USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 856 hydrogens (30 hets) HEADER ELECTRON TRANSPORT 30-MAY-99 1QPU TITLE SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA COLI CYTOCHROME TITLE 2 B562 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B562; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS FOUR HELIX BUNDLE, HEMOPROTEIN, ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,J.FARAONE-MENNELLA,A.ROSATO, AUTHOR 2 P.D.BARKER,A.R.FERSHT REVDAT 3 24-FEB-09 1QPU 1 VERSN REVDAT 2 29-DEC-99 1QPU 1 JRNL REMARK REVDAT 1 02-JUN-99 1QPU 0 JRNL AUTH F.ARNESANO,L.BANCI,I.BERTINI,J.FARAONE-MENNELLA, JRNL AUTH 2 A.ROSATO,P.D.BARKER,A.R.FERSHT JRNL TITL THE SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA JRNL TITL 2 COLI CYTOCHROME B562. JRNL REF BIOCHEMISTRY V. 38 8657 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10393541 JRNL DOI 10.1021/BI982785F REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN, D.A. ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QPU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB009123. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298; 298 REMARK 210 PH : 4.8; 4.8; 4.8 REMARK 210 IONIC STRENGTH : 500 MM PHOSPHATE; 500 MM REMARK 210 PHOSPHATE; 500 MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MM CYTOCHROME B562, 500 MM REMARK 210 PHOSPHATE BUFFER, PH 4.8; 3 MM REMARK 210 CYTOCHROME B562 U-15N, 500 MM REMARK 210 PHOSPHATE BUFFER, PH 4.8; 3 MM REMARK 210 CYTOCHROME B562, 500 MM REMARK 210 PHOSPHATE BUFFER, PH 4.8 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 FOLLOWED BY ENERGY MINIMIZATION 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: 1D NOE EXPERIMENTS WERE USED TO OBTAIN CONSTRAINTS FOR REMARK 210 THE IRON AXIAL LIGANDS 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: 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 ARG A 106 CB - CA - C ANGL. DEV. = 19.0 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 ASP A 2 -90.91 -84.92 REMARK 500 LEU A 3 -41.79 173.79 REMARK 500 ARG A 62 -26.63 -24.16 REMARK 500 LYS A 83 44.89 -75.76 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 98 0.13 SIDE_CHAIN REMARK 500 TYR A 105 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 107 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 102 NE2 REMARK 620 2 MET A 7 SD 170.9 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 107 DBREF 1QPU A 1 106 UNP P0ABE7 C562_ECOLI 23 128 SEQRES 1 A 106 ALA ASP LEU GLU ASP ASN MET GLU THR LEU ASN ASP ASN SEQRES 2 A 106 LEU LYS VAL ILE GLU LYS ALA ASP ASN ALA ALA GLN VAL SEQRES 3 A 106 LYS ASP ALA LEU THR LYS MET ARG ALA ALA ALA LEU ASP SEQRES 4 A 106 ALA GLN LYS ALA THR PRO PRO LYS LEU GLU ASP LYS SER SEQRES 5 A 106 PRO ASP SER PRO GLU MET LYS ASP PHE ARG HIS GLY PHE SEQRES 6 A 106 ASP ILE LEU VAL GLY GLN ILE ASP ASP ALA LEU LYS LEU SEQRES 7 A 106 ALA ASN GLU GLY LYS VAL LYS GLU ALA GLN ALA ALA ALA SEQRES 8 A 106 GLU GLN LEU LYS THR THR ARG ASN ALA TYR HIS GLN LYS SEQRES 9 A 106 TYR ARG HET HEM A 107 73 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 1 LEU A 3 GLU A 18 1 16 HELIX 2 2 ASN A 22 GLN A 41 1 20 HELIX 3 3 PRO A 45 GLU A 49 5 5 HELIX 4 4 ARG A 62 ASN A 80 1 19 HELIX 5 5 LYS A 83 ARG A 106 1 24 LINK NE2 HIS A 102 FE HEM A 107 1555 1555 1.98 LINK FE HEM A 107 SD MET A 7 1555 1555 2.30 SITE *** AC1 14 LEU A 3 GLU A 4 MET A 7 LEU A 10 SITE *** AC1 14 ASN A 11 PRO A 45 PHE A 61 GLY A 64 SITE *** AC1 14 LEU A 68 THR A 97 ARG A 98 HIS A 102 SITE *** AC1 14 TYR A 105 ARG A 106 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 102 HIS HE2 : A 102 HIS NE2 : A 107 HEMFE :(H bumps) USER MOD Set 1.1: A 96 THR OG1 : rot 180:sc= -0.0125 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot -179:sc= -0.918 USER MOD Set 2.2: A 55 SER OG : rot -51:sc= -0.328 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.598 K(o=-5.8,f=-13!) USER MOD Set 3.2: A 107 HEM CMB :methyl 150:sc= -6.41! (180deg=-6.41!) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.216 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 7 MET CE :methyl -171:sc= 0 (180deg=-0.119) USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.76 USER MOD Single : A 13 ASN : amide:sc= -2.21 X(o=-2.2,f=-1.9) USER MOD Single : A 15 LYS NZ :NH3+ -142:sc= 0.203 (180deg=-0.0151) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.227) USER MOD Single : A 22 ASN : amide:sc= 0.639 K(o=0.64,f=-4.5!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 81:sc= 0.362 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -156:sc= -3.39 (180deg=-5.12!) USER MOD Single : A 41 GLN : amide:sc= -0.355 X(o=-0.35,f=0.014) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0854 (180deg=-0.189) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -151:sc= -0.255 (180deg=-1.47!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.668 K(o=-0.67,f=-1.8!) USER MOD Single : A 71 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.64 K(o=-0.64,f=-3.5!) USER MOD Single : A 93 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.4!) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.0256 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HEM CMA :methyl 150:sc= -3.1! (180deg=-3.1!) USER MOD Single : A 107 HEM CMC :methyl -30:sc= -4.52! (180deg=-7.97!) USER MOD Single : A 107 HEM CMD :methyl -30:sc= -1.9 (180deg=-4.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.948 0.341 12.563 1.00 1.00 N ATOM 2 CA ALA A 1 10.594 -0.209 12.410 1.00 1.00 C ATOM 3 C ALA A 1 10.366 -1.198 13.530 1.00 1.00 C ATOM 4 O ALA A 1 11.361 -1.707 14.044 1.00 1.00 O ATOM 5 CB ALA A 1 10.479 -0.942 11.071 1.00 1.00 C ATOM 0 H1 ALA A 1 12.453 0.277 11.656 1.00 1.00 H new ATOM 0 H2 ALA A 1 11.887 1.337 12.856 1.00 1.00 H new ATOM 0 H3 ALA A 1 12.463 -0.201 13.285 1.00 1.00 H new ATOM 0 HA ALA A 1 9.858 0.594 12.441 1.00 1.00 H new ATOM 0 HB1 ALA A 1 9.473 -1.348 10.963 1.00 1.00 H new ATOM 0 HB2 ALA A 1 10.679 -0.246 10.257 1.00 1.00 H new ATOM 0 HB3 ALA A 1 11.204 -1.756 11.038 1.00 1.00 H new ATOM 13 N ASP A 2 9.113 -1.508 13.876 1.00 1.00 N ATOM 14 CA ASP A 2 8.875 -2.818 14.442 1.00 1.00 C ATOM 15 C ASP A 2 8.708 -3.689 13.204 1.00 1.00 C ATOM 16 O ASP A 2 9.706 -4.114 12.626 1.00 1.00 O ATOM 17 CB ASP A 2 7.697 -2.795 15.436 1.00 1.00 C ATOM 18 CG ASP A 2 8.203 -3.025 16.863 1.00 1.00 C ATOM 19 OD1 ASP A 2 9.237 -2.414 17.212 1.00 1.00 O ATOM 20 OD2 ASP A 2 7.568 -3.824 17.582 1.00 1.00 O ATOM 0 H ASP A 2 8.297 -0.903 13.779 1.00 1.00 H new ATOM 0 HA ASP A 2 9.674 -3.210 15.072 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.180 -1.837 15.376 1.00 1.00 H new ATOM 0 HB3 ASP A 2 6.973 -3.565 15.171 1.00 1.00 H new ATOM 25 N LEU A 3 7.476 -3.843 12.720 1.00 1.00 N ATOM 26 CA LEU A 3 7.071 -4.464 11.474 1.00 1.00 C ATOM 27 C LEU A 3 5.546 -4.509 11.494 1.00 1.00 C ATOM 28 O LEU A 3 4.882 -4.185 10.514 1.00 1.00 O ATOM 29 CB LEU A 3 7.656 -5.886 11.328 1.00 1.00 C ATOM 30 CG LEU A 3 7.953 -6.151 9.853 1.00 1.00 C ATOM 31 CD1 LEU A 3 9.119 -7.123 9.669 1.00 1.00 C ATOM 32 CD2 LEU A 3 6.768 -6.830 9.191 1.00 1.00 C ATOM 0 H LEU A 3 6.669 -3.503 13.243 1.00 1.00 H new ATOM 0 HA LEU A 3 7.444 -3.894 10.624 1.00 1.00 H new ATOM 0 HB2 LEU A 3 8.567 -5.981 11.919 1.00 1.00 H new ATOM 0 HB3 LEU A 3 6.951 -6.625 11.709 1.00 1.00 H new ATOM 0 HG LEU A 3 8.180 -5.179 9.416 1.00 1.00 H new ATOM 0 HD11 LEU A 3 9.295 -7.283 8.605 1.00 1.00 H new ATOM 0 HD12 LEU A 3 10.016 -6.706 10.127 1.00 1.00 H new ATOM 0 HD13 LEU A 3 8.878 -8.074 10.144 1.00 1.00 H new ATOM 0 HD21 LEU A 3 6.994 -7.013 8.140 1.00 1.00 H new ATOM 0 HD22 LEU A 3 6.567 -7.778 9.689 1.00 1.00 H new ATOM 0 HD23 LEU A 3 5.891 -6.187 9.267 1.00 1.00 H new ATOM 44 N GLU A 4 5.026 -4.857 12.672 1.00 1.00 N ATOM 45 CA GLU A 4 3.618 -5.028 13.013 1.00 1.00 C ATOM 46 C GLU A 4 2.823 -3.770 12.680 1.00 1.00 C ATOM 47 O GLU A 4 1.747 -3.827 12.093 1.00 1.00 O ATOM 48 CB GLU A 4 3.537 -5.309 14.527 1.00 1.00 C ATOM 49 CG GLU A 4 3.442 -6.812 14.820 1.00 1.00 C ATOM 50 CD GLU A 4 3.569 -7.147 16.313 1.00 1.00 C ATOM 51 OE1 GLU A 4 3.922 -6.237 17.094 1.00 1.00 O ATOM 52 OE2 GLU A 4 3.324 -8.323 16.664 1.00 1.00 O ATOM 0 H GLU A 4 5.629 -5.040 13.474 1.00 1.00 H new ATOM 0 HA GLU A 4 3.194 -5.852 12.439 1.00 1.00 H new ATOM 0 HB2 GLU A 4 4.417 -4.897 15.021 1.00 1.00 H new ATOM 0 HB3 GLU A 4 2.668 -4.801 14.946 1.00 1.00 H new ATOM 0 HG2 GLU A 4 2.488 -7.188 14.450 1.00 1.00 H new ATOM 0 HG3 GLU A 4 4.225 -7.333 14.270 1.00 1.00 H new ATOM 59 N ASP A 5 3.381 -2.620 13.042 1.00 1.00 N ATOM 60 CA ASP A 5 2.763 -1.318 12.945 1.00 1.00 C ATOM 61 C ASP A 5 2.877 -0.837 11.514 1.00 1.00 C ATOM 62 O ASP A 5 2.025 -0.101 11.018 1.00 1.00 O ATOM 63 CB ASP A 5 3.438 -0.331 13.912 1.00 1.00 C ATOM 64 CG ASP A 5 4.970 -0.188 13.782 1.00 1.00 C ATOM 65 OD1 ASP A 5 5.642 -1.136 13.291 1.00 1.00 O ATOM 66 OD2 ASP A 5 5.465 0.871 14.224 1.00 1.00 O ATOM 0 H ASP A 5 4.324 -2.577 13.429 1.00 1.00 H new ATOM 0 HA ASP A 5 1.711 -1.383 13.223 1.00 1.00 H new ATOM 0 HB2 ASP A 5 2.989 0.652 13.767 1.00 1.00 H new ATOM 0 HB3 ASP A 5 3.208 -0.639 14.932 1.00 1.00 H new ATOM 71 N ASN A 6 3.903 -1.296 10.803 1.00 1.00 N ATOM 72 CA ASN A 6 4.060 -0.854 9.441 1.00 1.00 C ATOM 73 C ASN A 6 3.111 -1.611 8.528 1.00 1.00 C ATOM 74 O ASN A 6 2.611 -1.082 7.538 1.00 1.00 O ATOM 75 CB ASN A 6 5.508 -1.007 8.988 1.00 1.00 C ATOM 76 CG ASN A 6 6.385 -0.048 9.768 1.00 1.00 C ATOM 77 OD1 ASN A 6 5.921 0.987 10.226 1.00 1.00 O ATOM 78 ND2 ASN A 6 7.662 -0.351 9.914 1.00 1.00 N ATOM 0 H ASN A 6 4.609 -1.950 11.140 1.00 1.00 H new ATOM 0 HA ASN A 6 3.808 0.205 9.386 1.00 1.00 H new ATOM 0 HB2 ASN A 6 5.843 -2.032 9.145 1.00 1.00 H new ATOM 0 HB3 ASN A 6 5.590 -0.805 7.920 1.00 1.00 H new ATOM 0 HD21 ASN A 6 8.282 0.283 10.417 1.00 1.00 H new ATOM 0 HD22 ASN A 6 8.028 -1.220 9.524 1.00 1.00 H new ATOM 85 N MET A 7 2.846 -2.862 8.884 1.00 1.00 N ATOM 86 CA MET A 7 1.988 -3.750 8.144 1.00 1.00 C ATOM 87 C MET A 7 0.540 -3.367 8.380 1.00 1.00 C ATOM 88 O MET A 7 -0.237 -3.240 7.430 1.00 1.00 O ATOM 89 CB MET A 7 2.282 -5.169 8.634 1.00 1.00 C ATOM 90 CG MET A 7 3.509 -5.724 7.905 1.00 1.00 C ATOM 91 SD MET A 7 3.301 -5.824 6.104 1.00 1.00 S ATOM 92 CE MET A 7 4.897 -5.355 5.406 1.00 1.00 C ATOM 0 H MET A 7 3.239 -3.290 9.722 1.00 1.00 H new ATOM 0 HA MET A 7 2.169 -3.687 7.071 1.00 1.00 H new ATOM 0 HB2 MET A 7 2.458 -5.163 9.710 1.00 1.00 H new ATOM 0 HB3 MET A 7 1.420 -5.811 8.456 1.00 1.00 H new ATOM 0 HG2 MET A 7 4.370 -5.094 8.128 1.00 1.00 H new ATOM 0 HG3 MET A 7 3.733 -6.718 8.292 1.00 1.00 H new ATOM 0 HE1 MET A 7 4.802 -5.238 4.326 1.00 1.00 H new ATOM 0 HE2 MET A 7 5.224 -4.413 5.846 1.00 1.00 H new ATOM 0 HE3 MET A 7 5.631 -6.131 5.623 1.00 1.00 H new ATOM 102 N GLU A 8 0.177 -3.141 9.642 1.00 1.00 N ATOM 103 CA GLU A 8 -1.171 -2.701 9.925 1.00 1.00 C ATOM 104 C GLU A 8 -1.405 -1.347 9.282 1.00 1.00 C ATOM 105 O GLU A 8 -2.484 -1.130 8.755 1.00 1.00 O ATOM 106 CB GLU A 8 -1.472 -2.672 11.426 1.00 1.00 C ATOM 107 CG GLU A 8 -0.997 -1.389 12.120 1.00 1.00 C ATOM 108 CD GLU A 8 -1.288 -1.352 13.619 1.00 1.00 C ATOM 109 OE1 GLU A 8 -1.993 -2.264 14.105 1.00 1.00 O ATOM 110 OE2 GLU A 8 -0.838 -0.369 14.248 1.00 1.00 O ATOM 0 H GLU A 8 0.782 -3.253 10.456 1.00 1.00 H new ATOM 0 HA GLU A 8 -1.864 -3.424 9.495 1.00 1.00 H new ATOM 0 HB2 GLU A 8 -2.546 -2.780 11.575 1.00 1.00 H new ATOM 0 HB3 GLU A 8 -0.996 -3.530 11.901 1.00 1.00 H new ATOM 0 HG2 GLU A 8 0.076 -1.280 11.965 1.00 1.00 H new ATOM 0 HG3 GLU A 8 -1.476 -0.532 11.646 1.00 1.00 H new ATOM 117 N THR A 9 -0.414 -0.449 9.268 1.00 1.00 N ATOM 118 CA THR A 9 -0.605 0.864 8.676 1.00 1.00 C ATOM 119 C THR A 9 -0.795 0.731 7.169 1.00 1.00 C ATOM 120 O THR A 9 -1.695 1.359 6.617 1.00 1.00 O ATOM 121 CB THR A 9 0.553 1.796 9.054 1.00 1.00 C ATOM 122 OG1 THR A 9 0.436 2.129 10.417 1.00 1.00 O ATOM 123 CG2 THR A 9 0.512 3.119 8.291 1.00 1.00 C ATOM 0 H THR A 9 0.515 -0.611 9.657 1.00 1.00 H new ATOM 0 HA THR A 9 -1.511 1.320 9.074 1.00 1.00 H new ATOM 0 HB THR A 9 1.476 1.268 8.817 1.00 1.00 H new ATOM 0 HG1 THR A 9 0.916 1.467 10.958 1.00 1.00 H new ATOM 0 HG21 THR A 9 1.353 3.741 8.596 1.00 1.00 H new ATOM 0 HG22 THR A 9 0.574 2.924 7.220 1.00 1.00 H new ATOM 0 HG23 THR A 9 -0.421 3.637 8.511 1.00 1.00 H new ATOM 131 N LEU A 10 -0.021 -0.113 6.479 1.00 1.00 N ATOM 132 CA LEU A 10 -0.263 -0.361 5.058 1.00 1.00 C ATOM 133 C LEU A 10 -1.708 -0.800 4.827 1.00 1.00 C ATOM 134 O LEU A 10 -2.299 -0.490 3.793 1.00 1.00 O ATOM 135 CB LEU A 10 0.725 -1.406 4.510 1.00 1.00 C ATOM 136 CG LEU A 10 1.755 -0.791 3.547 1.00 1.00 C ATOM 137 CD1 LEU A 10 3.171 -0.902 4.093 1.00 1.00 C ATOM 138 CD2 LEU A 10 1.733 -1.517 2.211 1.00 1.00 C ATOM 0 H LEU A 10 0.766 -0.628 6.875 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.101 0.570 4.515 1.00 1.00 H new ATOM 0 HB2 LEU A 10 1.247 -1.880 5.342 1.00 1.00 H new ATOM 0 HB3 LEU A 10 0.171 -2.190 3.993 1.00 1.00 H new ATOM 0 HG LEU A 10 1.483 0.258 3.430 1.00 1.00 H new ATOM 0 HD11 LEU A 10 3.870 -0.457 3.385 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.236 -0.377 5.046 1.00 1.00 H new ATOM 0 HD13 LEU A 10 3.423 -1.952 4.240 1.00 1.00 H new ATOM 0 HD21 LEU A 10 2.467 -1.069 1.542 1.00 1.00 H new ATOM 0 HD22 LEU A 10 1.975 -2.569 2.364 1.00 1.00 H new ATOM 0 HD23 LEU A 10 0.740 -1.434 1.768 1.00 1.00 H new ATOM 150 N ASN A 11 -2.286 -1.503 5.799 1.00 1.00 N ATOM 151 CA ASN A 11 -3.645 -2.008 5.672 1.00 1.00 C ATOM 152 C ASN A 11 -4.657 -0.904 5.928 1.00 1.00 C ATOM 153 O ASN A 11 -5.647 -0.778 5.213 1.00 1.00 O ATOM 154 CB ASN A 11 -3.866 -3.146 6.673 1.00 1.00 C ATOM 155 CG ASN A 11 -4.951 -4.086 6.176 1.00 1.00 C ATOM 156 OD1 ASN A 11 -4.944 -4.492 5.019 1.00 1.00 O ATOM 157 ND2 ASN A 11 -5.875 -4.495 7.034 1.00 1.00 N ATOM 0 H ASN A 11 -1.831 -1.734 6.682 1.00 1.00 H new ATOM 0 HA ASN A 11 -3.783 -2.377 4.656 1.00 1.00 H new ATOM 0 HB2 ASN A 11 -2.937 -3.697 6.817 1.00 1.00 H new ATOM 0 HB3 ASN A 11 -4.148 -2.736 7.643 1.00 1.00 H new ATOM 0 HD21 ASN A 11 -6.592 -5.156 6.735 1.00 1.00 H new ATOM 0 HD22 ASN A 11 -5.869 -4.149 7.994 1.00 1.00 H new ATOM 164 N ASP A 12 -4.400 -0.104 6.958 1.00 1.00 N ATOM 165 CA ASP A 12 -5.298 0.938 7.420 1.00 1.00 C ATOM 166 C ASP A 12 -5.499 1.941 6.304 1.00 1.00 C ATOM 167 O ASP A 12 -6.628 2.280 5.978 1.00 1.00 O ATOM 168 CB ASP A 12 -4.732 1.631 8.660 1.00 1.00 C ATOM 169 CG ASP A 12 -5.801 2.515 9.310 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.880 1.969 9.658 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.532 3.728 9.452 1.00 1.00 O ATOM 0 H ASP A 12 -3.541 -0.167 7.504 1.00 1.00 H new ATOM 0 HA ASP A 12 -6.255 0.494 7.693 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.384 0.885 9.374 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.868 2.236 8.384 1.00 1.00 H new ATOM 176 N ASN A 13 -4.403 2.334 5.653 1.00 1.00 N ATOM 177 CA ASN A 13 -4.426 3.241 4.510 1.00 1.00 C ATOM 178 C ASN A 13 -5.263 2.670 3.373 1.00 1.00 C ATOM 179 O ASN A 13 -6.037 3.400 2.754 1.00 1.00 O ATOM 180 CB ASN A 13 -3.014 3.550 4.044 1.00 1.00 C ATOM 181 CG ASN A 13 -2.286 4.320 5.129 1.00 1.00 C ATOM 182 OD1 ASN A 13 -2.746 5.355 5.594 1.00 1.00 O ATOM 183 ND2 ASN A 13 -1.175 3.785 5.600 1.00 1.00 N ATOM 0 H ASN A 13 -3.465 2.027 5.909 1.00 1.00 H new ATOM 0 HA ASN A 13 -4.892 4.174 4.828 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -2.482 2.625 3.819 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -3.042 4.134 3.124 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -0.679 4.235 6.369 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -0.813 2.922 5.195 1.00 1.00 H new ATOM 190 N LEU A 14 -5.172 1.358 3.127 1.00 1.00 N ATOM 191 CA LEU A 14 -6.033 0.726 2.138 1.00 1.00 C ATOM 192 C LEU A 14 -7.485 0.837 2.579 1.00 1.00 C ATOM 193 O LEU A 14 -8.373 1.032 1.763 1.00 1.00 O ATOM 194 CB LEU A 14 -5.674 -0.758 1.930 1.00 1.00 C ATOM 195 CG LEU A 14 -5.491 -1.047 0.434 1.00 1.00 C ATOM 196 CD1 LEU A 14 -4.043 -0.741 0.083 1.00 1.00 C ATOM 197 CD2 LEU A 14 -5.792 -2.498 0.068 1.00 1.00 C ATOM 0 H LEU A 14 -4.520 0.727 3.594 1.00 1.00 H new ATOM 0 HA LEU A 14 -5.886 1.244 1.190 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -4.758 -0.999 2.470 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -6.461 -1.392 2.338 1.00 1.00 H new ATOM 0 HG LEU A 14 -6.193 -0.427 -0.123 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.876 -0.936 -0.976 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.830 0.306 0.297 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.383 -1.374 0.676 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -5.645 -2.641 -1.003 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -5.122 -3.159 0.618 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -6.825 -2.732 0.327 1.00 1.00 H new ATOM 209 N LYS A 15 -7.756 0.767 3.878 1.00 1.00 N ATOM 210 CA LYS A 15 -9.117 0.916 4.356 1.00 1.00 C ATOM 211 C LYS A 15 -9.564 2.350 4.126 1.00 1.00 C ATOM 212 O LYS A 15 -10.730 2.579 3.818 1.00 1.00 O ATOM 213 CB LYS A 15 -9.207 0.485 5.827 1.00 1.00 C ATOM 214 CG LYS A 15 -9.835 1.541 6.746 1.00 1.00 C ATOM 215 CD LYS A 15 -9.916 0.994 8.169 1.00 1.00 C ATOM 216 CE LYS A 15 -9.707 2.155 9.138 1.00 1.00 C ATOM 217 NZ LYS A 15 -9.644 1.684 10.532 1.00 1.00 N ATOM 0 H LYS A 15 -7.059 0.610 4.606 1.00 1.00 H new ATOM 0 HA LYS A 15 -9.796 0.267 3.803 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -9.792 -0.433 5.892 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -8.206 0.251 6.189 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -9.239 2.454 6.729 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -10.831 1.804 6.389 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -10.884 0.524 8.341 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -9.158 0.227 8.325 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -8.785 2.679 8.887 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -10.521 2.872 9.031 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -10.126 2.366 11.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -10.111 0.758 10.607 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -8.650 1.595 10.824 1.00 1.00 H new ATOM 231 N VAL A 16 -8.667 3.330 4.258 1.00 1.00 N ATOM 232 CA VAL A 16 -9.093 4.705 4.053 1.00 1.00 C ATOM 233 C VAL A 16 -9.508 4.858 2.599 1.00 1.00 C ATOM 234 O VAL A 16 -10.462 5.570 2.305 1.00 1.00 O ATOM 235 CB VAL A 16 -8.001 5.731 4.377 1.00 1.00 C ATOM 236 CG1 VAL A 16 -8.660 7.105 4.556 1.00 1.00 C ATOM 237 CG2 VAL A 16 -7.218 5.437 5.647 1.00 1.00 C ATOM 0 H VAL A 16 -7.683 3.202 4.496 1.00 1.00 H new ATOM 0 HA VAL A 16 -9.920 4.903 4.735 1.00 1.00 H new ATOM 0 HB VAL A 16 -7.297 5.694 3.546 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -7.896 7.847 4.787 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -9.172 7.386 3.636 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -9.381 7.059 5.373 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -6.467 6.212 5.799 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -7.899 5.419 6.498 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -6.726 4.469 5.555 1.00 1.00 H new ATOM 247 N ILE A 17 -8.823 4.171 1.684 1.00 1.00 N ATOM 248 CA ILE A 17 -9.124 4.315 0.274 1.00 1.00 C ATOM 249 C ILE A 17 -10.520 3.761 -0.041 1.00 1.00 C ATOM 250 O ILE A 17 -11.188 4.265 -0.937 1.00 1.00 O ATOM 251 CB ILE A 17 -8.009 3.655 -0.556 1.00 1.00 C ATOM 252 CG1 ILE A 17 -7.705 4.593 -1.724 1.00 1.00 C ATOM 253 CG2 ILE A 17 -8.346 2.265 -1.107 1.00 1.00 C ATOM 254 CD1 ILE A 17 -6.640 4.051 -2.679 1.00 1.00 C ATOM 0 H ILE A 17 -8.067 3.520 1.897 1.00 1.00 H new ATOM 0 HA ILE A 17 -9.151 5.370 0.003 1.00 1.00 H new ATOM 0 HB ILE A 17 -7.160 3.500 0.109 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -8.623 4.775 -2.282 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -7.374 5.555 -1.331 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -7.498 1.884 -1.677 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -8.561 1.588 -0.280 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -9.219 2.333 -1.756 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -6.474 4.767 -3.484 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -5.709 3.895 -2.135 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -6.977 3.104 -3.100 1.00 1.00 H new ATOM 266 N GLU A 18 -10.999 2.765 0.719 1.00 1.00 N ATOM 267 CA GLU A 18 -12.337 2.205 0.525 1.00 1.00 C ATOM 268 C GLU A 18 -13.446 3.157 0.992 1.00 1.00 C ATOM 269 O GLU A 18 -14.625 2.871 0.797 1.00 1.00 O ATOM 270 CB GLU A 18 -12.488 0.870 1.269 1.00 1.00 C ATOM 271 CG GLU A 18 -11.567 -0.232 0.739 1.00 1.00 C ATOM 272 CD GLU A 18 -12.066 -1.602 1.204 1.00 1.00 C ATOM 273 OE1 GLU A 18 -11.939 -1.877 2.419 1.00 1.00 O ATOM 274 OE2 GLU A 18 -12.589 -2.348 0.348 1.00 1.00 O ATOM 0 H GLU A 18 -10.473 2.331 1.477 1.00 1.00 H new ATOM 0 HA GLU A 18 -12.446 2.049 -0.548 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -12.281 1.028 2.328 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -13.523 0.536 1.193 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -11.535 -0.198 -0.350 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -10.549 -0.068 1.093 1.00 1.00 H new ATOM 281 N LYS A 19 -13.100 4.279 1.626 1.00 1.00 N ATOM 282 CA LYS A 19 -14.069 5.232 2.165 1.00 1.00 C ATOM 283 C LYS A 19 -13.950 6.601 1.541 1.00 1.00 C ATOM 284 O LYS A 19 -14.933 7.330 1.453 1.00 1.00 O ATOM 285 CB LYS A 19 -13.764 5.446 3.641 1.00 1.00 C ATOM 286 CG LYS A 19 -14.248 4.260 4.459 1.00 1.00 C ATOM 287 CD LYS A 19 -13.171 3.745 5.418 1.00 1.00 C ATOM 288 CE LYS A 19 -13.832 3.570 6.776 1.00 1.00 C ATOM 289 NZ LYS A 19 -14.876 2.528 6.704 1.00 1.00 N ATOM 0 H LYS A 19 -12.130 4.553 1.781 1.00 1.00 H new ATOM 0 HA LYS A 19 -15.057 4.817 1.968 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -12.691 5.580 3.782 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -14.247 6.358 3.990 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -15.132 4.549 5.028 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -14.550 3.456 3.788 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -12.760 2.799 5.064 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -12.342 4.449 5.481 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -13.084 3.295 7.520 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -14.271 4.514 7.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -15.045 2.140 7.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -15.756 2.943 6.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -14.563 1.766 6.070 1.00 1.00 H new ATOM 303 N ALA A 20 -12.717 6.997 1.259 1.00 1.00 N ATOM 304 CA ALA A 20 -12.395 8.363 0.972 1.00 1.00 C ATOM 305 C ALA A 20 -13.004 8.677 -0.379 1.00 1.00 C ATOM 306 O ALA A 20 -12.616 8.102 -1.392 1.00 1.00 O ATOM 307 CB ALA A 20 -10.882 8.501 0.983 1.00 1.00 C ATOM 0 H ALA A 20 -11.916 6.366 1.226 1.00 1.00 H new ATOM 0 HA ALA A 20 -12.791 9.066 1.705 1.00 1.00 H new ATOM 0 HB1 ALA A 20 -10.609 9.534 0.767 1.00 1.00 H new ATOM 0 HB2 ALA A 20 -10.498 8.222 1.964 1.00 1.00 H new ATOM 0 HB3 ALA A 20 -10.451 7.846 0.226 1.00 1.00 H new ATOM 313 N ASP A 21 -13.981 9.576 -0.388 1.00 1.00 N ATOM 314 CA ASP A 21 -14.754 9.837 -1.597 1.00 1.00 C ATOM 315 C ASP A 21 -14.078 10.932 -2.420 1.00 1.00 C ATOM 316 O ASP A 21 -14.596 11.394 -3.432 1.00 1.00 O ATOM 317 CB ASP A 21 -16.194 10.201 -1.228 1.00 1.00 C ATOM 318 CG ASP A 21 -17.113 10.154 -2.451 1.00 1.00 C ATOM 319 OD1 ASP A 21 -17.005 9.166 -3.213 1.00 1.00 O ATOM 320 OD2 ASP A 21 -17.942 11.082 -2.580 1.00 1.00 O ATOM 0 H ASP A 21 -14.256 10.133 0.421 1.00 1.00 H new ATOM 0 HA ASP A 21 -14.791 8.938 -2.213 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -16.562 9.512 -0.468 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -16.218 11.199 -0.791 1.00 1.00 H new ATOM 325 N ASN A 22 -12.899 11.381 -1.983 1.00 1.00 N ATOM 326 CA ASN A 22 -12.178 12.450 -2.625 1.00 1.00 C ATOM 327 C ASN A 22 -10.700 12.102 -2.666 1.00 1.00 C ATOM 328 O ASN A 22 -10.168 11.369 -1.832 1.00 1.00 O ATOM 329 CB ASN A 22 -12.435 13.782 -1.906 1.00 1.00 C ATOM 330 CG ASN A 22 -12.205 13.726 -0.398 1.00 1.00 C ATOM 331 OD1 ASN A 22 -11.178 13.255 0.063 1.00 1.00 O ATOM 332 ND2 ASN A 22 -13.129 14.228 0.407 1.00 1.00 N ATOM 0 H ASN A 22 -12.425 11.000 -1.164 1.00 1.00 H new ATOM 0 HA ASN A 22 -12.530 12.570 -3.649 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -11.786 14.546 -2.334 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -13.462 14.094 -2.096 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -12.984 14.222 1.417 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -13.986 14.621 0.017 1.00 1.00 H new ATOM 339 N ALA A 23 -10.040 12.645 -3.686 1.00 1.00 N ATOM 340 CA ALA A 23 -8.628 12.404 -3.918 1.00 1.00 C ATOM 341 C ALA A 23 -7.802 12.915 -2.739 1.00 1.00 C ATOM 342 O ALA A 23 -6.728 12.387 -2.482 1.00 1.00 O ATOM 343 CB ALA A 23 -8.206 13.074 -5.228 1.00 1.00 C ATOM 0 H ALA A 23 -10.473 13.263 -4.372 1.00 1.00 H new ATOM 0 HA ALA A 23 -8.449 11.332 -4.005 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.145 12.894 -5.404 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -8.786 12.659 -6.052 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -8.386 14.147 -5.162 1.00 1.00 H new ATOM 349 N ALA A 24 -8.301 13.917 -2.011 1.00 1.00 N ATOM 350 CA ALA A 24 -7.628 14.469 -0.848 1.00 1.00 C ATOM 351 C ALA A 24 -7.335 13.371 0.174 1.00 1.00 C ATOM 352 O ALA A 24 -6.175 13.075 0.447 1.00 1.00 O ATOM 353 CB ALA A 24 -8.464 15.615 -0.256 1.00 1.00 C ATOM 0 H ALA A 24 -9.192 14.367 -2.220 1.00 1.00 H new ATOM 0 HA ALA A 24 -6.666 14.885 -1.147 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -7.954 16.025 0.616 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -8.590 16.398 -1.004 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -9.442 15.236 0.041 1.00 1.00 H new ATOM 359 N GLN A 25 -8.377 12.755 0.729 1.00 1.00 N ATOM 360 CA GLN A 25 -8.238 11.750 1.768 1.00 1.00 C ATOM 361 C GLN A 25 -7.599 10.479 1.218 1.00 1.00 C ATOM 362 O GLN A 25 -6.776 9.876 1.903 1.00 1.00 O ATOM 363 CB GLN A 25 -9.604 11.433 2.378 1.00 1.00 C ATOM 364 CG GLN A 25 -10.095 12.497 3.362 1.00 1.00 C ATOM 365 CD GLN A 25 -11.443 12.079 3.951 1.00 1.00 C ATOM 366 OE1 GLN A 25 -12.047 11.098 3.533 1.00 1.00 O ATOM 367 NE2 GLN A 25 -11.950 12.810 4.934 1.00 1.00 N ATOM 0 H GLN A 25 -9.344 12.944 0.466 1.00 1.00 H new ATOM 0 HA GLN A 25 -7.585 12.149 2.544 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -10.335 11.326 1.577 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -9.550 10.473 2.891 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -9.365 12.631 4.161 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -10.192 13.457 2.855 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -11.442 13.625 5.277 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -12.848 12.557 5.347 1.00 1.00 H new ATOM 376 N VAL A 26 -7.923 10.083 -0.019 1.00 1.00 N ATOM 377 CA VAL A 26 -7.257 8.942 -0.644 1.00 1.00 C ATOM 378 C VAL A 26 -5.737 9.165 -0.633 1.00 1.00 C ATOM 379 O VAL A 26 -4.980 8.245 -0.337 1.00 1.00 O ATOM 380 CB VAL A 26 -7.816 8.755 -2.068 1.00 1.00 C ATOM 381 CG1 VAL A 26 -6.894 7.969 -3.002 1.00 1.00 C ATOM 382 CG2 VAL A 26 -9.162 8.029 -1.984 1.00 1.00 C ATOM 0 H VAL A 26 -8.633 10.531 -0.598 1.00 1.00 H new ATOM 0 HA VAL A 26 -7.452 8.026 -0.087 1.00 1.00 H new ATOM 0 HB VAL A 26 -7.916 9.754 -2.493 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -7.360 7.881 -3.984 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -5.942 8.491 -3.097 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -6.723 6.974 -2.591 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -9.565 7.892 -2.988 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -9.022 7.056 -1.514 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -9.859 8.622 -1.391 1.00 1.00 H new ATOM 392 N LYS A 27 -5.271 10.381 -0.937 1.00 1.00 N ATOM 393 CA LYS A 27 -3.844 10.672 -1.063 1.00 1.00 C ATOM 394 C LYS A 27 -3.167 10.814 0.288 1.00 1.00 C ATOM 395 O LYS A 27 -2.010 10.424 0.439 1.00 1.00 O ATOM 396 CB LYS A 27 -3.644 11.962 -1.852 1.00 1.00 C ATOM 397 CG LYS A 27 -3.884 11.620 -3.317 1.00 1.00 C ATOM 398 CD LYS A 27 -4.085 12.839 -4.200 1.00 1.00 C ATOM 399 CE LYS A 27 -2.922 13.833 -4.157 1.00 1.00 C ATOM 400 NZ LYS A 27 -3.285 15.062 -3.422 1.00 1.00 N ATOM 0 H LYS A 27 -5.873 11.188 -1.102 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.390 9.830 -1.585 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -4.337 12.733 -1.516 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.637 12.353 -1.706 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -3.036 11.046 -3.691 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -4.762 10.978 -3.393 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.232 12.510 -5.229 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.998 13.350 -3.895 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -2.060 13.365 -3.682 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -2.625 14.091 -5.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -2.474 15.713 -3.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -4.092 15.521 -3.890 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -3.545 14.818 -2.445 1.00 1.00 H new ATOM 414 N ASP A 28 -3.864 11.411 1.248 1.00 1.00 N ATOM 415 CA ASP A 28 -3.346 11.666 2.581 1.00 1.00 C ATOM 416 C ASP A 28 -3.087 10.329 3.276 1.00 1.00 C ATOM 417 O ASP A 28 -2.010 10.062 3.805 1.00 1.00 O ATOM 418 CB ASP A 28 -4.371 12.530 3.325 1.00 1.00 C ATOM 419 CG ASP A 28 -3.872 12.981 4.693 1.00 1.00 C ATOM 420 OD1 ASP A 28 -2.638 13.106 4.840 1.00 1.00 O ATOM 421 OD2 ASP A 28 -4.741 13.227 5.557 1.00 1.00 O ATOM 0 H ASP A 28 -4.822 11.736 1.116 1.00 1.00 H new ATOM 0 HA ASP A 28 -2.399 12.205 2.556 1.00 1.00 H new ATOM 0 HB2 ASP A 28 -4.609 13.406 2.722 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -5.296 11.966 3.447 1.00 1.00 H new ATOM 426 N ALA A 29 -4.043 9.409 3.161 1.00 1.00 N ATOM 427 CA ALA A 29 -3.846 8.046 3.616 1.00 1.00 C ATOM 428 C ALA A 29 -2.728 7.368 2.831 1.00 1.00 C ATOM 429 O ALA A 29 -1.796 6.806 3.406 1.00 1.00 O ATOM 430 CB ALA A 29 -5.157 7.290 3.452 1.00 1.00 C ATOM 0 H ALA A 29 -4.961 9.589 2.755 1.00 1.00 H new ATOM 0 HA ALA A 29 -3.550 8.048 4.665 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -5.029 6.262 3.789 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -5.932 7.773 4.047 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -5.450 7.294 2.402 1.00 1.00 H new ATOM 436 N LEU A 30 -2.780 7.416 1.500 1.00 1.00 N ATOM 437 CA LEU A 30 -1.790 6.694 0.716 1.00 1.00 C ATOM 438 C LEU A 30 -0.366 7.194 1.003 1.00 1.00 C ATOM 439 O LEU A 30 0.595 6.434 0.898 1.00 1.00 O ATOM 440 CB LEU A 30 -2.080 6.829 -0.789 1.00 1.00 C ATOM 441 CG LEU A 30 -3.158 5.873 -1.313 1.00 1.00 C ATOM 442 CD1 LEU A 30 -3.630 6.323 -2.696 1.00 1.00 C ATOM 443 CD2 LEU A 30 -2.587 4.466 -1.476 1.00 1.00 C ATOM 0 H LEU A 30 -3.475 7.931 0.960 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.857 5.646 1.007 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -2.388 7.854 -0.997 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -1.157 6.655 -1.342 1.00 1.00 H new ATOM 0 HG LEU A 30 -3.980 5.877 -0.597 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.396 5.638 -3.060 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.045 7.329 -2.629 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -2.786 6.324 -3.386 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.364 3.799 -1.849 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.759 4.489 -2.184 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -2.230 4.104 -0.512 1.00 1.00 H new ATOM 455 N THR A 31 -0.221 8.453 1.420 1.00 1.00 N ATOM 456 CA THR A 31 1.047 9.005 1.868 1.00 1.00 C ATOM 457 C THR A 31 1.555 8.205 3.060 1.00 1.00 C ATOM 458 O THR A 31 2.710 7.771 3.079 1.00 1.00 O ATOM 459 CB THR A 31 0.841 10.490 2.195 1.00 1.00 C ATOM 460 OG1 THR A 31 0.828 11.189 0.971 1.00 1.00 O ATOM 461 CG2 THR A 31 1.881 11.084 3.150 1.00 1.00 C ATOM 0 H THR A 31 -0.992 9.120 1.454 1.00 1.00 H new ATOM 0 HA THR A 31 1.808 8.934 1.091 1.00 1.00 H new ATOM 0 HB THR A 31 -0.102 10.589 2.732 1.00 1.00 H new ATOM 0 HG1 THR A 31 -0.057 11.110 0.558 1.00 1.00 H new ATOM 0 HG21 THR A 31 1.656 12.136 3.324 1.00 1.00 H new ATOM 0 HG22 THR A 31 1.854 10.546 4.098 1.00 1.00 H new ATOM 0 HG23 THR A 31 2.874 10.993 2.709 1.00 1.00 H new ATOM 469 N LYS A 32 0.689 7.963 4.045 1.00 1.00 N ATOM 470 CA LYS A 32 1.085 7.188 5.206 1.00 1.00 C ATOM 471 C LYS A 32 1.472 5.771 4.799 1.00 1.00 C ATOM 472 O LYS A 32 2.354 5.187 5.417 1.00 1.00 O ATOM 473 CB LYS A 32 -0.053 7.133 6.226 1.00 1.00 C ATOM 474 CG LYS A 32 0.428 7.479 7.636 1.00 1.00 C ATOM 475 CD LYS A 32 -0.428 6.734 8.665 1.00 1.00 C ATOM 476 CE LYS A 32 -0.790 7.641 9.836 1.00 1.00 C ATOM 477 NZ LYS A 32 -1.525 6.888 10.874 1.00 1.00 N ATOM 0 H LYS A 32 -0.277 8.290 4.057 1.00 1.00 H new ATOM 0 HA LYS A 32 1.948 7.676 5.659 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -0.840 7.827 5.930 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -0.492 6.135 6.227 1.00 1.00 H new ATOM 0 HG2 LYS A 32 1.476 7.204 7.752 1.00 1.00 H new ATOM 0 HG3 LYS A 32 0.360 8.554 7.801 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -1.338 6.368 8.189 1.00 1.00 H new ATOM 0 HD3 LYS A 32 0.114 5.862 9.030 1.00 1.00 H new ATOM 0 HE2 LYS A 32 0.116 8.069 10.264 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -1.400 8.473 9.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -1.762 7.524 11.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -2.400 6.500 10.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -0.931 6.109 11.224 1.00 1.00 H new ATOM 491 N MET A 33 0.848 5.215 3.758 1.00 1.00 N ATOM 492 CA MET A 33 1.190 3.910 3.244 1.00 1.00 C ATOM 493 C MET A 33 2.636 3.882 2.801 1.00 1.00 C ATOM 494 O MET A 33 3.379 2.960 3.120 1.00 1.00 O ATOM 495 CB MET A 33 0.284 3.645 2.046 1.00 1.00 C ATOM 496 CG MET A 33 -0.292 2.256 2.142 1.00 1.00 C ATOM 497 SD MET A 33 -1.783 2.138 1.150 1.00 1.00 S ATOM 498 CE MET A 33 -1.300 0.649 0.305 1.00 1.00 C ATOM 0 H MET A 33 0.088 5.670 3.253 1.00 1.00 H new ATOM 0 HA MET A 33 1.057 3.151 4.015 1.00 1.00 H new ATOM 0 HB2 MET A 33 -0.519 4.381 2.016 1.00 1.00 H new ATOM 0 HB3 MET A 33 0.849 3.752 1.120 1.00 1.00 H new ATOM 0 HG2 MET A 33 0.441 1.525 1.800 1.00 1.00 H new ATOM 0 HG3 MET A 33 -0.518 2.018 3.182 1.00 1.00 H new ATOM 0 HE1 MET A 33 -1.827 0.584 -0.647 1.00 1.00 H new ATOM 0 HE2 MET A 33 -0.225 0.665 0.125 1.00 1.00 H new ATOM 0 HE3 MET A 33 -1.552 -0.216 0.919 1.00 1.00 H new ATOM 508 N ARG A 34 3.028 4.913 2.058 1.00 1.00 N ATOM 509 CA ARG A 34 4.363 5.013 1.510 1.00 1.00 C ATOM 510 C ARG A 34 5.369 5.056 2.654 1.00 1.00 C ATOM 511 O ARG A 34 6.348 4.317 2.641 1.00 1.00 O ATOM 512 CB ARG A 34 4.419 6.257 0.618 1.00 1.00 C ATOM 513 CG ARG A 34 5.298 6.012 -0.607 1.00 1.00 C ATOM 514 CD ARG A 34 5.432 7.316 -1.396 1.00 1.00 C ATOM 515 NE ARG A 34 6.451 8.175 -0.779 1.00 1.00 N ATOM 516 CZ ARG A 34 6.990 9.268 -1.328 1.00 1.00 C ATOM 517 NH1 ARG A 34 6.546 9.729 -2.497 1.00 1.00 N ATOM 518 NH2 ARG A 34 7.984 9.891 -0.692 1.00 1.00 N ATOM 0 H ARG A 34 2.423 5.700 1.823 1.00 1.00 H new ATOM 0 HA ARG A 34 4.617 4.148 0.897 1.00 1.00 H new ATOM 0 HB2 ARG A 34 3.412 6.526 0.300 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.809 7.100 1.188 1.00 1.00 H new ATOM 0 HG2 ARG A 34 6.281 5.656 -0.299 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.860 5.236 -1.235 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.705 7.099 -2.429 1.00 1.00 H new ATOM 0 HD3 ARG A 34 4.474 7.835 -1.421 1.00 1.00 H new ATOM 0 HE ARG A 34 6.777 7.914 0.152 1.00 1.00 H new ATOM 0 HH11 ARG A 34 5.788 9.247 -2.981 1.00 1.00 H new ATOM 0 HH12 ARG A 34 6.964 10.564 -2.908 1.00 1.00 H new ATOM 0 HH21 ARG A 34 8.323 9.532 0.201 1.00 1.00 H new ATOM 0 HH22 ARG A 34 8.405 10.726 -1.099 1.00 1.00 H new ATOM 532 N ALA A 35 5.100 5.877 3.671 1.00 1.00 N ATOM 533 CA ALA A 35 5.930 5.956 4.867 1.00 1.00 C ATOM 534 C ALA A 35 6.055 4.586 5.541 1.00 1.00 C ATOM 535 O ALA A 35 7.147 4.160 5.907 1.00 1.00 O ATOM 536 CB ALA A 35 5.345 7.002 5.829 1.00 1.00 C ATOM 0 H ALA A 35 4.297 6.506 3.685 1.00 1.00 H new ATOM 0 HA ALA A 35 6.935 6.266 4.583 1.00 1.00 H new ATOM 0 HB1 ALA A 35 5.965 7.061 6.723 1.00 1.00 H new ATOM 0 HB2 ALA A 35 5.322 7.975 5.338 1.00 1.00 H new ATOM 0 HB3 ALA A 35 4.332 6.713 6.109 1.00 1.00 H new ATOM 542 N ALA A 36 4.948 3.866 5.689 1.00 1.00 N ATOM 543 CA ALA A 36 4.969 2.572 6.345 1.00 1.00 C ATOM 544 C ALA A 36 5.723 1.535 5.511 1.00 1.00 C ATOM 545 O ALA A 36 6.371 0.663 6.072 1.00 1.00 O ATOM 546 CB ALA A 36 3.534 2.129 6.623 1.00 1.00 C ATOM 0 H ALA A 36 4.028 4.160 5.362 1.00 1.00 H new ATOM 0 HA ALA A 36 5.504 2.660 7.291 1.00 1.00 H new ATOM 0 HB1 ALA A 36 3.542 1.157 7.116 1.00 1.00 H new ATOM 0 HB2 ALA A 36 3.046 2.859 7.269 1.00 1.00 H new ATOM 0 HB3 ALA A 36 2.988 2.054 5.683 1.00 1.00 H new ATOM 552 N ALA A 37 5.696 1.629 4.183 1.00 1.00 N ATOM 553 CA ALA A 37 6.392 0.703 3.303 1.00 1.00 C ATOM 554 C ALA A 37 7.890 0.956 3.375 1.00 1.00 C ATOM 555 O ALA A 37 8.688 0.028 3.287 1.00 1.00 O ATOM 556 CB ALA A 37 5.917 0.896 1.857 1.00 1.00 C ATOM 0 H ALA A 37 5.184 2.358 3.687 1.00 1.00 H new ATOM 0 HA ALA A 37 6.176 -0.317 3.622 1.00 1.00 H new ATOM 0 HB1 ALA A 37 6.443 0.199 1.205 1.00 1.00 H new ATOM 0 HB2 ALA A 37 4.845 0.709 1.798 1.00 1.00 H new ATOM 0 HB3 ALA A 37 6.125 1.918 1.539 1.00 1.00 H new ATOM 562 N LEU A 38 8.269 2.222 3.541 1.00 1.00 N ATOM 563 CA LEU A 38 9.624 2.686 3.606 1.00 1.00 C ATOM 564 C LEU A 38 10.242 2.090 4.878 1.00 1.00 C ATOM 565 O LEU A 38 11.369 1.602 4.859 1.00 1.00 O ATOM 566 CB LEU A 38 9.472 4.222 3.566 1.00 1.00 C ATOM 567 CG LEU A 38 10.716 5.073 3.376 1.00 1.00 C ATOM 568 CD1 LEU A 38 11.634 4.808 4.551 1.00 1.00 C ATOM 569 CD2 LEU A 38 11.366 4.808 2.019 1.00 1.00 C ATOM 0 H LEU A 38 7.592 2.979 3.637 1.00 1.00 H new ATOM 0 HA LEU A 38 10.301 2.387 2.806 1.00 1.00 H new ATOM 0 HB2 LEU A 38 8.779 4.465 2.760 1.00 1.00 H new ATOM 0 HB3 LEU A 38 8.999 4.532 4.498 1.00 1.00 H new ATOM 0 HG LEU A 38 10.468 6.134 3.361 1.00 1.00 H new ATOM 0 HD11 LEU A 38 12.540 5.405 4.447 1.00 1.00 H new ATOM 0 HD12 LEU A 38 11.127 5.078 5.477 1.00 1.00 H new ATOM 0 HD13 LEU A 38 11.897 3.750 4.576 1.00 1.00 H new ATOM 0 HD21 LEU A 38 12.254 5.432 1.913 1.00 1.00 H new ATOM 0 HD22 LEU A 38 11.650 3.758 1.951 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.659 5.045 1.224 1.00 1.00 H new ATOM 581 N ASP A 39 9.480 2.054 5.974 1.00 1.00 N ATOM 582 CA ASP A 39 9.984 1.595 7.263 1.00 1.00 C ATOM 583 C ASP A 39 9.956 0.072 7.332 1.00 1.00 C ATOM 584 O ASP A 39 10.856 -0.568 7.865 1.00 1.00 O ATOM 585 CB ASP A 39 9.126 2.195 8.373 1.00 1.00 C ATOM 586 CG ASP A 39 9.864 2.191 9.723 1.00 1.00 C ATOM 587 OD1 ASP A 39 11.101 2.379 9.731 1.00 1.00 O ATOM 588 OD2 ASP A 39 9.214 1.913 10.755 1.00 1.00 O ATOM 0 H ASP A 39 8.501 2.341 5.989 1.00 1.00 H new ATOM 0 HA ASP A 39 11.017 1.919 7.387 1.00 1.00 H new ATOM 0 HB2 ASP A 39 8.852 3.217 8.110 1.00 1.00 H new ATOM 0 HB3 ASP A 39 8.198 1.630 8.463 1.00 1.00 H new ATOM 593 N ALA A 40 8.943 -0.534 6.719 1.00 1.00 N ATOM 594 CA ALA A 40 8.862 -1.971 6.529 1.00 1.00 C ATOM 595 C ALA A 40 10.031 -2.503 5.693 1.00 1.00 C ATOM 596 O ALA A 40 10.515 -3.606 5.937 1.00 1.00 O ATOM 597 CB ALA A 40 7.538 -2.280 5.840 1.00 1.00 C ATOM 0 H ALA A 40 8.145 -0.028 6.336 1.00 1.00 H new ATOM 0 HA ALA A 40 8.918 -2.464 7.500 1.00 1.00 H new ATOM 0 HB1 ALA A 40 7.451 -3.355 5.685 1.00 1.00 H new ATOM 0 HB2 ALA A 40 6.714 -1.936 6.465 1.00 1.00 H new ATOM 0 HB3 ALA A 40 7.501 -1.770 4.877 1.00 1.00 H new ATOM 603 N GLN A 41 10.530 -1.715 4.734 1.00 1.00 N ATOM 604 CA GLN A 41 11.711 -2.088 3.963 1.00 1.00 C ATOM 605 C GLN A 41 12.955 -2.119 4.865 1.00 1.00 C ATOM 606 O GLN A 41 13.956 -2.744 4.525 1.00 1.00 O ATOM 607 CB GLN A 41 11.907 -1.100 2.801 1.00 1.00 C ATOM 608 CG GLN A 41 12.685 -1.725 1.632 1.00 1.00 C ATOM 609 CD GLN A 41 13.679 -0.741 1.016 1.00 1.00 C ATOM 610 OE1 GLN A 41 14.700 -0.413 1.603 1.00 1.00 O ATOM 611 NE2 GLN A 41 13.437 -0.260 -0.198 1.00 1.00 N ATOM 0 H GLN A 41 10.129 -0.813 4.476 1.00 1.00 H new ATOM 0 HA GLN A 41 11.566 -3.088 3.553 1.00 1.00 H new ATOM 0 HB2 GLN A 41 10.934 -0.760 2.447 1.00 1.00 H new ATOM 0 HB3 GLN A 41 12.440 -0.220 3.161 1.00 1.00 H new ATOM 0 HG2 GLN A 41 13.219 -2.608 1.983 1.00 1.00 H new ATOM 0 HG3 GLN A 41 11.984 -2.059 0.867 1.00 1.00 H new ATOM 0 HE21 GLN A 41 12.587 -0.530 -0.693 1.00 1.00 H new ATOM 0 HE22 GLN A 41 14.101 0.379 -0.635 1.00 1.00 H new ATOM 620 N LYS A 42 12.884 -1.474 6.032 1.00 1.00 N ATOM 621 CA LYS A 42 13.918 -1.439 7.057 1.00 1.00 C ATOM 622 C LYS A 42 13.583 -2.381 8.209 1.00 1.00 C ATOM 623 O LYS A 42 14.068 -2.180 9.321 1.00 1.00 O ATOM 624 CB LYS A 42 14.069 0.014 7.525 1.00 1.00 C ATOM 625 CG LYS A 42 14.903 0.773 6.491 1.00 1.00 C ATOM 626 CD LYS A 42 16.297 1.093 7.037 1.00 1.00 C ATOM 627 CE LYS A 42 16.232 2.447 7.746 1.00 1.00 C ATOM 628 NZ LYS A 42 17.579 2.989 8.014 1.00 1.00 N ATOM 0 H LYS A 42 12.059 -0.936 6.296 1.00 1.00 H new ATOM 0 HA LYS A 42 14.867 -1.788 6.650 1.00 1.00 H new ATOM 0 HB2 LYS A 42 13.090 0.479 7.637 1.00 1.00 H new ATOM 0 HB3 LYS A 42 14.552 0.049 8.501 1.00 1.00 H new ATOM 0 HG2 LYS A 42 14.992 0.177 5.583 1.00 1.00 H new ATOM 0 HG3 LYS A 42 14.395 1.698 6.217 1.00 1.00 H new ATOM 0 HD2 LYS A 42 16.622 0.316 7.729 1.00 1.00 H new ATOM 0 HD3 LYS A 42 17.025 1.123 6.227 1.00 1.00 H new ATOM 0 HE2 LYS A 42 15.671 3.152 7.132 1.00 1.00 H new ATOM 0 HE3 LYS A 42 15.689 2.340 8.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 17.494 3.907 8.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 18.105 2.328 8.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 18.088 3.115 7.116 1.00 1.00 H new ATOM 642 N ALA A 43 12.772 -3.409 7.964 1.00 1.00 N ATOM 643 CA ALA A 43 12.428 -4.389 8.971 1.00 1.00 C ATOM 644 C ALA A 43 12.888 -5.764 8.486 1.00 1.00 C ATOM 645 O ALA A 43 13.261 -5.908 7.326 1.00 1.00 O ATOM 646 CB ALA A 43 10.923 -4.311 9.217 1.00 1.00 C ATOM 0 H ALA A 43 12.338 -3.579 7.057 1.00 1.00 H new ATOM 0 HA ALA A 43 12.926 -4.198 9.921 1.00 1.00 H new ATOM 0 HB1 ALA A 43 10.640 -5.042 9.974 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.662 -3.311 9.563 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.391 -4.524 8.290 1.00 1.00 H new ATOM 652 N THR A 44 12.879 -6.769 9.360 1.00 1.00 N ATOM 653 CA THR A 44 13.284 -8.129 9.019 1.00 1.00 C ATOM 654 C THR A 44 12.072 -9.060 9.146 1.00 1.00 C ATOM 655 O THR A 44 11.501 -9.158 10.228 1.00 1.00 O ATOM 656 CB THR A 44 14.470 -8.533 9.898 1.00 1.00 C ATOM 657 OG1 THR A 44 15.538 -7.649 9.625 1.00 1.00 O ATOM 658 CG2 THR A 44 14.951 -9.953 9.607 1.00 1.00 C ATOM 0 H THR A 44 12.588 -6.660 10.332 1.00 1.00 H new ATOM 0 HA THR A 44 13.624 -8.200 7.986 1.00 1.00 H new ATOM 0 HB THR A 44 14.149 -8.489 10.939 1.00 1.00 H new ATOM 0 HG1 THR A 44 16.310 -7.888 10.179 1.00 1.00 H new ATOM 0 HG21 THR A 44 15.793 -10.192 10.256 1.00 1.00 H new ATOM 0 HG22 THR A 44 14.140 -10.657 9.792 1.00 1.00 H new ATOM 0 HG23 THR A 44 15.264 -10.025 8.565 1.00 1.00 H new ATOM 666 N PRO A 45 11.629 -9.706 8.058 1.00 1.00 N ATOM 667 CA PRO A 45 10.421 -10.511 8.034 1.00 1.00 C ATOM 668 C PRO A 45 10.675 -11.895 8.642 1.00 1.00 C ATOM 669 O PRO A 45 11.577 -12.601 8.195 1.00 1.00 O ATOM 670 CB PRO A 45 10.058 -10.616 6.549 1.00 1.00 C ATOM 671 CG PRO A 45 11.406 -10.544 5.845 1.00 1.00 C ATOM 672 CD PRO A 45 12.187 -9.581 6.732 1.00 1.00 C ATOM 0 HA PRO A 45 9.616 -10.070 8.622 1.00 1.00 H new ATOM 0 HB2 PRO A 45 9.540 -11.549 6.328 1.00 1.00 H new ATOM 0 HB3 PRO A 45 9.400 -9.804 6.239 1.00 1.00 H new ATOM 0 HG2 PRO A 45 11.886 -11.521 5.785 1.00 1.00 H new ATOM 0 HG3 PRO A 45 11.312 -10.172 4.825 1.00 1.00 H new ATOM 0 HD2 PRO A 45 13.249 -9.827 6.732 1.00 1.00 H new ATOM 0 HD3 PRO A 45 12.097 -8.558 6.368 1.00 1.00 H new ATOM 680 N PRO A 46 9.840 -12.349 9.588 1.00 1.00 N ATOM 681 CA PRO A 46 10.030 -13.618 10.280 1.00 1.00 C ATOM 682 C PRO A 46 9.916 -14.813 9.330 1.00 1.00 C ATOM 683 O PRO A 46 10.579 -15.829 9.525 1.00 1.00 O ATOM 684 CB PRO A 46 8.957 -13.648 11.372 1.00 1.00 C ATOM 685 CG PRO A 46 7.866 -12.723 10.835 1.00 1.00 C ATOM 686 CD PRO A 46 8.662 -11.663 10.080 1.00 1.00 C ATOM 0 HA PRO A 46 11.032 -13.696 10.703 1.00 1.00 H new ATOM 0 HB2 PRO A 46 8.581 -14.658 11.536 1.00 1.00 H new ATOM 0 HB3 PRO A 46 9.347 -13.295 12.326 1.00 1.00 H new ATOM 0 HG2 PRO A 46 7.174 -13.252 10.180 1.00 1.00 H new ATOM 0 HG3 PRO A 46 7.273 -12.287 11.639 1.00 1.00 H new ATOM 0 HD2 PRO A 46 8.080 -11.244 9.260 1.00 1.00 H new ATOM 0 HD3 PRO A 46 8.934 -10.835 10.734 1.00 1.00 H new ATOM 694 N LYS A 47 9.133 -14.683 8.251 1.00 1.00 N ATOM 695 CA LYS A 47 9.000 -15.720 7.227 1.00 1.00 C ATOM 696 C LYS A 47 10.355 -16.102 6.635 1.00 1.00 C ATOM 697 O LYS A 47 10.534 -17.215 6.148 1.00 1.00 O ATOM 698 CB LYS A 47 8.078 -15.220 6.129 1.00 1.00 C ATOM 699 CG LYS A 47 7.861 -16.282 5.040 1.00 1.00 C ATOM 700 CD LYS A 47 7.466 -17.692 5.488 1.00 1.00 C ATOM 701 CE LYS A 47 6.773 -18.437 4.335 1.00 1.00 C ATOM 702 NZ LYS A 47 5.528 -17.770 3.912 1.00 1.00 N ATOM 0 H LYS A 47 8.573 -13.851 8.066 1.00 1.00 H new ATOM 0 HA LYS A 47 8.580 -16.612 7.692 1.00 1.00 H new ATOM 0 HB2 LYS A 47 7.117 -14.940 6.561 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.500 -14.321 5.681 1.00 1.00 H new ATOM 0 HG2 LYS A 47 7.088 -15.916 4.364 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.780 -16.360 4.460 1.00 1.00 H new ATOM 0 HD2 LYS A 47 8.351 -18.242 5.807 1.00 1.00 H new ATOM 0 HD3 LYS A 47 6.799 -17.635 6.348 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.454 -18.504 3.486 1.00 1.00 H new ATOM 0 HE3 LYS A 47 6.549 -19.457 4.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 4.992 -18.402 3.283 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 4.953 -17.545 4.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 5.760 -16.892 3.405 1.00 1.00 H new ATOM 716 N LEU A 48 11.303 -15.170 6.642 1.00 1.00 N ATOM 717 CA LEU A 48 12.618 -15.350 6.084 1.00 1.00 C ATOM 718 C LEU A 48 13.658 -14.953 7.129 1.00 1.00 C ATOM 719 O LEU A 48 14.723 -14.467 6.777 1.00 1.00 O ATOM 720 CB LEU A 48 12.739 -14.492 4.825 1.00 1.00 C ATOM 721 CG LEU A 48 11.916 -14.910 3.599 1.00 1.00 C ATOM 722 CD1 LEU A 48 12.174 -13.821 2.549 1.00 1.00 C ATOM 723 CD2 LEU A 48 12.269 -16.287 3.017 1.00 1.00 C ATOM 0 H LEU A 48 11.163 -14.246 7.050 1.00 1.00 H new ATOM 0 HA LEU A 48 12.786 -16.392 5.811 1.00 1.00 H new ATOM 0 HB2 LEU A 48 12.459 -13.471 5.086 1.00 1.00 H new ATOM 0 HB3 LEU A 48 13.789 -14.470 4.533 1.00 1.00 H new ATOM 0 HG LEU A 48 10.871 -15.006 3.895 1.00 1.00 H new ATOM 0 HD11 LEU A 48 11.617 -14.052 1.641 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.850 -12.856 2.938 1.00 1.00 H new ATOM 0 HD13 LEU A 48 13.239 -13.781 2.321 1.00 1.00 H new ATOM 0 HD21 LEU A 48 11.634 -16.491 2.155 1.00 1.00 H new ATOM 0 HD22 LEU A 48 13.314 -16.294 2.707 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.110 -17.054 3.775 1.00 1.00 H new ATOM 735 N GLU A 49 13.381 -15.118 8.422 1.00 1.00 N ATOM 736 CA GLU A 49 14.417 -14.798 9.397 1.00 1.00 C ATOM 737 C GLU A 49 15.479 -15.892 9.423 1.00 1.00 C ATOM 738 O GLU A 49 16.670 -15.603 9.405 1.00 1.00 O ATOM 739 CB GLU A 49 13.831 -14.597 10.794 1.00 1.00 C ATOM 740 CG GLU A 49 13.825 -13.105 11.146 1.00 1.00 C ATOM 741 CD GLU A 49 13.840 -12.889 12.656 1.00 1.00 C ATOM 742 OE1 GLU A 49 14.875 -13.234 13.267 1.00 1.00 O ATOM 743 OE2 GLU A 49 12.826 -12.374 13.175 1.00 1.00 O ATOM 0 H GLU A 49 12.496 -15.453 8.803 1.00 1.00 H new ATOM 0 HA GLU A 49 14.880 -13.860 9.091 1.00 1.00 H new ATOM 0 HB2 GLU A 49 12.816 -14.993 10.833 1.00 1.00 H new ATOM 0 HB3 GLU A 49 14.418 -15.150 11.527 1.00 1.00 H new ATOM 0 HG2 GLU A 49 14.693 -12.621 10.699 1.00 1.00 H new ATOM 0 HG3 GLU A 49 12.941 -12.632 10.718 1.00 1.00 H new ATOM 750 N ASP A 50 15.057 -17.158 9.387 1.00 1.00 N ATOM 751 CA ASP A 50 15.960 -18.315 9.391 1.00 1.00 C ATOM 752 C ASP A 50 16.634 -18.516 8.033 1.00 1.00 C ATOM 753 O ASP A 50 17.229 -19.551 7.741 1.00 1.00 O ATOM 754 CB ASP A 50 15.172 -19.568 9.766 1.00 1.00 C ATOM 755 CG ASP A 50 16.094 -20.759 10.034 1.00 1.00 C ATOM 756 OD1 ASP A 50 16.973 -20.602 10.911 1.00 1.00 O ATOM 757 OD2 ASP A 50 15.869 -21.819 9.406 1.00 1.00 O ATOM 0 H ASP A 50 14.070 -17.413 9.354 1.00 1.00 H new ATOM 0 HA ASP A 50 16.745 -18.129 10.124 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.570 -19.367 10.652 1.00 1.00 H new ATOM 0 HB3 ASP A 50 14.481 -19.817 8.961 1.00 1.00 H new ATOM 762 N LYS A 51 16.492 -17.553 7.130 1.00 1.00 N ATOM 763 CA LYS A 51 17.069 -17.691 5.819 1.00 1.00 C ATOM 764 C LYS A 51 18.578 -17.639 5.896 1.00 1.00 C ATOM 765 O LYS A 51 19.179 -17.277 6.905 1.00 1.00 O ATOM 766 CB LYS A 51 16.549 -16.556 4.950 1.00 1.00 C ATOM 767 CG LYS A 51 15.440 -17.068 4.042 1.00 1.00 C ATOM 768 CD LYS A 51 15.985 -17.203 2.621 1.00 1.00 C ATOM 769 CE LYS A 51 15.152 -18.188 1.809 1.00 1.00 C ATOM 770 NZ LYS A 51 15.793 -19.518 1.794 1.00 1.00 N ATOM 0 H LYS A 51 15.986 -16.681 7.288 1.00 1.00 H new ATOM 0 HA LYS A 51 16.789 -18.653 5.390 1.00 1.00 H new ATOM 0 HB2 LYS A 51 16.173 -15.748 5.578 1.00 1.00 H new ATOM 0 HB3 LYS A 51 17.361 -16.143 4.351 1.00 1.00 H new ATOM 0 HG2 LYS A 51 15.076 -18.031 4.399 1.00 1.00 H new ATOM 0 HG3 LYS A 51 14.594 -16.381 4.057 1.00 1.00 H new ATOM 0 HD2 LYS A 51 15.982 -16.229 2.132 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.021 -17.539 2.655 1.00 1.00 H new ATOM 0 HE2 LYS A 51 14.152 -18.265 2.235 1.00 1.00 H new ATOM 0 HE3 LYS A 51 15.037 -17.822 0.789 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 15.213 -20.177 1.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 16.738 -19.443 1.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 15.880 -19.872 2.768 1.00 1.00 H new ATOM 784 N SER A 52 19.192 -17.934 4.755 1.00 1.00 N ATOM 785 CA SER A 52 20.587 -17.624 4.573 1.00 1.00 C ATOM 786 C SER A 52 20.798 -16.145 4.901 1.00 1.00 C ATOM 787 O SER A 52 19.923 -15.321 4.650 1.00 1.00 O ATOM 788 CB SER A 52 21.022 -17.970 3.144 1.00 1.00 C ATOM 789 OG SER A 52 19.907 -18.177 2.297 1.00 1.00 O ATOM 0 H SER A 52 18.743 -18.382 3.956 1.00 1.00 H new ATOM 0 HA SER A 52 21.207 -18.220 5.243 1.00 1.00 H new ATOM 0 HB2 SER A 52 21.638 -17.164 2.745 1.00 1.00 H new ATOM 0 HB3 SER A 52 21.641 -18.867 3.158 1.00 1.00 H new ATOM 0 HG SER A 52 20.218 -18.410 1.397 1.00 1.00 H new ATOM 795 N PRO A 53 21.981 -15.796 5.396 1.00 1.00 N ATOM 796 CA PRO A 53 22.284 -14.457 5.866 1.00 1.00 C ATOM 797 C PRO A 53 22.151 -13.476 4.714 1.00 1.00 C ATOM 798 O PRO A 53 21.505 -12.436 4.800 1.00 1.00 O ATOM 799 CB PRO A 53 23.736 -14.544 6.353 1.00 1.00 C ATOM 800 CG PRO A 53 24.322 -15.779 5.656 1.00 1.00 C ATOM 801 CD PRO A 53 23.119 -16.683 5.435 1.00 1.00 C ATOM 0 HA PRO A 53 21.614 -14.113 6.654 1.00 1.00 H new ATOM 0 HB2 PRO A 53 24.293 -13.644 6.093 1.00 1.00 H new ATOM 0 HB3 PRO A 53 23.782 -14.645 7.437 1.00 1.00 H new ATOM 0 HG2 PRO A 53 24.801 -15.515 4.713 1.00 1.00 H new ATOM 0 HG3 PRO A 53 25.078 -16.264 6.273 1.00 1.00 H new ATOM 0 HD2 PRO A 53 23.213 -17.244 4.505 1.00 1.00 H new ATOM 0 HD3 PRO A 53 23.022 -17.413 6.239 1.00 1.00 H new ATOM 809 N ASP A 54 22.775 -13.865 3.612 1.00 1.00 N ATOM 810 CA ASP A 54 22.941 -13.077 2.417 1.00 1.00 C ATOM 811 C ASP A 54 22.128 -13.785 1.335 1.00 1.00 C ATOM 812 O ASP A 54 22.574 -13.879 0.193 1.00 1.00 O ATOM 813 CB ASP A 54 24.454 -12.985 2.121 1.00 1.00 C ATOM 814 CG ASP A 54 24.941 -11.572 1.766 1.00 1.00 C ATOM 815 OD1 ASP A 54 24.125 -10.722 1.327 1.00 1.00 O ATOM 816 OD2 ASP A 54 26.155 -11.347 1.960 1.00 1.00 O ATOM 0 H ASP A 54 23.199 -14.789 3.531 1.00 1.00 H new ATOM 0 HA ASP A 54 22.582 -12.051 2.493 1.00 1.00 H new ATOM 0 HB2 ASP A 54 25.005 -13.339 2.992 1.00 1.00 H new ATOM 0 HB3 ASP A 54 24.693 -13.657 1.297 1.00 1.00 H new ATOM 821 N SER A 55 20.970 -14.386 1.680 1.00 1.00 N ATOM 822 CA SER A 55 20.219 -15.042 0.616 1.00 1.00 C ATOM 823 C SER A 55 19.843 -13.969 -0.381 1.00 1.00 C ATOM 824 O SER A 55 19.174 -13.013 -0.004 1.00 1.00 O ATOM 825 CB SER A 55 18.912 -15.742 1.005 1.00 1.00 C ATOM 826 OG SER A 55 18.583 -15.604 2.357 1.00 1.00 O ATOM 0 H SER A 55 20.566 -14.427 2.616 1.00 1.00 H new ATOM 0 HA SER A 55 20.877 -15.831 0.252 1.00 1.00 H new ATOM 0 HB2 SER A 55 18.100 -15.339 0.399 1.00 1.00 H new ATOM 0 HB3 SER A 55 18.993 -16.802 0.766 1.00 1.00 H new ATOM 0 HG SER A 55 19.352 -15.858 2.908 1.00 1.00 H new ATOM 832 N PRO A 56 20.146 -14.174 -1.659 1.00 1.00 N ATOM 833 CA PRO A 56 19.950 -13.189 -2.710 1.00 1.00 C ATOM 834 C PRO A 56 18.477 -12.779 -2.895 1.00 1.00 C ATOM 835 O PRO A 56 18.189 -11.847 -3.631 1.00 1.00 O ATOM 836 CB PRO A 56 20.540 -13.862 -3.956 1.00 1.00 C ATOM 837 CG PRO A 56 20.418 -15.359 -3.662 1.00 1.00 C ATOM 838 CD PRO A 56 20.689 -15.414 -2.170 1.00 1.00 C ATOM 0 HA PRO A 56 20.437 -12.242 -2.477 1.00 1.00 H new ATOM 0 HB2 PRO A 56 19.991 -13.586 -4.856 1.00 1.00 H new ATOM 0 HB3 PRO A 56 21.578 -13.570 -4.114 1.00 1.00 H new ATOM 0 HG2 PRO A 56 19.429 -15.744 -3.911 1.00 1.00 H new ATOM 0 HG3 PRO A 56 21.140 -15.946 -4.229 1.00 1.00 H new ATOM 0 HD2 PRO A 56 20.208 -16.277 -1.710 1.00 1.00 H new ATOM 0 HD3 PRO A 56 21.756 -15.496 -1.963 1.00 1.00 H new ATOM 846 N GLU A 57 17.546 -13.460 -2.222 1.00 1.00 N ATOM 847 CA GLU A 57 16.098 -13.272 -2.242 1.00 1.00 C ATOM 848 C GLU A 57 15.595 -12.467 -1.078 1.00 1.00 C ATOM 849 O GLU A 57 14.592 -11.789 -1.172 1.00 1.00 O ATOM 850 CB GLU A 57 15.469 -14.624 -1.926 1.00 1.00 C ATOM 851 CG GLU A 57 15.153 -15.366 -3.203 1.00 1.00 C ATOM 852 CD GLU A 57 14.904 -16.848 -2.916 1.00 1.00 C ATOM 853 OE1 GLU A 57 15.298 -17.319 -1.819 1.00 1.00 O ATOM 854 OE2 GLU A 57 14.320 -17.497 -3.807 1.00 1.00 O ATOM 0 H GLU A 57 17.811 -14.221 -1.597 1.00 1.00 H new ATOM 0 HA GLU A 57 15.863 -12.810 -3.201 1.00 1.00 H new ATOM 0 HB2 GLU A 57 16.149 -15.215 -1.313 1.00 1.00 H new ATOM 0 HB3 GLU A 57 14.558 -14.482 -1.345 1.00 1.00 H new ATOM 0 HG2 GLU A 57 14.274 -14.929 -3.676 1.00 1.00 H new ATOM 0 HG3 GLU A 57 15.979 -15.260 -3.906 1.00 1.00 H new ATOM 861 N MET A 58 16.208 -12.721 0.063 1.00 1.00 N ATOM 862 CA MET A 58 15.902 -12.187 1.373 1.00 1.00 C ATOM 863 C MET A 58 16.403 -10.770 1.399 1.00 1.00 C ATOM 864 O MET A 58 15.782 -9.806 1.817 1.00 1.00 O ATOM 865 CB MET A 58 16.772 -12.988 2.329 1.00 1.00 C ATOM 866 CG MET A 58 15.991 -13.509 3.501 1.00 1.00 C ATOM 867 SD MET A 58 15.495 -12.223 4.661 1.00 1.00 S ATOM 868 CE MET A 58 17.162 -11.737 5.170 1.00 1.00 C ATOM 0 H MET A 58 17.001 -13.362 0.097 1.00 1.00 H new ATOM 0 HA MET A 58 14.841 -12.232 1.619 1.00 1.00 H new ATOM 0 HB2 MET A 58 17.223 -13.824 1.794 1.00 1.00 H new ATOM 0 HB3 MET A 58 17.588 -12.361 2.688 1.00 1.00 H new ATOM 0 HG2 MET A 58 15.101 -14.021 3.136 1.00 1.00 H new ATOM 0 HG3 MET A 58 16.592 -14.250 4.028 1.00 1.00 H new ATOM 0 HE1 MET A 58 17.135 -11.359 6.192 1.00 1.00 H new ATOM 0 HE2 MET A 58 17.824 -12.602 5.121 1.00 1.00 H new ATOM 0 HE3 MET A 58 17.533 -10.958 4.504 1.00 1.00 H new ATOM 878 N LYS A 59 17.585 -10.668 0.840 1.00 1.00 N ATOM 879 CA LYS A 59 18.253 -9.441 0.624 1.00 1.00 C ATOM 880 C LYS A 59 17.421 -8.551 -0.275 1.00 1.00 C ATOM 881 O LYS A 59 17.414 -7.329 -0.156 1.00 1.00 O ATOM 882 CB LYS A 59 19.528 -9.838 -0.084 1.00 1.00 C ATOM 883 CG LYS A 59 20.500 -8.843 0.445 1.00 1.00 C ATOM 884 CD LYS A 59 21.675 -8.803 -0.491 1.00 1.00 C ATOM 885 CE LYS A 59 22.252 -7.474 -0.062 1.00 1.00 C ATOM 886 NZ LYS A 59 23.710 -7.507 -0.144 1.00 1.00 N ATOM 0 H LYS A 59 18.114 -11.478 0.517 1.00 1.00 H new ATOM 0 HA LYS A 59 18.434 -8.890 1.547 1.00 1.00 H new ATOM 0 HB2 LYS A 59 19.823 -10.861 0.150 1.00 1.00 H new ATOM 0 HB3 LYS A 59 19.429 -9.775 -1.168 1.00 1.00 H new ATOM 0 HG2 LYS A 59 20.037 -7.859 0.518 1.00 1.00 H new ATOM 0 HG3 LYS A 59 20.821 -9.120 1.449 1.00 1.00 H new ATOM 0 HD2 LYS A 59 22.365 -9.633 -0.341 1.00 1.00 H new ATOM 0 HD3 LYS A 59 21.382 -8.819 -1.541 1.00 1.00 H new ATOM 0 HE2 LYS A 59 21.863 -6.678 -0.697 1.00 1.00 H new ATOM 0 HE3 LYS A 59 21.943 -7.247 0.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 24.095 -6.588 0.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 24.076 -8.254 0.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 23.998 -7.703 -1.124 1.00 1.00 H new ATOM 900 N ASP A 60 16.716 -9.220 -1.177 1.00 1.00 N ATOM 901 CA ASP A 60 15.881 -8.636 -2.179 1.00 1.00 C ATOM 902 C ASP A 60 14.440 -9.006 -1.864 1.00 1.00 C ATOM 903 O ASP A 60 13.625 -9.058 -2.772 1.00 1.00 O ATOM 904 CB ASP A 60 16.330 -9.147 -3.551 1.00 1.00 C ATOM 905 CG ASP A 60 16.326 -7.993 -4.539 1.00 1.00 C ATOM 906 OD1 ASP A 60 15.212 -7.563 -4.896 1.00 1.00 O ATOM 907 OD2 ASP A 60 17.430 -7.521 -4.884 1.00 1.00 O ATOM 0 H ASP A 60 16.722 -10.239 -1.219 1.00 1.00 H new ATOM 0 HA ASP A 60 15.958 -7.549 -2.193 1.00 1.00 H new ATOM 0 HB2 ASP A 60 17.328 -9.579 -3.483 1.00 1.00 H new ATOM 0 HB3 ASP A 60 15.663 -9.938 -3.894 1.00 1.00 H new ATOM 912 N PHE A 61 14.085 -9.317 -0.603 1.00 1.00 N ATOM 913 CA PHE A 61 12.669 -9.606 -0.315 1.00 1.00 C ATOM 914 C PHE A 61 11.890 -8.320 -0.543 1.00 1.00 C ATOM 915 O PHE A 61 10.736 -8.302 -0.972 1.00 1.00 O ATOM 916 CB PHE A 61 12.433 -10.193 1.090 1.00 1.00 C ATOM 917 CG PHE A 61 12.570 -9.258 2.287 1.00 1.00 C ATOM 918 CD1 PHE A 61 11.774 -8.104 2.427 1.00 1.00 C ATOM 919 CD2 PHE A 61 13.503 -9.554 3.295 1.00 1.00 C ATOM 920 CE1 PHE A 61 12.045 -7.192 3.456 1.00 1.00 C ATOM 921 CE2 PHE A 61 13.769 -8.645 4.329 1.00 1.00 C ATOM 922 CZ PHE A 61 13.048 -7.448 4.395 1.00 1.00 C ATOM 0 H PHE A 61 14.720 -9.373 0.193 1.00 1.00 H new ATOM 0 HA PHE A 61 12.319 -10.390 -0.987 1.00 1.00 H new ATOM 0 HB2 PHE A 61 11.429 -10.618 1.111 1.00 1.00 H new ATOM 0 HB3 PHE A 61 13.131 -11.018 1.229 1.00 1.00 H new ATOM 0 HD1 PHE A 61 10.958 -7.923 1.744 1.00 1.00 H new ATOM 0 HD2 PHE A 61 14.025 -10.499 3.273 1.00 1.00 H new ATOM 0 HE1 PHE A 61 11.471 -6.280 3.524 1.00 1.00 H new ATOM 0 HE2 PHE A 61 14.524 -8.867 5.068 1.00 1.00 H new ATOM 0 HZ PHE A 61 13.265 -6.725 5.168 1.00 1.00 H new ATOM 932 N ARG A 62 12.631 -7.234 -0.335 1.00 1.00 N ATOM 933 CA ARG A 62 12.513 -5.921 -0.935 1.00 1.00 C ATOM 934 C ARG A 62 11.824 -5.859 -2.302 1.00 1.00 C ATOM 935 O ARG A 62 11.259 -4.820 -2.606 1.00 1.00 O ATOM 936 CB ARG A 62 13.944 -5.437 -1.128 1.00 1.00 C ATOM 937 CG ARG A 62 14.014 -3.918 -1.086 1.00 1.00 C ATOM 938 CD ARG A 62 15.108 -3.548 -2.067 1.00 1.00 C ATOM 939 NE ARG A 62 15.527 -2.161 -1.902 1.00 1.00 N ATOM 940 CZ ARG A 62 16.458 -1.613 -2.681 1.00 1.00 C ATOM 941 NH1 ARG A 62 16.977 -2.322 -3.686 1.00 1.00 N ATOM 942 NH2 ARG A 62 16.871 -0.371 -2.439 1.00 1.00 N ATOM 0 H ARG A 62 13.406 -7.263 0.327 1.00 1.00 H new ATOM 0 HA ARG A 62 11.888 -5.321 -0.273 1.00 1.00 H new ATOM 0 HB2 ARG A 62 14.582 -5.856 -0.350 1.00 1.00 H new ATOM 0 HB3 ARG A 62 14.328 -5.796 -2.083 1.00 1.00 H new ATOM 0 HG2 ARG A 62 13.061 -3.471 -1.370 1.00 1.00 H new ATOM 0 HG3 ARG A 62 14.247 -3.561 -0.083 1.00 1.00 H new ATOM 0 HD2 ARG A 62 15.964 -4.207 -1.924 1.00 1.00 H new ATOM 0 HD3 ARG A 62 14.752 -3.703 -3.086 1.00 1.00 H new ATOM 0 HE ARG A 62 15.096 -1.596 -1.171 1.00 1.00 H new ATOM 0 HH11 ARG A 62 16.660 -3.277 -3.853 1.00 1.00 H new ATOM 0 HH12 ARG A 62 17.690 -1.909 -4.287 1.00 1.00 H new ATOM 0 HH21 ARG A 62 16.475 0.156 -1.660 1.00 1.00 H new ATOM 0 HH22 ARG A 62 17.584 0.054 -3.032 1.00 1.00 H new ATOM 956 N HIS A 63 11.840 -6.915 -3.116 1.00 1.00 N ATOM 957 CA HIS A 63 11.221 -6.981 -4.429 1.00 1.00 C ATOM 958 C HIS A 63 9.745 -6.647 -4.303 1.00 1.00 C ATOM 959 O HIS A 63 9.175 -6.025 -5.187 1.00 1.00 O ATOM 960 CB HIS A 63 11.357 -8.398 -5.023 1.00 1.00 C ATOM 961 CG HIS A 63 12.198 -8.466 -6.267 1.00 1.00 C ATOM 962 ND1 HIS A 63 13.460 -8.996 -6.357 1.00 1.00 N ATOM 963 CD2 HIS A 63 11.847 -8.010 -7.507 1.00 1.00 C ATOM 964 CE1 HIS A 63 13.863 -8.868 -7.632 1.00 1.00 C ATOM 965 NE2 HIS A 63 12.907 -8.285 -8.376 1.00 1.00 N ATOM 0 H HIS A 63 12.308 -7.785 -2.861 1.00 1.00 H new ATOM 0 HA HIS A 63 11.720 -6.268 -5.085 1.00 1.00 H new ATOM 0 HB2 HIS A 63 11.789 -9.056 -4.269 1.00 1.00 H new ATOM 0 HB3 HIS A 63 10.362 -8.782 -5.249 1.00 1.00 H new ATOM 0 HD1 HIS A 63 13.995 -9.412 -5.595 1.00 1.00 H new ATOM 0 HD2 HIS A 63 10.918 -7.525 -7.768 1.00 1.00 H new ATOM 0 HE1 HIS A 63 14.823 -9.189 -8.008 1.00 1.00 H new ATOM 973 N GLY A 64 9.117 -7.062 -3.202 1.00 1.00 N ATOM 974 CA GLY A 64 7.688 -6.879 -3.010 1.00 1.00 C ATOM 975 C GLY A 64 7.375 -5.473 -2.614 1.00 1.00 C ATOM 976 O GLY A 64 6.390 -4.919 -3.058 1.00 1.00 O ATOM 0 H GLY A 64 9.586 -7.531 -2.427 1.00 1.00 H new ATOM 0 HA2 GLY A 64 7.159 -7.127 -3.930 1.00 1.00 H new ATOM 0 HA3 GLY A 64 7.330 -7.565 -2.242 1.00 1.00 H new ATOM 980 N PHE A 65 8.210 -4.903 -1.765 1.00 1.00 N ATOM 981 CA PHE A 65 8.169 -3.488 -1.481 1.00 1.00 C ATOM 982 C PHE A 65 8.446 -2.681 -2.741 1.00 1.00 C ATOM 983 O PHE A 65 7.853 -1.628 -2.888 1.00 1.00 O ATOM 984 CB PHE A 65 9.150 -3.129 -0.358 1.00 1.00 C ATOM 985 CG PHE A 65 8.712 -3.634 1.002 1.00 1.00 C ATOM 986 CD1 PHE A 65 7.417 -3.331 1.467 1.00 1.00 C ATOM 987 CD2 PHE A 65 9.585 -4.382 1.816 1.00 1.00 C ATOM 988 CE1 PHE A 65 6.971 -3.817 2.705 1.00 1.00 C ATOM 989 CE2 PHE A 65 9.141 -4.831 3.073 1.00 1.00 C ATOM 990 CZ PHE A 65 7.833 -4.585 3.498 1.00 1.00 C ATOM 0 H PHE A 65 8.933 -5.411 -1.256 1.00 1.00 H new ATOM 0 HA PHE A 65 7.167 -3.234 -1.136 1.00 1.00 H new ATOM 0 HB2 PHE A 65 10.130 -3.544 -0.594 1.00 1.00 H new ATOM 0 HB3 PHE A 65 9.264 -2.046 -0.317 1.00 1.00 H new ATOM 0 HD1 PHE A 65 6.762 -2.719 0.865 1.00 1.00 H new ATOM 0 HD2 PHE A 65 10.586 -4.609 1.478 1.00 1.00 H new ATOM 0 HE1 PHE A 65 5.969 -3.600 3.045 1.00 1.00 H new ATOM 0 HE2 PHE A 65 9.819 -5.372 3.717 1.00 1.00 H new ATOM 0 HZ PHE A 65 7.486 -4.987 4.438 1.00 1.00 H new ATOM 1000 N ASP A 66 9.273 -3.151 -3.670 1.00 1.00 N ATOM 1001 CA ASP A 66 9.572 -2.413 -4.892 1.00 1.00 C ATOM 1002 C ASP A 66 8.349 -2.460 -5.814 1.00 1.00 C ATOM 1003 O ASP A 66 7.907 -1.452 -6.358 1.00 1.00 O ATOM 1004 CB ASP A 66 10.823 -3.012 -5.557 1.00 1.00 C ATOM 1005 CG ASP A 66 11.673 -1.929 -6.217 1.00 1.00 C ATOM 1006 OD1 ASP A 66 11.192 -1.344 -7.209 1.00 1.00 O ATOM 1007 OD2 ASP A 66 12.790 -1.690 -5.700 1.00 1.00 O ATOM 0 H ASP A 66 9.752 -4.049 -3.598 1.00 1.00 H new ATOM 0 HA ASP A 66 9.786 -1.367 -4.670 1.00 1.00 H new ATOM 0 HB2 ASP A 66 11.417 -3.539 -4.810 1.00 1.00 H new ATOM 0 HB3 ASP A 66 10.524 -3.748 -6.304 1.00 1.00 H new ATOM 1012 N ILE A 67 7.731 -3.637 -5.918 1.00 1.00 N ATOM 1013 CA ILE A 67 6.580 -3.894 -6.777 1.00 1.00 C ATOM 1014 C ILE A 67 5.342 -3.185 -6.227 1.00 1.00 C ATOM 1015 O ILE A 67 4.564 -2.579 -6.963 1.00 1.00 O ATOM 1016 CB ILE A 67 6.418 -5.430 -6.870 1.00 1.00 C ATOM 1017 CG1 ILE A 67 7.284 -5.919 -8.045 1.00 1.00 C ATOM 1018 CG2 ILE A 67 4.969 -5.911 -7.013 1.00 1.00 C ATOM 1019 CD1 ILE A 67 7.691 -7.393 -7.934 1.00 1.00 C ATOM 0 H ILE A 67 8.027 -4.459 -5.392 1.00 1.00 H new ATOM 0 HA ILE A 67 6.722 -3.495 -7.781 1.00 1.00 H new ATOM 0 HB ILE A 67 6.748 -5.859 -5.924 1.00 1.00 H new ATOM 0 HG12 ILE A 67 6.736 -5.771 -8.976 1.00 1.00 H new ATOM 0 HG13 ILE A 67 8.183 -5.306 -8.103 1.00 1.00 H new ATOM 0 HG21 ILE A 67 4.951 -6.999 -7.071 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.390 -5.584 -6.149 1.00 1.00 H new ATOM 0 HG23 ILE A 67 4.534 -5.492 -7.921 1.00 1.00 H new ATOM 0 HD11 ILE A 67 8.299 -7.668 -8.796 1.00 1.00 H new ATOM 0 HD12 ILE A 67 8.266 -7.544 -7.021 1.00 1.00 H new ATOM 0 HD13 ILE A 67 6.797 -8.016 -7.907 1.00 1.00 H new ATOM 1031 N LEU A 68 5.160 -3.270 -4.915 1.00 1.00 N ATOM 1032 CA LEU A 68 4.022 -2.745 -4.193 1.00 1.00 C ATOM 1033 C LEU A 68 4.125 -1.239 -4.188 1.00 1.00 C ATOM 1034 O LEU A 68 3.177 -0.567 -4.569 1.00 1.00 O ATOM 1035 CB LEU A 68 4.021 -3.262 -2.749 1.00 1.00 C ATOM 1036 CG LEU A 68 2.835 -2.729 -1.941 1.00 1.00 C ATOM 1037 CD1 LEU A 68 1.516 -3.356 -2.390 1.00 1.00 C ATOM 1038 CD2 LEU A 68 3.033 -3.116 -0.485 1.00 1.00 C ATOM 0 H LEU A 68 5.836 -3.729 -4.304 1.00 1.00 H new ATOM 0 HA LEU A 68 3.099 -3.067 -4.675 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.993 -4.352 -2.756 1.00 1.00 H new ATOM 0 HB3 LEU A 68 4.951 -2.970 -2.261 1.00 1.00 H new ATOM 0 HG LEU A 68 2.791 -1.650 -2.086 1.00 1.00 H new ATOM 0 HD11 LEU A 68 0.699 -2.952 -1.792 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.344 -3.127 -3.442 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.563 -4.437 -2.257 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.197 -2.744 0.107 1.00 1.00 H new ATOM 0 HD22 LEU A 68 3.083 -4.202 -0.401 1.00 1.00 H new ATOM 0 HD23 LEU A 68 3.961 -2.680 -0.116 1.00 1.00 H new ATOM 1050 N VAL A 69 5.268 -0.707 -3.751 1.00 1.00 N ATOM 1051 CA VAL A 69 5.445 0.737 -3.705 1.00 1.00 C ATOM 1052 C VAL A 69 5.355 1.312 -5.118 1.00 1.00 C ATOM 1053 O VAL A 69 4.815 2.399 -5.298 1.00 1.00 O ATOM 1054 CB VAL A 69 6.731 1.128 -2.951 1.00 1.00 C ATOM 1055 CG1 VAL A 69 7.980 1.171 -3.841 1.00 1.00 C ATOM 1056 CG2 VAL A 69 6.560 2.490 -2.276 1.00 1.00 C ATOM 0 H VAL A 69 6.071 -1.248 -3.430 1.00 1.00 H new ATOM 0 HA VAL A 69 4.636 1.185 -3.127 1.00 1.00 H new ATOM 0 HB VAL A 69 6.887 0.344 -2.210 1.00 1.00 H new ATOM 0 HG11 VAL A 69 8.845 1.453 -3.241 1.00 1.00 H new ATOM 0 HG12 VAL A 69 8.148 0.187 -4.280 1.00 1.00 H new ATOM 0 HG13 VAL A 69 7.835 1.903 -4.636 1.00 1.00 H new ATOM 0 HG21 VAL A 69 7.477 2.752 -1.748 1.00 1.00 H new ATOM 0 HG22 VAL A 69 6.348 3.246 -3.032 1.00 1.00 H new ATOM 0 HG23 VAL A 69 5.733 2.444 -1.567 1.00 1.00 H new ATOM 1066 N GLY A 70 5.785 0.556 -6.133 1.00 1.00 N ATOM 1067 CA GLY A 70 5.614 0.944 -7.521 1.00 1.00 C ATOM 1068 C GLY A 70 4.133 1.125 -7.839 1.00 1.00 C ATOM 1069 O GLY A 70 3.716 2.171 -8.331 1.00 1.00 O ATOM 0 H GLY A 70 6.259 -0.338 -6.008 1.00 1.00 H new ATOM 0 HA2 GLY A 70 6.151 1.872 -7.716 1.00 1.00 H new ATOM 0 HA3 GLY A 70 6.043 0.184 -8.174 1.00 1.00 H new ATOM 1073 N GLN A 71 3.315 0.122 -7.516 1.00 1.00 N ATOM 1074 CA GLN A 71 1.884 0.200 -7.766 1.00 1.00 C ATOM 1075 C GLN A 71 1.209 1.235 -6.864 1.00 1.00 C ATOM 1076 O GLN A 71 0.164 1.750 -7.238 1.00 1.00 O ATOM 1077 CB GLN A 71 1.241 -1.174 -7.554 1.00 1.00 C ATOM 1078 CG GLN A 71 1.689 -2.201 -8.609 1.00 1.00 C ATOM 1079 CD GLN A 71 0.598 -2.589 -9.610 1.00 1.00 C ATOM 1080 OE1 GLN A 71 -0.595 -2.497 -9.344 1.00 1.00 O ATOM 1081 NE2 GLN A 71 0.989 -3.079 -10.779 1.00 1.00 N ATOM 0 H GLN A 71 3.622 -0.749 -7.083 1.00 1.00 H new ATOM 0 HA GLN A 71 1.743 0.515 -8.800 1.00 1.00 H new ATOM 0 HB2 GLN A 71 1.497 -1.542 -6.561 1.00 1.00 H new ATOM 0 HB3 GLN A 71 0.156 -1.073 -7.587 1.00 1.00 H new ATOM 0 HG2 GLN A 71 2.540 -1.796 -9.156 1.00 1.00 H new ATOM 0 HG3 GLN A 71 2.036 -3.100 -8.100 1.00 1.00 H new ATOM 0 HE21 GLN A 71 1.983 -3.153 -10.994 1.00 1.00 H new ATOM 0 HE22 GLN A 71 0.295 -3.382 -11.463 1.00 1.00 H new ATOM 1090 N ILE A 72 1.778 1.574 -5.704 1.00 1.00 N ATOM 1091 CA ILE A 72 1.249 2.632 -4.851 1.00 1.00 C ATOM 1092 C ILE A 72 1.483 3.970 -5.533 1.00 1.00 C ATOM 1093 O ILE A 72 0.643 4.856 -5.421 1.00 1.00 O ATOM 1094 CB ILE A 72 1.910 2.593 -3.456 1.00 1.00 C ATOM 1095 CG1 ILE A 72 1.291 1.439 -2.648 1.00 1.00 C ATOM 1096 CG2 ILE A 72 1.764 3.916 -2.680 1.00 1.00 C ATOM 1097 CD1 ILE A 72 2.051 1.138 -1.351 1.00 1.00 C ATOM 0 H ILE A 72 2.615 1.123 -5.334 1.00 1.00 H new ATOM 0 HA ILE A 72 0.179 2.485 -4.704 1.00 1.00 H new ATOM 0 HB ILE A 72 2.979 2.438 -3.601 1.00 1.00 H new ATOM 0 HG12 ILE A 72 0.257 1.686 -2.407 1.00 1.00 H new ATOM 0 HG13 ILE A 72 1.269 0.541 -3.266 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.249 3.823 -1.708 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.232 4.722 -3.244 1.00 1.00 H new ATOM 0 HG23 ILE A 72 0.707 4.139 -2.538 1.00 1.00 H new ATOM 0 HD11 ILE A 72 1.565 0.315 -0.827 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.079 0.861 -1.587 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.051 2.023 -0.715 1.00 1.00 H new ATOM 1109 N ASP A 73 2.610 4.133 -6.225 1.00 1.00 N ATOM 1110 CA ASP A 73 2.918 5.388 -6.887 1.00 1.00 C ATOM 1111 C ASP A 73 1.948 5.568 -8.046 1.00 1.00 C ATOM 1112 O ASP A 73 1.364 6.635 -8.216 1.00 1.00 O ATOM 1113 CB ASP A 73 4.375 5.409 -7.361 1.00 1.00 C ATOM 1114 CG ASP A 73 4.899 6.844 -7.348 1.00 1.00 C ATOM 1115 OD1 ASP A 73 5.207 7.322 -6.231 1.00 1.00 O ATOM 1116 OD2 ASP A 73 4.971 7.449 -8.440 1.00 1.00 O ATOM 0 H ASP A 73 3.320 3.410 -6.338 1.00 1.00 H new ATOM 0 HA ASP A 73 2.803 6.218 -6.190 1.00 1.00 H new ATOM 0 HB2 ASP A 73 4.988 4.782 -6.713 1.00 1.00 H new ATOM 0 HB3 ASP A 73 4.447 4.994 -8.367 1.00 1.00 H new ATOM 1121 N ASP A 74 1.695 4.487 -8.788 1.00 1.00 N ATOM 1122 CA ASP A 74 0.761 4.507 -9.908 1.00 1.00 C ATOM 1123 C ASP A 74 -0.651 4.817 -9.405 1.00 1.00 C ATOM 1124 O ASP A 74 -1.343 5.678 -9.944 1.00 1.00 O ATOM 1125 CB ASP A 74 0.806 3.160 -10.653 1.00 1.00 C ATOM 1126 CG ASP A 74 0.660 3.304 -12.171 1.00 1.00 C ATOM 1127 OD1 ASP A 74 0.705 4.452 -12.670 1.00 1.00 O ATOM 1128 OD2 ASP A 74 0.545 2.244 -12.824 1.00 1.00 O ATOM 0 H ASP A 74 2.131 3.579 -8.628 1.00 1.00 H new ATOM 0 HA ASP A 74 1.050 5.291 -10.608 1.00 1.00 H new ATOM 0 HB2 ASP A 74 1.749 2.661 -10.431 1.00 1.00 H new ATOM 0 HB3 ASP A 74 0.009 2.518 -10.277 1.00 1.00 H new ATOM 1133 N ALA A 75 -1.066 4.177 -8.307 1.00 1.00 N ATOM 1134 CA ALA A 75 -2.368 4.433 -7.703 1.00 1.00 C ATOM 1135 C ALA A 75 -2.458 5.880 -7.231 1.00 1.00 C ATOM 1136 O ALA A 75 -3.491 6.537 -7.373 1.00 1.00 O ATOM 1137 CB ALA A 75 -2.658 3.462 -6.545 1.00 1.00 C ATOM 0 H ALA A 75 -0.511 3.474 -7.819 1.00 1.00 H new ATOM 0 HA ALA A 75 -3.128 4.265 -8.466 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -3.637 3.684 -6.120 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -2.648 2.438 -6.918 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -1.895 3.575 -5.775 1.00 1.00 H new ATOM 1143 N LEU A 76 -1.360 6.409 -6.698 1.00 1.00 N ATOM 1144 CA LEU A 76 -1.332 7.798 -6.281 1.00 1.00 C ATOM 1145 C LEU A 76 -1.448 8.703 -7.487 1.00 1.00 C ATOM 1146 O LEU A 76 -2.009 9.785 -7.384 1.00 1.00 O ATOM 1147 CB LEU A 76 -0.039 8.127 -5.531 1.00 1.00 C ATOM 1148 CG LEU A 76 -0.236 8.046 -4.019 1.00 1.00 C ATOM 1149 CD1 LEU A 76 1.121 8.232 -3.359 1.00 1.00 C ATOM 1150 CD2 LEU A 76 -1.149 9.169 -3.519 1.00 1.00 C ATOM 0 H LEU A 76 -0.489 5.899 -6.548 1.00 1.00 H new ATOM 0 HA LEU A 76 -2.176 7.961 -5.610 1.00 1.00 H new ATOM 0 HB2 LEU A 76 0.746 7.434 -5.835 1.00 1.00 H new ATOM 0 HB3 LEU A 76 0.296 9.128 -5.803 1.00 1.00 H new ATOM 0 HG LEU A 76 -0.686 7.084 -3.776 1.00 1.00 H new ATOM 0 HD11 LEU A 76 1.009 8.179 -2.276 1.00 1.00 H new ATOM 0 HD12 LEU A 76 1.799 7.446 -3.693 1.00 1.00 H new ATOM 0 HD13 LEU A 76 1.529 9.205 -3.634 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -1.271 9.085 -2.439 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -0.704 10.134 -3.760 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -2.123 9.088 -4.001 1.00 1.00 H new ATOM 1162 N LYS A 77 -0.960 8.265 -8.639 1.00 1.00 N ATOM 1163 CA LYS A 77 -1.013 9.043 -9.857 1.00 1.00 C ATOM 1164 C LYS A 77 -2.436 9.175 -10.388 1.00 1.00 C ATOM 1165 O LYS A 77 -2.694 10.049 -11.206 1.00 1.00 O ATOM 1166 CB LYS A 77 -0.122 8.353 -10.888 1.00 1.00 C ATOM 1167 CG LYS A 77 0.726 9.390 -11.605 1.00 1.00 C ATOM 1168 CD LYS A 77 1.603 8.642 -12.601 1.00 1.00 C ATOM 1169 CE LYS A 77 2.246 9.659 -13.534 1.00 1.00 C ATOM 1170 NZ LYS A 77 2.751 8.994 -14.750 1.00 1.00 N ATOM 0 H LYS A 77 -0.515 7.354 -8.750 1.00 1.00 H new ATOM 0 HA LYS A 77 -0.662 10.055 -9.654 1.00 1.00 H new ATOM 0 HB2 LYS A 77 0.519 7.621 -10.397 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -0.735 7.809 -11.607 1.00 1.00 H new ATOM 0 HG2 LYS A 77 0.095 10.116 -12.117 1.00 1.00 H new ATOM 0 HG3 LYS A 77 1.338 9.945 -10.894 1.00 1.00 H new ATOM 0 HD2 LYS A 77 2.369 8.070 -12.077 1.00 1.00 H new ATOM 0 HD3 LYS A 77 1.007 7.929 -13.170 1.00 1.00 H new ATOM 0 HE2 LYS A 77 1.518 10.424 -13.806 1.00 1.00 H new ATOM 0 HE3 LYS A 77 3.064 10.165 -13.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 3.187 9.701 -15.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 3.460 8.281 -14.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 1.962 8.531 -15.246 1.00 1.00 H new ATOM 1184 N LEU A 78 -3.362 8.336 -9.926 1.00 1.00 N ATOM 1185 CA LEU A 78 -4.743 8.341 -10.349 1.00 1.00 C ATOM 1186 C LEU A 78 -5.428 9.418 -9.536 1.00 1.00 C ATOM 1187 O LEU A 78 -5.858 10.426 -10.081 1.00 1.00 O ATOM 1188 CB LEU A 78 -5.372 6.953 -10.128 1.00 1.00 C ATOM 1189 CG LEU A 78 -4.756 5.880 -11.041 1.00 1.00 C ATOM 1190 CD1 LEU A 78 -5.166 4.485 -10.576 1.00 1.00 C ATOM 1191 CD2 LEU A 78 -5.220 6.051 -12.488 1.00 1.00 C ATOM 0 H LEU A 78 -3.157 7.619 -9.230 1.00 1.00 H new ATOM 0 HA LEU A 78 -4.847 8.552 -11.413 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.241 6.659 -9.087 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -6.445 7.010 -10.311 1.00 1.00 H new ATOM 0 HG LEU A 78 -3.673 5.996 -10.988 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -4.722 3.737 -11.233 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.818 4.325 -9.556 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -6.252 4.396 -10.607 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -4.768 5.278 -13.109 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.306 5.965 -12.535 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -4.918 7.033 -12.853 1.00 1.00 H new ATOM 1203 N ALA A 79 -5.492 9.254 -8.217 1.00 1.00 N ATOM 1204 CA ALA A 79 -6.140 10.244 -7.369 1.00 1.00 C ATOM 1205 C ALA A 79 -5.471 11.609 -7.456 1.00 1.00 C ATOM 1206 O ALA A 79 -6.155 12.623 -7.399 1.00 1.00 O ATOM 1207 CB ALA A 79 -6.115 9.769 -5.921 1.00 1.00 C ATOM 0 H ALA A 79 -5.106 8.452 -7.718 1.00 1.00 H new ATOM 0 HA ALA A 79 -7.165 10.352 -7.722 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -6.600 10.511 -5.286 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -6.645 8.820 -5.840 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -5.082 9.636 -5.599 1.00 1.00 H new ATOM 1213 N ASN A 80 -4.150 11.659 -7.600 1.00 1.00 N ATOM 1214 CA ASN A 80 -3.455 12.935 -7.757 1.00 1.00 C ATOM 1215 C ASN A 80 -3.902 13.636 -9.032 1.00 1.00 C ATOM 1216 O ASN A 80 -3.936 14.861 -9.081 1.00 1.00 O ATOM 1217 CB ASN A 80 -1.936 12.733 -7.755 1.00 1.00 C ATOM 1218 CG ASN A 80 -1.205 14.064 -7.673 1.00 1.00 C ATOM 1219 OD1 ASN A 80 -1.639 14.966 -6.964 1.00 1.00 O ATOM 1220 ND2 ASN A 80 -0.058 14.186 -8.328 1.00 1.00 N ATOM 0 H ASN A 80 -3.543 10.839 -7.611 1.00 1.00 H new ATOM 0 HA ASN A 80 -3.713 13.569 -6.909 1.00 1.00 H new ATOM 0 HB2 ASN A 80 -1.651 12.106 -6.910 1.00 1.00 H new ATOM 0 HB3 ASN A 80 -1.635 12.205 -8.660 1.00 1.00 H new ATOM 0 HD21 ASN A 80 0.486 15.045 -8.249 1.00 1.00 H new ATOM 0 HD22 ASN A 80 0.280 13.420 -8.911 1.00 1.00 H new ATOM 1227 N GLU A 81 -4.295 12.866 -10.047 1.00 1.00 N ATOM 1228 CA GLU A 81 -4.903 13.466 -11.234 1.00 1.00 C ATOM 1229 C GLU A 81 -6.397 13.716 -11.023 1.00 1.00 C ATOM 1230 O GLU A 81 -6.998 14.529 -11.720 1.00 1.00 O ATOM 1231 CB GLU A 81 -4.705 12.564 -12.462 1.00 1.00 C ATOM 1232 CG GLU A 81 -3.652 13.115 -13.433 1.00 1.00 C ATOM 1233 CD GLU A 81 -4.095 12.868 -14.877 1.00 1.00 C ATOM 1234 OE1 GLU A 81 -4.015 11.699 -15.318 1.00 1.00 O ATOM 1235 OE2 GLU A 81 -4.555 13.845 -15.508 1.00 1.00 O ATOM 0 H GLU A 81 -4.207 11.850 -10.073 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.408 14.422 -11.406 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -4.406 11.569 -12.133 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -5.655 12.455 -12.985 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.512 14.183 -13.264 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -2.690 12.635 -13.251 1.00 1.00 H new ATOM 1242 N GLY A 82 -7.008 13.022 -10.064 1.00 1.00 N ATOM 1243 CA GLY A 82 -8.413 13.178 -9.716 1.00 1.00 C ATOM 1244 C GLY A 82 -9.208 11.897 -9.937 1.00 1.00 C ATOM 1245 O GLY A 82 -10.370 11.815 -9.547 1.00 1.00 O ATOM 0 H GLY A 82 -6.528 12.323 -9.498 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -8.495 13.479 -8.672 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -8.846 13.980 -10.314 1.00 1.00 H new ATOM 1249 N LYS A 83 -8.586 10.854 -10.491 1.00 1.00 N ATOM 1250 CA LYS A 83 -9.153 9.516 -10.631 1.00 1.00 C ATOM 1251 C LYS A 83 -9.154 8.758 -9.303 1.00 1.00 C ATOM 1252 O LYS A 83 -8.827 7.576 -9.269 1.00 1.00 O ATOM 1253 CB LYS A 83 -8.368 8.752 -11.702 1.00 1.00 C ATOM 1254 CG LYS A 83 -8.656 9.310 -13.093 1.00 1.00 C ATOM 1255 CD LYS A 83 -7.563 8.867 -14.069 1.00 1.00 C ATOM 1256 CE LYS A 83 -7.678 9.704 -15.344 1.00 1.00 C ATOM 1257 NZ LYS A 83 -8.613 9.104 -16.318 1.00 1.00 N ATOM 0 H LYS A 83 -7.640 10.923 -10.867 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.195 9.606 -10.938 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -7.300 8.820 -11.493 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -8.633 7.695 -11.668 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -9.629 8.961 -13.440 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -8.703 10.398 -13.055 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -6.579 8.997 -13.619 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -7.670 7.807 -14.301 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -8.016 10.709 -15.089 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -6.694 9.805 -15.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -8.661 9.703 -17.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -8.278 8.155 -16.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -9.559 9.031 -15.892 1.00 1.00 H new ATOM 1271 N VAL A 84 -9.560 9.406 -8.212 1.00 1.00 N ATOM 1272 CA VAL A 84 -9.827 8.792 -6.920 1.00 1.00 C ATOM 1273 C VAL A 84 -10.508 7.419 -7.047 1.00 1.00 C ATOM 1274 O VAL A 84 -10.111 6.469 -6.377 1.00 1.00 O ATOM 1275 CB VAL A 84 -10.574 9.802 -6.043 1.00 1.00 C ATOM 1276 CG1 VAL A 84 -11.999 10.047 -6.505 1.00 1.00 C ATOM 1277 CG2 VAL A 84 -10.594 9.336 -4.597 1.00 1.00 C ATOM 0 H VAL A 84 -9.717 10.414 -8.208 1.00 1.00 H new ATOM 0 HA VAL A 84 -8.888 8.555 -6.420 1.00 1.00 H new ATOM 0 HB VAL A 84 -10.031 10.743 -6.131 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -12.476 10.771 -5.845 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -11.990 10.436 -7.523 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -12.556 9.110 -6.479 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -11.128 10.065 -3.987 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -11.096 8.371 -4.533 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -9.572 9.238 -4.232 1.00 1.00 H new ATOM 1287 N LYS A 85 -11.471 7.282 -7.966 1.00 1.00 N ATOM 1288 CA LYS A 85 -12.097 5.999 -8.266 1.00 1.00 C ATOM 1289 C LYS A 85 -11.090 4.954 -8.683 1.00 1.00 C ATOM 1290 O LYS A 85 -11.049 3.882 -8.099 1.00 1.00 O ATOM 1291 CB LYS A 85 -13.078 6.126 -9.428 1.00 1.00 C ATOM 1292 CG LYS A 85 -14.466 6.520 -8.948 1.00 1.00 C ATOM 1293 CD LYS A 85 -14.864 7.906 -9.441 1.00 1.00 C ATOM 1294 CE LYS A 85 -16.388 7.878 -9.433 1.00 1.00 C ATOM 1295 NZ LYS A 85 -16.972 9.188 -9.770 1.00 1.00 N ATOM 0 H LYS A 85 -11.834 8.058 -8.519 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.598 5.700 -7.346 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.712 6.871 -10.134 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.133 5.178 -9.964 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -15.193 5.787 -9.298 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.493 6.500 -7.859 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.476 8.688 -8.789 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.474 8.101 -10.440 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.739 7.132 -10.145 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.739 7.569 -8.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -18.010 9.120 -9.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -16.659 9.896 -9.076 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.660 9.473 -10.720 1.00 1.00 H new ATOM 1309 N GLU A 86 -10.339 5.225 -9.745 1.00 1.00 N ATOM 1310 CA GLU A 86 -9.452 4.225 -10.311 1.00 1.00 C ATOM 1311 C GLU A 86 -8.386 3.872 -9.275 1.00 1.00 C ATOM 1312 O GLU A 86 -7.882 2.759 -9.271 1.00 1.00 O ATOM 1313 CB GLU A 86 -8.778 4.760 -11.577 1.00 1.00 C ATOM 1314 CG GLU A 86 -9.730 5.221 -12.695 1.00 1.00 C ATOM 1315 CD GLU A 86 -10.210 4.106 -13.627 1.00 1.00 C ATOM 1316 OE1 GLU A 86 -9.459 3.124 -13.805 1.00 1.00 O ATOM 1317 OE2 GLU A 86 -11.313 4.288 -14.187 1.00 1.00 O ATOM 0 H GLU A 86 -10.329 6.124 -10.226 1.00 1.00 H new ATOM 0 HA GLU A 86 -10.030 3.339 -10.575 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -8.139 5.599 -11.300 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -8.127 3.982 -11.977 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -10.600 5.695 -12.240 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -9.227 5.982 -13.291 1.00 1.00 H new ATOM 1324 N ALA A 87 -8.052 4.803 -8.375 1.00 1.00 N ATOM 1325 CA ALA A 87 -7.139 4.541 -7.273 1.00 1.00 C ATOM 1326 C ALA A 87 -7.725 3.463 -6.358 1.00 1.00 C ATOM 1327 O ALA A 87 -7.050 2.500 -6.003 1.00 1.00 O ATOM 1328 CB ALA A 87 -6.874 5.849 -6.510 1.00 1.00 C ATOM 0 H ALA A 87 -8.411 5.758 -8.396 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.188 4.170 -7.655 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -6.190 5.656 -5.683 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -6.430 6.580 -7.185 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -7.814 6.239 -6.120 1.00 1.00 H new ATOM 1334 N GLN A 88 -8.993 3.628 -5.986 1.00 1.00 N ATOM 1335 CA GLN A 88 -9.735 2.713 -5.132 1.00 1.00 C ATOM 1336 C GLN A 88 -9.880 1.347 -5.831 1.00 1.00 C ATOM 1337 O GLN A 88 -9.643 0.313 -5.211 1.00 1.00 O ATOM 1338 CB GLN A 88 -11.031 3.465 -4.754 1.00 1.00 C ATOM 1339 CG GLN A 88 -12.041 2.850 -3.774 1.00 1.00 C ATOM 1340 CD GLN A 88 -12.958 1.794 -4.389 1.00 1.00 C ATOM 1341 OE1 GLN A 88 -12.516 0.768 -4.881 1.00 1.00 O ATOM 1342 NE2 GLN A 88 -14.268 2.006 -4.366 1.00 1.00 N ATOM 0 H GLN A 88 -9.548 4.431 -6.283 1.00 1.00 H new ATOM 0 HA GLN A 88 -9.239 2.444 -4.199 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -10.733 4.430 -4.343 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -11.567 3.666 -5.682 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -11.496 2.401 -2.944 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -12.655 3.648 -3.357 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -14.639 2.863 -3.955 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -14.904 1.312 -4.759 1.00 1.00 H new ATOM 1351 N ALA A 89 -10.122 1.321 -7.144 1.00 1.00 N ATOM 1352 CA ALA A 89 -10.190 0.088 -7.920 1.00 1.00 C ATOM 1353 C ALA A 89 -8.846 -0.641 -7.893 1.00 1.00 C ATOM 1354 O ALA A 89 -8.774 -1.819 -7.554 1.00 1.00 O ATOM 1355 CB ALA A 89 -10.616 0.402 -9.360 1.00 1.00 C ATOM 0 H ALA A 89 -10.277 2.163 -7.699 1.00 1.00 H new ATOM 0 HA ALA A 89 -10.934 -0.571 -7.473 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -10.665 -0.523 -9.935 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -11.597 0.878 -9.354 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -9.889 1.074 -9.816 1.00 1.00 H new ATOM 1361 N ALA A 90 -7.760 0.048 -8.234 1.00 1.00 N ATOM 1362 CA ALA A 90 -6.430 -0.534 -8.218 1.00 1.00 C ATOM 1363 C ALA A 90 -5.974 -0.860 -6.798 1.00 1.00 C ATOM 1364 O ALA A 90 -5.032 -1.631 -6.632 1.00 1.00 O ATOM 1365 CB ALA A 90 -5.436 0.409 -8.897 1.00 1.00 C ATOM 0 H ALA A 90 -7.782 1.024 -8.528 1.00 1.00 H new ATOM 0 HA ALA A 90 -6.468 -1.472 -8.772 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -4.441 -0.037 -8.880 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -5.741 0.576 -9.930 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -5.416 1.361 -8.366 1.00 1.00 H new ATOM 1371 N ALA A 91 -6.635 -0.352 -5.757 1.00 1.00 N ATOM 1372 CA ALA A 91 -6.299 -0.778 -4.410 1.00 1.00 C ATOM 1373 C ALA A 91 -6.539 -2.279 -4.241 1.00 1.00 C ATOM 1374 O ALA A 91 -5.781 -2.943 -3.535 1.00 1.00 O ATOM 1375 CB ALA A 91 -7.054 0.044 -3.366 1.00 1.00 C ATOM 0 H ALA A 91 -7.385 0.336 -5.822 1.00 1.00 H new ATOM 0 HA ALA A 91 -5.236 -0.597 -4.249 1.00 1.00 H new ATOM 0 HB1 ALA A 91 -6.782 -0.298 -2.367 1.00 1.00 H new ATOM 0 HB2 ALA A 91 -6.792 1.097 -3.473 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -8.127 -0.080 -3.512 1.00 1.00 H new ATOM 1381 N GLU A 92 -7.523 -2.850 -4.942 1.00 1.00 N ATOM 1382 CA GLU A 92 -7.705 -4.296 -4.938 1.00 1.00 C ATOM 1383 C GLU A 92 -6.460 -4.992 -5.505 1.00 1.00 C ATOM 1384 O GLU A 92 -6.091 -6.070 -5.046 1.00 1.00 O ATOM 1385 CB GLU A 92 -8.959 -4.668 -5.742 1.00 1.00 C ATOM 1386 CG GLU A 92 -10.252 -4.422 -4.941 1.00 1.00 C ATOM 1387 CD GLU A 92 -10.721 -5.663 -4.158 1.00 1.00 C ATOM 1388 OE1 GLU A 92 -10.562 -6.787 -4.682 1.00 1.00 O ATOM 1389 OE2 GLU A 92 -11.206 -5.497 -3.016 1.00 1.00 O ATOM 0 H GLU A 92 -8.196 -2.337 -5.511 1.00 1.00 H new ATOM 0 HA GLU A 92 -7.842 -4.636 -3.911 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -8.986 -4.084 -6.662 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -8.906 -5.718 -6.032 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -10.090 -3.600 -4.244 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -11.042 -4.110 -5.624 1.00 1.00 H new ATOM 1396 N GLN A 93 -5.742 -4.376 -6.449 1.00 1.00 N ATOM 1397 CA GLN A 93 -4.518 -4.980 -6.971 1.00 1.00 C ATOM 1398 C GLN A 93 -3.415 -4.999 -5.915 1.00 1.00 C ATOM 1399 O GLN A 93 -2.599 -5.919 -5.871 1.00 1.00 O ATOM 1400 CB GLN A 93 -4.009 -4.224 -8.207 1.00 1.00 C ATOM 1401 CG GLN A 93 -5.030 -4.093 -9.347 1.00 1.00 C ATOM 1402 CD GLN A 93 -5.011 -5.283 -10.305 1.00 1.00 C ATOM 1403 OE1 GLN A 93 -4.878 -5.116 -11.509 1.00 1.00 O ATOM 1404 NE2 GLN A 93 -5.137 -6.510 -9.815 1.00 1.00 N ATOM 0 H GLN A 93 -5.984 -3.474 -6.860 1.00 1.00 H new ATOM 0 HA GLN A 93 -4.766 -6.004 -7.251 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -3.696 -3.225 -7.902 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -3.123 -4.733 -8.588 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -6.029 -3.991 -8.923 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -4.827 -3.180 -9.906 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -5.248 -6.649 -8.811 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -5.123 -7.314 -10.443 1.00 1.00 H new ATOM 1413 N LEU A 94 -3.393 -4.024 -5.011 1.00 1.00 N ATOM 1414 CA LEU A 94 -2.385 -4.018 -3.959 1.00 1.00 C ATOM 1415 C LEU A 94 -2.601 -5.205 -3.026 1.00 1.00 C ATOM 1416 O LEU A 94 -1.674 -5.698 -2.381 1.00 1.00 O ATOM 1417 CB LEU A 94 -2.444 -2.686 -3.203 1.00 1.00 C ATOM 1418 CG LEU A 94 -2.275 -1.496 -4.161 1.00 1.00 C ATOM 1419 CD1 LEU A 94 -2.309 -0.179 -3.393 1.00 1.00 C ATOM 1420 CD2 LEU A 94 -0.951 -1.575 -4.920 1.00 1.00 C ATOM 0 H LEU A 94 -4.048 -3.243 -4.985 1.00 1.00 H new ATOM 0 HA LEU A 94 -1.391 -4.117 -4.395 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -3.397 -2.603 -2.680 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -1.661 -2.660 -2.445 1.00 1.00 H new ATOM 0 HG LEU A 94 -3.101 -1.538 -4.870 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -2.188 0.651 -4.089 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -3.264 -0.083 -2.877 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -1.499 -0.162 -2.664 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -0.863 -0.719 -5.589 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -0.124 -1.568 -4.210 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -0.920 -2.495 -5.503 1.00 1.00 H new ATOM 1432 N LYS A 95 -3.830 -5.713 -2.992 1.00 1.00 N ATOM 1433 CA LYS A 95 -4.179 -6.795 -2.109 1.00 1.00 C ATOM 1434 C LYS A 95 -3.593 -8.126 -2.583 1.00 1.00 C ATOM 1435 O LYS A 95 -3.434 -9.026 -1.764 1.00 1.00 O ATOM 1436 CB LYS A 95 -5.707 -6.872 -2.089 1.00 1.00 C ATOM 1437 CG LYS A 95 -6.294 -7.634 -0.906 1.00 1.00 C ATOM 1438 CD LYS A 95 -7.807 -7.427 -1.001 1.00 1.00 C ATOM 1439 CE LYS A 95 -8.538 -8.079 0.166 1.00 1.00 C ATOM 1440 NZ LYS A 95 -9.985 -7.775 0.093 1.00 1.00 N ATOM 0 H LYS A 95 -4.598 -5.382 -3.575 1.00 1.00 H new ATOM 0 HA LYS A 95 -3.772 -6.611 -1.115 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -6.108 -5.858 -2.085 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -6.045 -7.345 -3.011 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -6.038 -8.692 -0.954 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -5.904 -7.255 0.038 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -8.028 -6.360 -1.019 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -8.173 -7.844 -1.939 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -8.384 -9.158 0.145 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -8.129 -7.717 1.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -10.475 -8.224 0.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -10.126 -6.745 0.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -10.372 -8.142 -0.800 1.00 1.00 H new ATOM 1454 N THR A 96 -3.233 -8.294 -3.863 1.00 1.00 N ATOM 1455 CA THR A 96 -2.587 -9.531 -4.271 1.00 1.00 C ATOM 1456 C THR A 96 -1.221 -9.552 -3.632 1.00 1.00 C ATOM 1457 O THR A 96 -0.765 -10.546 -3.094 1.00 1.00 O ATOM 1458 CB THR A 96 -2.412 -9.700 -5.789 1.00 1.00 C ATOM 1459 OG1 THR A 96 -1.125 -9.331 -6.233 1.00 1.00 O ATOM 1460 CG2 THR A 96 -3.429 -9.011 -6.695 1.00 1.00 C ATOM 0 H THR A 96 -3.375 -7.609 -4.606 1.00 1.00 H new ATOM 0 HA THR A 96 -3.234 -10.348 -3.953 1.00 1.00 H new ATOM 0 HB THR A 96 -2.584 -10.771 -5.892 1.00 1.00 H new ATOM 0 HG1 THR A 96 -1.065 -9.458 -7.203 1.00 1.00 H new ATOM 0 HG21 THR A 96 -3.184 -9.215 -7.737 1.00 1.00 H new ATOM 0 HG22 THR A 96 -4.427 -9.390 -6.476 1.00 1.00 H new ATOM 0 HG23 THR A 96 -3.403 -7.936 -6.520 1.00 1.00 H new ATOM 1468 N THR A 97 -0.537 -8.429 -3.653 1.00 1.00 N ATOM 1469 CA THR A 97 0.805 -8.447 -3.154 1.00 1.00 C ATOM 1470 C THR A 97 0.788 -8.546 -1.628 1.00 1.00 C ATOM 1471 O THR A 97 1.751 -9.027 -1.038 1.00 1.00 O ATOM 1472 CB THR A 97 1.469 -7.203 -3.731 1.00 1.00 C ATOM 1473 OG1 THR A 97 1.450 -7.308 -5.136 1.00 1.00 O ATOM 1474 CG2 THR A 97 2.904 -7.015 -3.267 1.00 1.00 C ATOM 0 H THR A 97 -0.876 -7.530 -3.997 1.00 1.00 H new ATOM 0 HA THR A 97 1.387 -9.316 -3.462 1.00 1.00 H new ATOM 0 HB THR A 97 0.910 -6.337 -3.377 1.00 1.00 H new ATOM 0 HG1 THR A 97 1.872 -6.515 -5.529 1.00 1.00 H new ATOM 0 HG21 THR A 97 3.316 -6.111 -3.716 1.00 1.00 H new ATOM 0 HG22 THR A 97 2.926 -6.924 -2.181 1.00 1.00 H new ATOM 0 HG23 THR A 97 3.500 -7.875 -3.571 1.00 1.00 H new ATOM 1482 N ARG A 98 -0.335 -8.217 -0.977 1.00 1.00 N ATOM 1483 CA ARG A 98 -0.501 -8.559 0.432 1.00 1.00 C ATOM 1484 C ARG A 98 -1.081 -9.969 0.631 1.00 1.00 C ATOM 1485 O ARG A 98 -1.162 -10.412 1.765 1.00 1.00 O ATOM 1486 CB ARG A 98 -1.310 -7.472 1.177 1.00 1.00 C ATOM 1487 CG ARG A 98 -2.765 -7.884 1.403 1.00 1.00 C ATOM 1488 CD ARG A 98 -3.664 -7.081 2.331 1.00 1.00 C ATOM 1489 NE ARG A 98 -4.721 -8.034 2.713 1.00 1.00 N ATOM 1490 CZ ARG A 98 -5.218 -8.246 3.932 1.00 1.00 C ATOM 1491 NH1 ARG A 98 -5.204 -7.276 4.836 1.00 1.00 N ATOM 1492 NH2 ARG A 98 -5.723 -9.444 4.232 1.00 1.00 N ATOM 0 H ARG A 98 -1.124 -7.725 -1.396 1.00 1.00 H new ATOM 0 HA ARG A 98 0.493 -8.585 0.879 1.00 1.00 H new ATOM 0 HB2 ARG A 98 -0.839 -7.267 2.139 1.00 1.00 H new ATOM 0 HB3 ARG A 98 -1.282 -6.545 0.604 1.00 1.00 H new ATOM 0 HG2 ARG A 98 -3.248 -7.904 0.426 1.00 1.00 H new ATOM 0 HG3 ARG A 98 -2.754 -8.909 1.774 1.00 1.00 H new ATOM 0 HD2 ARG A 98 -3.118 -6.720 3.202 1.00 1.00 H new ATOM 0 HD3 ARG A 98 -4.077 -6.206 1.829 1.00 1.00 H new ATOM 0 HE ARG A 98 -5.118 -8.595 1.959 1.00 1.00 H new ATOM 0 HH11 ARG A 98 -4.812 -6.364 4.600 1.00 1.00 H new ATOM 0 HH12 ARG A 98 -5.585 -7.442 5.768 1.00 1.00 H new ATOM 0 HH21 ARG A 98 -5.726 -10.186 3.532 1.00 1.00 H new ATOM 0 HH22 ARG A 98 -6.106 -9.618 5.161 1.00 1.00 H new ATOM 1506 N ASN A 99 -1.570 -10.674 -0.388 1.00 1.00 N ATOM 1507 CA ASN A 99 -2.171 -11.997 -0.197 1.00 1.00 C ATOM 1508 C ASN A 99 -1.277 -13.067 -0.807 1.00 1.00 C ATOM 1509 O ASN A 99 -0.724 -13.908 -0.104 1.00 1.00 O ATOM 1510 CB ASN A 99 -3.592 -12.055 -0.780 1.00 1.00 C ATOM 1511 CG ASN A 99 -4.299 -13.328 -0.324 1.00 1.00 C ATOM 1512 OD1 ASN A 99 -4.040 -13.830 0.760 1.00 1.00 O ATOM 1513 ND2 ASN A 99 -5.219 -13.862 -1.116 1.00 1.00 N ATOM 0 H ASN A 99 -1.563 -10.352 -1.356 1.00 1.00 H new ATOM 0 HA ASN A 99 -2.257 -12.187 0.873 1.00 1.00 H new ATOM 0 HB2 ASN A 99 -4.160 -11.181 -0.460 1.00 1.00 H new ATOM 0 HB3 ASN A 99 -3.547 -12.026 -1.869 1.00 1.00 H new ATOM 0 HD21 ASN A 99 -5.720 -14.701 -0.823 1.00 1.00 H new ATOM 0 HD22 ASN A 99 -5.426 -13.434 -2.018 1.00 1.00 H new ATOM 1520 N ALA A 100 -1.085 -13.000 -2.123 1.00 1.00 N ATOM 1521 CA ALA A 100 -0.148 -13.856 -2.829 1.00 1.00 C ATOM 1522 C ALA A 100 1.249 -13.689 -2.257 1.00 1.00 C ATOM 1523 O ALA A 100 1.857 -14.672 -1.830 1.00 1.00 O ATOM 1524 CB ALA A 100 -0.129 -13.521 -4.324 1.00 1.00 C ATOM 0 H ALA A 100 -1.580 -12.345 -2.728 1.00 1.00 H new ATOM 0 HA ALA A 100 -0.471 -14.889 -2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 100 0.579 -14.174 -4.834 1.00 1.00 H new ATOM 0 HB2 ALA A 100 -1.125 -13.668 -4.743 1.00 1.00 H new ATOM 0 HB3 ALA A 100 0.172 -12.482 -4.460 1.00 1.00 H new ATOM 1530 N TYR A 101 1.798 -12.467 -2.279 1.00 1.00 N ATOM 1531 CA TYR A 101 3.181 -12.363 -1.853 1.00 1.00 C ATOM 1532 C TYR A 101 3.316 -12.648 -0.369 1.00 1.00 C ATOM 1533 O TYR A 101 4.345 -13.162 0.067 1.00 1.00 O ATOM 1534 CB TYR A 101 3.820 -11.022 -2.229 1.00 1.00 C ATOM 1535 CG TYR A 101 5.272 -11.088 -2.680 1.00 1.00 C ATOM 1536 CD1 TYR A 101 5.818 -12.226 -3.317 1.00 1.00 C ATOM 1537 CD2 TYR A 101 6.094 -9.969 -2.468 1.00 1.00 C ATOM 1538 CE1 TYR A 101 7.150 -12.241 -3.756 1.00 1.00 C ATOM 1539 CE2 TYR A 101 7.437 -10.002 -2.879 1.00 1.00 C ATOM 1540 CZ TYR A 101 7.956 -11.105 -3.572 1.00 1.00 C ATOM 1541 OH TYR A 101 9.235 -11.079 -4.035 1.00 1.00 O ATOM 0 H TYR A 101 1.340 -11.602 -2.566 1.00 1.00 H new ATOM 0 HA TYR A 101 3.736 -13.127 -2.398 1.00 1.00 H new ATOM 0 HB2 TYR A 101 3.231 -10.570 -3.027 1.00 1.00 H new ATOM 0 HB3 TYR A 101 3.756 -10.356 -1.369 1.00 1.00 H new ATOM 0 HD1 TYR A 101 5.199 -13.098 -3.468 1.00 1.00 H new ATOM 0 HD2 TYR A 101 5.695 -9.086 -1.991 1.00 1.00 H new ATOM 0 HE1 TYR A 101 7.554 -13.122 -4.233 1.00 1.00 H new ATOM 0 HE2 TYR A 101 8.081 -9.164 -2.657 1.00 1.00 H new ATOM 0 HH TYR A 101 9.306 -11.645 -4.832 1.00 1.00 H new ATOM 1551 N HIS A 102 2.243 -12.423 0.394 1.00 1.00 N ATOM 1552 CA HIS A 102 2.247 -12.840 1.775 1.00 1.00 C ATOM 1553 C HIS A 102 2.398 -14.355 1.861 1.00 1.00 C ATOM 1554 O HIS A 102 3.143 -14.818 2.702 1.00 1.00 O ATOM 1555 CB HIS A 102 0.966 -12.429 2.492 1.00 1.00 C ATOM 1556 CG HIS A 102 0.992 -11.180 3.345 1.00 1.00 C ATOM 1557 ND1 HIS A 102 -0.055 -10.840 4.164 1.00 1.00 N ATOM 1558 CD2 HIS A 102 1.929 -10.176 3.425 1.00 1.00 C ATOM 1559 CE1 HIS A 102 0.226 -9.654 4.709 1.00 1.00 C ATOM 1560 NE2 HIS A 102 1.436 -9.215 4.325 1.00 1.00 N ATOM 0 H HIS A 102 1.387 -11.966 0.079 1.00 1.00 H new ATOM 0 HA HIS A 102 3.089 -12.348 2.262 1.00 1.00 H new ATOM 0 HB2 HIS A 102 0.189 -12.301 1.738 1.00 1.00 H new ATOM 0 HB3 HIS A 102 0.659 -13.260 3.128 1.00 1.00 H new ATOM 0 HD1 HIS A 102 -0.896 -11.393 4.327 1.00 1.00 H new ATOM 0 HD2 HIS A 102 2.869 -10.134 2.895 1.00 1.00 H new ATOM 0 HE1 HIS A 102 -0.435 -9.117 5.373 1.00 1.00 H new ATOM 1568 N GLN A 103 1.769 -15.169 1.009 1.00 1.00 N ATOM 1569 CA GLN A 103 2.030 -16.601 1.133 1.00 1.00 C ATOM 1570 C GLN A 103 3.521 -16.909 0.999 1.00 1.00 C ATOM 1571 O GLN A 103 4.035 -17.783 1.697 1.00 1.00 O ATOM 1572 CB GLN A 103 1.349 -17.444 0.061 1.00 1.00 C ATOM 1573 CG GLN A 103 -0.175 -17.520 0.078 1.00 1.00 C ATOM 1574 CD GLN A 103 -0.544 -18.912 -0.429 1.00 1.00 C ATOM 1575 OE1 GLN A 103 -0.242 -19.264 -1.562 1.00 1.00 O ATOM 1576 NE2 GLN A 103 -1.104 -19.761 0.423 1.00 1.00 N ATOM 0 H GLN A 103 1.120 -14.887 0.275 1.00 1.00 H new ATOM 0 HA GLN A 103 1.636 -16.855 2.117 1.00 1.00 H new ATOM 0 HB2 GLN A 103 1.654 -17.059 -0.912 1.00 1.00 H new ATOM 0 HB3 GLN A 103 1.736 -18.460 0.138 1.00 1.00 H new ATOM 0 HG2 GLN A 103 -0.560 -17.359 1.085 1.00 1.00 H new ATOM 0 HG3 GLN A 103 -0.609 -16.748 -0.557 1.00 1.00 H new ATOM 0 HE21 GLN A 103 -1.350 -19.452 1.364 1.00 1.00 H new ATOM 0 HE22 GLN A 103 -1.289 -20.723 0.137 1.00 1.00 H new ATOM 1585 N LYS A 104 4.238 -16.217 0.104 1.00 1.00 N ATOM 1586 CA LYS A 104 5.654 -16.533 -0.053 1.00 1.00 C ATOM 1587 C LYS A 104 6.404 -16.112 1.197 1.00 1.00 C ATOM 1588 O LYS A 104 7.255 -16.841 1.699 1.00 1.00 O ATOM 1589 CB LYS A 104 6.318 -15.817 -1.229 1.00 1.00 C ATOM 1590 CG LYS A 104 5.524 -15.770 -2.525 1.00 1.00 C ATOM 1591 CD LYS A 104 5.000 -17.104 -3.048 1.00 1.00 C ATOM 1592 CE LYS A 104 4.459 -16.786 -4.447 1.00 1.00 C ATOM 1593 NZ LYS A 104 4.632 -17.906 -5.393 1.00 1.00 N ATOM 0 H LYS A 104 3.880 -15.472 -0.493 1.00 1.00 H new ATOM 0 HA LYS A 104 5.700 -17.607 -0.234 1.00 1.00 H new ATOM 0 HB2 LYS A 104 6.539 -14.794 -0.926 1.00 1.00 H new ATOM 0 HB3 LYS A 104 7.273 -16.303 -1.430 1.00 1.00 H new ATOM 0 HG2 LYS A 104 4.675 -15.102 -2.381 1.00 1.00 H new ATOM 0 HG3 LYS A 104 6.153 -15.324 -3.295 1.00 1.00 H new ATOM 0 HD2 LYS A 104 5.792 -17.852 -3.090 1.00 1.00 H new ATOM 0 HD3 LYS A 104 4.218 -17.503 -2.402 1.00 1.00 H new ATOM 0 HE2 LYS A 104 3.400 -16.537 -4.375 1.00 1.00 H new ATOM 0 HE3 LYS A 104 4.968 -15.904 -4.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 4.250 -17.638 -6.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 5.644 -18.129 -5.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 4.125 -18.742 -5.038 1.00 1.00 H new ATOM 1607 N TYR A 105 6.049 -14.950 1.739 1.00 1.00 N ATOM 1608 CA TYR A 105 6.927 -14.178 2.599 1.00 1.00 C ATOM 1609 C TYR A 105 6.235 -13.714 3.863 1.00 1.00 C ATOM 1610 O TYR A 105 6.706 -12.785 4.506 1.00 1.00 O ATOM 1611 CB TYR A 105 7.532 -13.031 1.796 1.00 1.00 C ATOM 1612 CG TYR A 105 8.503 -13.506 0.734 1.00 1.00 C ATOM 1613 CD1 TYR A 105 9.391 -14.571 0.997 1.00 1.00 C ATOM 1614 CD2 TYR A 105 8.545 -12.861 -0.514 1.00 1.00 C ATOM 1615 CE1 TYR A 105 10.322 -14.980 0.034 1.00 1.00 C ATOM 1616 CE2 TYR A 105 9.533 -13.222 -1.447 1.00 1.00 C ATOM 1617 CZ TYR A 105 10.443 -14.258 -1.163 1.00 1.00 C ATOM 1618 OH TYR A 105 11.479 -14.516 -2.002 1.00 1.00 O ATOM 0 H TYR A 105 5.137 -14.519 1.590 1.00 1.00 H new ATOM 0 HA TYR A 105 7.738 -14.819 2.945 1.00 1.00 H new ATOM 0 HB2 TYR A 105 6.731 -12.463 1.322 1.00 1.00 H new ATOM 0 HB3 TYR A 105 8.047 -12.351 2.474 1.00 1.00 H new ATOM 0 HD1 TYR A 105 9.352 -15.076 1.951 1.00 1.00 H new ATOM 0 HD2 TYR A 105 7.824 -12.094 -0.755 1.00 1.00 H new ATOM 0 HE1 TYR A 105 10.943 -15.846 0.212 1.00 1.00 H new ATOM 0 HE2 TYR A 105 9.594 -12.700 -2.390 1.00 1.00 H new ATOM 0 HH TYR A 105 11.418 -13.932 -2.786 1.00 1.00 H new ATOM 1628 N ARG A 106 5.169 -14.411 4.250 1.00 1.00 N ATOM 1629 CA ARG A 106 4.309 -14.128 5.363 1.00 1.00 C ATOM 1630 C ARG A 106 3.661 -15.389 5.927 1.00 1.00 C ATOM 1631 O ARG A 106 3.473 -15.444 7.163 1.00 1.00 O ATOM 1632 CB ARG A 106 3.749 -12.705 5.272 1.00 1.00 C ATOM 1633 CG ARG A 106 2.773 -12.214 6.328 1.00 1.00 C ATOM 1634 CD ARG A 106 1.930 -13.260 7.009 1.00 1.00 C ATOM 1635 NE ARG A 106 0.652 -12.777 7.502 1.00 1.00 N ATOM 1636 CZ ARG A 106 0.006 -13.451 8.458 1.00 1.00 C ATOM 1637 NH1 ARG A 106 0.603 -14.479 9.070 1.00 1.00 N ATOM 1638 NH2 ARG A 106 -1.239 -13.108 8.778 1.00 1.00 N ATOM 1639 OXT ARG A 106 3.593 -16.371 5.160 1.00 1.00 O ATOM 0 H ARG A 106 4.875 -15.248 3.747 1.00 1.00 H new ATOM 0 HA ARG A 106 4.715 -13.926 6.354 1.00 1.00 H new ATOM 0 HB2 ARG A 106 4.597 -12.020 5.268 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.258 -12.609 4.304 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.339 -11.682 7.093 1.00 1.00 H new ATOM 0 HG3 ARG A 106 2.105 -11.489 5.863 1.00 1.00 H new ATOM 0 HD2 ARG A 106 1.750 -14.076 6.309 1.00 1.00 H new ATOM 0 HD3 ARG A 106 2.494 -13.675 7.844 1.00 1.00 H new ATOM 0 HE ARG A 106 0.247 -11.923 7.118 1.00 1.00 H new ATOM 0 HH11 ARG A 106 1.551 -14.748 8.807 1.00 1.00 H new ATOM 0 HH12 ARG A 106 0.110 -14.994 9.800 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -1.695 -12.334 8.294 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -1.737 -13.619 9.507 1.00 1.00 H new TER 1653 ARG A 106 HETATM 1654 FE HEM A 107 2.258 -7.553 5.013 1.00 1.00 FE HETATM 1655 CHA HEM A 107 2.314 -8.973 8.107 1.00 1.00 C HETATM 1656 CHB HEM A 107 -0.757 -6.058 5.779 1.00 1.00 C HETATM 1657 CHC HEM A 107 2.335 -6.110 1.965 1.00 1.00 C HETATM 1658 CHD HEM A 107 5.465 -8.968 4.422 1.00 1.00 C HETATM 1659 NA HEM A 107 1.007 -7.536 6.637 1.00 1.00 N HETATM 1660 C1A HEM A 107 1.226 -8.250 7.755 1.00 1.00 C HETATM 1661 C2A HEM A 107 0.107 -8.117 8.630 1.00 1.00 C HETATM 1662 C3A HEM A 107 -0.757 -7.265 8.011 1.00 1.00 C HETATM 1663 C4A HEM A 107 -0.191 -6.899 6.728 1.00 1.00 C HETATM 1664 CMA HEM A 107 -2.005 -6.837 8.669 1.00 1.00 C HETATM 1665 CAA HEM A 107 0.025 -8.751 10.003 1.00 1.00 C HETATM 1666 CBA HEM A 107 -0.643 -8.068 11.217 1.00 1.00 C HETATM 1667 CGA HEM A 107 -0.866 -9.024 12.375 1.00 1.00 C HETATM 1668 O1A HEM A 107 -0.739 -8.550 13.523 1.00 1.00 O HETATM 1669 O2A HEM A 107 -1.210 -10.192 12.089 1.00 1.00 O HETATM 1670 NB HEM A 107 1.002 -6.365 4.033 1.00 1.00 N HETATM 1671 C1B HEM A 107 -0.156 -5.832 4.532 1.00 1.00 C HETATM 1672 C2B HEM A 107 -0.669 -4.922 3.536 1.00 1.00 C HETATM 1673 C3B HEM A 107 0.206 -4.945 2.470 1.00 1.00 C HETATM 1674 C4B HEM A 107 1.260 -5.860 2.806 1.00 1.00 C HETATM 1675 CMB HEM A 107 -1.853 -4.028 3.762 1.00 1.00 C HETATM 1676 CAB HEM A 107 0.182 -4.178 1.173 1.00 1.00 C HETATM 1677 CBB HEM A 107 -1.055 -3.366 0.836 1.00 1.00 C HETATM 1678 NC HEM A 107 3.649 -7.553 3.467 1.00 1.00 N HETATM 1679 C1C HEM A 107 3.427 -6.904 2.311 1.00 1.00 C HETATM 1680 C2C HEM A 107 4.529 -7.184 1.431 1.00 1.00 C HETATM 1681 C3C HEM A 107 5.431 -7.971 2.114 1.00 1.00 C HETATM 1682 C4C HEM A 107 4.860 -8.208 3.420 1.00 1.00 C HETATM 1683 CMC HEM A 107 4.516 -6.824 -0.022 1.00 1.00 C HETATM 1684 CAC HEM A 107 6.755 -8.516 1.615 1.00 1.00 C HETATM 1685 CBC HEM A 107 7.420 -7.741 0.480 1.00 1.00 C HETATM 1686 ND HEM A 107 3.652 -8.675 6.086 1.00 1.00 N HETATM 1687 C1D HEM A 107 4.870 -9.139 5.664 1.00 1.00 C HETATM 1688 C2D HEM A 107 5.437 -9.871 6.774 1.00 1.00 C HETATM 1689 C3D HEM A 107 4.524 -9.875 7.778 1.00 1.00 C HETATM 1690 C4D HEM A 107 3.412 -9.117 7.329 1.00 1.00 C HETATM 1691 CMD HEM A 107 6.738 -10.558 6.920 1.00 1.00 C HETATM 1692 CAD HEM A 107 4.537 -10.691 9.042 1.00 1.00 C HETATM 1693 CBD HEM A 107 5.019 -9.893 10.237 1.00 1.00 C HETATM 1694 CGD HEM A 107 4.080 -10.031 11.412 1.00 1.00 C HETATM 1695 O1D HEM A 107 3.575 -8.969 11.830 1.00 1.00 O HETATM 1696 O2D HEM A 107 3.845 -11.190 11.812 1.00 1.00 O HETATM 0 HMA1 HEM A 107 -2.374 -7.640 9.307 1.00 1.00 H new HETATM 0 HMA2 HEM A 107 -2.753 -6.602 7.912 1.00 1.00 H new HETATM 0 HMA3 HEM A 107 -1.812 -5.952 9.275 1.00 1.00 H new HETATM 0 HMB1 HEM A 107 -1.743 -3.121 3.168 1.00 1.00 H new HETATM 0 HMB2 HEM A 107 -1.914 -3.765 4.818 1.00 1.00 H new HETATM 0 HMB3 HEM A 107 -2.764 -4.548 3.465 1.00 1.00 H new HETATM 0 HMC1 HEM A 107 3.492 -6.850 -0.394 1.00 1.00 H new HETATM 0 HMC2 HEM A 107 5.123 -7.538 -0.579 1.00 1.00 H new HETATM 0 HMC3 HEM A 107 4.924 -5.821 -0.152 1.00 1.00 H new HETATM 0 HMD1 HEM A 107 7.068 -10.923 5.947 1.00 1.00 H new HETATM 0 HMD2 HEM A 107 6.631 -11.398 7.606 1.00 1.00 H new HETATM 0 HMD3 HEM A 107 7.476 -9.860 7.315 1.00 1.00 H new HETATM 0 HBB1 HEM A 107 -1.099 -2.802 -0.095 1.00 1.00 H new HETATM 0 HBB2 HEM A 107 -1.899 -3.347 1.525 1.00 1.00 H new HETATM 0 HBC1 HEM A 107 8.374 -8.079 0.075 1.00 1.00 H new HETATM 0 HBC2 HEM A 107 6.941 -6.850 0.075 1.00 1.00 H new HETATM 0 HBA1 HEM A 107 -1.600 -7.645 10.910 1.00 1.00 H new HETATM 0 HBA2 HEM A 107 -0.020 -7.238 11.551 1.00 1.00 H new HETATM 0 HAA1 HEM A 107 1.050 -8.973 10.301 1.00 1.00 H new HETATM 0 HAA2 HEM A 107 -0.482 -9.707 9.870 1.00 1.00 H new HETATM 0 HBD1 HEM A 107 5.107 -8.842 9.962 1.00 1.00 H new HETATM 0 HBD2 HEM A 107 6.014 -10.232 10.524 1.00 1.00 H new HETATM 0 HAD1 HEM A 107 5.181 -11.560 8.904 1.00 1.00 H new HETATM 0 HAD2 HEM A 107 3.533 -11.066 9.240 1.00 1.00 H new HETATM 0 HHA HEM A 107 2.306 -9.466 9.068 1.00 1.00 H new HETATM 0 HHB HEM A 107 -1.689 -5.563 6.008 1.00 1.00 H new HETATM 0 HHC HEM A 107 2.325 -5.662 0.982 1.00 1.00 H new HETATM 0 HHD HEM A 107 6.419 -9.434 4.226 1.00 1.00 H new HETATM 0 HAB HEM A 107 1.033 -4.206 0.493 1.00 1.00 H new HETATM 0 HAC HEM A 107 7.207 -9.411 2.043 1.00 1.00 H new CONECT 91 1654 CONECT 1560 1654 CONECT 1654 91 1560 1659 1670 CONECT 1654 1678 1686 CONECT 1655 1660 1690 1697 CONECT 1656 1663 1671 1698 CONECT 1657 1674 1679 1699 CONECT 1658 1682 1687 1700 CONECT 1659 1654 1660 1663 CONECT 1660 1655 1659 1661 CONECT 1661 1660 1662 1665 CONECT 1662 1661 1663 1664 CONECT 1663 1656 1659 1662 CONECT 1664 1662 1701 1702 1703 CONECT 1665 1661 1666 1704 1705 CONECT 1666 1665 1667 1706 1707 CONECT 1667 1666 1668 1669 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1654 1671 1674 CONECT 1671 1656 1670 1672 CONECT 1672 1671 1673 1675 CONECT 1673 1672 1674 1676 CONECT 1674 1657 1670 1673 CONECT 1675 1672 1708 1709 1710 CONECT 1676 1673 1677 1711 CONECT 1677 1676 1712 1713 CONECT 1678 1654 1679 1682 CONECT 1679 1657 1678 1680 CONECT 1680 1679 1681 1683 CONECT 1681 1680 1682 1684 CONECT 1682 1658 1678 1681 CONECT 1683 1680 1714 1715 1716 CONECT 1684 1681 1685 1717 CONECT 1685 1684 1718 1719 CONECT 1686 1654 1687 1690 CONECT 1687 1658 1686 1688 CONECT 1688 1687 1689 1691 CONECT 1689 1688 1690 1692 CONECT 1690 1655 1686 1689 CONECT 1691 1688 1720 1721 1722 CONECT 1692 1689 1693 1723 1724 CONECT 1693 1692 1694 1725 1726 CONECT 1694 1693 1695 1696 CONECT 1695 1694 CONECT 1696 1694 CONECT 1697 1655 CONECT 1698 1656 CONECT 1699 1657 CONECT 1700 1658 CONECT 1701 1664 CONECT 1702 1664 CONECT 1703 1664 CONECT 1704 1665 CONECT 1705 1665 CONECT 1706 1666 CONECT 1707 1666 CONECT 1708 1675 CONECT 1709 1675 CONECT 1710 1675 CONECT 1711 1676 CONECT 1712 1677 CONECT 1713 1677 CONECT 1714 1683 CONECT 1715 1683 CONECT 1716 1683 CONECT 1717 1684 CONECT 1718 1685 CONECT 1719 1685 CONECT 1720 1691 CONECT 1721 1691 CONECT 1722 1691 CONECT 1723 1692 CONECT 1724 1692 CONECT 1725 1693 CONECT 1726 1693 END