USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1063 hydrogens (0 hets) HEADER CYTOKINE 16-AUG-94 2CYK TITLE ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 TITLE 2 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR TITLE 3 SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-4; 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 CYTOKINE EXPDTA SOLUTION NMR AUTHOR T.MUELLER,W.SEBALD,H.OSCHKINAT REVDAT 3 24-FEB-09 2CYK 1 VERSN REVDAT 2 01-APR-03 2CYK 1 JRNL REVDAT 1 20-DEC-94 2CYK 0 JRNL AUTH T.MULLER,T.DIECKMANN,W.SEBALD,H.OSCHKINAT JRNL TITL ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF JRNL TITL 2 INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED JRNL TITL 3 MUTAGENESIS AND NMR SPECTROSCOPY. JRNL REF J.MOL.BIOL. V. 237 423 1994 JRNL REFN ISSN 0022-2836 JRNL PMID 8151703 JRNL DOI 10.1006/JMBI.1994.1245 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2CYK 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HIS A 59 N LYS A 61 1.20 REMARK 500 O THR A 69 N GLN A 71 1.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 SER A 129 C SER A 129 O 0.115 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER A 107 CB - CA - C ANGL. DEV. = 13.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 GLN A 20 41.80 -146.23 REMARK 500 THR A 22 -75.81 -171.75 REMARK 500 GLU A 26 -41.66 82.49 REMARK 500 LEU A 27 139.81 -39.14 REMARK 500 SER A 36 54.59 20.28 REMARK 500 THR A 39 178.35 -50.63 REMARK 500 PHE A 55 -79.21 -64.30 REMARK 500 GLU A 60 -10.71 9.46 REMARK 500 LYS A 61 -120.09 -147.55 REMARK 500 ASP A 62 17.71 51.20 REMARK 500 THR A 63 -2.30 57.39 REMARK 500 CYS A 65 1.91 107.33 REMARK 500 ALA A 68 -41.45 79.40 REMARK 500 ALA A 70 -28.00 9.94 REMARK 500 ASN A 97 53.31 -154.49 REMARK 500 SER A 98 91.91 -163.26 REMARK 500 CYS A 99 84.74 -158.18 REMARK 500 PRO A 100 -114.34 -73.93 REMARK 500 VAL A 101 -112.34 155.90 REMARK 500 LYS A 102 39.19 126.45 REMARK 500 GLU A 122 -73.07 -38.07 REMARK 500 LYS A 126 20.13 -76.79 REMARK 500 SER A 128 -174.62 -61.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 121 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CYL RELATED DB: PDB DBREF 2CYK A 1 129 UNP P05112 IL4_HUMAN 25 153 SEQRES 1 A 129 HIS LYS CYS ASP ILE THR LEU GLN GLU ILE ILE LYS THR SEQRES 2 A 129 LEU ASN SER LEU THR GLU GLN LYS THR LEU CYS THR GLU SEQRES 3 A 129 LEU THR VAL THR ASP ILE PHE ALA ALA SER LYS ASN THR SEQRES 4 A 129 THR GLU LYS GLU THR PHE CYS ARG ALA ALA THR VAL LEU SEQRES 5 A 129 ARG GLN PHE TYR SER HIS HIS GLU LYS ASP THR ARG CYS SEQRES 6 A 129 LEU GLY ALA THR ALA GLN GLN PHE HIS ARG HIS LYS GLN SEQRES 7 A 129 LEU ILE ARG PHE LEU LYS ARG LEU ASP ARG ASN LEU TRP SEQRES 8 A 129 GLY LEU ALA GLY LEU ASN SER CYS PRO VAL LYS GLU ALA SEQRES 9 A 129 ASN GLN SER THR LEU GLU ASN PHE LEU GLU ARG LEU LYS SEQRES 10 A 129 THR ILE MET ARG GLU LYS TYR SER LYS CYS SER SER HELIX 1 A ILE A 5 GLU A 19 1 15 HELIX 2 B GLU A 41 HIS A 59 1 19 HELIX 3 C GLN A 71 ALA A 94 1 24 HELIX 4 D LEU A 109 SER A 125 1 17 SHEET 1 S1 2 VAL A 29 ASP A 31 0 SHEET 2 S1 2 GLN A 106 THR A 108 -1 SSBOND *** CYS A 3 CYS A 127 1555 1555 2.02 SSBOND *** CYS A 24 CYS A 65 1555 1555 2.04 SSBOND *** CYS A 46 CYS A 99 1555 1555 2.03 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 NoAdj-H: A 61 LYS H : A 61 LYS N : A 59 HIS O :(H bumps) USER MOD NoAdj-H: A 71 GLN H : A 71 GLN N : A 69 THR O :(H bumps) USER MOD Set 1.1: A 107 SER OG : rot 140:sc= 0.83 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.959 X(o=1.8,f=2.2) USER MOD Set 2.1: A 20 GLN : amide:sc= -0.412 K(o=-1.1,f=-4) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.656 K(o=-1.1,f=-3.5!) USER MOD Set 3.1: A 39 THR OG1 : rot -159:sc= 0.904 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.134 USER MOD Set 4.1: A 37 LYS NZ :NH3+ -124:sc= 0.754 (180deg=0) USER MOD Set 4.2: A 38 ASN : amide:sc= 0.0757 K(o=0.83,f=-15!) USER MOD Single : A 1 HIS : no HD1:sc= -0.585 K(o=-0.59,f=0.041) USER MOD Single : A 1 HIS N :NH3+ -103:sc= -0.161! (180deg=-3.93!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 8 GLN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.018) USER MOD Single : A 16 SER OG : rot 87:sc= 1.1 USER MOD Single : A 18 THR OG1 : rot 76:sc= 0.722 USER MOD Single : A 21 LYS NZ :NH3+ -109:sc= -3.65! (180deg=-6.95!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 53:sc= -0.689 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 36 SER OG : rot -51:sc= 0.00769 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -98:sc= 0.00593 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 150:sc= -0.411 USER MOD Single : A 57 SER OG : rot -25:sc= -0.125 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 59 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.63) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc=-0.00242 K(o=-0.0024,f=-1.4) USER MOD Single : A 74 HIS : no HE2:sc= 0.149 K(o=0.15,f=-1.1) USER MOD Single : A 76 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -5.36! C(o=-5.4!,f=-7.3!) USER MOD Single : A 97 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.2!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 117 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0902) USER MOD Single : A 118 THR OG1 : rot 178:sc= 0.282 USER MOD Single : A 120 MET CE :methyl -111:sc= -2.28 (180deg=-6.47!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 160:sc= -0.0337 (180deg=-0.371) USER MOD Single : A 128 SER OG : rot -92:sc= 0.329 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.220 -3.524 -27.796 1.00 4.92 N ATOM 2 CA HIS A 1 15.376 -3.183 -28.933 1.00 4.51 C ATOM 3 C HIS A 1 15.655 -1.769 -29.479 1.00 3.92 C ATOM 4 O HIS A 1 16.228 -1.631 -30.546 1.00 4.02 O ATOM 5 CB HIS A 1 13.867 -3.388 -28.711 1.00 5.06 C ATOM 6 CG HIS A 1 13.563 -4.865 -28.626 1.00 5.67 C ATOM 7 ND1 HIS A 1 12.915 -5.568 -29.583 1.00 6.13 N ATOM 8 CD2 HIS A 1 13.907 -5.749 -27.588 1.00 6.26 C ATOM 9 CE1 HIS A 1 12.868 -6.837 -29.145 1.00 6.86 C ATOM 10 NE2 HIS A 1 13.461 -6.972 -27.943 1.00 6.99 N ATOM 0 H1 HIS A 1 16.980 -4.162 -28.107 1.00 4.92 H new ATOM 0 H2 HIS A 1 16.636 -2.657 -27.400 1.00 4.92 H new ATOM 0 H3 HIS A 1 15.647 -3.997 -27.068 1.00 4.92 H new ATOM 0 HA HIS A 1 15.668 -3.912 -29.689 1.00 4.51 H new ATOM 0 HB2 HIS A 1 13.553 -2.889 -27.794 1.00 5.06 H new ATOM 0 HB3 HIS A 1 13.304 -2.937 -29.529 1.00 5.06 H new ATOM 0 HD2 HIS A 1 14.430 -5.496 -26.677 1.00 6.26 H new ATOM 0 HE1 HIS A 1 12.411 -7.650 -29.690 1.00 6.86 H new ATOM 0 HE2 HIS A 1 13.555 -7.833 -27.405 1.00 6.99 H new ATOM 20 N LYS A 2 15.265 -0.731 -28.705 1.00 3.71 N ATOM 21 CA LYS A 2 15.764 0.621 -28.980 1.00 3.32 C ATOM 22 C LYS A 2 15.586 1.482 -27.718 1.00 2.55 C ATOM 23 O LYS A 2 15.116 0.976 -26.700 1.00 2.54 O ATOM 24 CB LYS A 2 15.033 1.230 -30.193 1.00 3.79 C ATOM 25 CG LYS A 2 15.995 1.441 -31.365 1.00 4.29 C ATOM 26 CD LYS A 2 15.271 1.541 -32.703 1.00 4.87 C ATOM 27 CE LYS A 2 16.269 1.622 -33.863 1.00 5.53 C ATOM 28 NZ LYS A 2 15.740 0.970 -35.051 1.00 6.16 N ATOM 0 H LYS A 2 14.627 -0.805 -27.912 1.00 3.71 H new ATOM 0 HA LYS A 2 16.824 0.583 -29.232 1.00 3.32 H new ATOM 0 HB2 LYS A 2 14.220 0.572 -30.500 1.00 3.79 H new ATOM 0 HB3 LYS A 2 14.584 2.182 -29.911 1.00 3.79 H new ATOM 0 HG2 LYS A 2 16.572 2.351 -31.198 1.00 4.29 H new ATOM 0 HG3 LYS A 2 16.706 0.615 -31.401 1.00 4.29 H new ATOM 0 HD2 LYS A 2 14.623 0.674 -32.836 1.00 4.87 H new ATOM 0 HD3 LYS A 2 14.629 2.422 -32.708 1.00 4.87 H new ATOM 0 HE2 LYS A 2 16.491 2.666 -34.085 1.00 5.53 H new ATOM 0 HE3 LYS A 2 17.208 1.151 -33.573 1.00 5.53 H new ATOM 0 HZ1 LYS A 2 16.434 1.038 -35.823 1.00 6.16 H new ATOM 0 HZ2 LYS A 2 15.551 -0.031 -34.843 1.00 6.16 H new ATOM 0 HZ3 LYS A 2 14.856 1.436 -35.338 1.00 6.16 H new ATOM 42 N CYS A 3 16.037 2.750 -27.866 1.00 2.21 N ATOM 43 CA CYS A 3 15.928 3.792 -26.846 1.00 1.60 C ATOM 44 C CYS A 3 14.803 4.717 -27.298 1.00 1.46 C ATOM 45 O CYS A 3 14.632 4.965 -28.486 1.00 1.78 O ATOM 46 CB CYS A 3 17.193 4.682 -26.787 1.00 1.61 C ATOM 47 SG CYS A 3 18.519 4.167 -25.677 1.00 1.84 S ATOM 0 H CYS A 3 16.494 3.072 -28.719 1.00 2.21 H new ATOM 0 HA CYS A 3 15.772 3.317 -25.878 1.00 1.60 H new ATOM 0 HB2 CYS A 3 17.604 4.750 -27.794 1.00 1.61 H new ATOM 0 HB3 CYS A 3 16.885 5.687 -26.500 1.00 1.61 H new ATOM 52 N ASP A 4 14.099 5.247 -26.303 1.00 1.20 N ATOM 53 CA ASP A 4 12.985 6.145 -26.549 1.00 1.14 C ATOM 54 C ASP A 4 13.449 7.535 -26.122 1.00 1.03 C ATOM 55 O ASP A 4 14.413 7.667 -25.381 1.00 0.95 O ATOM 56 CB ASP A 4 11.769 5.738 -25.667 1.00 1.17 C ATOM 57 CG ASP A 4 11.487 4.221 -25.560 1.00 1.77 C ATOM 58 OD1 ASP A 4 12.300 3.478 -24.998 1.00 2.42 O ATOM 59 OD2 ASP A 4 10.437 3.783 -26.021 1.00 2.39 O ATOM 0 H ASP A 4 14.284 5.067 -25.316 1.00 1.20 H new ATOM 0 HA ASP A 4 12.686 6.113 -27.597 1.00 1.14 H new ATOM 0 HB2 ASP A 4 11.927 6.130 -24.662 1.00 1.17 H new ATOM 0 HB3 ASP A 4 10.878 6.226 -26.063 1.00 1.17 H new ATOM 64 N ILE A 5 12.752 8.593 -26.576 1.00 1.08 N ATOM 65 CA ILE A 5 13.215 9.929 -26.164 1.00 1.05 C ATOM 66 C ILE A 5 13.228 10.019 -24.603 1.00 0.96 C ATOM 67 O ILE A 5 14.145 10.539 -23.981 1.00 0.94 O ATOM 68 CB ILE A 5 12.278 11.023 -26.749 1.00 1.21 C ATOM 69 CG1 ILE A 5 11.789 10.787 -28.200 1.00 1.38 C ATOM 70 CG2 ILE A 5 12.886 12.428 -26.596 1.00 1.25 C ATOM 71 CD1 ILE A 5 12.817 11.053 -29.307 1.00 2.05 C ATOM 0 H ILE A 5 11.931 8.561 -27.180 1.00 1.08 H new ATOM 0 HA ILE A 5 14.224 10.091 -26.544 1.00 1.05 H new ATOM 0 HB ILE A 5 11.377 10.947 -26.140 1.00 1.21 H new ATOM 0 HG12 ILE A 5 11.452 9.754 -28.285 1.00 1.38 H new ATOM 0 HG13 ILE A 5 10.921 11.422 -28.378 1.00 1.38 H new ATOM 0 HG21 ILE A 5 12.204 13.167 -27.016 1.00 1.25 H new ATOM 0 HG22 ILE A 5 13.047 12.642 -25.539 1.00 1.25 H new ATOM 0 HG23 ILE A 5 13.838 12.472 -27.124 1.00 1.25 H new ATOM 0 HD11 ILE A 5 12.365 10.855 -30.279 1.00 2.05 H new ATOM 0 HD12 ILE A 5 13.139 12.093 -29.262 1.00 2.05 H new ATOM 0 HD13 ILE A 5 13.678 10.400 -29.168 1.00 2.05 H new ATOM 83 N THR A 6 12.160 9.427 -24.045 1.00 0.96 N ATOM 84 CA THR A 6 11.783 9.415 -22.636 1.00 0.95 C ATOM 85 C THR A 6 12.985 9.157 -21.679 1.00 0.81 C ATOM 86 O THR A 6 13.120 9.795 -20.629 1.00 0.83 O ATOM 87 CB THR A 6 10.715 8.313 -22.505 1.00 1.05 C ATOM 88 OG1 THR A 6 9.925 8.439 -23.677 1.00 1.34 O ATOM 89 CG2 THR A 6 9.846 8.459 -21.249 1.00 1.24 C ATOM 0 H THR A 6 11.493 8.908 -24.615 1.00 0.96 H new ATOM 0 HA THR A 6 11.406 10.393 -22.337 1.00 0.95 H new ATOM 0 HB THR A 6 11.183 7.334 -22.404 1.00 1.05 H new ATOM 0 HG1 THR A 6 9.216 7.762 -23.668 1.00 1.34 H new ATOM 0 HG21 THR A 6 9.114 7.652 -21.217 1.00 1.24 H new ATOM 0 HG22 THR A 6 10.478 8.412 -20.362 1.00 1.24 H new ATOM 0 HG23 THR A 6 9.328 9.418 -21.275 1.00 1.24 H new ATOM 97 N LEU A 7 13.835 8.169 -22.068 1.00 0.74 N ATOM 98 CA LEU A 7 14.936 7.816 -21.168 1.00 0.65 C ATOM 99 C LEU A 7 16.110 8.782 -21.303 1.00 0.63 C ATOM 100 O LEU A 7 16.820 9.085 -20.353 1.00 0.64 O ATOM 101 CB LEU A 7 15.378 6.338 -21.148 1.00 0.66 C ATOM 102 CG LEU A 7 15.471 5.564 -22.471 1.00 1.29 C ATOM 103 CD1 LEU A 7 16.296 4.284 -22.269 1.00 2.16 C ATOM 104 CD2 LEU A 7 14.096 5.163 -23.002 1.00 1.99 C ATOM 0 H LEU A 7 13.779 7.642 -22.939 1.00 0.74 H new ATOM 0 HA LEU A 7 14.499 7.937 -20.177 1.00 0.65 H new ATOM 0 HB2 LEU A 7 16.359 6.296 -20.674 1.00 0.66 H new ATOM 0 HB3 LEU A 7 14.687 5.798 -20.500 1.00 0.66 H new ATOM 0 HG LEU A 7 15.946 6.227 -23.194 1.00 1.29 H new ATOM 0 HD11 LEU A 7 16.359 3.739 -23.211 1.00 2.16 H new ATOM 0 HD12 LEU A 7 17.300 4.547 -21.935 1.00 2.16 H new ATOM 0 HD13 LEU A 7 15.816 3.657 -21.518 1.00 2.16 H new ATOM 0 HD21 LEU A 7 14.212 4.618 -23.939 1.00 1.99 H new ATOM 0 HD22 LEU A 7 13.595 4.527 -22.272 1.00 1.99 H new ATOM 0 HD23 LEU A 7 13.498 6.058 -23.175 1.00 1.99 H new ATOM 116 N GLN A 8 16.283 9.321 -22.509 1.00 0.65 N ATOM 117 CA GLN A 8 17.333 10.323 -22.706 1.00 0.72 C ATOM 118 C GLN A 8 17.028 11.563 -21.820 1.00 0.78 C ATOM 119 O GLN A 8 17.897 12.029 -21.086 1.00 0.84 O ATOM 120 CB GLN A 8 17.446 10.607 -24.222 1.00 0.83 C ATOM 121 CG GLN A 8 17.173 9.357 -25.115 1.00 1.37 C ATOM 122 CD GLN A 8 18.067 9.251 -26.362 1.00 1.86 C ATOM 123 OE1 GLN A 8 18.623 8.208 -26.697 1.00 2.55 O ATOM 124 NE2 GLN A 8 18.165 10.398 -27.035 1.00 2.14 N ATOM 0 H GLN A 8 15.733 9.093 -23.337 1.00 0.65 H new ATOM 0 HA GLN A 8 18.315 9.976 -22.384 1.00 0.72 H new ATOM 0 HB2 GLN A 8 16.741 11.394 -24.489 1.00 0.83 H new ATOM 0 HB3 GLN A 8 18.445 10.986 -24.438 1.00 0.83 H new ATOM 0 HG2 GLN A 8 17.307 8.460 -24.511 1.00 1.37 H new ATOM 0 HG3 GLN A 8 16.130 9.375 -25.432 1.00 1.37 H new ATOM 0 HE21 GLN A 8 17.676 11.229 -26.701 1.00 2.14 H new ATOM 0 HE22 GLN A 8 18.729 10.445 -27.884 1.00 2.14 H new ATOM 133 N GLU A 9 15.731 11.968 -21.872 1.00 0.82 N ATOM 134 CA GLU A 9 15.238 12.984 -20.932 1.00 0.94 C ATOM 135 C GLU A 9 15.550 12.596 -19.463 1.00 0.88 C ATOM 136 O GLU A 9 16.223 13.336 -18.742 1.00 0.94 O ATOM 137 CB GLU A 9 13.724 13.315 -21.078 1.00 1.06 C ATOM 138 CG GLU A 9 13.423 14.660 -21.792 1.00 1.22 C ATOM 139 CD GLU A 9 12.262 15.449 -21.134 1.00 1.33 C ATOM 140 OE1 GLU A 9 12.412 15.924 -20.009 1.00 1.79 O ATOM 141 OE2 GLU A 9 11.217 15.626 -21.733 1.00 1.71 O ATOM 0 H GLU A 9 15.038 11.616 -22.533 1.00 0.82 H new ATOM 0 HA GLU A 9 15.781 13.891 -21.198 1.00 0.94 H new ATOM 0 HB2 GLU A 9 13.241 12.509 -21.631 1.00 1.06 H new ATOM 0 HB3 GLU A 9 13.273 13.336 -20.086 1.00 1.06 H new ATOM 0 HG2 GLU A 9 14.322 15.276 -21.788 1.00 1.22 H new ATOM 0 HG3 GLU A 9 13.176 14.464 -22.835 1.00 1.22 H new ATOM 148 N ILE A 10 15.052 11.410 -19.039 1.00 0.79 N ATOM 149 CA ILE A 10 15.275 10.959 -17.657 1.00 0.77 C ATOM 150 C ILE A 10 16.749 11.164 -17.252 1.00 0.72 C ATOM 151 O ILE A 10 17.049 11.847 -16.284 1.00 0.81 O ATOM 152 CB ILE A 10 14.757 9.519 -17.410 1.00 0.76 C ATOM 153 CG1 ILE A 10 13.292 9.445 -16.939 1.00 1.16 C ATOM 154 CG2 ILE A 10 15.567 8.750 -16.361 1.00 1.02 C ATOM 155 CD1 ILE A 10 12.278 10.303 -17.683 1.00 1.10 C ATOM 0 H ILE A 10 14.510 10.770 -19.619 1.00 0.79 H new ATOM 0 HA ILE A 10 14.675 11.584 -16.996 1.00 0.77 H new ATOM 0 HB ILE A 10 14.862 9.069 -18.397 1.00 0.76 H new ATOM 0 HG12 ILE A 10 12.968 8.406 -17.004 1.00 1.16 H new ATOM 0 HG13 ILE A 10 13.261 9.723 -15.885 1.00 1.16 H new ATOM 0 HG21 ILE A 10 15.149 7.751 -16.239 1.00 1.02 H new ATOM 0 HG22 ILE A 10 16.604 8.672 -16.687 1.00 1.02 H new ATOM 0 HG23 ILE A 10 15.525 9.279 -15.409 1.00 1.02 H new ATOM 0 HD11 ILE A 10 11.289 10.155 -17.250 1.00 1.10 H new ATOM 0 HD12 ILE A 10 12.558 11.353 -17.598 1.00 1.10 H new ATOM 0 HD13 ILE A 10 12.260 10.016 -18.734 1.00 1.10 H new ATOM 167 N ILE A 11 17.642 10.551 -18.052 1.00 0.65 N ATOM 168 CA ILE A 11 19.074 10.586 -17.763 1.00 0.66 C ATOM 169 C ILE A 11 19.555 12.060 -17.671 1.00 0.67 C ATOM 170 O ILE A 11 20.375 12.382 -16.819 1.00 0.67 O ATOM 171 CB ILE A 11 19.816 9.687 -18.780 1.00 0.71 C ATOM 172 CG1 ILE A 11 19.395 8.211 -18.578 1.00 0.87 C ATOM 173 CG2 ILE A 11 21.342 9.820 -18.647 1.00 0.72 C ATOM 174 CD1 ILE A 11 19.976 7.216 -19.599 1.00 0.70 C ATOM 0 H ILE A 11 17.393 10.032 -18.894 1.00 0.65 H new ATOM 0 HA ILE A 11 19.308 10.164 -16.786 1.00 0.66 H new ATOM 0 HB ILE A 11 19.540 10.015 -19.782 1.00 0.71 H new ATOM 0 HG12 ILE A 11 19.696 7.898 -17.578 1.00 0.87 H new ATOM 0 HG13 ILE A 11 18.307 8.152 -18.616 1.00 0.87 H new ATOM 0 HG21 ILE A 11 21.829 9.174 -19.378 1.00 0.72 H new ATOM 0 HG22 ILE A 11 21.634 10.855 -18.826 1.00 0.72 H new ATOM 0 HG23 ILE A 11 21.647 9.526 -17.643 1.00 0.72 H new ATOM 0 HD11 ILE A 11 19.621 6.211 -19.370 1.00 0.70 H new ATOM 0 HD12 ILE A 11 19.654 7.495 -20.602 1.00 0.70 H new ATOM 0 HD13 ILE A 11 21.065 7.237 -19.548 1.00 0.70 H new ATOM 186 N LYS A 12 18.970 12.942 -18.523 1.00 0.72 N ATOM 187 CA LYS A 12 19.278 14.363 -18.320 1.00 0.75 C ATOM 188 C LYS A 12 18.847 14.884 -16.914 1.00 0.72 C ATOM 189 O LYS A 12 19.612 15.568 -16.249 1.00 0.71 O ATOM 190 CB LYS A 12 18.874 15.315 -19.469 1.00 0.82 C ATOM 191 CG LYS A 12 19.922 16.453 -19.582 1.00 1.01 C ATOM 192 CD LYS A 12 19.529 17.703 -20.389 1.00 1.70 C ATOM 193 CE LYS A 12 20.740 18.656 -20.554 1.00 2.29 C ATOM 194 NZ LYS A 12 20.432 20.061 -20.842 1.00 2.99 N ATOM 0 H LYS A 12 18.338 12.715 -19.290 1.00 0.72 H new ATOM 0 HA LYS A 12 20.367 14.389 -18.349 1.00 0.75 H new ATOM 0 HB2 LYS A 12 18.814 14.765 -20.408 1.00 0.82 H new ATOM 0 HB3 LYS A 12 17.885 15.733 -19.280 1.00 0.82 H new ATOM 0 HG2 LYS A 12 20.182 16.772 -18.573 1.00 1.01 H new ATOM 0 HG3 LYS A 12 20.825 16.036 -20.027 1.00 1.01 H new ATOM 0 HD2 LYS A 12 19.158 17.406 -21.370 1.00 1.70 H new ATOM 0 HD3 LYS A 12 18.716 18.225 -19.885 1.00 1.70 H new ATOM 0 HE2 LYS A 12 21.332 18.617 -19.640 1.00 2.29 H new ATOM 0 HE3 LYS A 12 21.369 18.273 -21.358 1.00 2.29 H new ATOM 0 HZ1 LYS A 12 21.317 20.599 -20.931 1.00 2.99 H new ATOM 0 HZ2 LYS A 12 19.898 20.124 -21.732 1.00 2.99 H new ATOM 0 HZ3 LYS A 12 19.862 20.457 -20.067 1.00 2.99 H new ATOM 208 N THR A 13 17.623 14.549 -16.453 1.00 0.71 N ATOM 209 CA THR A 13 17.167 15.015 -15.133 1.00 0.71 C ATOM 210 C THR A 13 18.008 14.468 -13.954 1.00 0.70 C ATOM 211 O THR A 13 18.339 15.199 -13.044 1.00 0.73 O ATOM 212 CB THR A 13 15.685 14.649 -14.951 1.00 0.76 C ATOM 213 OG1 THR A 13 14.987 14.974 -16.139 1.00 0.81 O ATOM 214 CG2 THR A 13 15.035 15.289 -13.711 1.00 0.78 C ATOM 0 H THR A 13 16.952 13.974 -16.961 1.00 0.71 H new ATOM 0 HA THR A 13 17.299 16.097 -15.113 1.00 0.71 H new ATOM 0 HB THR A 13 15.626 13.576 -14.766 1.00 0.76 H new ATOM 0 HG1 THR A 13 14.040 14.743 -16.036 1.00 0.81 H new ATOM 0 HG21 THR A 13 13.990 14.985 -13.650 1.00 0.78 H new ATOM 0 HG22 THR A 13 15.561 14.962 -12.814 1.00 0.78 H new ATOM 0 HG23 THR A 13 15.093 16.375 -13.789 1.00 0.78 H new ATOM 222 N LEU A 14 18.323 13.168 -14.033 1.00 0.71 N ATOM 223 CA LEU A 14 19.133 12.493 -13.017 1.00 0.76 C ATOM 224 C LEU A 14 20.483 13.167 -12.918 1.00 0.77 C ATOM 225 O LEU A 14 20.915 13.594 -11.857 1.00 0.84 O ATOM 226 CB LEU A 14 19.319 11.032 -13.454 1.00 0.86 C ATOM 227 CG LEU A 14 18.159 10.104 -13.073 1.00 0.74 C ATOM 228 CD1 LEU A 14 16.768 10.732 -13.160 1.00 1.57 C ATOM 229 CD2 LEU A 14 18.199 8.844 -13.928 1.00 0.71 C ATOM 0 H LEU A 14 18.025 12.561 -14.797 1.00 0.71 H new ATOM 0 HA LEU A 14 18.642 12.540 -12.045 1.00 0.76 H new ATOM 0 HB2 LEU A 14 19.451 11.003 -14.536 1.00 0.86 H new ATOM 0 HB3 LEU A 14 20.237 10.647 -13.010 1.00 0.86 H new ATOM 0 HG LEU A 14 18.314 9.874 -12.019 1.00 0.74 H new ATOM 0 HD11 LEU A 14 16.018 9.996 -12.871 1.00 1.57 H new ATOM 0 HD12 LEU A 14 16.713 11.589 -12.489 1.00 1.57 H new ATOM 0 HD13 LEU A 14 16.580 11.060 -14.182 1.00 1.57 H new ATOM 0 HD21 LEU A 14 17.372 8.190 -13.651 1.00 0.71 H new ATOM 0 HD22 LEU A 14 18.111 9.115 -14.980 1.00 0.71 H new ATOM 0 HD23 LEU A 14 19.143 8.324 -13.765 1.00 0.71 H new ATOM 241 N ASN A 15 21.061 13.271 -14.131 1.00 0.76 N ATOM 242 CA ASN A 15 22.294 14.012 -14.363 1.00 0.82 C ATOM 243 C ASN A 15 22.212 15.375 -13.619 1.00 0.81 C ATOM 244 O ASN A 15 22.940 15.610 -12.675 1.00 0.90 O ATOM 245 CB ASN A 15 22.517 14.160 -15.884 1.00 0.86 C ATOM 246 CG ASN A 15 23.459 15.288 -16.311 1.00 1.32 C ATOM 247 OD1 ASN A 15 23.079 16.184 -17.049 1.00 2.13 O ATOM 248 ND2 ASN A 15 24.690 15.215 -15.816 1.00 1.62 N ATOM 0 H ASN A 15 20.677 12.839 -14.972 1.00 0.76 H new ATOM 0 HA ASN A 15 23.159 13.481 -13.965 1.00 0.82 H new ATOM 0 HB2 ASN A 15 22.910 13.219 -16.268 1.00 0.86 H new ATOM 0 HB3 ASN A 15 21.550 14.320 -16.360 1.00 0.86 H new ATOM 0 HD21 ASN A 15 25.376 15.933 -16.048 1.00 1.62 H new ATOM 0 HD22 ASN A 15 24.948 14.441 -15.204 1.00 1.62 H new ATOM 255 N SER A 16 21.276 16.243 -14.022 1.00 0.74 N ATOM 256 CA SER A 16 21.277 17.608 -13.494 1.00 0.78 C ATOM 257 C SER A 16 20.908 17.690 -11.995 1.00 0.80 C ATOM 258 O SER A 16 20.904 18.771 -11.427 1.00 0.90 O ATOM 259 CB SER A 16 20.365 18.457 -14.385 1.00 0.79 C ATOM 260 OG SER A 16 20.407 17.974 -15.719 1.00 1.57 O ATOM 0 H SER A 16 20.533 16.033 -14.689 1.00 0.74 H new ATOM 0 HA SER A 16 22.292 18.004 -13.527 1.00 0.78 H new ATOM 0 HB2 SER A 16 19.342 18.424 -14.009 1.00 0.79 H new ATOM 0 HB3 SER A 16 20.682 19.499 -14.356 1.00 0.79 H new ATOM 0 HG SER A 16 19.744 17.260 -15.830 1.00 1.57 H new ATOM 266 N LEU A 17 20.608 16.544 -11.356 1.00 0.76 N ATOM 267 CA LEU A 17 20.578 16.514 -9.893 1.00 0.86 C ATOM 268 C LEU A 17 21.934 16.093 -9.325 1.00 0.89 C ATOM 269 O LEU A 17 22.432 16.701 -8.391 1.00 0.97 O ATOM 270 CB LEU A 17 19.409 15.669 -9.370 1.00 0.93 C ATOM 271 CG LEU A 17 18.023 16.130 -9.871 1.00 1.11 C ATOM 272 CD1 LEU A 17 16.905 15.380 -9.143 1.00 1.21 C ATOM 273 CD2 LEU A 17 17.795 17.646 -9.771 1.00 0.97 C ATOM 0 H LEU A 17 20.391 15.659 -11.815 1.00 0.76 H new ATOM 0 HA LEU A 17 20.395 17.526 -9.532 1.00 0.86 H new ATOM 0 HB2 LEU A 17 19.564 14.632 -9.666 1.00 0.93 H new ATOM 0 HB3 LEU A 17 19.416 15.694 -8.280 1.00 0.93 H new ATOM 0 HG LEU A 17 18.000 15.887 -10.933 1.00 1.11 H new ATOM 0 HD11 LEU A 17 15.938 15.721 -9.512 1.00 1.21 H new ATOM 0 HD12 LEU A 17 17.006 14.310 -9.325 1.00 1.21 H new ATOM 0 HD13 LEU A 17 16.974 15.574 -8.073 1.00 1.21 H new ATOM 0 HD21 LEU A 17 16.799 17.889 -10.142 1.00 0.97 H new ATOM 0 HD22 LEU A 17 17.881 17.959 -8.730 1.00 0.97 H new ATOM 0 HD23 LEU A 17 18.543 18.167 -10.370 1.00 0.97 H new ATOM 285 N THR A 18 22.528 15.076 -9.975 1.00 0.90 N ATOM 286 CA THR A 18 23.841 14.567 -9.577 1.00 1.00 C ATOM 287 C THR A 18 24.883 15.712 -9.497 1.00 1.04 C ATOM 288 O THR A 18 25.743 15.737 -8.629 1.00 1.09 O ATOM 289 CB THR A 18 24.300 13.496 -10.580 1.00 1.08 C ATOM 290 OG1 THR A 18 23.208 12.716 -11.041 1.00 1.60 O ATOM 291 CG2 THR A 18 25.376 12.582 -9.971 1.00 1.82 C ATOM 0 H THR A 18 22.116 14.596 -10.775 1.00 0.90 H new ATOM 0 HA THR A 18 23.757 14.124 -8.585 1.00 1.00 H new ATOM 0 HB THR A 18 24.733 14.022 -11.431 1.00 1.08 H new ATOM 0 HG1 THR A 18 22.690 13.232 -11.694 1.00 1.60 H new ATOM 0 HG21 THR A 18 25.678 11.836 -10.706 1.00 1.82 H new ATOM 0 HG22 THR A 18 26.241 13.180 -9.683 1.00 1.82 H new ATOM 0 HG23 THR A 18 24.972 12.081 -9.091 1.00 1.82 H new ATOM 299 N GLU A 19 24.754 16.659 -10.445 1.00 1.07 N ATOM 300 CA GLU A 19 25.658 17.813 -10.468 1.00 1.19 C ATOM 301 C GLU A 19 25.315 18.932 -9.459 1.00 1.21 C ATOM 302 O GLU A 19 25.963 19.978 -9.461 1.00 1.33 O ATOM 303 CB GLU A 19 25.735 18.346 -11.898 1.00 1.26 C ATOM 304 CG GLU A 19 26.712 17.522 -12.746 1.00 1.56 C ATOM 305 CD GLU A 19 26.565 17.937 -14.205 1.00 1.83 C ATOM 306 OE1 GLU A 19 25.516 17.643 -14.790 1.00 2.34 O ATOM 307 OE2 GLU A 19 27.488 18.553 -14.728 1.00 2.30 O ATOM 0 H GLU A 19 24.051 16.647 -11.184 1.00 1.07 H new ATOM 0 HA GLU A 19 26.634 17.459 -10.137 1.00 1.19 H new ATOM 0 HB2 GLU A 19 24.744 18.320 -12.352 1.00 1.26 H new ATOM 0 HB3 GLU A 19 26.052 19.389 -11.884 1.00 1.26 H new ATOM 0 HG2 GLU A 19 27.735 17.685 -12.408 1.00 1.56 H new ATOM 0 HG3 GLU A 19 26.505 16.458 -12.633 1.00 1.56 H new ATOM 314 N GLN A 20 24.263 18.711 -8.666 1.00 1.15 N ATOM 315 CA GLN A 20 23.797 19.724 -7.730 1.00 1.24 C ATOM 316 C GLN A 20 23.246 19.046 -6.467 1.00 1.19 C ATOM 317 O GLN A 20 22.209 19.413 -5.912 1.00 1.34 O ATOM 318 CB GLN A 20 22.774 20.661 -8.406 1.00 1.56 C ATOM 319 CG GLN A 20 23.361 21.354 -9.653 1.00 1.85 C ATOM 320 CD GLN A 20 22.509 22.515 -10.156 1.00 2.24 C ATOM 321 OE1 GLN A 20 21.373 22.713 -9.747 1.00 2.54 O ATOM 322 NE2 GLN A 20 23.135 23.317 -11.016 1.00 2.68 N ATOM 0 H GLN A 20 23.725 17.845 -8.657 1.00 1.15 H new ATOM 0 HA GLN A 20 24.631 20.354 -7.423 1.00 1.24 H new ATOM 0 HB2 GLN A 20 21.891 20.089 -8.691 1.00 1.56 H new ATOM 0 HB3 GLN A 20 22.447 21.416 -7.692 1.00 1.56 H new ATOM 0 HG2 GLN A 20 24.361 21.721 -9.420 1.00 1.85 H new ATOM 0 HG3 GLN A 20 23.469 20.619 -10.451 1.00 1.85 H new ATOM 0 HE21 GLN A 20 24.084 23.098 -11.320 1.00 2.68 H new ATOM 0 HE22 GLN A 20 22.666 24.150 -11.370 1.00 2.68 H new ATOM 331 N LYS A 21 24.031 18.031 -6.095 1.00 1.18 N ATOM 332 CA LYS A 21 23.737 17.150 -4.991 1.00 1.39 C ATOM 333 C LYS A 21 24.772 17.419 -3.868 1.00 1.72 C ATOM 334 O LYS A 21 25.965 17.388 -4.129 1.00 2.14 O ATOM 335 CB LYS A 21 23.879 15.702 -5.548 1.00 1.31 C ATOM 336 CG LYS A 21 22.563 14.917 -5.808 1.00 1.94 C ATOM 337 CD LYS A 21 22.819 13.415 -6.074 1.00 2.56 C ATOM 338 CE LYS A 21 22.050 12.431 -5.188 1.00 3.49 C ATOM 339 NZ LYS A 21 20.592 12.531 -5.226 1.00 4.20 N ATOM 0 H LYS A 21 24.904 17.805 -6.571 1.00 1.18 H new ATOM 0 HA LYS A 21 22.740 17.301 -4.578 1.00 1.39 H new ATOM 0 HB2 LYS A 21 24.435 15.752 -6.484 1.00 1.31 H new ATOM 0 HB3 LYS A 21 24.485 15.127 -4.848 1.00 1.31 H new ATOM 0 HG2 LYS A 21 21.903 15.024 -4.948 1.00 1.94 H new ATOM 0 HG3 LYS A 21 22.046 15.352 -6.663 1.00 1.94 H new ATOM 0 HD2 LYS A 21 22.572 13.204 -7.115 1.00 2.56 H new ATOM 0 HD3 LYS A 21 23.885 13.223 -5.954 1.00 2.56 H new ATOM 0 HE2 LYS A 21 22.331 11.418 -5.477 1.00 3.49 H new ATOM 0 HE3 LYS A 21 22.376 12.571 -4.157 1.00 3.49 H new ATOM 0 HZ1 LYS A 21 20.248 12.925 -4.327 1.00 4.20 H new ATOM 0 HZ2 LYS A 21 20.307 13.153 -6.009 1.00 4.20 H new ATOM 0 HZ3 LYS A 21 20.183 11.586 -5.369 1.00 4.20 H new ATOM 353 N THR A 22 24.280 17.734 -2.648 1.00 1.87 N ATOM 354 CA THR A 22 25.161 18.265 -1.603 1.00 2.31 C ATOM 355 C THR A 22 24.376 18.335 -0.265 1.00 2.08 C ATOM 356 O THR A 22 24.561 17.515 0.623 1.00 2.49 O ATOM 357 CB THR A 22 25.808 19.606 -2.083 1.00 2.92 C ATOM 358 OG1 THR A 22 26.243 20.456 -1.036 1.00 3.65 O ATOM 359 CG2 THR A 22 24.905 20.526 -2.929 1.00 2.98 C ATOM 0 H THR A 22 23.303 17.631 -2.375 1.00 1.87 H new ATOM 0 HA THR A 22 26.007 17.605 -1.410 1.00 2.31 H new ATOM 0 HB THR A 22 26.631 19.203 -2.674 1.00 2.92 H new ATOM 0 HG1 THR A 22 26.636 21.269 -1.417 1.00 3.65 H new ATOM 0 HG21 THR A 22 25.457 21.424 -3.205 1.00 2.98 H new ATOM 0 HG22 THR A 22 24.593 20.000 -3.831 1.00 2.98 H new ATOM 0 HG23 THR A 22 24.025 20.805 -2.350 1.00 2.98 H new ATOM 367 N LEU A 23 23.490 19.339 -0.148 1.00 2.08 N ATOM 368 CA LEU A 23 22.873 19.612 1.155 1.00 2.58 C ATOM 369 C LEU A 23 21.714 18.657 1.499 1.00 2.06 C ATOM 370 O LEU A 23 21.442 18.394 2.663 1.00 2.41 O ATOM 371 CB LEU A 23 22.336 21.062 1.146 1.00 3.35 C ATOM 372 CG LEU A 23 22.530 21.766 2.498 1.00 4.12 C ATOM 373 CD1 LEU A 23 23.952 22.341 2.617 1.00 4.79 C ATOM 374 CD2 LEU A 23 21.476 22.860 2.720 1.00 4.71 C ATOM 0 H LEU A 23 23.196 19.952 -0.909 1.00 2.08 H new ATOM 0 HA LEU A 23 23.641 19.463 1.914 1.00 2.58 H new ATOM 0 HB2 LEU A 23 22.845 21.630 0.367 1.00 3.35 H new ATOM 0 HB3 LEU A 23 21.276 21.053 0.893 1.00 3.35 H new ATOM 0 HG LEU A 23 22.397 21.019 3.280 1.00 4.12 H new ATOM 0 HD11 LEU A 23 24.065 22.834 3.582 1.00 4.79 H new ATOM 0 HD12 LEU A 23 24.679 21.533 2.535 1.00 4.79 H new ATOM 0 HD13 LEU A 23 24.120 23.063 1.818 1.00 4.79 H new ATOM 0 HD21 LEU A 23 21.644 23.336 3.686 1.00 4.71 H new ATOM 0 HD22 LEU A 23 21.554 23.606 1.929 1.00 4.71 H new ATOM 0 HD23 LEU A 23 20.481 22.415 2.703 1.00 4.71 H new ATOM 386 N CYS A 24 21.000 18.266 0.425 1.00 1.60 N ATOM 387 CA CYS A 24 19.768 17.478 0.544 1.00 1.54 C ATOM 388 C CYS A 24 19.966 16.142 -0.159 1.00 1.52 C ATOM 389 O CYS A 24 19.024 15.466 -0.567 1.00 2.01 O ATOM 390 CB CYS A 24 18.603 18.178 -0.181 1.00 1.90 C ATOM 391 SG CYS A 24 18.401 19.915 0.256 1.00 2.36 S ATOM 0 H CYS A 24 21.261 18.487 -0.536 1.00 1.60 H new ATOM 0 HA CYS A 24 19.545 17.359 1.604 1.00 1.54 H new ATOM 0 HB2 CYS A 24 18.760 18.101 -1.257 1.00 1.90 H new ATOM 0 HB3 CYS A 24 17.678 17.648 0.045 1.00 1.90 H new ATOM 396 N THR A 25 21.253 15.817 -0.262 1.00 1.48 N ATOM 397 CA THR A 25 21.599 14.453 -0.539 1.00 1.59 C ATOM 398 C THR A 25 21.639 13.741 0.806 1.00 1.71 C ATOM 399 O THR A 25 21.400 14.345 1.846 1.00 2.06 O ATOM 400 CB THR A 25 22.928 14.497 -1.291 1.00 1.98 C ATOM 401 OG1 THR A 25 23.681 15.653 -0.976 1.00 2.54 O ATOM 402 CG2 THR A 25 22.602 14.732 -2.742 1.00 2.32 C ATOM 0 H THR A 25 22.036 16.462 -0.160 1.00 1.48 H new ATOM 0 HA THR A 25 20.896 13.904 -1.166 1.00 1.59 H new ATOM 0 HB THR A 25 23.466 13.580 -1.049 1.00 1.98 H new ATOM 0 HG1 THR A 25 23.780 15.724 -0.004 1.00 2.54 H new ATOM 0 HG21 THR A 25 23.525 14.771 -3.321 1.00 2.32 H new ATOM 0 HG22 THR A 25 21.977 13.919 -3.111 1.00 2.32 H new ATOM 0 HG23 THR A 25 22.068 15.676 -2.847 1.00 2.32 H new ATOM 410 N GLU A 26 21.906 12.434 0.687 1.00 1.99 N ATOM 411 CA GLU A 26 22.029 11.518 1.807 1.00 2.24 C ATOM 412 C GLU A 26 20.656 11.000 2.318 1.00 1.74 C ATOM 413 O GLU A 26 20.508 9.806 2.568 1.00 2.07 O ATOM 414 CB GLU A 26 22.890 12.072 2.945 1.00 2.82 C ATOM 415 CG GLU A 26 23.491 10.938 3.788 1.00 3.29 C ATOM 416 CD GLU A 26 24.226 11.500 5.006 1.00 3.92 C ATOM 417 OE1 GLU A 26 24.869 12.543 4.877 1.00 4.24 O ATOM 418 OE2 GLU A 26 24.129 10.892 6.067 1.00 4.46 O ATOM 0 H GLU A 26 22.044 11.982 -0.217 1.00 1.99 H new ATOM 0 HA GLU A 26 22.562 10.653 1.412 1.00 2.24 H new ATOM 0 HB2 GLU A 26 23.691 12.686 2.533 1.00 2.82 H new ATOM 0 HB3 GLU A 26 22.286 12.720 3.580 1.00 2.82 H new ATOM 0 HG2 GLU A 26 22.700 10.262 4.114 1.00 3.29 H new ATOM 0 HG3 GLU A 26 24.180 10.352 3.180 1.00 3.29 H new ATOM 425 N LEU A 27 19.667 11.924 2.391 1.00 1.24 N ATOM 426 CA LEU A 27 18.387 11.627 3.060 1.00 0.97 C ATOM 427 C LEU A 27 17.824 10.187 2.829 1.00 1.00 C ATOM 428 O LEU A 27 17.915 9.618 1.743 1.00 1.88 O ATOM 429 CB LEU A 27 17.315 12.680 2.738 1.00 0.92 C ATOM 430 CG LEU A 27 17.717 14.145 3.007 1.00 1.12 C ATOM 431 CD1 LEU A 27 16.474 15.048 3.034 1.00 1.93 C ATOM 432 CD2 LEU A 27 18.522 14.344 4.301 1.00 1.55 C ATOM 0 H LEU A 27 19.733 12.864 2.001 1.00 1.24 H new ATOM 0 HA LEU A 27 18.635 11.672 4.120 1.00 0.97 H new ATOM 0 HB2 LEU A 27 17.041 12.584 1.687 1.00 0.92 H new ATOM 0 HB3 LEU A 27 16.423 12.454 3.322 1.00 0.92 H new ATOM 0 HG LEU A 27 18.373 14.425 2.183 1.00 1.12 H new ATOM 0 HD11 LEU A 27 16.776 16.078 3.225 1.00 1.93 H new ATOM 0 HD12 LEU A 27 15.963 14.992 2.073 1.00 1.93 H new ATOM 0 HD13 LEU A 27 15.800 14.716 3.823 1.00 1.93 H new ATOM 0 HD21 LEU A 27 18.766 15.400 4.419 1.00 1.55 H new ATOM 0 HD22 LEU A 27 17.929 14.011 5.153 1.00 1.55 H new ATOM 0 HD23 LEU A 27 19.442 13.762 4.250 1.00 1.55 H new ATOM 444 N THR A 28 17.281 9.636 3.927 1.00 0.89 N ATOM 445 CA THR A 28 16.957 8.223 3.932 1.00 0.80 C ATOM 446 C THR A 28 15.716 7.896 3.055 1.00 0.78 C ATOM 447 O THR A 28 14.623 8.418 3.235 1.00 0.92 O ATOM 448 CB THR A 28 16.771 7.726 5.382 1.00 0.96 C ATOM 449 OG1 THR A 28 16.147 8.714 6.212 1.00 1.26 O ATOM 450 CG2 THR A 28 18.116 7.334 6.014 1.00 1.22 C ATOM 0 H THR A 28 17.067 10.137 4.789 1.00 0.89 H new ATOM 0 HA THR A 28 17.795 7.690 3.484 1.00 0.80 H new ATOM 0 HB THR A 28 16.123 6.851 5.323 1.00 0.96 H new ATOM 0 HG1 THR A 28 16.045 8.361 7.121 1.00 1.26 H new ATOM 0 HG21 THR A 28 17.951 6.988 7.035 1.00 1.22 H new ATOM 0 HG22 THR A 28 18.574 6.536 5.430 1.00 1.22 H new ATOM 0 HG23 THR A 28 18.778 8.200 6.026 1.00 1.22 H new ATOM 458 N VAL A 29 15.905 6.968 2.094 1.00 0.72 N ATOM 459 CA VAL A 29 14.798 6.476 1.264 1.00 0.74 C ATOM 460 C VAL A 29 14.800 4.936 1.268 1.00 0.78 C ATOM 461 O VAL A 29 15.767 4.276 1.616 1.00 0.92 O ATOM 462 CB VAL A 29 14.882 6.992 -0.201 1.00 0.73 C ATOM 463 CG1 VAL A 29 13.729 7.947 -0.532 1.00 1.16 C ATOM 464 CG2 VAL A 29 16.222 7.652 -0.522 1.00 0.92 C ATOM 0 H VAL A 29 16.810 6.550 1.878 1.00 0.72 H new ATOM 0 HA VAL A 29 13.871 6.858 1.692 1.00 0.74 H new ATOM 0 HB VAL A 29 14.795 6.107 -0.832 1.00 0.73 H new ATOM 0 HG11 VAL A 29 13.822 8.286 -1.564 1.00 1.16 H new ATOM 0 HG12 VAL A 29 12.779 7.428 -0.405 1.00 1.16 H new ATOM 0 HG13 VAL A 29 13.765 8.807 0.137 1.00 1.16 H new ATOM 0 HG21 VAL A 29 16.221 7.992 -1.558 1.00 0.92 H new ATOM 0 HG22 VAL A 29 16.375 8.505 0.140 1.00 0.92 H new ATOM 0 HG23 VAL A 29 17.027 6.931 -0.377 1.00 0.92 H new ATOM 474 N THR A 30 13.642 4.434 0.815 1.00 0.79 N ATOM 475 CA THR A 30 13.396 3.002 0.708 1.00 0.85 C ATOM 476 C THR A 30 14.425 2.295 -0.208 1.00 0.88 C ATOM 477 O THR A 30 14.548 2.633 -1.378 1.00 0.93 O ATOM 478 CB THR A 30 11.939 2.869 0.244 1.00 0.89 C ATOM 479 OG1 THR A 30 11.183 3.803 1.004 1.00 1.01 O ATOM 480 CG2 THR A 30 11.382 1.435 0.320 1.00 1.12 C ATOM 0 H THR A 30 12.857 5.013 0.515 1.00 0.79 H new ATOM 0 HA THR A 30 13.531 2.491 1.661 1.00 0.85 H new ATOM 0 HB THR A 30 11.872 3.094 -0.820 1.00 0.89 H new ATOM 0 HG1 THR A 30 10.241 3.754 0.739 1.00 1.01 H new ATOM 0 HG21 THR A 30 10.348 1.427 -0.025 1.00 1.12 H new ATOM 0 HG22 THR A 30 11.980 0.778 -0.312 1.00 1.12 H new ATOM 0 HG23 THR A 30 11.423 1.083 1.351 1.00 1.12 H new ATOM 488 N ASP A 31 15.150 1.293 0.333 1.00 1.03 N ATOM 489 CA ASP A 31 16.240 0.641 -0.412 1.00 1.14 C ATOM 490 C ASP A 31 15.688 -0.405 -1.421 1.00 1.05 C ATOM 491 O ASP A 31 15.807 -1.608 -1.236 1.00 1.55 O ATOM 492 CB ASP A 31 17.190 -0.049 0.577 1.00 1.43 C ATOM 493 CG ASP A 31 18.387 -0.769 -0.072 1.00 1.74 C ATOM 494 OD1 ASP A 31 18.388 -1.037 -1.270 1.00 2.15 O ATOM 495 OD2 ASP A 31 19.324 -1.056 0.646 1.00 2.37 O ATOM 0 H ASP A 31 15.001 0.924 1.272 1.00 1.03 H new ATOM 0 HA ASP A 31 16.776 1.405 -0.975 1.00 1.14 H new ATOM 0 HB2 ASP A 31 17.568 0.697 1.276 1.00 1.43 H new ATOM 0 HB3 ASP A 31 16.621 -0.773 1.160 1.00 1.43 H new ATOM 500 N ILE A 32 15.063 0.062 -2.506 1.00 0.81 N ATOM 501 CA ILE A 32 14.408 -0.885 -3.414 1.00 0.79 C ATOM 502 C ILE A 32 15.363 -1.734 -4.304 1.00 0.79 C ATOM 503 O ILE A 32 14.948 -2.283 -5.330 1.00 1.32 O ATOM 504 CB ILE A 32 13.383 -0.116 -4.262 1.00 0.84 C ATOM 505 CG1 ILE A 32 14.042 0.836 -5.280 1.00 0.84 C ATOM 506 CG2 ILE A 32 12.374 0.612 -3.361 1.00 1.24 C ATOM 507 CD1 ILE A 32 14.197 0.200 -6.674 1.00 0.80 C ATOM 0 H ILE A 32 14.996 1.045 -2.770 1.00 0.81 H new ATOM 0 HA ILE A 32 13.920 -1.632 -2.788 1.00 0.79 H new ATOM 0 HB ILE A 32 12.839 -0.850 -4.856 1.00 0.84 H new ATOM 0 HG12 ILE A 32 13.443 1.743 -5.363 1.00 0.84 H new ATOM 0 HG13 ILE A 32 15.023 1.134 -4.910 1.00 0.84 H new ATOM 0 HG21 ILE A 32 11.656 1.151 -3.980 1.00 1.24 H new ATOM 0 HG22 ILE A 32 11.847 -0.115 -2.743 1.00 1.24 H new ATOM 0 HG23 ILE A 32 12.902 1.318 -2.720 1.00 1.24 H new ATOM 0 HD11 ILE A 32 14.666 0.915 -7.350 1.00 0.80 H new ATOM 0 HD12 ILE A 32 14.819 -0.692 -6.600 1.00 0.80 H new ATOM 0 HD13 ILE A 32 13.215 -0.074 -7.060 1.00 0.80 H new ATOM 519 N PHE A 33 16.631 -1.806 -3.862 1.00 0.81 N ATOM 520 CA PHE A 33 17.666 -2.475 -4.626 1.00 0.84 C ATOM 521 C PHE A 33 18.236 -3.710 -3.910 1.00 1.04 C ATOM 522 O PHE A 33 18.887 -4.557 -4.527 1.00 1.19 O ATOM 523 CB PHE A 33 18.706 -1.447 -5.056 1.00 0.80 C ATOM 524 CG PHE A 33 18.074 -0.357 -5.894 1.00 0.68 C ATOM 525 CD1 PHE A 33 17.604 -0.608 -7.184 1.00 1.35 C ATOM 526 CD2 PHE A 33 17.989 0.940 -5.397 1.00 1.38 C ATOM 527 CE1 PHE A 33 17.080 0.419 -7.964 1.00 1.31 C ATOM 528 CE2 PHE A 33 17.488 1.969 -6.179 1.00 1.39 C ATOM 529 CZ PHE A 33 17.038 1.713 -7.462 1.00 0.62 C ATOM 0 H PHE A 33 16.950 -1.406 -2.980 1.00 0.81 H new ATOM 0 HA PHE A 33 17.233 -2.899 -5.532 1.00 0.84 H new ATOM 0 HB2 PHE A 33 19.175 -1.008 -4.175 1.00 0.80 H new ATOM 0 HB3 PHE A 33 19.495 -1.938 -5.626 1.00 0.80 H new ATOM 0 HD1 PHE A 33 17.647 -1.611 -7.582 1.00 1.35 H new ATOM 0 HD2 PHE A 33 18.318 1.147 -4.389 1.00 1.38 H new ATOM 0 HE1 PHE A 33 16.707 0.210 -8.956 1.00 1.31 H new ATOM 0 HE2 PHE A 33 17.449 2.974 -5.785 1.00 1.39 H new ATOM 0 HZ PHE A 33 16.655 2.518 -8.072 1.00 0.62 H new ATOM 539 N ALA A 34 17.943 -3.792 -2.604 1.00 1.31 N ATOM 540 CA ALA A 34 18.553 -4.839 -1.798 1.00 1.56 C ATOM 541 C ALA A 34 17.654 -6.039 -1.477 1.00 1.81 C ATOM 542 O ALA A 34 17.894 -6.693 -0.470 1.00 2.30 O ATOM 543 CB ALA A 34 19.049 -4.184 -0.499 1.00 2.12 C ATOM 0 H ALA A 34 17.310 -3.167 -2.105 1.00 1.31 H new ATOM 0 HA ALA A 34 19.361 -5.269 -2.390 1.00 1.56 H new ATOM 0 HB1 ALA A 34 19.514 -4.939 0.135 1.00 2.12 H new ATOM 0 HB2 ALA A 34 19.779 -3.410 -0.737 1.00 2.12 H new ATOM 0 HB3 ALA A 34 18.206 -3.737 0.028 1.00 2.12 H new ATOM 549 N ALA A 35 16.681 -6.369 -2.336 1.00 1.89 N ATOM 550 CA ALA A 35 15.962 -7.634 -2.126 1.00 2.64 C ATOM 551 C ALA A 35 15.650 -8.200 -3.491 1.00 2.67 C ATOM 552 O ALA A 35 14.751 -7.712 -4.178 1.00 2.86 O ATOM 553 CB ALA A 35 14.652 -7.379 -1.367 1.00 3.13 C ATOM 0 H ALA A 35 16.384 -5.815 -3.139 1.00 1.89 H new ATOM 0 HA ALA A 35 16.568 -8.325 -1.540 1.00 2.64 H new ATOM 0 HB1 ALA A 35 14.128 -8.323 -1.217 1.00 3.13 H new ATOM 0 HB2 ALA A 35 14.874 -6.930 -0.399 1.00 3.13 H new ATOM 0 HB3 ALA A 35 14.022 -6.703 -1.945 1.00 3.13 H new ATOM 559 N SER A 36 16.472 -9.216 -3.847 1.00 2.83 N ATOM 560 CA SER A 36 16.424 -10.015 -5.080 1.00 3.14 C ATOM 561 C SER A 36 15.657 -9.310 -6.202 1.00 2.67 C ATOM 562 O SER A 36 14.718 -9.822 -6.797 1.00 3.26 O ATOM 563 CB SER A 36 15.857 -11.364 -4.638 1.00 4.30 C ATOM 564 OG SER A 36 16.449 -11.602 -3.359 1.00 4.90 O ATOM 0 H SER A 36 17.233 -9.513 -3.236 1.00 2.83 H new ATOM 0 HA SER A 36 17.402 -10.157 -5.540 1.00 3.14 H new ATOM 0 HB2 SER A 36 14.769 -11.335 -4.572 1.00 4.30 H new ATOM 0 HB3 SER A 36 16.112 -12.153 -5.346 1.00 4.30 H new ATOM 0 HG SER A 36 17.420 -11.488 -3.422 1.00 4.90 H new ATOM 570 N LYS A 37 16.171 -8.077 -6.426 1.00 2.03 N ATOM 571 CA LYS A 37 15.520 -7.146 -7.338 1.00 2.42 C ATOM 572 C LYS A 37 15.963 -7.435 -8.781 1.00 2.13 C ATOM 573 O LYS A 37 15.942 -6.604 -9.672 1.00 2.84 O ATOM 574 CB LYS A 37 15.742 -5.694 -6.835 1.00 2.97 C ATOM 575 CG LYS A 37 16.641 -4.736 -7.651 1.00 4.03 C ATOM 576 CD LYS A 37 18.159 -5.020 -7.599 1.00 4.93 C ATOM 577 CE LYS A 37 18.797 -5.450 -8.945 1.00 5.80 C ATOM 578 NZ LYS A 37 19.711 -6.594 -8.844 1.00 6.65 N ATOM 0 H LYS A 37 17.021 -7.721 -5.989 1.00 2.03 H new ATOM 0 HA LYS A 37 14.438 -7.279 -7.352 1.00 2.42 H new ATOM 0 HB2 LYS A 37 14.762 -5.226 -6.745 1.00 2.97 H new ATOM 0 HB3 LYS A 37 16.159 -5.756 -5.830 1.00 2.97 H new ATOM 0 HG2 LYS A 37 16.321 -4.769 -8.692 1.00 4.03 H new ATOM 0 HG3 LYS A 37 16.470 -3.719 -7.297 1.00 4.03 H new ATOM 0 HD2 LYS A 37 18.668 -4.124 -7.244 1.00 4.93 H new ATOM 0 HD3 LYS A 37 18.341 -5.803 -6.863 1.00 4.93 H new ATOM 0 HE2 LYS A 37 18.001 -5.697 -9.648 1.00 5.80 H new ATOM 0 HE3 LYS A 37 19.340 -4.602 -9.363 1.00 5.80 H new ATOM 0 HZ1 LYS A 37 20.641 -6.330 -9.228 1.00 6.65 H new ATOM 0 HZ2 LYS A 37 19.813 -6.870 -7.846 1.00 6.65 H new ATOM 0 HZ3 LYS A 37 19.327 -7.394 -9.386 1.00 6.65 H new ATOM 592 N ASN A 38 16.422 -8.670 -8.991 1.00 1.58 N ATOM 593 CA ASN A 38 16.992 -8.992 -10.295 1.00 1.88 C ATOM 594 C ASN A 38 15.899 -9.208 -11.351 1.00 1.67 C ATOM 595 O ASN A 38 16.176 -9.500 -12.511 1.00 2.21 O ATOM 596 CB ASN A 38 17.866 -10.249 -10.146 1.00 2.57 C ATOM 597 CG ASN A 38 19.329 -9.892 -10.381 1.00 3.26 C ATOM 598 OD1 ASN A 38 19.829 -8.872 -9.909 1.00 3.75 O ATOM 599 ND2 ASN A 38 19.989 -10.777 -11.129 1.00 3.84 N ATOM 0 H ASN A 38 16.412 -9.429 -8.310 1.00 1.58 H new ATOM 0 HA ASN A 38 17.599 -8.155 -10.639 1.00 1.88 H new ATOM 0 HB2 ASN A 38 17.741 -10.674 -9.150 1.00 2.57 H new ATOM 0 HB3 ASN A 38 17.549 -11.010 -10.859 1.00 2.57 H new ATOM 0 HD21 ASN A 38 20.975 -10.629 -11.343 1.00 3.84 H new ATOM 0 HD22 ASN A 38 19.508 -11.602 -11.487 1.00 3.84 H new ATOM 606 N THR A 39 14.654 -8.971 -10.888 1.00 1.20 N ATOM 607 CA THR A 39 13.531 -8.660 -11.747 1.00 1.20 C ATOM 608 C THR A 39 13.882 -7.515 -12.729 1.00 1.04 C ATOM 609 O THR A 39 14.990 -6.971 -12.771 1.00 1.01 O ATOM 610 CB THR A 39 12.306 -8.378 -10.874 1.00 1.32 C ATOM 611 OG1 THR A 39 11.146 -8.553 -11.681 1.00 1.94 O ATOM 612 CG2 THR A 39 12.431 -7.006 -10.191 1.00 1.17 C ATOM 0 H THR A 39 14.415 -8.994 -9.897 1.00 1.20 H new ATOM 0 HA THR A 39 13.288 -9.511 -12.383 1.00 1.20 H new ATOM 0 HB THR A 39 12.226 -9.079 -10.043 1.00 1.32 H new ATOM 0 HG1 THR A 39 10.393 -8.070 -11.281 1.00 1.94 H new ATOM 0 HG21 THR A 39 11.550 -6.825 -9.575 1.00 1.17 H new ATOM 0 HG22 THR A 39 13.322 -6.992 -9.563 1.00 1.17 H new ATOM 0 HG23 THR A 39 12.510 -6.228 -10.950 1.00 1.17 H new ATOM 620 N THR A 40 12.855 -7.250 -13.549 1.00 1.06 N ATOM 621 CA THR A 40 12.967 -6.372 -14.698 1.00 0.96 C ATOM 622 C THR A 40 13.202 -4.911 -14.216 1.00 0.86 C ATOM 623 O THR A 40 12.599 -4.403 -13.269 1.00 0.84 O ATOM 624 CB THR A 40 11.703 -6.530 -15.568 1.00 0.99 C ATOM 625 OG1 THR A 40 10.895 -7.554 -15.003 1.00 1.30 O ATOM 626 CG2 THR A 40 12.061 -6.928 -17.007 1.00 1.34 C ATOM 0 H THR A 40 11.923 -7.646 -13.424 1.00 1.06 H new ATOM 0 HA THR A 40 13.824 -6.638 -15.317 1.00 0.96 H new ATOM 0 HB THR A 40 11.176 -5.576 -15.594 1.00 0.99 H new ATOM 0 HG1 THR A 40 10.085 -7.667 -15.543 1.00 1.30 H new ATOM 0 HG21 THR A 40 11.148 -7.031 -17.594 1.00 1.34 H new ATOM 0 HG22 THR A 40 12.693 -6.159 -17.451 1.00 1.34 H new ATOM 0 HG23 THR A 40 12.597 -7.877 -16.999 1.00 1.34 H new ATOM 634 N GLU A 41 14.067 -4.240 -15.002 1.00 0.84 N ATOM 635 CA GLU A 41 14.360 -2.815 -14.818 1.00 0.78 C ATOM 636 C GLU A 41 13.079 -1.969 -14.619 1.00 0.74 C ATOM 637 O GLU A 41 12.996 -1.016 -13.860 1.00 0.70 O ATOM 638 CB GLU A 41 15.090 -2.294 -16.076 1.00 0.79 C ATOM 639 CG GLU A 41 16.215 -3.210 -16.584 1.00 0.85 C ATOM 640 CD GLU A 41 17.258 -3.407 -15.489 1.00 1.42 C ATOM 641 OE1 GLU A 41 17.083 -4.278 -14.637 1.00 2.16 O ATOM 642 OE2 GLU A 41 18.219 -2.662 -15.479 1.00 2.12 O ATOM 0 H GLU A 41 14.575 -4.671 -15.774 1.00 0.84 H new ATOM 0 HA GLU A 41 14.973 -2.718 -13.922 1.00 0.78 H new ATOM 0 HB2 GLU A 41 14.360 -2.159 -16.874 1.00 0.79 H new ATOM 0 HB3 GLU A 41 15.509 -1.312 -15.857 1.00 0.79 H new ATOM 0 HG2 GLU A 41 15.804 -4.174 -16.884 1.00 0.85 H new ATOM 0 HG3 GLU A 41 16.681 -2.773 -17.467 1.00 0.85 H new ATOM 649 N LYS A 42 12.067 -2.396 -15.391 1.00 0.77 N ATOM 650 CA LYS A 42 10.781 -1.710 -15.335 1.00 0.75 C ATOM 651 C LYS A 42 10.163 -1.760 -13.920 1.00 0.74 C ATOM 652 O LYS A 42 9.605 -0.781 -13.433 1.00 0.72 O ATOM 653 CB LYS A 42 9.825 -2.371 -16.343 1.00 0.83 C ATOM 654 CG LYS A 42 10.272 -2.199 -17.802 1.00 1.58 C ATOM 655 CD LYS A 42 9.293 -2.846 -18.795 1.00 1.92 C ATOM 656 CE LYS A 42 9.530 -4.357 -18.982 1.00 2.60 C ATOM 657 NZ LYS A 42 8.501 -5.029 -19.771 1.00 3.07 N ATOM 0 H LYS A 42 12.115 -3.184 -16.037 1.00 0.77 H new ATOM 0 HA LYS A 42 10.938 -0.661 -15.585 1.00 0.75 H new ATOM 0 HB2 LYS A 42 9.747 -3.434 -16.117 1.00 0.83 H new ATOM 0 HB3 LYS A 42 8.829 -1.945 -16.222 1.00 0.83 H new ATOM 0 HG2 LYS A 42 10.365 -1.137 -18.028 1.00 1.58 H new ATOM 0 HG3 LYS A 42 11.260 -2.640 -17.931 1.00 1.58 H new ATOM 0 HD2 LYS A 42 8.273 -2.685 -18.447 1.00 1.92 H new ATOM 0 HD3 LYS A 42 9.383 -2.348 -19.761 1.00 1.92 H new ATOM 0 HE2 LYS A 42 10.497 -4.505 -19.464 1.00 2.60 H new ATOM 0 HE3 LYS A 42 9.587 -4.829 -18.001 1.00 2.60 H new ATOM 0 HZ1 LYS A 42 8.731 -6.040 -19.852 1.00 3.07 H new ATOM 0 HZ2 LYS A 42 7.578 -4.920 -19.303 1.00 3.07 H new ATOM 0 HZ3 LYS A 42 8.460 -4.606 -20.720 1.00 3.07 H new ATOM 671 N GLU A 43 10.305 -2.948 -13.280 1.00 0.77 N ATOM 672 CA GLU A 43 9.818 -3.086 -11.908 1.00 0.77 C ATOM 673 C GLU A 43 10.637 -2.241 -10.931 1.00 0.70 C ATOM 674 O GLU A 43 10.112 -1.457 -10.147 1.00 0.70 O ATOM 675 CB GLU A 43 9.688 -4.521 -11.377 1.00 0.82 C ATOM 676 CG GLU A 43 9.122 -4.607 -9.934 1.00 1.05 C ATOM 677 CD GLU A 43 9.404 -5.954 -9.304 1.00 1.58 C ATOM 678 OE1 GLU A 43 9.444 -6.955 -10.003 1.00 2.30 O ATOM 679 OE2 GLU A 43 9.632 -6.001 -8.096 1.00 2.18 O ATOM 0 H GLU A 43 10.734 -3.782 -13.680 1.00 0.77 H new ATOM 0 HA GLU A 43 8.796 -2.711 -11.968 1.00 0.77 H new ATOM 0 HB2 GLU A 43 9.041 -5.088 -12.046 1.00 0.82 H new ATOM 0 HB3 GLU A 43 10.668 -4.998 -11.402 1.00 0.82 H new ATOM 0 HG2 GLU A 43 9.562 -3.819 -9.322 1.00 1.05 H new ATOM 0 HG3 GLU A 43 8.046 -4.432 -9.953 1.00 1.05 H new ATOM 686 N THR A 44 11.963 -2.406 -11.064 1.00 0.68 N ATOM 687 CA THR A 44 12.857 -1.565 -10.280 1.00 0.64 C ATOM 688 C THR A 44 12.445 -0.092 -10.419 1.00 0.61 C ATOM 689 O THR A 44 12.452 0.642 -9.451 1.00 0.59 O ATOM 690 CB THR A 44 14.333 -1.866 -10.669 1.00 0.64 C ATOM 691 OG1 THR A 44 15.064 -2.246 -9.511 1.00 0.66 O ATOM 692 CG2 THR A 44 15.094 -0.703 -11.324 1.00 0.64 C ATOM 0 H THR A 44 12.416 -3.083 -11.678 1.00 0.68 H new ATOM 0 HA THR A 44 12.776 -1.793 -9.217 1.00 0.64 H new ATOM 0 HB THR A 44 14.262 -2.661 -11.412 1.00 0.64 H new ATOM 0 HG1 THR A 44 15.555 -1.471 -9.165 1.00 0.66 H new ATOM 0 HG21 THR A 44 16.112 -1.018 -11.555 1.00 0.64 H new ATOM 0 HG22 THR A 44 14.588 -0.409 -12.243 1.00 0.64 H new ATOM 0 HG23 THR A 44 15.123 0.144 -10.639 1.00 0.64 H new ATOM 700 N PHE A 45 12.099 0.313 -11.650 1.00 0.62 N ATOM 701 CA PHE A 45 11.707 1.706 -11.848 1.00 0.61 C ATOM 702 C PHE A 45 10.344 2.006 -11.231 1.00 0.64 C ATOM 703 O PHE A 45 10.099 3.104 -10.759 1.00 0.64 O ATOM 704 CB PHE A 45 11.671 2.085 -13.327 1.00 0.65 C ATOM 705 CG PHE A 45 13.019 2.229 -13.974 1.00 0.63 C ATOM 706 CD1 PHE A 45 14.187 2.532 -13.266 1.00 1.31 C ATOM 707 CD2 PHE A 45 13.081 2.086 -15.352 1.00 1.40 C ATOM 708 CE1 PHE A 45 15.385 2.679 -13.948 1.00 1.31 C ATOM 709 CE2 PHE A 45 14.277 2.232 -16.029 1.00 1.40 C ATOM 710 CZ PHE A 45 15.430 2.519 -15.323 1.00 0.65 C ATOM 0 H PHE A 45 12.083 -0.275 -12.483 1.00 0.62 H new ATOM 0 HA PHE A 45 12.468 2.303 -11.345 1.00 0.61 H new ATOM 0 HB2 PHE A 45 11.103 1.328 -13.868 1.00 0.65 H new ATOM 0 HB3 PHE A 45 11.130 3.025 -13.433 1.00 0.65 H new ATOM 0 HD1 PHE A 45 14.156 2.651 -12.193 1.00 1.31 H new ATOM 0 HD2 PHE A 45 12.181 1.857 -15.904 1.00 1.40 H new ATOM 0 HE1 PHE A 45 16.287 2.919 -13.405 1.00 1.31 H new ATOM 0 HE2 PHE A 45 14.310 2.123 -17.103 1.00 1.40 H new ATOM 0 HZ PHE A 45 16.370 2.619 -15.846 1.00 0.65 H new ATOM 720 N CYS A 46 9.440 1.026 -11.309 1.00 0.70 N ATOM 721 CA CYS A 46 8.104 1.243 -10.763 1.00 0.74 C ATOM 722 C CYS A 46 8.270 1.511 -9.255 1.00 0.69 C ATOM 723 O CYS A 46 8.060 2.614 -8.756 1.00 0.68 O ATOM 724 CB CYS A 46 7.227 0.033 -11.090 1.00 0.86 C ATOM 725 SG CYS A 46 5.473 0.363 -10.835 1.00 1.03 S ATOM 0 H CYS A 46 9.601 0.110 -11.728 1.00 0.70 H new ATOM 0 HA CYS A 46 7.599 2.103 -11.202 1.00 0.74 H new ATOM 0 HB2 CYS A 46 7.391 -0.261 -12.127 1.00 0.86 H new ATOM 0 HB3 CYS A 46 7.529 -0.809 -10.468 1.00 0.86 H new ATOM 730 N ARG A 47 8.794 0.453 -8.624 1.00 0.68 N ATOM 731 CA ARG A 47 9.049 0.425 -7.198 1.00 0.66 C ATOM 732 C ARG A 47 9.992 1.552 -6.709 1.00 0.58 C ATOM 733 O ARG A 47 9.841 2.032 -5.591 1.00 0.62 O ATOM 734 CB ARG A 47 9.346 -1.045 -6.812 1.00 0.71 C ATOM 735 CG ARG A 47 10.582 -1.357 -5.959 1.00 0.77 C ATOM 736 CD ARG A 47 10.583 -2.838 -5.540 1.00 1.49 C ATOM 737 NE ARG A 47 11.914 -3.344 -5.218 1.00 2.18 N ATOM 738 CZ ARG A 47 12.337 -3.676 -3.971 1.00 3.09 C ATOM 739 NH1 ARG A 47 11.657 -3.312 -2.889 1.00 3.89 N ATOM 740 NH2 ARG A 47 13.442 -4.394 -3.813 1.00 3.64 N ATOM 0 H ARG A 47 9.052 -0.410 -9.103 1.00 0.68 H new ATOM 0 HA ARG A 47 8.175 0.708 -6.611 1.00 0.66 H new ATOM 0 HB2 ARG A 47 8.475 -1.428 -6.280 1.00 0.71 H new ATOM 0 HB3 ARG A 47 9.432 -1.617 -7.736 1.00 0.71 H new ATOM 0 HG2 ARG A 47 11.487 -1.131 -6.522 1.00 0.77 H new ATOM 0 HG3 ARG A 47 10.591 -0.722 -5.073 1.00 0.77 H new ATOM 0 HD2 ARG A 47 9.934 -2.964 -4.673 1.00 1.49 H new ATOM 0 HD3 ARG A 47 10.159 -3.437 -6.346 1.00 1.49 H new ATOM 0 HE ARG A 47 12.575 -3.456 -5.987 1.00 2.18 H new ATOM 0 HH11 ARG A 47 10.797 -2.771 -2.985 1.00 3.89 H new ATOM 0 HH12 ARG A 47 11.995 -3.573 -1.963 1.00 3.89 H new ATOM 0 HH21 ARG A 47 13.974 -4.697 -4.629 1.00 3.64 H new ATOM 0 HH22 ARG A 47 13.759 -4.643 -2.876 1.00 3.64 H new ATOM 754 N ALA A 48 10.923 1.971 -7.590 1.00 0.54 N ATOM 755 CA ALA A 48 11.795 3.109 -7.294 1.00 0.48 C ATOM 756 C ALA A 48 11.064 4.448 -7.424 1.00 0.46 C ATOM 757 O ALA A 48 11.388 5.441 -6.767 1.00 0.48 O ATOM 758 CB ALA A 48 13.003 3.123 -8.244 1.00 0.49 C ATOM 0 H ALA A 48 11.084 1.540 -8.500 1.00 0.54 H new ATOM 0 HA ALA A 48 12.122 2.988 -6.261 1.00 0.48 H new ATOM 0 HB1 ALA A 48 13.640 3.976 -8.010 1.00 0.49 H new ATOM 0 HB2 ALA A 48 13.572 2.201 -8.123 1.00 0.49 H new ATOM 0 HB3 ALA A 48 12.655 3.202 -9.274 1.00 0.49 H new ATOM 764 N ALA A 49 10.097 4.468 -8.346 1.00 0.50 N ATOM 765 CA ALA A 49 9.365 5.703 -8.590 1.00 0.52 C ATOM 766 C ALA A 49 8.659 6.114 -7.292 1.00 0.51 C ATOM 767 O ALA A 49 8.875 7.218 -6.796 1.00 0.53 O ATOM 768 CB ALA A 49 8.363 5.556 -9.741 1.00 0.60 C ATOM 0 H ALA A 49 9.813 3.671 -8.915 1.00 0.50 H new ATOM 0 HA ALA A 49 10.067 6.480 -8.892 1.00 0.52 H new ATOM 0 HB1 ALA A 49 7.838 6.500 -9.890 1.00 0.60 H new ATOM 0 HB2 ALA A 49 8.895 5.289 -10.654 1.00 0.60 H new ATOM 0 HB3 ALA A 49 7.642 4.775 -9.499 1.00 0.60 H new ATOM 774 N THR A 50 7.872 5.154 -6.752 1.00 0.53 N ATOM 775 CA THR A 50 7.099 5.407 -5.535 1.00 0.57 C ATOM 776 C THR A 50 7.895 6.081 -4.396 1.00 0.54 C ATOM 777 O THR A 50 7.381 6.950 -3.668 1.00 0.56 O ATOM 778 CB THR A 50 6.292 4.199 -5.037 1.00 0.65 C ATOM 779 OG1 THR A 50 5.267 3.965 -5.992 1.00 0.76 O ATOM 780 CG2 THR A 50 5.475 4.466 -3.763 1.00 0.78 C ATOM 0 H THR A 50 7.763 4.217 -7.139 1.00 0.53 H new ATOM 0 HA THR A 50 6.367 6.146 -5.861 1.00 0.57 H new ATOM 0 HB THR A 50 7.019 3.404 -4.870 1.00 0.65 H new ATOM 0 HG1 THR A 50 4.727 3.197 -5.711 1.00 0.76 H new ATOM 0 HG21 THR A 50 4.936 3.562 -3.480 1.00 0.78 H new ATOM 0 HG22 THR A 50 6.146 4.756 -2.955 1.00 0.78 H new ATOM 0 HG23 THR A 50 4.763 5.270 -3.949 1.00 0.78 H new ATOM 788 N VAL A 51 9.189 5.697 -4.318 1.00 0.52 N ATOM 789 CA VAL A 51 9.997 6.269 -3.245 1.00 0.53 C ATOM 790 C VAL A 51 10.356 7.737 -3.540 1.00 0.52 C ATOM 791 O VAL A 51 10.374 8.572 -2.648 1.00 0.56 O ATOM 792 CB VAL A 51 11.212 5.372 -2.882 1.00 0.57 C ATOM 793 CG1 VAL A 51 10.963 3.903 -3.249 1.00 1.30 C ATOM 794 CG2 VAL A 51 12.563 5.820 -3.461 1.00 1.44 C ATOM 0 H VAL A 51 9.660 5.041 -4.941 1.00 0.52 H new ATOM 0 HA VAL A 51 9.392 6.290 -2.338 1.00 0.53 H new ATOM 0 HB VAL A 51 11.295 5.484 -1.801 1.00 0.57 H new ATOM 0 HG11 VAL A 51 11.836 3.308 -2.980 1.00 1.30 H new ATOM 0 HG12 VAL A 51 10.092 3.535 -2.707 1.00 1.30 H new ATOM 0 HG13 VAL A 51 10.785 3.821 -4.321 1.00 1.30 H new ATOM 0 HG21 VAL A 51 13.342 5.125 -3.147 1.00 1.44 H new ATOM 0 HG22 VAL A 51 12.506 5.833 -4.549 1.00 1.44 H new ATOM 0 HG23 VAL A 51 12.801 6.820 -3.098 1.00 1.44 H new ATOM 804 N LEU A 52 10.635 8.036 -4.820 1.00 0.49 N ATOM 805 CA LEU A 52 10.910 9.421 -5.231 1.00 0.52 C ATOM 806 C LEU A 52 9.700 10.309 -4.965 1.00 0.52 C ATOM 807 O LEU A 52 9.861 11.486 -4.664 1.00 0.57 O ATOM 808 CB LEU A 52 11.173 9.516 -6.742 1.00 0.59 C ATOM 809 CG LEU A 52 12.608 9.190 -7.144 1.00 1.38 C ATOM 810 CD1 LEU A 52 12.619 8.658 -8.578 1.00 2.17 C ATOM 811 CD2 LEU A 52 13.504 10.427 -6.996 1.00 2.05 C ATOM 0 H LEU A 52 10.676 7.351 -5.575 1.00 0.49 H new ATOM 0 HA LEU A 52 11.782 9.741 -4.661 1.00 0.52 H new ATOM 0 HB2 LEU A 52 10.498 8.836 -7.261 1.00 0.59 H new ATOM 0 HB3 LEU A 52 10.932 10.524 -7.080 1.00 0.59 H new ATOM 0 HG LEU A 52 13.008 8.421 -6.483 1.00 1.38 H new ATOM 0 HD11 LEU A 52 13.642 8.423 -8.871 1.00 2.17 H new ATOM 0 HD12 LEU A 52 12.009 7.757 -8.636 1.00 2.17 H new ATOM 0 HD13 LEU A 52 12.214 9.415 -9.250 1.00 2.17 H new ATOM 0 HD21 LEU A 52 14.524 10.175 -7.287 1.00 2.05 H new ATOM 0 HD22 LEU A 52 13.131 11.226 -7.637 1.00 2.05 H new ATOM 0 HD23 LEU A 52 13.495 10.761 -5.958 1.00 2.05 H new ATOM 823 N ARG A 53 8.519 9.657 -5.081 1.00 0.52 N ATOM 824 CA ARG A 53 7.294 10.370 -4.763 1.00 0.57 C ATOM 825 C ARG A 53 7.321 10.847 -3.306 1.00 0.57 C ATOM 826 O ARG A 53 7.340 12.036 -3.004 1.00 0.61 O ATOM 827 CB ARG A 53 6.065 9.466 -5.001 1.00 0.61 C ATOM 828 CG ARG A 53 4.711 10.173 -4.869 1.00 0.67 C ATOM 829 CD ARG A 53 3.575 9.142 -4.869 1.00 1.21 C ATOM 830 NE ARG A 53 2.282 9.801 -4.681 1.00 1.59 N ATOM 831 CZ ARG A 53 1.273 9.297 -3.925 1.00 2.02 C ATOM 832 NH1 ARG A 53 1.402 8.125 -3.313 1.00 2.62 N ATOM 833 NH2 ARG A 53 0.144 9.987 -3.804 1.00 2.57 N ATOM 0 H ARG A 53 8.405 8.688 -5.378 1.00 0.52 H new ATOM 0 HA ARG A 53 7.220 11.238 -5.418 1.00 0.57 H new ATOM 0 HB2 ARG A 53 6.137 9.034 -5.999 1.00 0.61 H new ATOM 0 HB3 ARG A 53 6.098 8.639 -4.292 1.00 0.61 H new ATOM 0 HG2 ARG A 53 4.684 10.755 -3.948 1.00 0.67 H new ATOM 0 HG3 ARG A 53 4.576 10.874 -5.693 1.00 0.67 H new ATOM 0 HD2 ARG A 53 3.576 8.592 -5.810 1.00 1.21 H new ATOM 0 HD3 ARG A 53 3.737 8.414 -4.074 1.00 1.21 H new ATOM 0 HE ARG A 53 2.129 10.695 -5.147 1.00 1.59 H new ATOM 0 HH11 ARG A 53 2.267 7.592 -3.408 1.00 2.62 H new ATOM 0 HH12 ARG A 53 0.636 7.758 -2.748 1.00 2.62 H new ATOM 0 HH21 ARG A 53 0.042 10.885 -4.276 1.00 2.57 H new ATOM 0 HH22 ARG A 53 -0.621 9.618 -3.239 1.00 2.57 H new ATOM 847 N GLN A 54 7.295 9.814 -2.437 1.00 0.57 N ATOM 848 CA GLN A 54 7.274 10.082 -0.999 1.00 0.62 C ATOM 849 C GLN A 54 8.427 11.023 -0.607 1.00 0.63 C ATOM 850 O GLN A 54 8.343 11.832 0.313 1.00 0.68 O ATOM 851 CB GLN A 54 7.383 8.781 -0.183 1.00 0.67 C ATOM 852 CG GLN A 54 6.224 7.796 -0.415 1.00 1.25 C ATOM 853 CD GLN A 54 6.111 6.802 0.753 1.00 1.90 C ATOM 854 OE1 GLN A 54 5.083 6.721 1.408 1.00 2.09 O ATOM 855 NE2 GLN A 54 7.220 6.084 1.004 1.00 2.78 N ATOM 0 H GLN A 54 7.288 8.828 -2.699 1.00 0.57 H new ATOM 0 HA GLN A 54 6.320 10.558 -0.772 1.00 0.62 H new ATOM 0 HB2 GLN A 54 8.322 8.286 -0.432 1.00 0.67 H new ATOM 0 HB3 GLN A 54 7.426 9.032 0.877 1.00 0.67 H new ATOM 0 HG2 GLN A 54 5.289 8.346 -0.522 1.00 1.25 H new ATOM 0 HG3 GLN A 54 6.383 7.253 -1.347 1.00 1.25 H new ATOM 0 HE21 GLN A 54 8.046 6.200 0.417 1.00 2.78 H new ATOM 0 HE22 GLN A 54 7.235 5.424 1.781 1.00 2.78 H new ATOM 864 N PHE A 55 9.512 10.945 -1.386 1.00 0.61 N ATOM 865 CA PHE A 55 10.550 11.923 -1.193 1.00 0.64 C ATOM 866 C PHE A 55 10.035 13.334 -1.536 1.00 0.62 C ATOM 867 O PHE A 55 9.723 14.122 -0.648 1.00 0.65 O ATOM 868 CB PHE A 55 11.824 11.522 -1.942 1.00 0.67 C ATOM 869 CG PHE A 55 12.981 12.321 -1.420 1.00 0.71 C ATOM 870 CD1 PHE A 55 13.506 12.045 -0.162 1.00 1.33 C ATOM 871 CD2 PHE A 55 13.519 13.359 -2.170 1.00 1.49 C ATOM 872 CE1 PHE A 55 14.545 12.803 0.347 1.00 1.45 C ATOM 873 CE2 PHE A 55 14.574 14.107 -1.667 1.00 1.57 C ATOM 874 CZ PHE A 55 15.088 13.830 -0.409 1.00 1.03 C ATOM 0 H PHE A 55 9.677 10.250 -2.114 1.00 0.61 H new ATOM 0 HA PHE A 55 10.828 11.955 -0.140 1.00 0.64 H new ATOM 0 HB2 PHE A 55 12.015 10.457 -1.812 1.00 0.67 H new ATOM 0 HB3 PHE A 55 11.701 11.696 -3.011 1.00 0.67 H new ATOM 0 HD1 PHE A 55 13.099 11.233 0.422 1.00 1.33 H new ATOM 0 HD2 PHE A 55 13.116 13.584 -3.146 1.00 1.49 H new ATOM 0 HE1 PHE A 55 14.933 12.595 1.333 1.00 1.45 H new ATOM 0 HE2 PHE A 55 14.996 14.907 -2.257 1.00 1.57 H new ATOM 0 HZ PHE A 55 15.909 14.413 -0.019 1.00 1.03 H new ATOM 884 N TYR A 56 9.971 13.671 -2.836 1.00 0.61 N ATOM 885 CA TYR A 56 9.778 15.074 -3.187 1.00 0.62 C ATOM 886 C TYR A 56 8.496 15.650 -2.571 1.00 0.63 C ATOM 887 O TYR A 56 8.478 16.818 -2.192 1.00 0.66 O ATOM 888 CB TYR A 56 9.853 15.304 -4.723 1.00 0.67 C ATOM 889 CG TYR A 56 8.545 15.193 -5.481 1.00 0.59 C ATOM 890 CD1 TYR A 56 8.115 13.977 -5.999 1.00 1.32 C ATOM 891 CD2 TYR A 56 7.735 16.310 -5.673 1.00 1.31 C ATOM 892 CE1 TYR A 56 6.897 13.864 -6.665 1.00 1.38 C ATOM 893 CE2 TYR A 56 6.516 16.205 -6.326 1.00 1.38 C ATOM 894 CZ TYR A 56 6.088 14.983 -6.817 1.00 0.85 C ATOM 895 OH TYR A 56 4.849 14.907 -7.426 1.00 1.09 O ATOM 0 H TYR A 56 10.046 13.023 -3.620 1.00 0.61 H new ATOM 0 HA TYR A 56 10.608 15.629 -2.749 1.00 0.62 H new ATOM 0 HB2 TYR A 56 10.269 16.296 -4.901 1.00 0.67 H new ATOM 0 HB3 TYR A 56 10.555 14.584 -5.143 1.00 0.67 H new ATOM 0 HD1 TYR A 56 8.738 13.102 -5.883 1.00 1.32 H new ATOM 0 HD2 TYR A 56 8.061 17.273 -5.308 1.00 1.31 H new ATOM 0 HE1 TYR A 56 6.583 12.910 -7.062 1.00 1.38 H new ATOM 0 HE2 TYR A 56 5.897 17.081 -6.452 1.00 1.38 H new ATOM 0 HH TYR A 56 4.255 15.587 -7.045 1.00 1.09 H new ATOM 905 N SER A 57 7.483 14.772 -2.501 1.00 0.63 N ATOM 906 CA SER A 57 6.153 15.163 -2.073 1.00 0.68 C ATOM 907 C SER A 57 6.001 15.199 -0.557 1.00 0.75 C ATOM 908 O SER A 57 5.435 16.150 -0.050 1.00 0.84 O ATOM 909 CB SER A 57 5.133 14.245 -2.729 1.00 0.72 C ATOM 910 OG SER A 57 5.387 14.256 -4.124 1.00 1.47 O ATOM 0 H SER A 57 7.572 13.784 -2.739 1.00 0.63 H new ATOM 0 HA SER A 57 5.976 16.189 -2.397 1.00 0.68 H new ATOM 0 HB2 SER A 57 5.216 13.233 -2.332 1.00 0.72 H new ATOM 0 HB3 SER A 57 4.119 14.587 -2.521 1.00 0.72 H new ATOM 0 HG SER A 57 5.833 15.094 -4.369 1.00 1.47 H new ATOM 916 N HIS A 58 6.491 14.167 0.164 1.00 0.76 N ATOM 917 CA HIS A 58 6.313 14.216 1.629 1.00 0.87 C ATOM 918 C HIS A 58 7.080 15.416 2.195 1.00 0.90 C ATOM 919 O HIS A 58 6.592 16.205 2.998 1.00 1.02 O ATOM 920 CB HIS A 58 6.849 12.926 2.284 1.00 0.92 C ATOM 921 CG HIS A 58 6.429 12.750 3.725 1.00 1.05 C ATOM 922 ND1 HIS A 58 7.064 13.270 4.806 1.00 1.64 N ATOM 923 CD2 HIS A 58 5.357 11.968 4.180 1.00 1.39 C ATOM 924 CE1 HIS A 58 6.399 12.818 5.883 1.00 1.59 C ATOM 925 NE2 HIS A 58 5.366 12.023 5.530 1.00 1.40 N ATOM 0 H HIS A 58 6.976 13.350 -0.207 1.00 0.76 H new ATOM 0 HA HIS A 58 5.249 14.311 1.847 1.00 0.87 H new ATOM 0 HB2 HIS A 58 6.504 12.067 1.708 1.00 0.92 H new ATOM 0 HB3 HIS A 58 7.938 12.929 2.231 1.00 0.92 H new ATOM 0 HD2 HIS A 58 4.655 11.423 3.566 1.00 1.39 H new ATOM 0 HE1 HIS A 58 6.658 13.060 6.903 1.00 1.59 H new ATOM 0 HE2 HIS A 58 4.717 11.554 6.162 1.00 1.40 H new ATOM 933 N HIS A 59 8.332 15.474 1.698 1.00 0.90 N ATOM 934 CA HIS A 59 9.216 16.565 2.053 1.00 1.02 C ATOM 935 C HIS A 59 8.608 17.894 1.573 1.00 0.93 C ATOM 936 O HIS A 59 8.309 18.772 2.347 1.00 1.15 O ATOM 937 CB HIS A 59 10.644 16.373 1.511 1.00 1.28 C ATOM 938 CG HIS A 59 11.366 15.357 2.367 1.00 1.52 C ATOM 939 ND1 HIS A 59 12.456 15.641 3.117 1.00 2.45 N ATOM 940 CD2 HIS A 59 11.043 14.000 2.556 1.00 1.35 C ATOM 941 CE1 HIS A 59 12.776 14.494 3.738 1.00 2.76 C ATOM 942 NE2 HIS A 59 11.945 13.489 3.423 1.00 2.06 N ATOM 0 H HIS A 59 8.734 14.785 1.063 1.00 0.90 H new ATOM 0 HA HIS A 59 9.309 16.582 3.139 1.00 1.02 H new ATOM 0 HB2 HIS A 59 10.611 16.036 0.475 1.00 1.28 H new ATOM 0 HB3 HIS A 59 11.180 17.322 1.520 1.00 1.28 H new ATOM 0 HD2 HIS A 59 10.226 13.466 2.094 1.00 1.35 H new ATOM 0 HE1 HIS A 59 13.610 14.392 4.416 1.00 2.76 H new ATOM 0 HE2 HIS A 59 11.986 12.530 3.769 1.00 2.06 H new ATOM 950 N GLU A 60 8.405 18.204 0.278 1.00 0.79 N ATOM 951 CA GLU A 60 7.970 19.611 0.009 1.00 0.94 C ATOM 952 C GLU A 60 8.054 20.565 1.291 1.00 0.83 C ATOM 953 O GLU A 60 8.001 21.781 1.150 1.00 1.23 O ATOM 954 CB GLU A 60 6.552 19.700 -0.629 1.00 1.20 C ATOM 955 CG GLU A 60 6.448 19.306 -2.133 1.00 1.07 C ATOM 956 CD GLU A 60 5.957 20.388 -3.141 1.00 1.40 C ATOM 957 OE1 GLU A 60 5.511 21.476 -2.758 1.00 1.76 O ATOM 958 OE2 GLU A 60 6.024 20.124 -4.346 1.00 1.92 O ATOM 0 H GLU A 60 8.516 17.587 -0.527 1.00 0.79 H new ATOM 0 HA GLU A 60 8.694 19.976 -0.720 1.00 0.94 H new ATOM 0 HB2 GLU A 60 5.879 19.059 -0.060 1.00 1.20 H new ATOM 0 HB3 GLU A 60 6.189 20.722 -0.517 1.00 1.20 H new ATOM 0 HG2 GLU A 60 7.432 18.969 -2.458 1.00 1.07 H new ATOM 0 HG3 GLU A 60 5.777 18.451 -2.208 1.00 1.07 H new ATOM 965 N LYS A 61 8.279 19.961 2.479 1.00 1.04 N ATOM 966 CA LYS A 61 8.495 20.669 3.729 1.00 1.38 C ATOM 967 C LYS A 61 9.477 19.865 4.652 1.00 1.57 C ATOM 968 O LYS A 61 10.630 19.630 4.335 1.00 2.41 O ATOM 969 CB LYS A 61 7.119 20.837 4.424 1.00 1.75 C ATOM 970 CG LYS A 61 5.960 21.493 3.661 1.00 1.95 C ATOM 971 CD LYS A 61 4.701 21.349 4.534 1.00 2.48 C ATOM 972 CE LYS A 61 3.383 21.780 3.891 1.00 2.97 C ATOM 973 NZ LYS A 61 2.257 21.363 4.734 1.00 3.39 N ATOM 0 HA LYS A 61 8.944 21.644 3.537 1.00 1.38 H new ATOM 0 HB2 LYS A 61 6.787 19.846 4.733 1.00 1.75 H new ATOM 0 HB3 LYS A 61 7.281 21.417 5.333 1.00 1.75 H new ATOM 0 HG2 LYS A 61 6.174 22.544 3.465 1.00 1.95 H new ATOM 0 HG3 LYS A 61 5.815 21.012 2.694 1.00 1.95 H new ATOM 0 HD2 LYS A 61 4.610 20.305 4.836 1.00 2.48 H new ATOM 0 HD3 LYS A 61 4.846 21.932 5.443 1.00 2.48 H new ATOM 0 HE2 LYS A 61 3.369 22.862 3.759 1.00 2.97 H new ATOM 0 HE3 LYS A 61 3.290 21.337 2.899 1.00 2.97 H new ATOM 0 HZ1 LYS A 61 1.364 21.659 4.291 1.00 3.39 H new ATOM 0 HZ2 LYS A 61 2.266 20.328 4.838 1.00 3.39 H new ATOM 0 HZ3 LYS A 61 2.342 21.806 5.671 1.00 3.39 H new ATOM 987 N ASP A 62 8.926 19.524 5.827 1.00 1.17 N ATOM 988 CA ASP A 62 9.509 18.809 6.947 1.00 1.44 C ATOM 989 C ASP A 62 10.859 19.369 7.439 1.00 1.52 C ATOM 990 O ASP A 62 11.623 18.719 8.138 1.00 1.93 O ATOM 991 CB ASP A 62 9.455 17.289 6.677 1.00 1.48 C ATOM 992 CG ASP A 62 9.251 16.415 7.937 1.00 2.19 C ATOM 993 OD1 ASP A 62 9.368 16.916 9.054 1.00 2.80 O ATOM 994 OD2 ASP A 62 8.944 15.229 7.800 1.00 2.58 O ATOM 0 H ASP A 62 7.957 19.775 6.025 1.00 1.17 H new ATOM 0 HA ASP A 62 8.893 18.989 7.828 1.00 1.44 H new ATOM 0 HB2 ASP A 62 8.645 17.087 5.976 1.00 1.48 H new ATOM 0 HB3 ASP A 62 10.382 16.987 6.189 1.00 1.48 H new ATOM 999 N THR A 63 11.133 20.630 7.037 1.00 1.43 N ATOM 1000 CA THR A 63 12.396 21.300 7.356 1.00 1.62 C ATOM 1001 C THR A 63 13.649 20.522 6.851 1.00 1.73 C ATOM 1002 O THR A 63 14.775 20.989 7.028 1.00 2.15 O ATOM 1003 CB THR A 63 12.477 21.568 8.878 1.00 2.16 C ATOM 1004 OG1 THR A 63 11.248 22.083 9.369 1.00 2.56 O ATOM 1005 CG2 THR A 63 13.520 22.631 9.247 1.00 2.40 C ATOM 0 H THR A 63 10.488 21.199 6.489 1.00 1.43 H new ATOM 0 HA THR A 63 12.403 22.249 6.821 1.00 1.62 H new ATOM 0 HB THR A 63 12.737 20.603 9.313 1.00 2.16 H new ATOM 0 HG1 THR A 63 11.322 22.243 10.333 1.00 2.56 H new ATOM 0 HG21 THR A 63 13.528 22.773 10.328 1.00 2.40 H new ATOM 0 HG22 THR A 63 14.506 22.304 8.917 1.00 2.40 H new ATOM 0 HG23 THR A 63 13.268 23.573 8.759 1.00 2.40 H new ATOM 1013 N ARG A 64 13.429 19.330 6.239 1.00 1.79 N ATOM 1014 CA ARG A 64 14.481 18.312 6.244 1.00 2.23 C ATOM 1015 C ARG A 64 15.430 18.553 5.059 1.00 2.12 C ATOM 1016 O ARG A 64 15.347 17.899 4.032 1.00 2.81 O ATOM 1017 CB ARG A 64 13.906 16.883 6.201 1.00 2.66 C ATOM 1018 CG ARG A 64 13.098 16.509 7.456 1.00 3.26 C ATOM 1019 CD ARG A 64 13.344 15.100 7.985 1.00 3.71 C ATOM 1020 NE ARG A 64 14.613 15.120 8.697 1.00 4.16 N ATOM 1021 CZ ARG A 64 15.185 14.022 9.212 1.00 4.64 C ATOM 1022 NH1 ARG A 64 14.544 12.860 9.123 1.00 5.10 N ATOM 1023 NH2 ARG A 64 16.383 14.133 9.778 1.00 5.03 N ATOM 0 H ARG A 64 12.568 19.068 5.759 1.00 1.79 H new ATOM 0 HA ARG A 64 15.034 18.400 7.179 1.00 2.23 H new ATOM 0 HB2 ARG A 64 13.267 16.783 5.324 1.00 2.66 H new ATOM 0 HB3 ARG A 64 14.725 16.174 6.081 1.00 2.66 H new ATOM 0 HG2 ARG A 64 13.331 17.223 8.246 1.00 3.26 H new ATOM 0 HG3 ARG A 64 12.037 16.617 7.232 1.00 3.26 H new ATOM 0 HD2 ARG A 64 12.536 14.792 8.649 1.00 3.71 H new ATOM 0 HD3 ARG A 64 13.374 14.382 7.166 1.00 3.71 H new ATOM 0 HE ARG A 64 15.091 16.014 8.810 1.00 4.16 H new ATOM 0 HH11 ARG A 64 13.632 12.814 8.668 1.00 5.10 H new ATOM 0 HH12 ARG A 64 14.964 12.015 9.509 1.00 5.10 H new ATOM 0 HH21 ARG A 64 16.848 15.040 9.814 1.00 5.03 H new ATOM 0 HH22 ARG A 64 16.837 13.311 10.176 1.00 5.03 H new ATOM 1037 N CYS A 65 16.339 19.506 5.305 1.00 1.74 N ATOM 1038 CA CYS A 65 17.368 20.032 4.419 1.00 1.71 C ATOM 1039 C CYS A 65 17.003 21.448 3.946 1.00 1.53 C ATOM 1040 O CYS A 65 17.720 22.065 3.166 1.00 1.77 O ATOM 1041 CB CYS A 65 17.636 19.199 3.150 1.00 2.12 C ATOM 1042 SG CYS A 65 19.039 19.844 2.187 1.00 2.28 S ATOM 0 H CYS A 65 16.369 19.966 6.215 1.00 1.74 H new ATOM 0 HA CYS A 65 18.270 20.009 5.031 1.00 1.71 H new ATOM 0 HB2 CYS A 65 17.836 18.165 3.432 1.00 2.12 H new ATOM 0 HB3 CYS A 65 16.742 19.192 2.526 1.00 2.12 H new ATOM 1047 N LEU A 66 15.864 21.992 4.424 1.00 1.42 N ATOM 1048 CA LEU A 66 15.395 23.277 3.869 1.00 1.65 C ATOM 1049 C LEU A 66 16.508 24.368 3.899 1.00 1.83 C ATOM 1050 O LEU A 66 16.610 25.230 3.027 1.00 2.55 O ATOM 1051 CB LEU A 66 14.091 23.737 4.549 1.00 1.77 C ATOM 1052 CG LEU A 66 12.839 23.354 3.737 1.00 1.86 C ATOM 1053 CD1 LEU A 66 12.650 21.838 3.621 1.00 1.75 C ATOM 1054 CD2 LEU A 66 11.576 24.011 4.306 1.00 2.34 C ATOM 0 H LEU A 66 15.279 21.587 5.155 1.00 1.42 H new ATOM 0 HA LEU A 66 15.162 23.116 2.817 1.00 1.65 H new ATOM 0 HB2 LEU A 66 14.026 23.293 5.542 1.00 1.77 H new ATOM 0 HB3 LEU A 66 14.117 24.818 4.684 1.00 1.77 H new ATOM 0 HG LEU A 66 13.004 23.737 2.730 1.00 1.86 H new ATOM 0 HD11 LEU A 66 11.753 21.627 3.039 1.00 1.75 H new ATOM 0 HD12 LEU A 66 13.516 21.400 3.125 1.00 1.75 H new ATOM 0 HD13 LEU A 66 12.546 21.407 4.617 1.00 1.75 H new ATOM 0 HD21 LEU A 66 10.713 23.718 3.708 1.00 2.34 H new ATOM 0 HD22 LEU A 66 11.430 23.687 5.337 1.00 2.34 H new ATOM 0 HD23 LEU A 66 11.686 25.095 4.278 1.00 2.34 H new ATOM 1066 N GLY A 67 17.372 24.247 4.921 1.00 1.80 N ATOM 1067 CA GLY A 67 18.652 24.953 4.887 1.00 2.17 C ATOM 1068 C GLY A 67 18.579 26.335 5.538 1.00 1.90 C ATOM 1069 O GLY A 67 19.591 26.965 5.816 1.00 2.39 O ATOM 0 H GLY A 67 17.210 23.683 5.755 1.00 1.80 H new ATOM 0 HA2 GLY A 67 19.406 24.354 5.397 1.00 2.17 H new ATOM 0 HA3 GLY A 67 18.976 25.060 3.852 1.00 2.17 H new ATOM 1073 N ALA A 68 17.329 26.776 5.776 1.00 1.90 N ATOM 1074 CA ALA A 68 17.035 27.975 6.566 1.00 2.20 C ATOM 1075 C ALA A 68 17.228 29.276 5.755 1.00 1.84 C ATOM 1076 O ALA A 68 16.436 30.205 5.851 1.00 2.32 O ATOM 1077 CB ALA A 68 17.792 28.023 7.905 1.00 2.83 C ATOM 0 H ALA A 68 16.496 26.306 5.422 1.00 1.90 H new ATOM 0 HA ALA A 68 15.977 27.904 6.817 1.00 2.20 H new ATOM 0 HB1 ALA A 68 17.529 28.936 8.439 1.00 2.83 H new ATOM 0 HB2 ALA A 68 17.519 27.158 8.509 1.00 2.83 H new ATOM 0 HB3 ALA A 68 18.866 28.010 7.717 1.00 2.83 H new ATOM 1083 N THR A 69 18.303 29.323 4.958 1.00 1.46 N ATOM 1084 CA THR A 69 18.658 30.534 4.241 1.00 1.38 C ATOM 1085 C THR A 69 17.780 30.792 2.999 1.00 1.23 C ATOM 1086 O THR A 69 18.247 30.727 1.857 1.00 1.07 O ATOM 1087 CB THR A 69 20.143 30.392 3.832 1.00 1.61 C ATOM 1088 OG1 THR A 69 20.856 29.571 4.741 1.00 2.20 O ATOM 1089 CG2 THR A 69 20.848 31.743 3.631 1.00 2.05 C ATOM 0 H THR A 69 18.933 28.536 4.800 1.00 1.46 H new ATOM 0 HA THR A 69 18.492 31.392 4.892 1.00 1.38 H new ATOM 0 HB THR A 69 20.141 29.901 2.859 1.00 1.61 H new ATOM 0 HG1 THR A 69 21.790 29.500 4.454 1.00 2.20 H new ATOM 0 HG21 THR A 69 21.886 31.573 3.345 1.00 2.05 H new ATOM 0 HG22 THR A 69 20.343 32.304 2.845 1.00 2.05 H new ATOM 0 HG23 THR A 69 20.816 32.312 4.560 1.00 2.05 H new ATOM 1097 N ALA A 70 16.485 31.080 3.199 1.00 1.37 N ATOM 1098 CA ALA A 70 15.615 31.402 2.055 1.00 1.34 C ATOM 1099 C ALA A 70 16.293 31.123 0.675 1.00 1.24 C ATOM 1100 O ALA A 70 15.679 30.791 -0.328 1.00 1.18 O ATOM 1101 CB ALA A 70 15.181 32.872 2.144 1.00 1.64 C ATOM 0 H ALA A 70 16.027 31.097 4.110 1.00 1.37 H new ATOM 0 HA ALA A 70 14.746 30.746 2.112 1.00 1.34 H new ATOM 0 HB1 ALA A 70 14.537 33.113 1.298 1.00 1.64 H new ATOM 0 HB2 ALA A 70 14.636 33.035 3.074 1.00 1.64 H new ATOM 0 HB3 ALA A 70 16.062 33.513 2.123 1.00 1.64 H new ATOM 1107 N GLN A 71 17.644 31.232 0.727 1.00 1.32 N ATOM 1108 CA GLN A 71 18.389 31.060 -0.536 1.00 1.38 C ATOM 1109 C GLN A 71 18.494 29.558 -0.918 1.00 1.20 C ATOM 1110 O GLN A 71 18.163 29.102 -2.011 1.00 1.21 O ATOM 1111 CB GLN A 71 19.794 31.653 -0.298 1.00 1.63 C ATOM 1112 CG GLN A 71 20.690 31.712 -1.544 1.00 2.08 C ATOM 1113 CD GLN A 71 20.282 32.877 -2.442 1.00 2.14 C ATOM 1114 OE1 GLN A 71 20.668 34.010 -2.227 1.00 2.55 O ATOM 1115 NE2 GLN A 71 19.462 32.552 -3.446 1.00 2.13 N ATOM 0 HA GLN A 71 17.879 31.562 -1.358 1.00 1.38 H new ATOM 0 HB2 GLN A 71 19.684 32.661 0.101 1.00 1.63 H new ATOM 0 HB3 GLN A 71 20.298 31.061 0.466 1.00 1.63 H new ATOM 0 HG2 GLN A 71 21.732 31.824 -1.245 1.00 2.08 H new ATOM 0 HG3 GLN A 71 20.616 30.776 -2.097 1.00 2.08 H new ATOM 0 HE21 GLN A 71 19.173 31.582 -3.575 1.00 2.13 H new ATOM 0 HE22 GLN A 71 19.125 33.274 -4.083 1.00 2.13 H new ATOM 1124 N GLN A 72 18.983 28.812 0.089 1.00 1.14 N ATOM 1125 CA GLN A 72 19.092 27.363 0.047 1.00 1.17 C ATOM 1126 C GLN A 72 17.710 26.738 -0.215 1.00 1.00 C ATOM 1127 O GLN A 72 17.575 25.706 -0.854 1.00 1.07 O ATOM 1128 CB GLN A 72 19.658 26.857 1.388 1.00 1.31 C ATOM 1129 CG GLN A 72 21.126 27.257 1.644 1.00 2.18 C ATOM 1130 CD GLN A 72 22.111 26.408 0.820 1.00 2.84 C ATOM 1131 OE1 GLN A 72 21.739 25.445 0.158 1.00 3.12 O ATOM 1132 NE2 GLN A 72 23.382 26.801 0.899 1.00 3.65 N ATOM 0 H GLN A 72 19.316 29.217 0.964 1.00 1.14 H new ATOM 0 HA GLN A 72 19.763 27.072 -0.761 1.00 1.17 H new ATOM 0 HB2 GLN A 72 19.041 27.243 2.199 1.00 1.31 H new ATOM 0 HB3 GLN A 72 19.579 25.770 1.417 1.00 1.31 H new ATOM 0 HG2 GLN A 72 21.262 28.310 1.398 1.00 2.18 H new ATOM 0 HG3 GLN A 72 21.352 27.146 2.705 1.00 2.18 H new ATOM 0 HE21 GLN A 72 23.631 27.611 1.467 1.00 3.65 H new ATOM 0 HE22 GLN A 72 24.106 26.292 0.392 1.00 3.65 H new ATOM 1141 N PHE A 73 16.684 27.479 0.255 1.00 0.90 N ATOM 1142 CA PHE A 73 15.293 27.068 0.060 1.00 0.88 C ATOM 1143 C PHE A 73 14.970 26.971 -1.448 1.00 0.83 C ATOM 1144 O PHE A 73 14.289 26.066 -1.916 1.00 0.83 O ATOM 1145 CB PHE A 73 14.361 28.034 0.815 1.00 0.99 C ATOM 1146 CG PHE A 73 12.914 27.612 0.915 1.00 1.13 C ATOM 1147 CD1 PHE A 73 12.528 26.273 0.980 1.00 1.55 C ATOM 1148 CD2 PHE A 73 11.930 28.597 0.978 1.00 1.85 C ATOM 1149 CE1 PHE A 73 11.188 25.927 1.112 1.00 1.66 C ATOM 1150 CE2 PHE A 73 10.592 28.255 1.113 1.00 2.02 C ATOM 1151 CZ PHE A 73 10.220 26.919 1.181 1.00 1.49 C ATOM 0 H PHE A 73 16.799 28.354 0.766 1.00 0.90 H new ATOM 0 HA PHE A 73 15.133 26.073 0.475 1.00 0.88 H new ATOM 0 HB2 PHE A 73 14.750 28.169 1.824 1.00 0.99 H new ATOM 0 HB3 PHE A 73 14.403 29.006 0.324 1.00 0.99 H new ATOM 0 HD1 PHE A 73 13.278 25.497 0.927 1.00 1.55 H new ATOM 0 HD2 PHE A 73 12.212 29.638 0.921 1.00 1.85 H new ATOM 0 HE1 PHE A 73 10.901 24.887 1.161 1.00 1.66 H new ATOM 0 HE2 PHE A 73 9.840 29.028 1.165 1.00 2.02 H new ATOM 0 HZ PHE A 73 9.179 26.652 1.287 1.00 1.49 H new ATOM 1161 N HIS A 74 15.522 27.931 -2.211 1.00 0.87 N ATOM 1162 CA HIS A 74 15.229 27.924 -3.645 1.00 0.91 C ATOM 1163 C HIS A 74 15.685 26.590 -4.307 1.00 0.83 C ATOM 1164 O HIS A 74 15.050 26.043 -5.213 1.00 0.82 O ATOM 1165 CB HIS A 74 15.928 29.135 -4.284 1.00 1.05 C ATOM 1166 CG HIS A 74 15.195 29.564 -5.533 1.00 1.25 C ATOM 1167 ND1 HIS A 74 14.357 28.771 -6.238 1.00 1.32 N ATOM 1168 CD2 HIS A 74 15.238 30.826 -6.146 1.00 1.82 C ATOM 1169 CE1 HIS A 74 13.901 29.527 -7.248 1.00 1.48 C ATOM 1170 NE2 HIS A 74 14.416 30.771 -7.217 1.00 1.87 N ATOM 0 H HIS A 74 16.136 28.676 -1.881 1.00 0.87 H new ATOM 0 HA HIS A 74 14.153 27.997 -3.803 1.00 0.91 H new ATOM 0 HB2 HIS A 74 15.963 29.960 -3.573 1.00 1.05 H new ATOM 0 HB3 HIS A 74 16.959 28.881 -4.528 1.00 1.05 H new ATOM 0 HD1 HIS A 74 14.120 27.798 -6.042 1.00 1.32 H new ATOM 0 HD2 HIS A 74 15.817 31.678 -5.823 1.00 1.82 H new ATOM 0 HE1 HIS A 74 13.204 29.180 -7.996 1.00 1.48 H new ATOM 1178 N ARG A 75 16.824 26.102 -3.772 1.00 0.81 N ATOM 1179 CA ARG A 75 17.382 24.858 -4.265 1.00 0.78 C ATOM 1180 C ARG A 75 16.435 23.701 -3.919 1.00 0.68 C ATOM 1181 O ARG A 75 16.074 22.878 -4.751 1.00 0.67 O ATOM 1182 CB ARG A 75 18.814 24.629 -3.757 1.00 0.89 C ATOM 1183 CG ARG A 75 19.620 23.855 -4.810 1.00 1.25 C ATOM 1184 CD ARG A 75 20.948 23.301 -4.285 1.00 1.69 C ATOM 1185 NE ARG A 75 21.954 24.351 -4.156 1.00 1.72 N ATOM 1186 CZ ARG A 75 22.674 24.758 -5.233 1.00 1.96 C ATOM 1187 NH1 ARG A 75 22.351 24.382 -6.465 1.00 2.61 N ATOM 1188 NH2 ARG A 75 23.722 25.549 -5.043 1.00 2.28 N ATOM 0 H ARG A 75 17.351 26.547 -3.021 1.00 0.81 H new ATOM 0 HA ARG A 75 17.467 24.912 -5.350 1.00 0.78 H new ATOM 0 HB2 ARG A 75 19.294 25.586 -3.549 1.00 0.89 H new ATOM 0 HB3 ARG A 75 18.793 24.073 -2.820 1.00 0.89 H new ATOM 0 HG2 ARG A 75 19.014 23.029 -5.183 1.00 1.25 H new ATOM 0 HG3 ARG A 75 19.820 24.512 -5.657 1.00 1.25 H new ATOM 0 HD2 ARG A 75 20.788 22.828 -3.316 1.00 1.69 H new ATOM 0 HD3 ARG A 75 21.313 22.527 -4.961 1.00 1.69 H new ATOM 0 HE ARG A 75 22.118 24.784 -3.247 1.00 1.72 H new ATOM 0 HH11 ARG A 75 21.546 23.774 -6.618 1.00 2.61 H new ATOM 0 HH12 ARG A 75 22.908 24.701 -7.258 1.00 2.61 H new ATOM 0 HH21 ARG A 75 23.976 25.842 -4.099 1.00 2.28 H new ATOM 0 HH22 ARG A 75 24.274 25.864 -5.841 1.00 2.28 H new ATOM 1202 N HIS A 76 15.998 23.705 -2.646 1.00 0.73 N ATOM 1203 CA HIS A 76 15.047 22.685 -2.183 1.00 0.75 C ATOM 1204 C HIS A 76 13.876 22.540 -3.183 1.00 0.70 C ATOM 1205 O HIS A 76 13.609 21.466 -3.725 1.00 0.71 O ATOM 1206 CB HIS A 76 14.596 22.980 -0.742 1.00 0.90 C ATOM 1207 CG HIS A 76 13.923 21.743 -0.191 1.00 0.85 C ATOM 1208 ND1 HIS A 76 14.546 20.755 0.500 1.00 1.19 N ATOM 1209 CD2 HIS A 76 12.573 21.391 -0.346 1.00 0.97 C ATOM 1210 CE1 HIS A 76 13.601 19.833 0.751 1.00 1.48 C ATOM 1211 NE2 HIS A 76 12.400 20.187 0.245 1.00 1.36 N ATOM 0 H HIS A 76 16.280 24.384 -1.939 1.00 0.73 H new ATOM 0 HA HIS A 76 15.541 21.714 -2.152 1.00 0.75 H new ATOM 0 HB2 HIS A 76 15.452 23.253 -0.125 1.00 0.90 H new ATOM 0 HB3 HIS A 76 13.908 23.826 -0.725 1.00 0.90 H new ATOM 0 HD1 HIS A 76 15.528 20.720 0.772 1.00 1.19 H new ATOM 0 HD2 HIS A 76 11.813 21.974 -0.845 1.00 0.97 H new ATOM 0 HE1 HIS A 76 13.781 18.917 1.294 1.00 1.48 H new ATOM 1219 N LYS A 77 13.241 23.702 -3.465 1.00 0.72 N ATOM 1220 CA LYS A 77 12.134 23.676 -4.421 1.00 0.75 C ATOM 1221 C LYS A 77 12.615 23.129 -5.773 1.00 0.70 C ATOM 1222 O LYS A 77 11.975 22.293 -6.378 1.00 0.71 O ATOM 1223 CB LYS A 77 11.536 25.092 -4.603 1.00 0.87 C ATOM 1224 CG LYS A 77 10.816 25.646 -3.357 1.00 1.51 C ATOM 1225 CD LYS A 77 10.273 27.084 -3.542 1.00 1.99 C ATOM 1226 CE LYS A 77 8.840 27.178 -4.111 1.00 2.62 C ATOM 1227 NZ LYS A 77 8.422 28.549 -4.463 1.00 3.19 N ATOM 0 H LYS A 77 13.465 24.614 -3.066 1.00 0.72 H new ATOM 0 HA LYS A 77 11.356 23.020 -4.029 1.00 0.75 H new ATOM 0 HB2 LYS A 77 12.337 25.778 -4.880 1.00 0.87 H new ATOM 0 HB3 LYS A 77 10.832 25.071 -5.435 1.00 0.87 H new ATOM 0 HG2 LYS A 77 9.988 24.984 -3.102 1.00 1.51 H new ATOM 0 HG3 LYS A 77 11.506 25.633 -2.513 1.00 1.51 H new ATOM 0 HD2 LYS A 77 10.298 27.591 -2.578 1.00 1.99 H new ATOM 0 HD3 LYS A 77 10.946 27.627 -4.205 1.00 1.99 H new ATOM 0 HE2 LYS A 77 8.771 26.549 -4.999 1.00 2.62 H new ATOM 0 HE3 LYS A 77 8.142 26.773 -3.378 1.00 2.62 H new ATOM 0 HZ1 LYS A 77 7.452 28.531 -4.837 1.00 3.19 H new ATOM 0 HZ2 LYS A 77 8.455 29.150 -3.615 1.00 3.19 H new ATOM 0 HZ3 LYS A 77 9.064 28.933 -5.185 1.00 3.19 H new ATOM 1241 N GLN A 78 13.792 23.607 -6.206 1.00 0.70 N ATOM 1242 CA GLN A 78 14.359 23.195 -7.496 1.00 0.71 C ATOM 1243 C GLN A 78 14.486 21.667 -7.652 1.00 0.62 C ATOM 1244 O GLN A 78 13.986 21.098 -8.619 1.00 0.61 O ATOM 1245 CB GLN A 78 15.709 23.902 -7.639 1.00 0.79 C ATOM 1246 CG GLN A 78 16.569 23.617 -8.882 1.00 1.26 C ATOM 1247 CD GLN A 78 17.940 24.245 -8.581 1.00 1.78 C ATOM 1248 OE1 GLN A 78 18.052 25.065 -7.678 1.00 2.51 O ATOM 1249 NE2 GLN A 78 18.945 23.815 -9.328 1.00 2.19 N ATOM 0 H GLN A 78 14.364 24.273 -5.686 1.00 0.70 H new ATOM 0 HA GLN A 78 13.681 23.487 -8.298 1.00 0.71 H new ATOM 0 HB2 GLN A 78 15.524 24.976 -7.605 1.00 0.79 H new ATOM 0 HB3 GLN A 78 16.306 23.654 -6.761 1.00 0.79 H new ATOM 0 HG2 GLN A 78 16.658 22.546 -9.061 1.00 1.26 H new ATOM 0 HG3 GLN A 78 16.124 24.054 -9.776 1.00 1.26 H new ATOM 0 HE21 GLN A 78 18.776 23.129 -10.064 1.00 2.19 H new ATOM 0 HE22 GLN A 78 19.888 24.170 -9.168 1.00 2.19 H new ATOM 1258 N LEU A 79 15.156 21.030 -6.676 1.00 0.61 N ATOM 1259 CA LEU A 79 15.329 19.582 -6.695 1.00 0.60 C ATOM 1260 C LEU A 79 13.934 18.950 -6.690 1.00 0.56 C ATOM 1261 O LEU A 79 13.549 18.333 -7.666 1.00 0.55 O ATOM 1262 CB LEU A 79 16.208 19.136 -5.508 1.00 0.70 C ATOM 1263 CG LEU A 79 17.716 19.412 -5.739 1.00 1.24 C ATOM 1264 CD1 LEU A 79 18.329 20.274 -4.630 1.00 1.96 C ATOM 1265 CD2 LEU A 79 18.515 18.107 -5.886 1.00 1.69 C ATOM 0 H LEU A 79 15.580 21.497 -5.874 1.00 0.61 H new ATOM 0 HA LEU A 79 15.853 19.250 -7.591 1.00 0.60 H new ATOM 0 HB2 LEU A 79 15.883 19.654 -4.606 1.00 0.70 H new ATOM 0 HB3 LEU A 79 16.061 18.070 -5.334 1.00 0.70 H new ATOM 0 HG LEU A 79 17.780 19.970 -6.673 1.00 1.24 H new ATOM 0 HD11 LEU A 79 19.386 20.438 -4.839 1.00 1.96 H new ATOM 0 HD12 LEU A 79 17.814 21.234 -4.589 1.00 1.96 H new ATOM 0 HD13 LEU A 79 18.223 19.764 -3.672 1.00 1.96 H new ATOM 0 HD21 LEU A 79 19.567 18.341 -6.047 1.00 1.69 H new ATOM 0 HD22 LEU A 79 18.410 17.512 -4.979 1.00 1.69 H new ATOM 0 HD23 LEU A 79 18.135 17.542 -6.737 1.00 1.69 H new ATOM 1277 N ILE A 80 13.162 19.238 -5.617 1.00 0.59 N ATOM 1278 CA ILE A 80 11.786 18.731 -5.466 1.00 0.62 C ATOM 1279 C ILE A 80 10.910 18.878 -6.754 1.00 0.60 C ATOM 1280 O ILE A 80 10.074 18.036 -7.069 1.00 0.62 O ATOM 1281 CB ILE A 80 11.143 19.324 -4.170 1.00 0.73 C ATOM 1282 CG1 ILE A 80 11.709 18.637 -2.900 1.00 1.11 C ATOM 1283 CG2 ILE A 80 9.608 19.270 -4.132 1.00 1.39 C ATOM 1284 CD1 ILE A 80 10.790 18.671 -1.654 1.00 1.57 C ATOM 0 H ILE A 80 13.474 19.822 -4.841 1.00 0.59 H new ATOM 0 HA ILE A 80 11.836 17.650 -5.338 1.00 0.62 H new ATOM 0 HB ILE A 80 11.417 20.379 -4.188 1.00 0.73 H new ATOM 0 HG12 ILE A 80 11.928 17.596 -3.139 1.00 1.11 H new ATOM 0 HG13 ILE A 80 12.656 19.112 -2.644 1.00 1.11 H new ATOM 0 HG21 ILE A 80 9.252 19.703 -3.197 1.00 1.39 H new ATOM 0 HG22 ILE A 80 9.203 19.836 -4.971 1.00 1.39 H new ATOM 0 HG23 ILE A 80 9.279 18.233 -4.201 1.00 1.39 H new ATOM 0 HD11 ILE A 80 11.283 18.163 -0.825 1.00 1.57 H new ATOM 0 HD12 ILE A 80 10.589 19.706 -1.378 1.00 1.57 H new ATOM 0 HD13 ILE A 80 9.850 18.167 -1.881 1.00 1.57 H new ATOM 1296 N ARG A 81 11.139 19.963 -7.486 1.00 0.61 N ATOM 1297 CA ARG A 81 10.378 20.213 -8.695 1.00 0.64 C ATOM 1298 C ARG A 81 10.817 19.254 -9.821 1.00 0.60 C ATOM 1299 O ARG A 81 10.013 18.750 -10.598 1.00 0.62 O ATOM 1300 CB ARG A 81 10.615 21.684 -9.080 1.00 0.71 C ATOM 1301 CG ARG A 81 9.790 22.193 -10.268 1.00 0.85 C ATOM 1302 CD ARG A 81 10.144 23.652 -10.590 1.00 1.37 C ATOM 1303 NE ARG A 81 9.381 24.124 -11.743 1.00 1.67 N ATOM 1304 CZ ARG A 81 8.265 24.879 -11.679 1.00 2.10 C ATOM 1305 NH1 ARG A 81 7.847 25.371 -10.511 1.00 2.53 N ATOM 1306 NH2 ARG A 81 7.592 25.134 -12.800 1.00 2.82 N ATOM 0 H ARG A 81 11.837 20.673 -7.264 1.00 0.61 H new ATOM 0 HA ARG A 81 9.315 20.034 -8.533 1.00 0.64 H new ATOM 0 HB2 ARG A 81 10.397 22.308 -8.214 1.00 0.71 H new ATOM 0 HB3 ARG A 81 11.672 21.816 -9.310 1.00 0.71 H new ATOM 0 HG2 ARG A 81 9.976 21.567 -11.141 1.00 0.85 H new ATOM 0 HG3 ARG A 81 8.727 22.113 -10.040 1.00 0.85 H new ATOM 0 HD2 ARG A 81 9.934 24.282 -9.726 1.00 1.37 H new ATOM 0 HD3 ARG A 81 11.211 23.736 -10.794 1.00 1.37 H new ATOM 0 HE ARG A 81 9.719 23.862 -12.669 1.00 1.67 H new ATOM 0 HH11 ARG A 81 8.372 25.177 -9.659 1.00 2.53 H new ATOM 0 HH12 ARG A 81 7.002 25.941 -10.471 1.00 2.53 H new ATOM 0 HH21 ARG A 81 7.923 24.760 -13.690 1.00 2.82 H new ATOM 0 HH22 ARG A 81 6.746 25.703 -12.769 1.00 2.82 H new ATOM 1320 N PHE A 82 12.136 19.027 -9.879 1.00 0.58 N ATOM 1321 CA PHE A 82 12.654 18.138 -10.919 1.00 0.60 C ATOM 1322 C PHE A 82 12.340 16.674 -10.611 1.00 0.56 C ATOM 1323 O PHE A 82 12.049 15.875 -11.494 1.00 0.57 O ATOM 1324 CB PHE A 82 14.180 18.291 -11.045 1.00 0.65 C ATOM 1325 CG PHE A 82 14.551 19.430 -11.947 1.00 1.07 C ATOM 1326 CD1 PHE A 82 14.257 19.364 -13.307 1.00 1.83 C ATOM 1327 CD2 PHE A 82 15.193 20.557 -11.443 1.00 1.69 C ATOM 1328 CE1 PHE A 82 14.585 20.416 -14.150 1.00 2.24 C ATOM 1329 CE2 PHE A 82 15.521 21.610 -12.286 1.00 2.07 C ATOM 1330 CZ PHE A 82 15.214 21.541 -13.637 1.00 2.05 C ATOM 0 H PHE A 82 12.833 19.426 -9.250 1.00 0.58 H new ATOM 0 HA PHE A 82 12.168 18.420 -11.853 1.00 0.60 H new ATOM 0 HB2 PHE A 82 14.612 18.453 -10.058 1.00 0.65 H new ATOM 0 HB3 PHE A 82 14.608 17.366 -11.432 1.00 0.65 H new ATOM 0 HD1 PHE A 82 13.770 18.487 -13.708 1.00 1.83 H new ATOM 0 HD2 PHE A 82 15.437 20.613 -10.392 1.00 1.69 H new ATOM 0 HE1 PHE A 82 14.351 20.359 -15.203 1.00 2.24 H new ATOM 0 HE2 PHE A 82 16.016 22.484 -11.889 1.00 2.07 H new ATOM 0 HZ PHE A 82 15.465 22.364 -14.290 1.00 2.05 H new ATOM 1340 N LEU A 83 12.454 16.400 -9.296 1.00 0.53 N ATOM 1341 CA LEU A 83 12.141 15.093 -8.747 1.00 0.52 C ATOM 1342 C LEU A 83 10.652 14.810 -9.052 1.00 0.54 C ATOM 1343 O LEU A 83 10.260 13.680 -9.303 1.00 0.57 O ATOM 1344 CB LEU A 83 12.473 15.065 -7.251 1.00 0.54 C ATOM 1345 CG LEU A 83 13.985 15.175 -6.968 1.00 0.54 C ATOM 1346 CD1 LEU A 83 14.230 15.533 -5.500 1.00 1.36 C ATOM 1347 CD2 LEU A 83 14.724 13.872 -7.317 1.00 1.31 C ATOM 0 H LEU A 83 12.764 17.080 -8.602 1.00 0.53 H new ATOM 0 HA LEU A 83 12.741 14.303 -9.200 1.00 0.52 H new ATOM 0 HB2 LEU A 83 11.955 15.885 -6.754 1.00 0.54 H new ATOM 0 HB3 LEU A 83 12.094 14.140 -6.817 1.00 0.54 H new ATOM 0 HG LEU A 83 14.379 15.968 -7.604 1.00 0.54 H new ATOM 0 HD11 LEU A 83 15.302 15.607 -5.317 1.00 1.36 H new ATOM 0 HD12 LEU A 83 13.757 16.489 -5.275 1.00 1.36 H new ATOM 0 HD13 LEU A 83 13.806 14.759 -4.861 1.00 1.36 H new ATOM 0 HD21 LEU A 83 15.787 13.988 -7.104 1.00 1.31 H new ATOM 0 HD22 LEU A 83 14.322 13.054 -6.719 1.00 1.31 H new ATOM 0 HD23 LEU A 83 14.588 13.649 -8.375 1.00 1.31 H new ATOM 1359 N LYS A 84 9.833 15.884 -9.085 1.00 0.62 N ATOM 1360 CA LYS A 84 8.465 15.698 -9.548 1.00 0.65 C ATOM 1361 C LYS A 84 8.414 15.242 -11.016 1.00 0.61 C ATOM 1362 O LYS A 84 7.642 14.364 -11.379 1.00 0.59 O ATOM 1363 CB LYS A 84 7.606 16.981 -9.436 1.00 0.75 C ATOM 1364 CG LYS A 84 6.135 16.748 -9.857 1.00 0.79 C ATOM 1365 CD LYS A 84 5.176 17.918 -9.570 1.00 1.12 C ATOM 1366 CE LYS A 84 3.698 17.468 -9.605 1.00 1.42 C ATOM 1367 NZ LYS A 84 2.707 18.532 -9.862 1.00 1.85 N ATOM 0 H LYS A 84 10.086 16.833 -8.811 1.00 0.62 H new ATOM 0 HA LYS A 84 8.056 14.930 -8.892 1.00 0.65 H new ATOM 0 HB2 LYS A 84 7.633 17.344 -8.409 1.00 0.75 H new ATOM 0 HB3 LYS A 84 8.040 17.761 -10.061 1.00 0.75 H new ATOM 0 HG2 LYS A 84 6.110 16.533 -10.925 1.00 0.79 H new ATOM 0 HG3 LYS A 84 5.764 15.861 -9.344 1.00 0.79 H new ATOM 0 HD2 LYS A 84 5.404 18.344 -8.593 1.00 1.12 H new ATOM 0 HD3 LYS A 84 5.334 18.707 -10.306 1.00 1.12 H new ATOM 0 HE2 LYS A 84 3.589 16.703 -10.374 1.00 1.42 H new ATOM 0 HE3 LYS A 84 3.459 16.998 -8.651 1.00 1.42 H new ATOM 0 HZ1 LYS A 84 1.751 18.123 -9.864 1.00 1.85 H new ATOM 0 HZ2 LYS A 84 2.772 19.255 -9.117 1.00 1.85 H new ATOM 0 HZ3 LYS A 84 2.899 18.969 -10.786 1.00 1.85 H new ATOM 1381 N ARG A 85 9.250 15.897 -11.853 1.00 0.65 N ATOM 1382 CA ARG A 85 9.247 15.473 -13.246 1.00 0.67 C ATOM 1383 C ARG A 85 9.552 13.978 -13.301 1.00 0.58 C ATOM 1384 O ARG A 85 8.765 13.188 -13.787 1.00 0.58 O ATOM 1385 CB ARG A 85 10.221 16.280 -14.132 1.00 0.77 C ATOM 1386 CG ARG A 85 9.922 17.789 -14.174 1.00 1.37 C ATOM 1387 CD ARG A 85 10.820 18.557 -15.165 1.00 1.92 C ATOM 1388 NE ARG A 85 10.395 18.343 -16.554 1.00 2.52 N ATOM 1389 CZ ARG A 85 11.227 18.462 -17.633 1.00 3.01 C ATOM 1390 NH1 ARG A 85 12.537 18.692 -17.475 1.00 3.46 N ATOM 1391 NH2 ARG A 85 10.714 18.349 -18.861 1.00 3.58 N ATOM 0 H ARG A 85 9.882 16.658 -11.606 1.00 0.65 H new ATOM 0 HA ARG A 85 8.257 15.670 -13.658 1.00 0.67 H new ATOM 0 HB2 ARG A 85 11.237 16.131 -13.767 1.00 0.77 H new ATOM 0 HB3 ARG A 85 10.186 15.884 -15.147 1.00 0.77 H new ATOM 0 HG2 ARG A 85 8.878 17.939 -14.448 1.00 1.37 H new ATOM 0 HG3 ARG A 85 10.053 18.207 -13.176 1.00 1.37 H new ATOM 0 HD2 ARG A 85 10.790 19.622 -14.934 1.00 1.92 H new ATOM 0 HD3 ARG A 85 11.854 18.234 -15.046 1.00 1.92 H new ATOM 0 HE ARG A 85 9.422 18.091 -16.724 1.00 2.52 H new ATOM 0 HH11 ARG A 85 12.930 18.781 -16.538 1.00 3.46 H new ATOM 0 HH12 ARG A 85 13.142 18.778 -18.292 1.00 3.46 H new ATOM 0 HH21 ARG A 85 9.716 18.177 -18.983 1.00 3.58 H new ATOM 0 HH22 ARG A 85 11.320 18.435 -19.677 1.00 3.58 H new ATOM 1405 N LEU A 86 10.680 13.663 -12.656 1.00 0.55 N ATOM 1406 CA LEU A 86 11.129 12.286 -12.572 1.00 0.51 C ATOM 1407 C LEU A 86 10.051 11.322 -12.044 1.00 0.49 C ATOM 1408 O LEU A 86 9.926 10.215 -12.538 1.00 0.51 O ATOM 1409 CB LEU A 86 12.394 12.243 -11.699 1.00 0.54 C ATOM 1410 CG LEU A 86 13.079 10.866 -11.648 1.00 0.61 C ATOM 1411 CD1 LEU A 86 13.500 10.369 -13.039 1.00 0.76 C ATOM 1412 CD2 LEU A 86 14.262 10.905 -10.675 1.00 0.64 C ATOM 0 H LEU A 86 11.286 14.340 -12.193 1.00 0.55 H new ATOM 0 HA LEU A 86 11.350 11.937 -13.581 1.00 0.51 H new ATOM 0 HB2 LEU A 86 13.107 12.977 -12.075 1.00 0.54 H new ATOM 0 HB3 LEU A 86 12.132 12.544 -10.685 1.00 0.54 H new ATOM 0 HG LEU A 86 12.351 10.143 -11.280 1.00 0.61 H new ATOM 0 HD11 LEU A 86 13.978 9.394 -12.948 1.00 0.76 H new ATOM 0 HD12 LEU A 86 12.620 10.283 -13.676 1.00 0.76 H new ATOM 0 HD13 LEU A 86 14.201 11.077 -13.482 1.00 0.76 H new ATOM 0 HD21 LEU A 86 14.741 9.926 -10.645 1.00 0.64 H new ATOM 0 HD22 LEU A 86 14.983 11.652 -11.008 1.00 0.64 H new ATOM 0 HD23 LEU A 86 13.905 11.165 -9.678 1.00 0.64 H new ATOM 1424 N ASP A 87 9.295 11.759 -11.030 1.00 0.51 N ATOM 1425 CA ASP A 87 8.285 10.860 -10.472 1.00 0.54 C ATOM 1426 C ASP A 87 7.226 10.550 -11.545 1.00 0.55 C ATOM 1427 O ASP A 87 7.083 9.428 -12.031 1.00 0.58 O ATOM 1428 CB ASP A 87 7.679 11.509 -9.225 1.00 0.61 C ATOM 1429 CG ASP A 87 6.694 10.521 -8.613 1.00 0.76 C ATOM 1430 OD1 ASP A 87 7.146 9.525 -8.056 1.00 1.50 O ATOM 1431 OD2 ASP A 87 5.491 10.744 -8.727 1.00 1.07 O ATOM 0 H ASP A 87 9.357 12.681 -10.599 1.00 0.51 H new ATOM 0 HA ASP A 87 8.731 9.911 -10.173 1.00 0.54 H new ATOM 0 HB2 ASP A 87 8.461 11.761 -8.508 1.00 0.61 H new ATOM 0 HB3 ASP A 87 7.174 12.439 -9.486 1.00 0.61 H new ATOM 1436 N ARG A 88 6.567 11.653 -11.941 1.00 0.56 N ATOM 1437 CA ARG A 88 5.508 11.602 -12.934 1.00 0.60 C ATOM 1438 C ARG A 88 5.955 10.979 -14.286 1.00 0.58 C ATOM 1439 O ARG A 88 5.115 10.550 -15.059 1.00 0.60 O ATOM 1440 CB ARG A 88 4.928 13.007 -13.148 1.00 0.67 C ATOM 1441 CG ARG A 88 3.843 13.353 -12.105 1.00 1.25 C ATOM 1442 CD ARG A 88 2.795 14.355 -12.605 1.00 1.70 C ATOM 1443 NE ARG A 88 2.198 13.839 -13.839 1.00 2.40 N ATOM 1444 CZ ARG A 88 0.913 13.932 -14.227 1.00 2.93 C ATOM 1445 NH1 ARG A 88 0.020 14.476 -13.413 1.00 3.31 N ATOM 1446 NH2 ARG A 88 0.551 13.473 -15.418 1.00 3.63 N ATOM 0 H ARG A 88 6.758 12.588 -11.581 1.00 0.56 H new ATOM 0 HA ARG A 88 4.737 10.939 -12.541 1.00 0.60 H new ATOM 0 HB2 ARG A 88 5.731 13.742 -13.093 1.00 0.67 H new ATOM 0 HB3 ARG A 88 4.502 13.074 -14.149 1.00 0.67 H new ATOM 0 HG2 ARG A 88 3.338 12.435 -11.803 1.00 1.25 H new ATOM 0 HG3 ARG A 88 4.325 13.760 -11.216 1.00 1.25 H new ATOM 0 HD2 ARG A 88 2.025 14.505 -11.848 1.00 1.70 H new ATOM 0 HD3 ARG A 88 3.257 15.325 -12.787 1.00 1.70 H new ATOM 0 HE ARG A 88 2.829 13.354 -14.477 1.00 2.40 H new ATOM 0 HH11 ARG A 88 0.308 14.822 -12.498 1.00 3.31 H new ATOM 0 HH12 ARG A 88 -0.956 14.549 -13.702 1.00 3.31 H new ATOM 0 HH21 ARG A 88 1.246 13.052 -16.035 1.00 3.63 H new ATOM 0 HH22 ARG A 88 -0.422 13.541 -15.717 1.00 3.63 H new ATOM 1460 N ASN A 89 7.259 10.992 -14.568 1.00 0.57 N ATOM 1461 CA ASN A 89 7.779 10.591 -15.879 1.00 0.60 C ATOM 1462 C ASN A 89 8.632 9.308 -15.763 1.00 0.57 C ATOM 1463 O ASN A 89 9.105 8.737 -16.748 1.00 0.63 O ATOM 1464 CB ASN A 89 8.712 11.759 -16.287 1.00 0.64 C ATOM 1465 CG ASN A 89 9.456 11.663 -17.620 1.00 1.83 C ATOM 1466 OD1 ASN A 89 10.535 12.226 -17.785 1.00 2.59 O ATOM 1467 ND2 ASN A 89 8.892 10.884 -18.548 1.00 2.61 N ATOM 0 H ASN A 89 7.978 11.277 -13.903 1.00 0.57 H new ATOM 0 HA ASN A 89 6.975 10.393 -16.588 1.00 0.60 H new ATOM 0 HB2 ASN A 89 8.115 12.671 -16.305 1.00 0.64 H new ATOM 0 HB3 ASN A 89 9.456 11.881 -15.499 1.00 0.64 H new ATOM 0 HD21 ASN A 89 9.360 10.735 -19.442 1.00 2.61 H new ATOM 0 HD22 ASN A 89 7.994 10.438 -18.362 1.00 2.61 H new ATOM 1474 N LEU A 90 8.804 8.859 -14.513 1.00 0.54 N ATOM 1475 CA LEU A 90 9.366 7.536 -14.287 1.00 0.54 C ATOM 1476 C LEU A 90 8.277 6.550 -14.642 1.00 0.57 C ATOM 1477 O LEU A 90 8.547 5.525 -15.238 1.00 0.60 O ATOM 1478 CB LEU A 90 9.759 7.256 -12.822 1.00 0.52 C ATOM 1479 CG LEU A 90 11.271 7.256 -12.577 1.00 0.87 C ATOM 1480 CD1 LEU A 90 11.544 7.050 -11.088 1.00 1.14 C ATOM 1481 CD2 LEU A 90 11.988 6.163 -13.383 1.00 1.25 C ATOM 0 H LEU A 90 8.568 9.381 -13.669 1.00 0.54 H new ATOM 0 HA LEU A 90 10.275 7.456 -14.884 1.00 0.54 H new ATOM 0 HB2 LEU A 90 9.297 8.007 -12.182 1.00 0.52 H new ATOM 0 HB3 LEU A 90 9.352 6.289 -12.525 1.00 0.52 H new ATOM 0 HG LEU A 90 11.660 8.219 -12.907 1.00 0.87 H new ATOM 0 HD11 LEU A 90 12.620 7.050 -10.912 1.00 1.14 H new ATOM 0 HD12 LEU A 90 11.083 7.857 -10.519 1.00 1.14 H new ATOM 0 HD13 LEU A 90 11.124 6.096 -10.770 1.00 1.14 H new ATOM 0 HD21 LEU A 90 13.058 6.202 -13.177 1.00 1.25 H new ATOM 0 HD22 LEU A 90 11.599 5.186 -13.097 1.00 1.25 H new ATOM 0 HD23 LEU A 90 11.817 6.325 -14.447 1.00 1.25 H new ATOM 1493 N TRP A 91 7.032 6.914 -14.288 1.00 0.63 N ATOM 1494 CA TRP A 91 5.939 6.018 -14.646 1.00 0.69 C ATOM 1495 C TRP A 91 5.955 5.671 -16.153 1.00 0.74 C ATOM 1496 O TRP A 91 5.739 4.530 -16.528 1.00 0.79 O ATOM 1497 CB TRP A 91 4.566 6.543 -14.204 1.00 0.72 C ATOM 1498 CG TRP A 91 4.601 6.822 -12.722 1.00 0.71 C ATOM 1499 CD1 TRP A 91 4.698 8.074 -12.142 1.00 0.72 C ATOM 1500 CD2 TRP A 91 4.613 5.863 -11.631 1.00 0.71 C ATOM 1501 NE1 TRP A 91 4.792 7.970 -10.791 1.00 0.72 N ATOM 1502 CE2 TRP A 91 4.739 6.638 -10.443 1.00 0.71 C ATOM 1503 CE3 TRP A 91 4.543 4.514 -11.589 1.00 0.73 C ATOM 1504 CZ2 TRP A 91 4.793 5.994 -9.230 1.00 0.73 C ATOM 1505 CZ3 TRP A 91 4.592 3.859 -10.352 1.00 0.76 C ATOM 1506 CH2 TRP A 91 4.716 4.612 -9.188 1.00 0.75 C ATOM 0 H TRP A 91 6.775 7.765 -13.788 1.00 0.63 H new ATOM 0 HA TRP A 91 6.108 5.096 -14.091 1.00 0.69 H new ATOM 0 HB2 TRP A 91 4.316 7.451 -14.752 1.00 0.72 H new ATOM 0 HB3 TRP A 91 3.792 5.810 -14.431 1.00 0.72 H new ATOM 0 HD1 TRP A 91 4.699 9.006 -12.688 1.00 0.72 H new ATOM 0 HE1 TRP A 91 4.886 8.750 -10.141 1.00 0.72 H new ATOM 0 HE3 TRP A 91 4.450 3.945 -12.502 1.00 0.73 H new ATOM 0 HZ2 TRP A 91 4.895 6.561 -8.317 1.00 0.73 H new ATOM 0 HZ3 TRP A 91 4.534 2.782 -10.302 1.00 0.76 H new ATOM 0 HH2 TRP A 91 4.753 4.109 -8.233 1.00 0.75 H new ATOM 1517 N GLY A 92 6.249 6.665 -16.999 1.00 0.76 N ATOM 1518 CA GLY A 92 6.293 6.368 -18.431 1.00 0.85 C ATOM 1519 C GLY A 92 7.470 5.443 -18.834 1.00 0.86 C ATOM 1520 O GLY A 92 7.384 4.636 -19.762 1.00 0.89 O ATOM 0 H GLY A 92 6.450 7.630 -16.736 1.00 0.76 H new ATOM 0 HA2 GLY A 92 5.355 5.898 -18.726 1.00 0.85 H new ATOM 0 HA3 GLY A 92 6.369 7.303 -18.986 1.00 0.85 H new ATOM 1524 N LEU A 93 8.587 5.631 -18.110 1.00 0.86 N ATOM 1525 CA LEU A 93 9.802 4.901 -18.452 1.00 0.92 C ATOM 1526 C LEU A 93 9.743 3.453 -17.915 1.00 0.86 C ATOM 1527 O LEU A 93 10.381 2.544 -18.451 1.00 0.96 O ATOM 1528 CB LEU A 93 11.045 5.652 -17.941 1.00 1.01 C ATOM 1529 CG LEU A 93 12.380 4.960 -18.286 1.00 0.95 C ATOM 1530 CD1 LEU A 93 12.504 4.627 -19.777 1.00 1.11 C ATOM 1531 CD2 LEU A 93 13.573 5.797 -17.817 1.00 0.74 C ATOM 0 H LEU A 93 8.667 6.262 -17.312 1.00 0.86 H new ATOM 0 HA LEU A 93 9.878 4.840 -19.538 1.00 0.92 H new ATOM 0 HB2 LEU A 93 11.049 6.657 -18.363 1.00 1.01 H new ATOM 0 HB3 LEU A 93 10.972 5.760 -16.859 1.00 1.01 H new ATOM 0 HG LEU A 93 12.386 4.013 -17.747 1.00 0.95 H new ATOM 0 HD11 LEU A 93 13.462 4.142 -19.963 1.00 1.11 H new ATOM 0 HD12 LEU A 93 11.695 3.957 -20.069 1.00 1.11 H new ATOM 0 HD13 LEU A 93 12.443 5.545 -20.361 1.00 1.11 H new ATOM 0 HD21 LEU A 93 14.500 5.285 -18.074 1.00 0.74 H new ATOM 0 HD22 LEU A 93 13.549 6.771 -18.306 1.00 0.74 H new ATOM 0 HD23 LEU A 93 13.520 5.932 -16.737 1.00 0.74 H new ATOM 1543 N ALA A 94 8.972 3.308 -16.833 1.00 0.78 N ATOM 1544 CA ALA A 94 8.710 2.050 -16.158 1.00 0.82 C ATOM 1545 C ALA A 94 7.712 1.234 -16.986 1.00 1.02 C ATOM 1546 O ALA A 94 8.067 0.188 -17.517 1.00 1.31 O ATOM 1547 CB ALA A 94 8.186 2.329 -14.743 1.00 0.87 C ATOM 0 H ALA A 94 8.499 4.098 -16.393 1.00 0.78 H new ATOM 0 HA ALA A 94 9.627 1.468 -16.064 1.00 0.82 H new ATOM 0 HB1 ALA A 94 7.989 1.385 -14.235 1.00 0.87 H new ATOM 0 HB2 ALA A 94 8.932 2.893 -14.183 1.00 0.87 H new ATOM 0 HB3 ALA A 94 7.264 2.908 -14.804 1.00 0.87 H new ATOM 1553 N GLY A 95 6.495 1.793 -17.114 1.00 1.17 N ATOM 1554 CA GLY A 95 5.406 1.192 -17.867 1.00 1.60 C ATOM 1555 C GLY A 95 4.249 0.904 -16.910 1.00 1.45 C ATOM 1556 O GLY A 95 3.106 1.276 -17.148 1.00 1.70 O ATOM 0 H GLY A 95 6.248 2.686 -16.688 1.00 1.17 H new ATOM 0 HA2 GLY A 95 5.081 1.863 -18.662 1.00 1.60 H new ATOM 0 HA3 GLY A 95 5.740 0.271 -18.344 1.00 1.60 H new ATOM 1560 N LEU A 96 4.616 0.176 -15.849 1.00 1.13 N ATOM 1561 CA LEU A 96 3.595 -0.294 -14.921 1.00 1.05 C ATOM 1562 C LEU A 96 3.284 0.829 -13.924 1.00 0.96 C ATOM 1563 O LEU A 96 4.010 1.819 -13.837 1.00 1.01 O ATOM 1564 CB LEU A 96 4.113 -1.566 -14.212 1.00 1.10 C ATOM 1565 CG LEU A 96 3.008 -2.588 -13.885 1.00 1.28 C ATOM 1566 CD1 LEU A 96 2.523 -3.306 -15.153 1.00 1.77 C ATOM 1567 CD2 LEU A 96 3.485 -3.610 -12.847 1.00 1.81 C ATOM 0 H LEU A 96 5.574 -0.090 -15.621 1.00 1.13 H new ATOM 0 HA LEU A 96 2.673 -0.550 -15.443 1.00 1.05 H new ATOM 0 HB2 LEU A 96 4.862 -2.044 -14.844 1.00 1.10 H new ATOM 0 HB3 LEU A 96 4.613 -1.277 -13.288 1.00 1.10 H new ATOM 0 HG LEU A 96 2.170 -2.035 -13.461 1.00 1.28 H new ATOM 0 HD11 LEU A 96 1.743 -4.021 -14.891 1.00 1.77 H new ATOM 0 HD12 LEU A 96 2.123 -2.574 -15.855 1.00 1.77 H new ATOM 0 HD13 LEU A 96 3.358 -3.833 -15.615 1.00 1.77 H new ATOM 0 HD21 LEU A 96 2.683 -4.317 -12.637 1.00 1.81 H new ATOM 0 HD22 LEU A 96 4.350 -4.147 -13.236 1.00 1.81 H new ATOM 0 HD23 LEU A 96 3.762 -3.093 -11.928 1.00 1.81 H new ATOM 1579 N ASN A 97 2.177 0.607 -13.212 1.00 0.94 N ATOM 1580 CA ASN A 97 1.750 1.546 -12.190 1.00 0.96 C ATOM 1581 C ASN A 97 0.913 0.775 -11.172 1.00 1.01 C ATOM 1582 O ASN A 97 -0.233 1.093 -10.869 1.00 1.12 O ATOM 1583 CB ASN A 97 0.959 2.702 -12.830 1.00 1.07 C ATOM 1584 CG ASN A 97 0.537 3.774 -11.811 1.00 1.18 C ATOM 1585 OD1 ASN A 97 0.615 3.619 -10.601 1.00 1.73 O ATOM 1586 ND2 ASN A 97 0.058 4.887 -12.378 1.00 1.56 N ATOM 0 H ASN A 97 1.571 -0.206 -13.327 1.00 0.94 H new ATOM 0 HA ASN A 97 2.606 1.993 -11.685 1.00 0.96 H new ATOM 0 HB2 ASN A 97 1.567 3.166 -13.607 1.00 1.07 H new ATOM 0 HB3 ASN A 97 0.070 2.301 -13.318 1.00 1.07 H new ATOM 0 HD21 ASN A 97 -0.264 5.659 -11.794 1.00 1.56 H new ATOM 0 HD22 ASN A 97 0.015 4.964 -13.394 1.00 1.56 H new ATOM 1593 N SER A 98 1.574 -0.298 -10.711 1.00 1.03 N ATOM 1594 CA SER A 98 1.083 -1.086 -9.598 1.00 1.15 C ATOM 1595 C SER A 98 2.256 -1.922 -9.100 1.00 1.20 C ATOM 1596 O SER A 98 2.518 -3.024 -9.568 1.00 1.64 O ATOM 1597 CB SER A 98 -0.096 -1.988 -9.979 1.00 1.46 C ATOM 1598 OG SER A 98 -0.557 -2.620 -8.791 1.00 1.90 O ATOM 0 H SER A 98 2.455 -0.632 -11.103 1.00 1.03 H new ATOM 0 HA SER A 98 0.702 -0.420 -8.824 1.00 1.15 H new ATOM 0 HB2 SER A 98 -0.894 -1.402 -10.435 1.00 1.46 H new ATOM 0 HB3 SER A 98 0.213 -2.732 -10.713 1.00 1.46 H new ATOM 0 HG SER A 98 -1.315 -3.204 -9.004 1.00 1.90 H new ATOM 1604 N CYS A 99 2.963 -1.349 -8.126 1.00 1.13 N ATOM 1605 CA CYS A 99 4.143 -2.013 -7.606 1.00 1.43 C ATOM 1606 C CYS A 99 4.386 -1.425 -6.196 1.00 1.65 C ATOM 1607 O CYS A 99 5.130 -0.460 -6.026 1.00 1.98 O ATOM 1608 CB CYS A 99 5.324 -1.638 -8.534 1.00 1.55 C ATOM 1609 SG CYS A 99 4.877 -1.503 -10.295 1.00 1.76 S ATOM 0 H CYS A 99 2.743 -0.451 -7.695 1.00 1.13 H new ATOM 0 HA CYS A 99 4.036 -3.097 -7.559 1.00 1.43 H new ATOM 0 HB2 CYS A 99 5.744 -0.688 -8.203 1.00 1.55 H new ATOM 0 HB3 CYS A 99 6.108 -2.387 -8.426 1.00 1.55 H new ATOM 1614 N PRO A 100 3.692 -1.994 -5.169 1.00 1.93 N ATOM 1615 CA PRO A 100 3.929 -1.579 -3.790 1.00 2.34 C ATOM 1616 C PRO A 100 5.274 -2.180 -3.388 1.00 2.29 C ATOM 1617 O PRO A 100 6.310 -1.771 -3.888 1.00 2.89 O ATOM 1618 CB PRO A 100 2.730 -2.165 -3.029 1.00 2.99 C ATOM 1619 CG PRO A 100 2.319 -3.400 -3.840 1.00 3.05 C ATOM 1620 CD PRO A 100 2.700 -3.065 -5.289 1.00 2.33 C ATOM 0 HA PRO A 100 3.992 -0.507 -3.602 1.00 2.34 H new ATOM 0 HB2 PRO A 100 3.002 -2.434 -2.008 1.00 2.99 H new ATOM 0 HB3 PRO A 100 1.914 -1.446 -2.962 1.00 2.99 H new ATOM 0 HG2 PRO A 100 2.838 -4.293 -3.491 1.00 3.05 H new ATOM 0 HG3 PRO A 100 1.251 -3.596 -3.747 1.00 3.05 H new ATOM 0 HD2 PRO A 100 3.114 -3.934 -5.802 1.00 2.33 H new ATOM 0 HD3 PRO A 100 1.832 -2.740 -5.863 1.00 2.33 H new ATOM 1628 N VAL A 101 5.362 -3.122 -2.431 1.00 2.09 N ATOM 1629 CA VAL A 101 6.762 -3.480 -2.123 1.00 2.26 C ATOM 1630 C VAL A 101 6.810 -4.043 -0.705 1.00 1.98 C ATOM 1631 O VAL A 101 6.205 -5.068 -0.437 1.00 2.63 O ATOM 1632 CB VAL A 101 7.768 -2.307 -2.459 1.00 3.13 C ATOM 1633 CG1 VAL A 101 7.552 -1.956 -3.949 1.00 3.94 C ATOM 1634 CG2 VAL A 101 7.602 -0.994 -1.637 1.00 3.73 C ATOM 0 H VAL A 101 4.611 -3.590 -1.924 1.00 2.09 H new ATOM 0 HA VAL A 101 7.123 -4.273 -2.778 1.00 2.26 H new ATOM 0 HB VAL A 101 8.762 -2.677 -2.207 1.00 3.13 H new ATOM 0 HG11 VAL A 101 8.225 -1.148 -4.234 1.00 3.94 H new ATOM 0 HG12 VAL A 101 7.758 -2.833 -4.563 1.00 3.94 H new ATOM 0 HG13 VAL A 101 6.520 -1.640 -4.102 1.00 3.94 H new ATOM 0 HG21 VAL A 101 8.348 -0.267 -1.958 1.00 3.73 H new ATOM 0 HG22 VAL A 101 6.604 -0.587 -1.800 1.00 3.73 H new ATOM 0 HG23 VAL A 101 7.738 -1.209 -0.577 1.00 3.73 H new ATOM 1644 N LYS A 102 7.460 -3.268 0.163 1.00 1.84 N ATOM 1645 CA LYS A 102 7.448 -3.279 1.624 1.00 2.27 C ATOM 1646 C LYS A 102 8.899 -3.374 2.076 1.00 1.94 C ATOM 1647 O LYS A 102 9.232 -4.112 2.993 1.00 2.50 O ATOM 1648 CB LYS A 102 6.563 -4.377 2.263 1.00 3.19 C ATOM 1649 CG LYS A 102 7.180 -5.799 2.249 1.00 3.81 C ATOM 1650 CD LYS A 102 6.254 -6.961 1.878 1.00 4.62 C ATOM 1651 CE LYS A 102 4.812 -6.842 2.368 1.00 5.20 C ATOM 1652 NZ LYS A 102 4.098 -8.051 1.974 1.00 5.87 N ATOM 0 H LYS A 102 8.078 -2.534 -0.182 1.00 1.84 H new ATOM 0 HA LYS A 102 6.979 -2.359 1.974 1.00 2.27 H new ATOM 0 HB2 LYS A 102 6.351 -4.098 3.295 1.00 3.19 H new ATOM 0 HB3 LYS A 102 5.608 -4.405 1.738 1.00 3.19 H new ATOM 0 HG2 LYS A 102 8.016 -5.797 1.550 1.00 3.81 H new ATOM 0 HG3 LYS A 102 7.592 -5.998 3.238 1.00 3.81 H new ATOM 0 HD2 LYS A 102 6.242 -7.060 0.793 1.00 4.62 H new ATOM 0 HD3 LYS A 102 6.679 -7.882 2.277 1.00 4.62 H new ATOM 0 HE2 LYS A 102 4.787 -6.721 3.451 1.00 5.20 H new ATOM 0 HE3 LYS A 102 4.335 -5.961 1.938 1.00 5.20 H new ATOM 0 HZ1 LYS A 102 3.111 -7.993 2.298 1.00 5.87 H new ATOM 0 HZ2 LYS A 102 4.118 -8.144 0.938 1.00 5.87 H new ATOM 0 HZ3 LYS A 102 4.555 -8.880 2.405 1.00 5.87 H new ATOM 1666 N GLU A 103 9.747 -2.632 1.319 1.00 1.49 N ATOM 1667 CA GLU A 103 11.138 -2.678 1.740 1.00 1.27 C ATOM 1668 C GLU A 103 11.224 -1.969 3.077 1.00 1.23 C ATOM 1669 O GLU A 103 10.669 -0.896 3.299 1.00 1.55 O ATOM 1670 CB GLU A 103 12.087 -2.077 0.687 1.00 1.32 C ATOM 1671 CG GLU A 103 13.409 -2.869 0.583 1.00 1.79 C ATOM 1672 CD GLU A 103 13.332 -3.999 -0.442 1.00 2.32 C ATOM 1673 OE1 GLU A 103 12.307 -4.656 -0.538 1.00 2.81 O ATOM 1674 OE2 GLU A 103 14.260 -4.195 -1.212 1.00 2.84 O ATOM 0 H GLU A 103 9.516 -2.060 0.507 1.00 1.49 H new ATOM 0 HA GLU A 103 11.467 -3.712 1.846 1.00 1.27 H new ATOM 0 HB2 GLU A 103 11.592 -2.068 -0.284 1.00 1.32 H new ATOM 0 HB3 GLU A 103 12.304 -1.040 0.944 1.00 1.32 H new ATOM 0 HG2 GLU A 103 14.216 -2.189 0.310 1.00 1.79 H new ATOM 0 HG3 GLU A 103 13.658 -3.284 1.559 1.00 1.79 H new ATOM 1681 N ALA A 104 11.844 -2.714 3.986 1.00 1.29 N ATOM 1682 CA ALA A 104 12.101 -2.186 5.318 1.00 1.37 C ATOM 1683 C ALA A 104 13.577 -2.317 5.611 1.00 1.17 C ATOM 1684 O ALA A 104 13.989 -2.477 6.753 1.00 1.31 O ATOM 1685 CB ALA A 104 11.288 -2.949 6.366 1.00 1.77 C ATOM 0 H ALA A 104 12.172 -3.667 3.829 1.00 1.29 H new ATOM 0 HA ALA A 104 11.803 -1.138 5.358 1.00 1.37 H new ATOM 0 HB1 ALA A 104 11.494 -2.540 7.355 1.00 1.77 H new ATOM 0 HB2 ALA A 104 10.225 -2.849 6.146 1.00 1.77 H new ATOM 0 HB3 ALA A 104 11.565 -4.003 6.345 1.00 1.77 H new ATOM 1691 N ASN A 105 14.329 -2.278 4.496 1.00 1.12 N ATOM 1692 CA ASN A 105 15.699 -1.815 4.656 1.00 1.02 C ATOM 1693 C ASN A 105 15.637 -0.352 4.326 1.00 0.95 C ATOM 1694 O ASN A 105 14.604 0.165 3.904 1.00 1.22 O ATOM 1695 CB ASN A 105 16.657 -2.527 3.714 1.00 1.17 C ATOM 1696 CG ASN A 105 17.327 -3.652 4.459 1.00 1.91 C ATOM 1697 OD1 ASN A 105 17.712 -3.569 5.615 1.00 2.53 O ATOM 1698 ND2 ASN A 105 17.449 -4.759 3.727 1.00 2.62 N ATOM 0 H ASN A 105 14.037 -2.539 3.554 1.00 1.12 H new ATOM 0 HA ASN A 105 16.072 -2.014 5.661 1.00 1.02 H new ATOM 0 HB2 ASN A 105 16.117 -2.915 2.850 1.00 1.17 H new ATOM 0 HB3 ASN A 105 17.403 -1.828 3.336 1.00 1.17 H new ATOM 0 HD21 ASN A 105 17.881 -5.591 4.129 1.00 2.62 H new ATOM 0 HD22 ASN A 105 17.110 -4.774 2.765 1.00 2.62 H new ATOM 1705 N GLN A 106 16.762 0.317 4.541 1.00 0.94 N ATOM 1706 CA GLN A 106 16.751 1.746 4.275 1.00 0.92 C ATOM 1707 C GLN A 106 18.080 1.975 3.552 1.00 0.88 C ATOM 1708 O GLN A 106 19.005 1.193 3.745 1.00 0.96 O ATOM 1709 CB GLN A 106 16.629 2.560 5.581 1.00 1.08 C ATOM 1710 CG GLN A 106 17.732 2.322 6.631 1.00 1.74 C ATOM 1711 CD GLN A 106 17.685 3.418 7.712 1.00 2.22 C ATOM 1712 OE1 GLN A 106 16.628 3.894 8.098 1.00 2.90 O ATOM 1713 NE2 GLN A 106 18.878 3.802 8.183 1.00 2.34 N ATOM 0 H GLN A 106 17.641 -0.076 4.877 1.00 0.94 H new ATOM 0 HA GLN A 106 15.899 2.073 3.680 1.00 0.92 H new ATOM 0 HB2 GLN A 106 16.620 3.620 5.326 1.00 1.08 H new ATOM 0 HB3 GLN A 106 15.665 2.334 6.038 1.00 1.08 H new ATOM 0 HG2 GLN A 106 17.601 1.342 7.091 1.00 1.74 H new ATOM 0 HG3 GLN A 106 18.709 2.319 6.148 1.00 1.74 H new ATOM 0 HE21 GLN A 106 19.730 3.371 7.825 1.00 2.34 H new ATOM 0 HE22 GLN A 106 18.934 4.526 8.900 1.00 2.34 H new ATOM 1722 N SER A 107 18.122 2.999 2.708 1.00 0.85 N ATOM 1723 CA SER A 107 19.370 3.512 2.164 1.00 0.89 C ATOM 1724 C SER A 107 19.261 5.043 2.085 1.00 0.77 C ATOM 1725 O SER A 107 18.367 5.619 2.714 1.00 0.70 O ATOM 1726 CB SER A 107 19.934 2.640 1.005 1.00 1.04 C ATOM 1727 OG SER A 107 21.348 2.650 0.790 1.00 1.50 O ATOM 0 H SER A 107 17.292 3.495 2.383 1.00 0.85 H new ATOM 0 HA SER A 107 20.238 3.384 2.811 1.00 0.89 H new ATOM 0 HB2 SER A 107 19.630 1.609 1.183 1.00 1.04 H new ATOM 0 HB3 SER A 107 19.452 2.959 0.081 1.00 1.04 H new ATOM 0 HG SER A 107 21.653 1.744 0.576 1.00 1.50 H new ATOM 1733 N THR A 108 20.208 5.652 1.358 1.00 0.81 N ATOM 1734 CA THR A 108 20.310 7.105 1.273 1.00 0.73 C ATOM 1735 C THR A 108 19.722 7.521 -0.099 1.00 0.68 C ATOM 1736 O THR A 108 19.540 6.687 -0.982 1.00 0.69 O ATOM 1737 CB THR A 108 21.814 7.418 1.411 1.00 0.82 C ATOM 1738 OG1 THR A 108 22.524 6.530 0.556 1.00 1.38 O ATOM 1739 CG2 THR A 108 22.257 7.289 2.885 1.00 1.35 C ATOM 0 H THR A 108 20.916 5.152 0.819 1.00 0.81 H new ATOM 0 HA THR A 108 19.763 7.651 2.041 1.00 0.73 H new ATOM 0 HB THR A 108 22.027 8.445 1.114 1.00 0.82 H new ATOM 0 HG1 THR A 108 23.485 6.709 0.624 1.00 1.38 H new ATOM 0 HG21 THR A 108 23.321 7.513 2.966 1.00 1.35 H new ATOM 0 HG22 THR A 108 21.691 7.990 3.498 1.00 1.35 H new ATOM 0 HG23 THR A 108 22.073 6.273 3.233 1.00 1.35 H new ATOM 1747 N LEU A 109 19.424 8.829 -0.231 1.00 0.68 N ATOM 1748 CA LEU A 109 18.922 9.421 -1.479 1.00 0.71 C ATOM 1749 C LEU A 109 20.132 9.695 -2.382 1.00 0.70 C ATOM 1750 O LEU A 109 20.018 9.762 -3.608 1.00 0.68 O ATOM 1751 CB LEU A 109 18.167 10.742 -1.151 1.00 0.80 C ATOM 1752 CG LEU A 109 17.245 11.391 -2.219 1.00 0.95 C ATOM 1753 CD1 LEU A 109 17.943 12.002 -3.439 1.00 1.25 C ATOM 1754 CD2 LEU A 109 16.078 10.492 -2.641 1.00 1.32 C ATOM 0 H LEU A 109 19.526 9.502 0.528 1.00 0.68 H new ATOM 0 HA LEU A 109 18.229 8.750 -1.986 1.00 0.71 H new ATOM 0 HB2 LEU A 109 17.559 10.557 -0.266 1.00 0.80 H new ATOM 0 HB3 LEU A 109 18.916 11.484 -0.874 1.00 0.80 H new ATOM 0 HG LEU A 109 16.839 12.246 -1.678 1.00 0.95 H new ATOM 0 HD11 LEU A 109 17.196 12.423 -4.112 1.00 1.25 H new ATOM 0 HD12 LEU A 109 18.623 12.789 -3.113 1.00 1.25 H new ATOM 0 HD13 LEU A 109 18.507 11.229 -3.961 1.00 1.25 H new ATOM 0 HD21 LEU A 109 15.474 11.006 -3.389 1.00 1.32 H new ATOM 0 HD22 LEU A 109 16.467 9.565 -3.063 1.00 1.32 H new ATOM 0 HD23 LEU A 109 15.462 10.264 -1.771 1.00 1.32 H new ATOM 1766 N GLU A 110 21.318 9.818 -1.741 1.00 0.73 N ATOM 1767 CA GLU A 110 22.529 9.889 -2.555 1.00 0.74 C ATOM 1768 C GLU A 110 22.566 8.598 -3.390 1.00 0.71 C ATOM 1769 O GLU A 110 22.436 8.602 -4.609 1.00 0.72 O ATOM 1770 CB GLU A 110 23.794 10.062 -1.693 1.00 0.79 C ATOM 1771 CG GLU A 110 25.054 10.393 -2.519 1.00 1.07 C ATOM 1772 CD GLU A 110 25.444 9.292 -3.524 1.00 1.48 C ATOM 1773 OE1 GLU A 110 25.328 8.112 -3.219 1.00 1.98 O ATOM 1774 OE2 GLU A 110 25.848 9.619 -4.634 1.00 2.10 O ATOM 0 H GLU A 110 21.450 9.867 -0.731 1.00 0.73 H new ATOM 0 HA GLU A 110 22.511 10.765 -3.203 1.00 0.74 H new ATOM 0 HB2 GLU A 110 23.625 10.857 -0.967 1.00 0.79 H new ATOM 0 HB3 GLU A 110 23.968 9.146 -1.128 1.00 0.79 H new ATOM 0 HG2 GLU A 110 24.888 11.324 -3.060 1.00 1.07 H new ATOM 0 HG3 GLU A 110 25.889 10.564 -1.839 1.00 1.07 H new ATOM 1781 N ASN A 111 22.572 7.484 -2.634 1.00 0.69 N ATOM 1782 CA ASN A 111 22.613 6.176 -3.291 1.00 0.67 C ATOM 1783 C ASN A 111 21.341 5.933 -4.137 1.00 0.63 C ATOM 1784 O ASN A 111 21.374 5.247 -5.150 1.00 0.67 O ATOM 1785 CB ASN A 111 22.742 5.053 -2.234 1.00 0.68 C ATOM 1786 CG ASN A 111 22.603 3.589 -2.749 1.00 0.80 C ATOM 1787 OD1 ASN A 111 23.019 3.196 -3.849 1.00 1.08 O ATOM 1788 ND2 ASN A 111 22.046 2.752 -1.863 1.00 1.41 N ATOM 0 H ASN A 111 22.550 7.465 -1.614 1.00 0.69 H new ATOM 0 HA ASN A 111 23.480 6.164 -3.952 1.00 0.67 H new ATOM 0 HB2 ASN A 111 23.713 5.152 -1.749 1.00 0.68 H new ATOM 0 HB3 ASN A 111 21.984 5.218 -1.468 1.00 0.68 H new ATOM 0 HD21 ASN A 111 21.955 1.761 -2.085 1.00 1.41 H new ATOM 0 HD22 ASN A 111 21.713 3.106 -0.966 1.00 1.41 H new ATOM 1795 N PHE A 112 20.183 6.495 -3.730 1.00 0.60 N ATOM 1796 CA PHE A 112 18.994 6.305 -4.558 1.00 0.56 C ATOM 1797 C PHE A 112 19.210 6.849 -5.990 1.00 0.56 C ATOM 1798 O PHE A 112 18.764 6.237 -6.955 1.00 0.54 O ATOM 1799 CB PHE A 112 17.768 7.001 -3.955 1.00 0.57 C ATOM 1800 CG PHE A 112 16.602 6.776 -4.870 1.00 0.53 C ATOM 1801 CD1 PHE A 112 15.874 5.596 -4.809 1.00 1.33 C ATOM 1802 CD2 PHE A 112 16.313 7.710 -5.858 1.00 1.29 C ATOM 1803 CE1 PHE A 112 14.909 5.326 -5.768 1.00 1.37 C ATOM 1804 CE2 PHE A 112 15.364 7.432 -6.820 1.00 1.25 C ATOM 1805 CZ PHE A 112 14.661 6.241 -6.780 1.00 0.53 C ATOM 0 H PHE A 112 20.056 7.050 -2.884 1.00 0.60 H new ATOM 0 HA PHE A 112 18.817 5.230 -4.597 1.00 0.56 H new ATOM 0 HB2 PHE A 112 17.555 6.603 -2.963 1.00 0.57 H new ATOM 0 HB3 PHE A 112 17.957 8.068 -3.836 1.00 0.57 H new ATOM 0 HD1 PHE A 112 16.059 4.888 -4.015 1.00 1.33 H new ATOM 0 HD2 PHE A 112 16.833 8.656 -5.873 1.00 1.29 H new ATOM 0 HE1 PHE A 112 14.350 4.403 -5.727 1.00 1.37 H new ATOM 0 HE2 PHE A 112 15.169 8.146 -7.607 1.00 1.25 H new ATOM 0 HZ PHE A 112 13.920 6.024 -7.536 1.00 0.53 H new ATOM 1815 N LEU A 113 19.848 8.041 -6.098 1.00 0.60 N ATOM 1816 CA LEU A 113 20.047 8.546 -7.457 1.00 0.63 C ATOM 1817 C LEU A 113 21.099 7.725 -8.191 1.00 0.64 C ATOM 1818 O LEU A 113 20.977 7.541 -9.396 1.00 0.64 O ATOM 1819 CB LEU A 113 20.372 10.045 -7.609 1.00 0.68 C ATOM 1820 CG LEU A 113 19.169 11.014 -7.574 1.00 1.06 C ATOM 1821 CD1 LEU A 113 19.579 12.365 -8.183 1.00 1.73 C ATOM 1822 CD2 LEU A 113 17.933 10.500 -8.333 1.00 1.59 C ATOM 0 H LEU A 113 20.200 8.617 -5.333 1.00 0.60 H new ATOM 0 HA LEU A 113 19.060 8.432 -7.906 1.00 0.63 H new ATOM 0 HB2 LEU A 113 21.062 10.328 -6.814 1.00 0.68 H new ATOM 0 HB3 LEU A 113 20.898 10.187 -8.553 1.00 0.68 H new ATOM 0 HG LEU A 113 18.890 11.109 -6.524 1.00 1.06 H new ATOM 0 HD11 LEU A 113 18.730 13.048 -8.158 1.00 1.73 H new ATOM 0 HD12 LEU A 113 20.402 12.788 -7.608 1.00 1.73 H new ATOM 0 HD13 LEU A 113 19.896 12.218 -9.215 1.00 1.73 H new ATOM 0 HD21 LEU A 113 17.131 11.235 -8.263 1.00 1.59 H new ATOM 0 HD22 LEU A 113 18.189 10.342 -9.381 1.00 1.59 H new ATOM 0 HD23 LEU A 113 17.602 9.559 -7.894 1.00 1.59 H new ATOM 1834 N GLU A 114 22.108 7.270 -7.415 1.00 0.67 N ATOM 1835 CA GLU A 114 23.144 6.487 -8.084 1.00 0.70 C ATOM 1836 C GLU A 114 22.503 5.197 -8.649 1.00 0.66 C ATOM 1837 O GLU A 114 22.408 4.976 -9.857 1.00 0.68 O ATOM 1838 CB GLU A 114 24.394 6.254 -7.214 1.00 0.75 C ATOM 1839 CG GLU A 114 25.706 6.425 -8.013 1.00 0.95 C ATOM 1840 CD GLU A 114 25.695 5.611 -9.313 1.00 0.91 C ATOM 1841 OE1 GLU A 114 25.522 4.398 -9.232 1.00 1.42 O ATOM 1842 OE2 GLU A 114 25.817 6.204 -10.388 1.00 1.43 O ATOM 0 H GLU A 114 22.218 7.418 -6.412 1.00 0.67 H new ATOM 0 HA GLU A 114 23.542 7.059 -8.922 1.00 0.70 H new ATOM 0 HB2 GLU A 114 24.387 6.953 -6.378 1.00 0.75 H new ATOM 0 HB3 GLU A 114 24.357 5.250 -6.791 1.00 0.75 H new ATOM 0 HG2 GLU A 114 25.854 7.479 -8.246 1.00 0.95 H new ATOM 0 HG3 GLU A 114 26.549 6.113 -7.397 1.00 0.95 H new ATOM 1849 N ARG A 115 21.934 4.430 -7.706 1.00 0.62 N ATOM 1850 CA ARG A 115 21.333 3.153 -8.051 1.00 0.59 C ATOM 1851 C ARG A 115 20.135 3.277 -9.023 1.00 0.56 C ATOM 1852 O ARG A 115 19.809 2.349 -9.770 1.00 0.58 O ATOM 1853 CB ARG A 115 21.119 2.283 -6.800 1.00 0.58 C ATOM 1854 CG ARG A 115 20.831 0.793 -7.079 1.00 0.61 C ATOM 1855 CD ARG A 115 22.010 -0.074 -7.522 1.00 1.36 C ATOM 1856 NE ARG A 115 22.901 -0.288 -6.389 1.00 1.58 N ATOM 1857 CZ ARG A 115 24.067 -0.963 -6.516 1.00 1.90 C ATOM 1858 NH1 ARG A 115 24.355 -1.590 -7.650 1.00 2.38 N ATOM 1859 NH2 ARG A 115 24.938 -0.974 -5.511 1.00 2.47 N ATOM 0 H ARG A 115 21.882 4.675 -6.717 1.00 0.62 H new ATOM 0 HA ARG A 115 22.046 2.591 -8.654 1.00 0.59 H new ATOM 0 HB2 ARG A 115 22.007 2.354 -6.171 1.00 0.58 H new ATOM 0 HB3 ARG A 115 20.289 2.696 -6.227 1.00 0.58 H new ATOM 0 HG2 ARG A 115 20.410 0.355 -6.174 1.00 0.61 H new ATOM 0 HG3 ARG A 115 20.061 0.736 -7.849 1.00 0.61 H new ATOM 0 HD2 ARG A 115 21.651 -1.030 -7.903 1.00 1.36 H new ATOM 0 HD3 ARG A 115 22.548 0.412 -8.336 1.00 1.36 H new ATOM 0 HE ARG A 115 22.639 0.081 -5.475 1.00 1.58 H new ATOM 0 HH11 ARG A 115 23.697 -1.564 -8.429 1.00 2.38 H new ATOM 0 HH12 ARG A 115 25.235 -2.098 -7.743 1.00 2.38 H new ATOM 0 HH21 ARG A 115 24.726 -0.474 -4.647 1.00 2.47 H new ATOM 0 HH22 ARG A 115 25.818 -1.482 -5.604 1.00 2.47 H new ATOM 1873 N LEU A 116 19.491 4.462 -9.034 1.00 0.55 N ATOM 1874 CA LEU A 116 18.500 4.706 -10.076 1.00 0.54 C ATOM 1875 C LEU A 116 19.215 4.903 -11.425 1.00 0.55 C ATOM 1876 O LEU A 116 18.889 4.255 -12.417 1.00 0.56 O ATOM 1877 CB LEU A 116 17.623 5.926 -9.741 1.00 0.56 C ATOM 1878 CG LEU A 116 16.474 6.156 -10.745 1.00 0.76 C ATOM 1879 CD1 LEU A 116 15.320 5.168 -10.517 1.00 1.28 C ATOM 1880 CD2 LEU A 116 15.972 7.600 -10.694 1.00 1.43 C ATOM 0 H LEU A 116 19.634 5.221 -8.368 1.00 0.55 H new ATOM 0 HA LEU A 116 17.840 3.841 -10.140 1.00 0.54 H new ATOM 0 HB2 LEU A 116 17.202 5.798 -8.744 1.00 0.56 H new ATOM 0 HB3 LEU A 116 18.251 6.817 -9.710 1.00 0.56 H new ATOM 0 HG LEU A 116 16.875 5.974 -11.742 1.00 0.76 H new ATOM 0 HD11 LEU A 116 14.529 5.359 -11.242 1.00 1.28 H new ATOM 0 HD12 LEU A 116 15.685 4.148 -10.639 1.00 1.28 H new ATOM 0 HD13 LEU A 116 14.927 5.295 -9.508 1.00 1.28 H new ATOM 0 HD21 LEU A 116 15.163 7.730 -11.413 1.00 1.43 H new ATOM 0 HD22 LEU A 116 15.606 7.823 -9.692 1.00 1.43 H new ATOM 0 HD23 LEU A 116 16.789 8.278 -10.941 1.00 1.43 H new ATOM 1892 N LYS A 117 20.185 5.823 -11.381 1.00 0.58 N ATOM 1893 CA LYS A 117 20.938 6.291 -12.540 1.00 0.62 C ATOM 1894 C LYS A 117 21.514 5.104 -13.305 1.00 0.60 C ATOM 1895 O LYS A 117 21.232 4.947 -14.488 1.00 0.64 O ATOM 1896 CB LYS A 117 22.008 7.302 -12.084 1.00 0.68 C ATOM 1897 CG LYS A 117 22.926 7.861 -13.179 1.00 0.94 C ATOM 1898 CD LYS A 117 23.946 8.831 -12.560 1.00 1.26 C ATOM 1899 CE LYS A 117 25.145 9.136 -13.461 1.00 1.51 C ATOM 1900 NZ LYS A 117 26.111 10.008 -12.796 1.00 2.16 N ATOM 0 H LYS A 117 20.473 6.272 -10.512 1.00 0.58 H new ATOM 0 HA LYS A 117 20.281 6.814 -13.235 1.00 0.62 H new ATOM 0 HB2 LYS A 117 21.504 8.139 -11.600 1.00 0.68 H new ATOM 0 HB3 LYS A 117 22.630 6.824 -11.327 1.00 0.68 H new ATOM 0 HG2 LYS A 117 23.445 7.045 -13.682 1.00 0.94 H new ATOM 0 HG3 LYS A 117 22.333 8.376 -13.935 1.00 0.94 H new ATOM 0 HD2 LYS A 117 23.441 9.766 -12.317 1.00 1.26 H new ATOM 0 HD3 LYS A 117 24.308 8.411 -11.622 1.00 1.26 H new ATOM 0 HE2 LYS A 117 25.632 8.204 -13.747 1.00 1.51 H new ATOM 0 HE3 LYS A 117 24.799 9.610 -14.380 1.00 1.51 H new ATOM 0 HZ1 LYS A 117 26.982 10.057 -13.362 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 25.708 10.962 -12.698 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 26.332 9.627 -11.854 1.00 2.16 H new ATOM 1914 N THR A 118 22.243 4.260 -12.555 1.00 0.58 N ATOM 1915 CA THR A 118 22.798 3.017 -13.070 1.00 0.59 C ATOM 1916 C THR A 118 21.741 2.250 -13.911 1.00 0.56 C ATOM 1917 O THR A 118 21.914 2.119 -15.110 1.00 0.60 O ATOM 1918 CB THR A 118 23.613 2.283 -12.002 1.00 0.63 C ATOM 1919 OG1 THR A 118 24.092 3.359 -11.220 1.00 1.19 O ATOM 1920 CG2 THR A 118 24.798 1.514 -12.602 1.00 1.34 C ATOM 0 H THR A 118 22.459 4.430 -11.573 1.00 0.58 H new ATOM 0 HA THR A 118 23.573 3.191 -13.817 1.00 0.59 H new ATOM 0 HB THR A 118 23.030 1.537 -11.462 1.00 0.63 H new ATOM 0 HG1 THR A 118 24.619 3.010 -10.471 1.00 1.19 H new ATOM 0 HG21 THR A 118 25.345 1.010 -11.806 1.00 1.34 H new ATOM 0 HG22 THR A 118 24.429 0.775 -13.313 1.00 1.34 H new ATOM 0 HG23 THR A 118 25.462 2.210 -13.114 1.00 1.34 H new ATOM 1928 N ILE A 119 20.592 1.880 -13.314 1.00 0.56 N ATOM 1929 CA ILE A 119 19.590 1.132 -14.104 1.00 0.58 C ATOM 1930 C ILE A 119 19.147 1.853 -15.418 1.00 0.52 C ATOM 1931 O ILE A 119 18.862 1.196 -16.414 1.00 0.54 O ATOM 1932 CB ILE A 119 18.473 0.612 -13.155 1.00 0.64 C ATOM 1933 CG1 ILE A 119 19.019 -0.518 -12.227 1.00 0.78 C ATOM 1934 CG2 ILE A 119 17.239 0.082 -13.912 1.00 0.63 C ATOM 1935 CD1 ILE A 119 19.080 -0.242 -10.717 1.00 1.12 C ATOM 0 H ILE A 119 20.340 2.071 -12.344 1.00 0.56 H new ATOM 0 HA ILE A 119 20.047 0.240 -14.532 1.00 0.58 H new ATOM 0 HB ILE A 119 18.160 1.471 -12.562 1.00 0.64 H new ATOM 0 HG12 ILE A 119 18.402 -1.404 -12.380 1.00 0.78 H new ATOM 0 HG13 ILE A 119 20.026 -0.769 -12.562 1.00 0.78 H new ATOM 0 HG21 ILE A 119 16.495 -0.267 -13.196 1.00 0.63 H new ATOM 0 HG22 ILE A 119 16.813 0.881 -14.518 1.00 0.63 H new ATOM 0 HG23 ILE A 119 17.536 -0.744 -14.558 1.00 0.63 H new ATOM 0 HD11 ILE A 119 19.480 -1.116 -10.203 1.00 1.12 H new ATOM 0 HD12 ILE A 119 19.726 0.616 -10.530 1.00 1.12 H new ATOM 0 HD13 ILE A 119 18.078 -0.029 -10.345 1.00 1.12 H new ATOM 1947 N MET A 120 19.100 3.205 -15.437 1.00 0.50 N ATOM 1948 CA MET A 120 18.809 3.804 -16.750 1.00 0.48 C ATOM 1949 C MET A 120 20.023 3.685 -17.670 1.00 0.47 C ATOM 1950 O MET A 120 19.915 3.507 -18.876 1.00 0.52 O ATOM 1951 CB MET A 120 18.473 5.292 -16.675 1.00 0.51 C ATOM 1952 CG MET A 120 17.104 5.552 -16.082 1.00 0.51 C ATOM 1953 SD MET A 120 17.177 5.644 -14.300 1.00 0.53 S ATOM 1954 CE MET A 120 15.455 6.067 -14.017 1.00 0.62 C ATOM 0 H MET A 120 19.243 3.839 -14.651 1.00 0.50 H new ATOM 0 HA MET A 120 17.946 3.257 -17.129 1.00 0.48 H new ATOM 0 HB2 MET A 120 19.227 5.801 -16.075 1.00 0.51 H new ATOM 0 HB3 MET A 120 18.519 5.722 -17.676 1.00 0.51 H new ATOM 0 HG2 MET A 120 16.704 6.484 -16.480 1.00 0.51 H new ATOM 0 HG3 MET A 120 16.419 4.758 -16.380 1.00 0.51 H new ATOM 0 HE1 MET A 120 15.387 7.093 -13.654 1.00 0.62 H new ATOM 0 HE2 MET A 120 14.900 5.975 -14.950 1.00 0.62 H new ATOM 0 HE3 MET A 120 15.031 5.391 -13.275 1.00 0.62 H new ATOM 1964 N ARG A 121 21.197 3.813 -17.046 1.00 0.52 N ATOM 1965 CA ARG A 121 22.452 3.730 -17.760 1.00 0.58 C ATOM 1966 C ARG A 121 22.558 2.378 -18.486 1.00 0.65 C ATOM 1967 O ARG A 121 22.647 2.350 -19.700 1.00 0.69 O ATOM 1968 CB ARG A 121 23.649 4.008 -16.837 1.00 0.70 C ATOM 1969 CG ARG A 121 24.898 4.301 -17.669 1.00 0.80 C ATOM 1970 CD ARG A 121 26.146 4.593 -16.836 1.00 1.29 C ATOM 1971 NE ARG A 121 27.210 4.820 -17.805 1.00 1.98 N ATOM 1972 CZ ARG A 121 28.066 5.862 -17.806 1.00 2.40 C ATOM 1973 NH1 ARG A 121 28.247 6.588 -16.705 1.00 2.75 N ATOM 1974 NH2 ARG A 121 28.726 6.132 -18.924 1.00 3.11 N ATOM 0 H ARG A 121 21.293 3.975 -16.044 1.00 0.52 H new ATOM 0 HA ARG A 121 22.476 4.512 -18.519 1.00 0.58 H new ATOM 0 HB2 ARG A 121 23.428 4.855 -16.188 1.00 0.70 H new ATOM 0 HB3 ARG A 121 23.827 3.149 -16.190 1.00 0.70 H new ATOM 0 HG2 ARG A 121 25.098 3.448 -18.318 1.00 0.80 H new ATOM 0 HG3 ARG A 121 24.698 5.154 -18.317 1.00 0.80 H new ATOM 0 HD2 ARG A 121 25.999 5.467 -16.201 1.00 1.29 H new ATOM 0 HD3 ARG A 121 26.385 3.757 -16.178 1.00 1.29 H new ATOM 0 HE ARG A 121 27.317 4.130 -18.548 1.00 1.98 H new ATOM 0 HH11 ARG A 121 27.736 6.358 -15.853 1.00 2.75 H new ATOM 0 HH12 ARG A 121 28.896 7.375 -16.714 1.00 2.75 H new ATOM 0 HH21 ARG A 121 28.580 5.558 -19.754 1.00 3.11 H new ATOM 0 HH22 ARG A 121 29.380 6.914 -18.954 1.00 3.11 H new ATOM 1988 N GLU A 122 22.448 1.310 -17.689 1.00 0.69 N ATOM 1989 CA GLU A 122 22.181 -0.069 -18.086 1.00 0.81 C ATOM 1990 C GLU A 122 21.148 -0.102 -19.266 1.00 0.79 C ATOM 1991 O GLU A 122 21.504 -0.334 -20.413 1.00 0.87 O ATOM 1992 CB GLU A 122 21.745 -0.818 -16.782 1.00 0.90 C ATOM 1993 CG GLU A 122 22.819 -0.791 -15.643 1.00 0.99 C ATOM 1994 CD GLU A 122 22.372 -1.329 -14.255 1.00 1.03 C ATOM 1995 OE1 GLU A 122 22.045 -2.495 -14.138 1.00 1.59 O ATOM 1996 OE2 GLU A 122 22.382 -0.600 -13.258 1.00 1.40 O ATOM 0 H GLU A 122 22.551 1.397 -16.678 1.00 0.69 H new ATOM 0 HA GLU A 122 23.052 -0.583 -18.493 1.00 0.81 H new ATOM 0 HB2 GLU A 122 20.824 -0.371 -16.409 1.00 0.90 H new ATOM 0 HB3 GLU A 122 21.519 -1.855 -17.029 1.00 0.90 H new ATOM 0 HG2 GLU A 122 23.680 -1.372 -15.973 1.00 0.99 H new ATOM 0 HG3 GLU A 122 23.157 0.238 -15.517 1.00 0.99 H new ATOM 2003 N LYS A 123 19.873 0.186 -18.945 1.00 0.73 N ATOM 2004 CA LYS A 123 18.755 0.039 -19.901 1.00 0.78 C ATOM 2005 C LYS A 123 18.851 0.938 -21.180 1.00 0.79 C ATOM 2006 O LYS A 123 18.139 0.715 -22.149 1.00 0.93 O ATOM 2007 CB LYS A 123 17.436 0.348 -19.146 1.00 0.76 C ATOM 2008 CG LYS A 123 16.138 0.069 -19.941 1.00 1.06 C ATOM 2009 CD LYS A 123 14.861 0.521 -19.212 1.00 1.35 C ATOM 2010 CE LYS A 123 13.569 0.332 -20.033 1.00 1.47 C ATOM 2011 NZ LYS A 123 13.319 -1.063 -20.410 1.00 2.03 N ATOM 0 H LYS A 123 19.588 0.524 -18.026 1.00 0.73 H new ATOM 0 HA LYS A 123 18.794 -0.985 -20.273 1.00 0.78 H new ATOM 0 HB2 LYS A 123 17.415 -0.241 -18.229 1.00 0.76 H new ATOM 0 HB3 LYS A 123 17.443 1.397 -18.850 1.00 0.76 H new ATOM 0 HG2 LYS A 123 16.195 0.576 -20.904 1.00 1.06 H new ATOM 0 HG3 LYS A 123 16.070 -0.999 -20.147 1.00 1.06 H new ATOM 0 HD2 LYS A 123 14.771 -0.036 -18.279 1.00 1.35 H new ATOM 0 HD3 LYS A 123 14.960 1.574 -18.947 1.00 1.35 H new ATOM 0 HE2 LYS A 123 12.722 0.702 -19.455 1.00 1.47 H new ATOM 0 HE3 LYS A 123 13.629 0.940 -20.936 1.00 1.47 H new ATOM 0 HZ1 LYS A 123 12.438 -1.122 -20.959 1.00 2.03 H new ATOM 0 HZ2 LYS A 123 14.110 -1.414 -20.987 1.00 2.03 H new ATOM 0 HZ3 LYS A 123 13.232 -1.644 -19.552 1.00 2.03 H new ATOM 2025 N TYR A 124 19.682 1.987 -21.135 1.00 0.69 N ATOM 2026 CA TYR A 124 19.764 2.999 -22.206 1.00 0.73 C ATOM 2027 C TYR A 124 20.889 2.615 -23.178 1.00 0.84 C ATOM 2028 O TYR A 124 20.888 2.935 -24.360 1.00 0.97 O ATOM 2029 CB TYR A 124 20.122 4.339 -21.521 1.00 0.65 C ATOM 2030 CG TYR A 124 20.553 5.495 -22.390 1.00 0.90 C ATOM 2031 CD1 TYR A 124 19.623 6.309 -23.025 1.00 1.68 C ATOM 2032 CD2 TYR A 124 21.906 5.801 -22.522 1.00 1.62 C ATOM 2033 CE1 TYR A 124 20.040 7.428 -23.736 1.00 2.19 C ATOM 2034 CE2 TYR A 124 22.321 6.924 -23.226 1.00 2.11 C ATOM 2035 CZ TYR A 124 21.384 7.749 -23.825 1.00 2.15 C ATOM 2036 OH TYR A 124 21.787 8.889 -24.488 1.00 2.83 O ATOM 0 H TYR A 124 20.318 2.162 -20.357 1.00 0.69 H new ATOM 0 HA TYR A 124 18.827 3.071 -22.758 1.00 0.73 H new ATOM 0 HB2 TYR A 124 19.253 4.661 -20.947 1.00 0.65 H new ATOM 0 HB3 TYR A 124 20.922 4.144 -20.807 1.00 0.65 H new ATOM 0 HD1 TYR A 124 18.571 6.071 -22.966 1.00 1.68 H new ATOM 0 HD2 TYR A 124 22.644 5.155 -22.070 1.00 1.62 H new ATOM 0 HE1 TYR A 124 19.308 8.054 -24.224 1.00 2.19 H new ATOM 0 HE2 TYR A 124 23.373 7.154 -23.306 1.00 2.11 H new ATOM 0 HH TYR A 124 22.764 8.960 -24.452 1.00 2.83 H new ATOM 2046 N SER A 125 21.874 1.945 -22.567 1.00 0.86 N ATOM 2047 CA SER A 125 22.997 1.422 -23.311 1.00 1.03 C ATOM 2048 C SER A 125 22.478 0.234 -24.151 1.00 1.17 C ATOM 2049 O SER A 125 22.471 0.266 -25.384 1.00 1.51 O ATOM 2050 CB SER A 125 24.071 1.073 -22.247 1.00 1.12 C ATOM 2051 OG SER A 125 25.361 0.725 -22.749 1.00 1.40 O ATOM 0 H SER A 125 21.905 1.760 -21.564 1.00 0.86 H new ATOM 0 HA SER A 125 23.454 2.108 -24.024 1.00 1.03 H new ATOM 0 HB2 SER A 125 24.182 1.927 -21.578 1.00 1.12 H new ATOM 0 HB3 SER A 125 23.701 0.243 -21.646 1.00 1.12 H new ATOM 0 HG SER A 125 25.961 0.526 -22.000 1.00 1.40 H new ATOM 2057 N LYS A 126 21.962 -0.776 -23.411 1.00 1.26 N ATOM 2058 CA LYS A 126 21.497 -2.009 -24.048 1.00 1.46 C ATOM 2059 C LYS A 126 20.115 -1.838 -24.737 1.00 1.47 C ATOM 2060 O LYS A 126 19.397 -2.794 -25.019 1.00 1.89 O ATOM 2061 CB LYS A 126 21.460 -3.146 -23.017 1.00 2.16 C ATOM 2062 CG LYS A 126 21.727 -4.504 -23.674 1.00 2.61 C ATOM 2063 CD LYS A 126 21.556 -5.677 -22.706 1.00 3.28 C ATOM 2064 CE LYS A 126 22.108 -6.977 -23.298 1.00 3.94 C ATOM 2065 NZ LYS A 126 23.561 -6.926 -23.431 1.00 4.69 N ATOM 0 H LYS A 126 21.863 -0.754 -22.396 1.00 1.26 H new ATOM 0 HA LYS A 126 22.206 -2.261 -24.837 1.00 1.46 H new ATOM 0 HB2 LYS A 126 22.205 -2.962 -22.243 1.00 2.16 H new ATOM 0 HB3 LYS A 126 20.487 -3.163 -22.526 1.00 2.16 H new ATOM 0 HG2 LYS A 126 21.049 -4.634 -24.518 1.00 2.61 H new ATOM 0 HG3 LYS A 126 22.740 -4.515 -24.075 1.00 2.61 H new ATOM 0 HD2 LYS A 126 22.069 -5.456 -21.770 1.00 3.28 H new ATOM 0 HD3 LYS A 126 20.500 -5.804 -22.469 1.00 3.28 H new ATOM 0 HE2 LYS A 126 21.829 -7.816 -22.661 1.00 3.94 H new ATOM 0 HE3 LYS A 126 21.658 -7.154 -24.275 1.00 3.94 H new ATOM 0 HZ1 LYS A 126 23.937 -7.893 -23.503 1.00 4.69 H new ATOM 0 HZ2 LYS A 126 23.813 -6.391 -24.287 1.00 4.69 H new ATOM 0 HZ3 LYS A 126 23.970 -6.457 -22.597 1.00 4.69 H new ATOM 2079 N CYS A 127 19.781 -0.570 -25.012 1.00 1.69 N ATOM 2080 CA CYS A 127 18.608 -0.212 -25.776 1.00 2.29 C ATOM 2081 C CYS A 127 18.470 -1.031 -27.058 1.00 2.62 C ATOM 2082 O CYS A 127 17.380 -1.494 -27.373 1.00 3.20 O ATOM 2083 CB CYS A 127 18.725 1.271 -26.151 1.00 2.61 C ATOM 2084 SG CYS A 127 17.905 2.368 -24.982 1.00 2.24 S ATOM 0 H CYS A 127 20.330 0.232 -24.702 1.00 1.69 H new ATOM 0 HA CYS A 127 17.729 -0.413 -25.164 1.00 2.29 H new ATOM 0 HB2 CYS A 127 19.779 1.541 -26.214 1.00 2.61 H new ATOM 0 HB3 CYS A 127 18.298 1.423 -27.142 1.00 2.61 H new ATOM 2089 N SER A 128 19.586 -1.141 -27.805 1.00 2.61 N ATOM 2090 CA SER A 128 19.567 -1.873 -29.076 1.00 3.22 C ATOM 2091 C SER A 128 19.202 -3.344 -28.799 1.00 3.69 C ATOM 2092 O SER A 128 18.849 -3.721 -27.677 1.00 3.80 O ATOM 2093 CB SER A 128 20.962 -1.776 -29.750 1.00 3.71 C ATOM 2094 OG SER A 128 21.043 -2.446 -31.009 1.00 4.08 O ATOM 0 H SER A 128 20.490 -0.741 -27.554 1.00 2.61 H new ATOM 0 HA SER A 128 18.826 -1.441 -29.748 1.00 3.22 H new ATOM 0 HB2 SER A 128 21.214 -0.725 -29.892 1.00 3.71 H new ATOM 0 HB3 SER A 128 21.710 -2.195 -29.077 1.00 3.71 H new ATOM 0 HG SER A 128 21.355 -3.365 -30.871 1.00 4.08 H new ATOM 2100 N SER A 129 19.270 -4.127 -29.890 1.00 4.36 N ATOM 2101 CA SER A 129 19.504 -5.543 -29.703 1.00 5.12 C ATOM 2102 C SER A 129 20.971 -5.664 -29.301 1.00 5.59 C ATOM 2103 O SER A 129 21.271 -6.458 -28.259 1.00 5.91 O ATOM 2104 CB SER A 129 19.158 -6.354 -30.964 1.00 5.86 C ATOM 2105 OG SER A 129 18.557 -7.602 -30.640 1.00 6.62 O ATOM 2106 OXT SER A 129 21.841 -4.877 -29.896 1.00 5.96 O ATOM 0 H SER A 129 19.171 -3.813 -30.855 1.00 4.36 H new ATOM 0 HA SER A 129 18.857 -5.962 -28.932 1.00 5.12 H new ATOM 0 HB2 SER A 129 18.481 -5.777 -31.593 1.00 5.86 H new ATOM 0 HB3 SER A 129 20.064 -6.527 -31.545 1.00 5.86 H new ATOM 0 HG SER A 129 18.349 -8.089 -31.465 1.00 6.62 H new TER 2112 SER A 129 CONECT 47 2084 CONECT 391 1042 CONECT 725 1609 CONECT 1042 391 CONECT 1609 725 CONECT 2084 47 END