USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 682 hydrogens (30 hets) HEADER ELECTRON TRANSPORT 28-JUL-97 1AQA TITLE SOLUTION STRUCTURE OF REDUCED MICROSOMAL RAT CYTOCHROME B5, TITLE 2 NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SOLUBLE DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 STRAIN: NM522; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM; SOURCE 7 GENE: CYB5; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: NM522; SOURCE 1 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PUC 13; SOURCE 4 EXPRESSION_SYSTEM_GENE: SYNRATCYB5; SOURCE 5 OTHER_DETAILS: CLONING VECTOR PUC13 KEYWDS CYTOCHROME B5, PROTEIN RECOGNITION, SOLUTION STRUCTURES, KEYWDS 2 SECONDARY STRUCTURES, ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,F.FERRONI,A.ROSATO REVDAT 2 24-FEB-09 1AQA 1 VERSN REVDAT 1 17-SEP-97 1AQA 0 JRNL AUTH L.BANCI,I.BERTINI,F.FERRONI,A.ROSATO JRNL TITL SOLUTION STRUCTURE OF REDUCED MICROSOMAL RAT JRNL TITL 2 CYTOCHROME B5. JRNL REF EUR.J.BIOCHEM. V. 249 270 1997 JRNL REFN ISSN 0014-2956 JRNL PMID 9363779 JRNL DOI 10.1111/J.1432-1033.1997.T01-1-00270.X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DIANA REMARK 3 AUTHORS : WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1AQA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY WATERGATE, TOCSY, COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE 800 MHZ, AMX 600 MHZ REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, AMBER REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR REMARK 210 DYNAMICS SIMULATED ANNEALING, REMARK 210 RESTRAINED ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ASP A 1 REMARK 465 LYS A 2 REMARK 465 ASP A 3 REMARK 465 VAL A 4 REMARK 465 LYS A 89 REMARK 465 PRO A 90 REMARK 465 SER A 91 REMARK 465 GLU A 92 REMARK 465 THR A 93 REMARK 465 LEU A 94 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 18 94.89 78.79 REMARK 500 LYS A 19 -8.53 76.97 REMARK 500 THR A 33 57.30 -64.93 REMARK 500 LYS A 34 -51.10 -174.23 REMARK 500 GLU A 44 -65.11 -29.04 REMARK 500 THR A 55 -59.89 -17.53 REMARK 500 PHE A 58 -71.87 -74.93 REMARK 500 TYR A 74 -83.86 -80.25 REMARK 500 ILE A 75 97.03 55.32 REMARK 500 GLU A 78 -84.57 -103.75 REMARK 500 LEU A 79 162.00 169.17 REMARK 500 ASP A 82 -53.14 -150.68 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 95A FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 NE2 REMARK 620 2 HIS A 63 NE2 171.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: S1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 95A DBREF 1AQA A 1 94 UNP P00173 CYB5_RAT 5 98 SEQRES 1 A 94 ASP LYS ASP VAL LYS TYR TYR THR LEU GLU GLU ILE GLN SEQRES 2 A 94 LYS HIS LYS ASP SER LYS SER THR TRP VAL ILE LEU HIS SEQRES 3 A 94 HIS LYS VAL TYR ASP LEU THR LYS PHE LEU GLU GLU HIS SEQRES 4 A 94 PRO GLY GLY GLU GLU VAL LEU ARG GLU GLN ALA GLY GLY SEQRES 5 A 94 ASP ALA THR GLU ASN PHE GLU ASP VAL GLY HIS SER THR SEQRES 6 A 94 ASP ALA ARG GLU LEU SER LYS THR TYR ILE ILE GLY GLU SEQRES 7 A 94 LEU HIS PRO ASP ASP ARG SER LYS ILE ALA LYS PRO SER SEQRES 8 A 94 GLU THR LEU HET HEM A 95A 73 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 1 THR A 8 HIS A 15 1 8 HELIX 2 2 THR A 33 GLU A 38 5 6 HELIX 3 3 GLY A 42 GLU A 48 1 7 HELIX 4 4 ALA A 54 ASP A 60 1 7 HELIX 5 5 SER A 64 ILE A 75 1 12 HELIX 6 6 ASP A 82 LYS A 86 1 5 SHEET 1 A 2 TRP A 22 ILE A 24 0 SHEET 2 A 2 VAL A 29 ASP A 31 -1 N TYR A 30 O VAL A 23 LINK FE HEM A 95A NE2 HIS A 39 1555 1555 2.01 LINK FE HEM A 95A NE2 HIS A 63 1555 1555 2.02 SITE *** S1 2 HIS A 39 HEM A 95A SITE *** AC1 9 PHE A 35 HIS A 39 VAL A 45 LEU A 46 SITE *** AC1 9 ASN A 57 VAL A 61 HIS A 63 ALA A 67 SITE *** AC1 9 LEU A 70 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 39 HIS HE2 : A 39 HIS NE2 : A 95AHEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95AHEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.789 K(o=1.8,f=-2.1) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.967 K(o=1.8,f=-1.4!) USER MOD Set 2.1: A 30 TYR OH : rot -147:sc= 1.16 USER MOD Set 2.2: A 71 SER OG : rot -80:sc= 2.14 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= 2.35 (180deg=0.805) USER MOD Single : A 15 HIS : no HE2:sc= 0.999 K(o=1,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc=-0.00265 (180deg=-0.0999) USER MOD Single : A 20 SER OG : rot 14:sc= 0.73 USER MOD Single : A 21 THR OG1 : rot 100:sc= -0.44 USER MOD Single : A 26 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Single : A 27 HIS : no HD1:sc=-0.00812 K(o=-0.0081,f=-0.76) USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= 1.02 (180deg=-1.16) USER MOD Single : A 33 THR OG1 : rot -50:sc= 0.0665 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0.942 (180deg=0.723) USER MOD Single : A 55 THR OG1 : rot 34:sc= 1.61 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 102:sc= 0.0815 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0.985 (180deg=0.934) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : A 85 SER OG : rot -36:sc= 0.735 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95AHEM CMA :methyl 150:sc= -0.0321 (180deg=-0.0321) USER MOD Single : A 95AHEM CMB :methyl 150:sc= -0.47 (180deg=-0.47) USER MOD Single : A 95AHEM CMC :methyl 150:sc= -0.757 (180deg=-0.757) USER MOD Single : A 95AHEM CMD :methyl -30:sc= -3.02! (180deg=-5.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -6.353 -11.259 6.115 1.00 0.00 N ATOM 2 CA LYS A 5 -6.445 -12.172 4.998 1.00 0.00 C ATOM 3 C LYS A 5 -5.165 -12.009 4.202 1.00 0.00 C ATOM 4 O LYS A 5 -4.581 -10.932 4.195 1.00 0.00 O ATOM 5 CB LYS A 5 -7.690 -11.875 4.141 1.00 0.00 C ATOM 6 CG LYS A 5 -8.580 -13.118 4.055 1.00 0.00 C ATOM 7 CD LYS A 5 -9.862 -12.809 3.274 1.00 0.00 C ATOM 8 CE LYS A 5 -10.732 -14.072 3.196 1.00 0.00 C ATOM 9 NZ LYS A 5 -12.003 -13.832 2.482 1.00 0.00 N ATOM 0 HA LYS A 5 -6.555 -13.201 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.250 -11.047 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.387 -11.566 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.037 -13.928 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.832 -13.462 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.413 -12.005 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.615 -12.463 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.177 -14.862 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.945 -14.427 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.557 -14.712 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.546 -13.096 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.802 -13.519 1.511 1.00 0.00 H new ATOM 23 N TYR A 6 -4.693 -13.077 3.579 1.00 0.00 N ATOM 24 CA TYR A 6 -3.471 -13.046 2.807 1.00 0.00 C ATOM 25 C TYR A 6 -3.806 -12.715 1.352 1.00 0.00 C ATOM 26 O TYR A 6 -4.921 -12.959 0.893 1.00 0.00 O ATOM 27 CB TYR A 6 -2.797 -14.409 2.951 1.00 0.00 C ATOM 28 CG TYR A 6 -2.634 -14.905 4.380 1.00 0.00 C ATOM 29 CD1 TYR A 6 -2.238 -14.025 5.407 1.00 0.00 C ATOM 30 CD2 TYR A 6 -2.975 -16.233 4.701 1.00 0.00 C ATOM 31 CE1 TYR A 6 -2.221 -14.456 6.744 1.00 0.00 C ATOM 32 CE2 TYR A 6 -2.952 -16.665 6.038 1.00 0.00 C ATOM 33 CZ TYR A 6 -2.584 -15.775 7.060 1.00 0.00 C ATOM 34 OH TYR A 6 -2.597 -16.192 8.357 1.00 0.00 O ATOM 0 H TYR A 6 -5.150 -13.989 3.597 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.785 -12.278 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.377 -15.144 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.812 -14.360 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.946 -13.014 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.255 -16.921 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.929 -13.773 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.218 -17.683 6.280 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.873 -17.132 8.396 1.00 0.00 H new ATOM 44 N TYR A 7 -2.826 -12.162 0.642 1.00 0.00 N ATOM 45 CA TYR A 7 -2.852 -11.866 -0.778 1.00 0.00 C ATOM 46 C TYR A 7 -1.439 -12.138 -1.278 1.00 0.00 C ATOM 47 O TYR A 7 -0.498 -12.060 -0.488 1.00 0.00 O ATOM 48 CB TYR A 7 -3.263 -10.408 -1.013 1.00 0.00 C ATOM 49 CG TYR A 7 -4.736 -10.139 -0.769 1.00 0.00 C ATOM 50 CD1 TYR A 7 -5.696 -10.695 -1.635 1.00 0.00 C ATOM 51 CD2 TYR A 7 -5.152 -9.346 0.316 1.00 0.00 C ATOM 52 CE1 TYR A 7 -7.062 -10.434 -1.437 1.00 0.00 C ATOM 53 CE2 TYR A 7 -6.518 -9.078 0.508 1.00 0.00 C ATOM 54 CZ TYR A 7 -7.472 -9.618 -0.368 1.00 0.00 C ATOM 55 OH TYR A 7 -8.795 -9.346 -0.185 1.00 0.00 O ATOM 0 H TYR A 7 -1.941 -11.894 1.074 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.580 -12.477 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.673 -9.764 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.018 -10.132 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.381 -11.324 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.421 -8.943 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.796 -10.860 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.834 -8.455 1.332 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.905 -8.769 0.599 1.00 0.00 H new ATOM 65 N THR A 8 -1.296 -12.497 -2.551 1.00 0.00 N ATOM 66 CA THR A 8 -0.020 -12.780 -3.178 1.00 0.00 C ATOM 67 C THR A 8 0.422 -11.556 -3.981 1.00 0.00 C ATOM 68 O THR A 8 -0.413 -10.784 -4.466 1.00 0.00 O ATOM 69 CB THR A 8 -0.218 -13.983 -4.108 1.00 0.00 C ATOM 70 OG1 THR A 8 -1.411 -13.790 -4.848 1.00 0.00 O ATOM 71 CG2 THR A 8 -0.344 -15.277 -3.297 1.00 0.00 C ATOM 0 H THR A 8 -2.088 -12.600 -3.186 1.00 0.00 H new ATOM 0 HA THR A 8 0.745 -13.004 -2.435 1.00 0.00 H new ATOM 0 HB THR A 8 0.642 -14.066 -4.772 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.550 -14.551 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.484 -16.119 -3.975 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.563 -15.429 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.201 -15.204 -2.627 1.00 0.00 H new ATOM 79 N LEU A 9 1.736 -11.405 -4.168 1.00 0.00 N ATOM 80 CA LEU A 9 2.321 -10.366 -4.986 1.00 0.00 C ATOM 81 C LEU A 9 1.636 -10.240 -6.348 1.00 0.00 C ATOM 82 O LEU A 9 1.511 -9.134 -6.860 1.00 0.00 O ATOM 83 CB LEU A 9 3.825 -10.617 -5.161 1.00 0.00 C ATOM 84 CG LEU A 9 4.577 -9.286 -5.116 1.00 0.00 C ATOM 85 CD1 LEU A 9 4.856 -8.847 -3.672 1.00 0.00 C ATOM 86 CD2 LEU A 9 5.893 -9.379 -5.893 1.00 0.00 C ATOM 0 H LEU A 9 2.428 -12.020 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 9 2.170 -9.420 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.188 -11.278 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.012 -11.120 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 9 3.939 -8.537 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.392 -7.898 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.913 -8.728 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.462 -9.603 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.411 -8.421 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.522 -10.153 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.684 -9.630 -6.933 1.00 0.00 H new ATOM 98 N GLU A 10 1.194 -11.358 -6.934 1.00 0.00 N ATOM 99 CA GLU A 10 0.486 -11.354 -8.205 1.00 0.00 C ATOM 100 C GLU A 10 -0.727 -10.408 -8.150 1.00 0.00 C ATOM 101 O GLU A 10 -0.801 -9.431 -8.899 1.00 0.00 O ATOM 102 CB GLU A 10 0.074 -12.788 -8.580 1.00 0.00 C ATOM 103 CG GLU A 10 -0.350 -12.859 -10.052 1.00 0.00 C ATOM 104 CD GLU A 10 -1.231 -14.067 -10.345 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.809 -15.180 -9.972 1.00 0.00 O ATOM 106 OE2 GLU A 10 -2.319 -13.846 -10.925 1.00 0.00 O ATOM 0 H GLU A 10 1.320 -12.288 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 10 1.151 -10.980 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.906 -13.470 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.748 -13.115 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.887 -11.948 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.539 -12.900 -10.682 1.00 0.00 H new ATOM 113 N GLU A 11 -1.683 -10.701 -7.260 1.00 0.00 N ATOM 114 CA GLU A 11 -2.925 -9.939 -7.169 1.00 0.00 C ATOM 115 C GLU A 11 -2.599 -8.486 -6.828 1.00 0.00 C ATOM 116 O GLU A 11 -3.136 -7.552 -7.422 1.00 0.00 O ATOM 117 CB GLU A 11 -3.874 -10.554 -6.123 1.00 0.00 C ATOM 118 CG GLU A 11 -5.288 -10.773 -6.678 1.00 0.00 C ATOM 119 CD GLU A 11 -5.324 -11.869 -7.732 1.00 0.00 C ATOM 120 OE1 GLU A 11 -5.106 -13.038 -7.358 1.00 0.00 O ATOM 121 OE2 GLU A 11 -5.534 -11.523 -8.916 1.00 0.00 O ATOM 0 H GLU A 11 -1.615 -11.467 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.438 -9.973 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.468 -11.507 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.925 -9.900 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.961 -11.033 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.656 -9.842 -7.110 1.00 0.00 H new ATOM 128 N ILE A 12 -1.688 -8.313 -5.869 1.00 0.00 N ATOM 129 CA ILE A 12 -1.192 -7.009 -5.469 1.00 0.00 C ATOM 130 C ILE A 12 -0.751 -6.224 -6.716 1.00 0.00 C ATOM 131 O ILE A 12 -1.333 -5.189 -7.023 1.00 0.00 O ATOM 132 CB ILE A 12 -0.079 -7.212 -4.423 1.00 0.00 C ATOM 133 CG1 ILE A 12 -0.607 -7.845 -3.121 1.00 0.00 C ATOM 134 CG2 ILE A 12 0.689 -5.929 -4.115 1.00 0.00 C ATOM 135 CD1 ILE A 12 -1.314 -6.849 -2.201 1.00 0.00 C ATOM 0 H ILE A 12 -1.274 -9.086 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.967 -6.406 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 12 0.621 -7.911 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.298 -8.649 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.226 -8.297 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.459 -6.135 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.155 -5.556 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.002 -5.178 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.659 -7.364 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.620 -6.057 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.168 -6.415 -2.722 1.00 0.00 H new ATOM 147 N GLN A 13 0.246 -6.727 -7.450 1.00 0.00 N ATOM 148 CA GLN A 13 0.805 -6.129 -8.656 1.00 0.00 C ATOM 149 C GLN A 13 -0.269 -5.758 -9.682 1.00 0.00 C ATOM 150 O GLN A 13 -0.169 -4.697 -10.297 1.00 0.00 O ATOM 151 CB GLN A 13 1.864 -7.053 -9.279 1.00 0.00 C ATOM 152 CG GLN A 13 2.764 -6.273 -10.251 1.00 0.00 C ATOM 153 CD GLN A 13 3.550 -7.191 -11.184 1.00 0.00 C ATOM 154 OE1 GLN A 13 2.962 -7.954 -11.942 1.00 0.00 O ATOM 155 NE2 GLN A 13 4.877 -7.099 -11.178 1.00 0.00 N ATOM 0 H GLN A 13 0.704 -7.604 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 13 1.285 -5.198 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.472 -7.500 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.374 -7.871 -9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.151 -5.596 -10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.460 -5.657 -9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.341 -6.456 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.431 -7.672 -11.815 1.00 0.00 H new ATOM 164 N LYS A 14 -1.277 -6.615 -9.900 1.00 0.00 N ATOM 165 CA LYS A 14 -2.390 -6.252 -10.779 1.00 0.00 C ATOM 166 C LYS A 14 -3.037 -4.950 -10.296 1.00 0.00 C ATOM 167 O LYS A 14 -3.324 -4.049 -11.085 1.00 0.00 O ATOM 168 CB LYS A 14 -3.465 -7.348 -10.819 1.00 0.00 C ATOM 169 CG LYS A 14 -2.999 -8.661 -11.452 1.00 0.00 C ATOM 170 CD LYS A 14 -4.102 -9.719 -11.287 1.00 0.00 C ATOM 171 CE LYS A 14 -3.586 -11.098 -11.723 1.00 0.00 C ATOM 172 NZ LYS A 14 -4.341 -12.215 -11.121 1.00 0.00 N ATOM 0 H LYS A 14 -1.342 -7.546 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.982 -6.126 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.802 -7.548 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.327 -6.976 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.777 -8.511 -12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.078 -9.001 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.427 -9.757 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.972 -9.443 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.641 -11.173 -12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.535 -11.189 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.676 -12.913 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.949 -11.852 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.931 -12.668 -11.849 1.00 0.00 H new ATOM 186 N HIS A 15 -3.306 -4.875 -8.993 1.00 0.00 N ATOM 187 CA HIS A 15 -4.091 -3.812 -8.390 1.00 0.00 C ATOM 188 C HIS A 15 -3.216 -2.572 -8.178 1.00 0.00 C ATOM 189 O HIS A 15 -2.989 -2.145 -7.044 1.00 0.00 O ATOM 190 CB HIS A 15 -4.717 -4.349 -7.093 1.00 0.00 C ATOM 191 CG HIS A 15 -5.638 -5.540 -7.280 1.00 0.00 C ATOM 192 ND1 HIS A 15 -6.259 -6.238 -6.272 1.00 0.00 N ATOM 193 CD2 HIS A 15 -6.025 -6.127 -8.459 1.00 0.00 C ATOM 194 CE1 HIS A 15 -7.011 -7.201 -6.828 1.00 0.00 C ATOM 195 NE2 HIS A 15 -6.904 -7.171 -8.164 1.00 0.00 N ATOM 0 H HIS A 15 -2.976 -5.566 -8.320 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.904 -3.498 -9.045 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.917 -4.630 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.277 -3.545 -6.616 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -6.165 -6.056 -5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.704 -5.831 -9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.618 -7.903 -6.276 1.00 0.00 H new ATOM 203 N LYS A 16 -2.744 -1.982 -9.284 1.00 0.00 N ATOM 204 CA LYS A 16 -1.949 -0.780 -9.289 1.00 0.00 C ATOM 205 C LYS A 16 -2.895 0.394 -9.210 1.00 0.00 C ATOM 206 O LYS A 16 -2.726 1.242 -8.343 1.00 0.00 O ATOM 207 CB LYS A 16 -1.114 -0.698 -10.574 1.00 0.00 C ATOM 208 CG LYS A 16 0.255 -1.334 -10.341 1.00 0.00 C ATOM 209 CD LYS A 16 0.993 -1.526 -11.666 1.00 0.00 C ATOM 210 CE LYS A 16 2.422 -2.000 -11.375 1.00 0.00 C ATOM 211 NZ LYS A 16 3.182 -2.257 -12.614 1.00 0.00 N ATOM 0 H LYS A 16 -2.918 -2.350 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.262 -0.777 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.629 -1.209 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.995 0.343 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.847 -0.703 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.135 -2.296 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.472 -2.257 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.013 -0.591 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.940 -1.247 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.387 -2.910 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.142 -2.575 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.702 -2.994 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.238 -1.383 -13.175 1.00 0.00 H new ATOM 225 N ASP A 17 -3.838 0.495 -10.146 1.00 0.00 N ATOM 226 CA ASP A 17 -4.499 1.759 -10.362 1.00 0.00 C ATOM 227 C ASP A 17 -5.771 1.605 -11.187 1.00 0.00 C ATOM 228 O ASP A 17 -5.853 0.751 -12.064 1.00 0.00 O ATOM 229 CB ASP A 17 -3.494 2.706 -11.022 1.00 0.00 C ATOM 230 CG ASP A 17 -3.207 2.437 -12.492 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.843 1.291 -12.823 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.240 3.431 -13.254 1.00 0.00 O ATOM 0 H ASP A 17 -4.148 -0.268 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.824 2.175 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.864 3.726 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.555 2.653 -10.471 1.00 0.00 H new ATOM 237 N SER A 18 -6.764 2.448 -10.881 1.00 0.00 N ATOM 238 CA SER A 18 -8.070 2.499 -11.496 1.00 0.00 C ATOM 239 C SER A 18 -8.894 1.374 -10.893 1.00 0.00 C ATOM 240 O SER A 18 -8.793 0.223 -11.308 1.00 0.00 O ATOM 241 CB SER A 18 -8.011 2.463 -13.030 1.00 0.00 C ATOM 242 OG SER A 18 -9.240 2.929 -13.554 1.00 0.00 O ATOM 0 H SER A 18 -6.657 3.151 -10.150 1.00 0.00 H new ATOM 0 HA SER A 18 -8.549 3.455 -11.285 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.190 3.084 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.817 1.447 -13.375 1.00 0.00 H new ATOM 0 HG SER A 18 -9.207 2.909 -14.533 1.00 0.00 H new ATOM 248 N LYS A 19 -9.669 1.706 -9.856 1.00 0.00 N ATOM 249 CA LYS A 19 -10.695 0.840 -9.291 1.00 0.00 C ATOM 250 C LYS A 19 -10.125 -0.280 -8.406 1.00 0.00 C ATOM 251 O LYS A 19 -10.891 -0.986 -7.748 1.00 0.00 O ATOM 252 CB LYS A 19 -11.579 0.317 -10.430 1.00 0.00 C ATOM 253 CG LYS A 19 -12.959 -0.215 -10.014 1.00 0.00 C ATOM 254 CD LYS A 19 -13.864 0.861 -9.385 1.00 0.00 C ATOM 255 CE LYS A 19 -13.976 0.774 -7.852 1.00 0.00 C ATOM 256 NZ LYS A 19 -14.656 -0.459 -7.403 1.00 0.00 N ATOM 0 H LYS A 19 -9.595 2.605 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.310 1.426 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.723 1.121 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.043 -0.481 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.458 -0.633 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.827 -1.030 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.481 1.845 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.862 0.778 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.978 0.814 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.522 1.642 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.933 -0.359 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.504 -0.619 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.010 -1.268 -7.503 1.00 0.00 H new ATOM 270 N SER A 20 -8.801 -0.461 -8.381 1.00 0.00 N ATOM 271 CA SER A 20 -8.081 -1.405 -7.539 1.00 0.00 C ATOM 272 C SER A 20 -6.643 -0.900 -7.418 1.00 0.00 C ATOM 273 O SER A 20 -5.862 -1.080 -8.348 1.00 0.00 O ATOM 274 CB SER A 20 -8.127 -2.799 -8.175 1.00 0.00 C ATOM 275 OG SER A 20 -9.433 -3.335 -8.090 1.00 0.00 O ATOM 0 H SER A 20 -8.176 0.078 -8.981 1.00 0.00 H new ATOM 0 HA SER A 20 -8.531 -1.480 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.818 -2.740 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.422 -3.460 -7.671 1.00 0.00 H new ATOM 0 HG SER A 20 -10.064 -2.624 -7.852 1.00 0.00 H new ATOM 281 N THR A 21 -6.310 -0.243 -6.302 1.00 0.00 N ATOM 282 CA THR A 21 -5.064 0.477 -6.130 1.00 0.00 C ATOM 283 C THR A 21 -4.589 0.116 -4.732 1.00 0.00 C ATOM 284 O THR A 21 -4.926 0.811 -3.776 1.00 0.00 O ATOM 285 CB THR A 21 -5.353 1.981 -6.269 1.00 0.00 C ATOM 286 OG1 THR A 21 -6.106 2.255 -7.433 1.00 0.00 O ATOM 287 CG2 THR A 21 -4.108 2.868 -6.172 1.00 0.00 C ATOM 0 H THR A 21 -6.917 -0.202 -5.483 1.00 0.00 H new ATOM 0 HA THR A 21 -4.302 0.224 -6.867 1.00 0.00 H new ATOM 0 HB THR A 21 -5.958 2.246 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.049 2.369 -7.193 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.397 3.913 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.631 2.721 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.409 2.601 -6.964 1.00 0.00 H new ATOM 295 N TRP A 22 -3.931 -1.033 -4.587 1.00 0.00 N ATOM 296 CA TRP A 22 -3.583 -1.569 -3.279 1.00 0.00 C ATOM 297 C TRP A 22 -2.110 -1.287 -2.985 1.00 0.00 C ATOM 298 O TRP A 22 -1.337 -1.035 -3.907 1.00 0.00 O ATOM 299 CB TRP A 22 -3.907 -3.065 -3.213 1.00 0.00 C ATOM 300 CG TRP A 22 -5.329 -3.516 -3.405 1.00 0.00 C ATOM 301 CD1 TRP A 22 -6.405 -2.743 -3.678 1.00 0.00 C ATOM 302 CD2 TRP A 22 -5.849 -4.877 -3.307 1.00 0.00 C ATOM 303 NE1 TRP A 22 -7.545 -3.516 -3.719 1.00 0.00 N ATOM 304 CE2 TRP A 22 -7.263 -4.844 -3.494 1.00 0.00 C ATOM 305 CE3 TRP A 22 -5.266 -6.144 -3.091 1.00 0.00 C ATOM 306 CZ2 TRP A 22 -8.056 -6.000 -3.447 1.00 0.00 C ATOM 307 CZ3 TRP A 22 -6.047 -7.313 -3.066 1.00 0.00 C ATOM 308 CH2 TRP A 22 -7.441 -7.243 -3.229 1.00 0.00 C ATOM 0 H TRP A 22 -3.627 -1.613 -5.369 1.00 0.00 H new ATOM 0 HA TRP A 22 -4.179 -1.077 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.299 -3.566 -3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.575 -3.430 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.375 -1.676 -3.840 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.481 -3.150 -3.894 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.199 -6.217 -2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.126 -5.935 -3.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.572 -8.272 -2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.037 -8.142 -3.187 1.00 0.00 H new ATOM 319 N VAL A 23 -1.716 -1.307 -1.710 1.00 0.00 N ATOM 320 CA VAL A 23 -0.361 -0.988 -1.281 1.00 0.00 C ATOM 321 C VAL A 23 0.003 -1.960 -0.163 1.00 0.00 C ATOM 322 O VAL A 23 -0.858 -2.217 0.679 1.00 0.00 O ATOM 323 CB VAL A 23 -0.306 0.474 -0.791 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.436 1.466 -1.953 1.00 0.00 C ATOM 325 CG2 VAL A 23 -1.395 0.821 0.238 1.00 0.00 C ATOM 0 H VAL A 23 -2.340 -1.549 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 23 0.350 -1.087 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 23 0.669 0.562 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.393 2.485 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.380 1.310 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.388 1.310 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.294 1.864 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.378 0.664 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.286 0.181 1.113 1.00 0.00 H new ATOM 335 N ILE A 24 1.227 -2.512 -0.130 1.00 0.00 N ATOM 336 CA ILE A 24 1.633 -3.313 1.016 1.00 0.00 C ATOM 337 C ILE A 24 2.310 -2.364 2.003 1.00 0.00 C ATOM 338 O ILE A 24 3.486 -2.047 1.815 1.00 0.00 O ATOM 339 CB ILE A 24 2.609 -4.428 0.602 1.00 0.00 C ATOM 340 CG1 ILE A 24 2.083 -5.304 -0.545 1.00 0.00 C ATOM 341 CG2 ILE A 24 2.916 -5.286 1.841 1.00 0.00 C ATOM 342 CD1 ILE A 24 3.231 -6.039 -1.249 1.00 0.00 C ATOM 0 H ILE A 24 1.928 -2.418 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 24 0.765 -3.799 1.462 1.00 0.00 H new ATOM 0 HB ILE A 24 3.515 -3.958 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.368 -6.028 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.548 -4.684 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.607 -6.084 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.367 -4.662 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.991 -5.721 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.830 -6.652 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.932 -5.312 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.748 -6.677 -0.532 1.00 0.00 H new ATOM 354 N LEU A 25 1.596 -1.907 3.035 1.00 0.00 N ATOM 355 CA LEU A 25 2.116 -0.971 4.024 1.00 0.00 C ATOM 356 C LEU A 25 2.362 -1.651 5.369 1.00 0.00 C ATOM 357 O LEU A 25 1.424 -1.970 6.093 1.00 0.00 O ATOM 358 CB LEU A 25 1.193 0.244 4.167 1.00 0.00 C ATOM 359 CG LEU A 25 1.106 1.110 2.896 1.00 0.00 C ATOM 360 CD1 LEU A 25 0.455 2.464 3.192 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.478 1.383 2.291 1.00 0.00 C ATOM 0 H LEU A 25 0.629 -2.183 3.206 1.00 0.00 H new ATOM 0 HA LEU A 25 3.082 -0.614 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.193 -0.100 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.546 0.862 4.993 1.00 0.00 H new ATOM 0 HG LEU A 25 0.502 0.540 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.408 3.053 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.553 2.307 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.047 2.997 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.366 1.997 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.098 1.909 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.953 0.439 2.025 1.00 0.00 H new ATOM 373 N HIS A 26 3.641 -1.855 5.698 1.00 0.00 N ATOM 374 CA HIS A 26 4.112 -2.446 6.941 1.00 0.00 C ATOM 375 C HIS A 26 3.492 -3.824 7.118 1.00 0.00 C ATOM 376 O HIS A 26 2.955 -4.170 8.168 1.00 0.00 O ATOM 377 CB HIS A 26 3.902 -1.478 8.116 1.00 0.00 C ATOM 378 CG HIS A 26 4.851 -1.708 9.265 1.00 0.00 C ATOM 379 ND1 HIS A 26 6.049 -1.056 9.464 1.00 0.00 N ATOM 380 CD2 HIS A 26 4.678 -2.580 10.308 1.00 0.00 C ATOM 381 CE1 HIS A 26 6.584 -1.533 10.599 1.00 0.00 C ATOM 382 NE2 HIS A 26 5.785 -2.459 11.155 1.00 0.00 N ATOM 0 H HIS A 26 4.405 -1.599 5.073 1.00 0.00 H new ATOM 0 HA HIS A 26 5.189 -2.608 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.019 -0.455 7.758 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.878 -1.574 8.477 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.455 -0.342 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.837 -3.242 10.451 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.531 -1.215 11.010 1.00 0.00 H new ATOM 390 N HIS A 27 3.599 -4.602 6.040 1.00 0.00 N ATOM 391 CA HIS A 27 2.991 -5.922 5.925 1.00 0.00 C ATOM 392 C HIS A 27 1.498 -5.859 6.260 1.00 0.00 C ATOM 393 O HIS A 27 1.029 -6.469 7.220 1.00 0.00 O ATOM 394 CB HIS A 27 3.729 -6.959 6.784 1.00 0.00 C ATOM 395 CG HIS A 27 5.115 -7.263 6.289 1.00 0.00 C ATOM 396 ND1 HIS A 27 6.299 -6.912 6.897 1.00 0.00 N ATOM 397 CD2 HIS A 27 5.417 -8.012 5.184 1.00 0.00 C ATOM 398 CE1 HIS A 27 7.296 -7.445 6.168 1.00 0.00 C ATOM 399 NE2 HIS A 27 6.804 -8.127 5.122 1.00 0.00 N ATOM 0 H HIS A 27 4.121 -4.324 5.209 1.00 0.00 H new ATOM 0 HA HIS A 27 3.084 -6.250 4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.789 -6.595 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.148 -7.881 6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.709 -8.436 4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.347 -7.339 6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.342 -8.632 4.418 1.00 0.00 H new ATOM 407 N LYS A 28 0.757 -5.108 5.447 1.00 0.00 N ATOM 408 CA LYS A 28 -0.668 -4.905 5.581 1.00 0.00 C ATOM 409 C LYS A 28 -1.197 -4.258 4.309 1.00 0.00 C ATOM 410 O LYS A 28 -0.704 -3.220 3.876 1.00 0.00 O ATOM 411 CB LYS A 28 -1.016 -4.159 6.881 1.00 0.00 C ATOM 412 CG LYS A 28 -1.760 -5.094 7.851 1.00 0.00 C ATOM 413 CD LYS A 28 -1.329 -4.911 9.308 1.00 0.00 C ATOM 414 CE LYS A 28 -1.999 -6.013 10.161 1.00 0.00 C ATOM 415 NZ LYS A 28 -1.027 -6.771 10.974 1.00 0.00 N ATOM 0 H LYS A 28 1.155 -4.610 4.651 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.180 -5.862 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.105 -3.788 7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.635 -3.291 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.832 -4.914 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.587 -6.128 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.244 -4.974 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.620 -3.924 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.740 -5.558 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.533 -6.701 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.252 -7.785 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.068 -6.613 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.076 -6.450 11.962 1.00 0.00 H new ATOM 429 N VAL A 29 -2.152 -4.932 3.671 1.00 0.00 N ATOM 430 CA VAL A 29 -2.751 -4.503 2.430 1.00 0.00 C ATOM 431 C VAL A 29 -3.885 -3.556 2.779 1.00 0.00 C ATOM 432 O VAL A 29 -4.830 -3.946 3.473 1.00 0.00 O ATOM 433 CB VAL A 29 -3.262 -5.692 1.605 1.00 0.00 C ATOM 434 CG1 VAL A 29 -3.556 -5.231 0.176 1.00 0.00 C ATOM 435 CG2 VAL A 29 -2.245 -6.828 1.556 1.00 0.00 C ATOM 0 H VAL A 29 -2.533 -5.812 4.020 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.007 -4.001 1.812 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.167 -6.063 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.919 -6.075 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.315 -4.449 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.644 -4.841 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.646 -7.650 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.321 -6.470 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.041 -7.177 2.568 1.00 0.00 H new ATOM 445 N TYR A 30 -3.798 -2.330 2.272 1.00 0.00 N ATOM 446 CA TYR A 30 -4.902 -1.415 2.209 1.00 0.00 C ATOM 447 C TYR A 30 -5.168 -1.324 0.724 1.00 0.00 C ATOM 448 O TYR A 30 -4.230 -1.178 -0.065 1.00 0.00 O ATOM 449 CB TYR A 30 -4.540 -0.031 2.761 1.00 0.00 C ATOM 450 CG TYR A 30 -3.778 -0.001 4.071 1.00 0.00 C ATOM 451 CD1 TYR A 30 -3.978 -0.981 5.058 1.00 0.00 C ATOM 452 CD2 TYR A 30 -2.803 0.989 4.267 1.00 0.00 C ATOM 453 CE1 TYR A 30 -3.181 -0.990 6.214 1.00 0.00 C ATOM 454 CE2 TYR A 30 -1.977 0.948 5.403 1.00 0.00 C ATOM 455 CZ TYR A 30 -2.192 -0.017 6.396 1.00 0.00 C ATOM 456 OH TYR A 30 -1.513 0.045 7.576 1.00 0.00 O ATOM 0 H TYR A 30 -2.933 -1.949 1.888 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.753 -1.749 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.947 0.491 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.462 0.536 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.746 -1.729 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.687 1.783 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.332 -1.751 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.174 1.662 5.511 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.282 0.977 7.772 1.00 0.00 H new ATOM 466 N ASP A 31 -6.439 -1.414 0.373 1.00 0.00 N ATOM 467 CA ASP A 31 -6.893 -0.764 -0.844 1.00 0.00 C ATOM 468 C ASP A 31 -6.883 0.741 -0.588 1.00 0.00 C ATOM 469 O ASP A 31 -7.164 1.185 0.525 1.00 0.00 O ATOM 470 CB ASP A 31 -8.275 -1.261 -1.289 1.00 0.00 C ATOM 471 CG ASP A 31 -9.410 -0.472 -0.656 1.00 0.00 C ATOM 472 OD1 ASP A 31 -9.781 0.548 -1.279 1.00 0.00 O ATOM 473 OD2 ASP A 31 -9.869 -0.906 0.421 1.00 0.00 O ATOM 0 H ASP A 31 -7.157 -1.915 0.896 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.223 -1.011 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.350 -1.192 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.380 -2.314 -1.029 1.00 0.00 H new ATOM 478 N LEU A 32 -6.530 1.525 -1.604 1.00 0.00 N ATOM 479 CA LEU A 32 -6.735 2.957 -1.582 1.00 0.00 C ATOM 480 C LEU A 32 -7.204 3.485 -2.940 1.00 0.00 C ATOM 481 O LEU A 32 -6.936 4.631 -3.305 1.00 0.00 O ATOM 482 CB LEU A 32 -5.518 3.645 -0.944 1.00 0.00 C ATOM 483 CG LEU A 32 -4.137 3.266 -1.494 1.00 0.00 C ATOM 484 CD1 LEU A 32 -3.849 3.941 -2.834 1.00 0.00 C ATOM 485 CD2 LEU A 32 -3.106 3.722 -0.464 1.00 0.00 C ATOM 0 H LEU A 32 -6.096 1.179 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.570 3.220 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.642 4.722 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.528 3.429 0.124 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.097 2.190 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.861 3.644 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.600 3.637 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.880 5.024 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.105 3.471 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.183 4.800 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.293 3.220 0.485 1.00 0.00 H new ATOM 497 N THR A 33 -7.986 2.660 -3.650 1.00 0.00 N ATOM 498 CA THR A 33 -8.712 3.016 -4.878 1.00 0.00 C ATOM 499 C THR A 33 -9.813 4.078 -4.671 1.00 0.00 C ATOM 500 O THR A 33 -10.966 3.867 -5.050 1.00 0.00 O ATOM 501 CB THR A 33 -9.260 1.741 -5.547 1.00 0.00 C ATOM 502 OG1 THR A 33 -9.992 2.074 -6.703 1.00 0.00 O ATOM 503 CG2 THR A 33 -10.136 0.873 -4.634 1.00 0.00 C ATOM 0 H THR A 33 -8.136 1.689 -3.375 1.00 0.00 H new ATOM 0 HA THR A 33 -7.994 3.492 -5.546 1.00 0.00 H new ATOM 0 HB THR A 33 -8.382 1.145 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.645 2.772 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.479 -0.003 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.555 0.553 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.997 1.451 -4.299 1.00 0.00 H new ATOM 511 N LYS A 34 -9.455 5.250 -4.149 1.00 0.00 N ATOM 512 CA LYS A 34 -10.329 6.408 -3.992 1.00 0.00 C ATOM 513 C LYS A 34 -9.463 7.560 -3.490 1.00 0.00 C ATOM 514 O LYS A 34 -9.453 8.651 -4.060 1.00 0.00 O ATOM 515 CB LYS A 34 -11.465 6.091 -2.998 1.00 0.00 C ATOM 516 CG LYS A 34 -12.463 7.232 -2.727 1.00 0.00 C ATOM 517 CD LYS A 34 -13.611 7.330 -3.753 1.00 0.00 C ATOM 518 CE LYS A 34 -13.313 8.151 -5.018 1.00 0.00 C ATOM 519 NZ LYS A 34 -13.016 9.566 -4.723 1.00 0.00 N ATOM 0 H LYS A 34 -8.509 5.424 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.799 6.675 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.020 5.231 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.018 5.793 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.890 7.097 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.921 8.178 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.889 6.320 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.479 7.765 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.466 7.708 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.169 8.096 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.906 10.091 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.797 9.977 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.135 9.629 -4.174 1.00 0.00 H new ATOM 533 N PHE A 35 -8.716 7.265 -2.424 1.00 0.00 N ATOM 534 CA PHE A 35 -7.828 8.175 -1.723 1.00 0.00 C ATOM 535 C PHE A 35 -6.791 8.815 -2.658 1.00 0.00 C ATOM 536 O PHE A 35 -6.326 9.923 -2.401 1.00 0.00 O ATOM 537 CB PHE A 35 -7.168 7.400 -0.582 1.00 0.00 C ATOM 538 CG PHE A 35 -6.328 8.253 0.333 1.00 0.00 C ATOM 539 CD1 PHE A 35 -6.954 9.168 1.198 1.00 0.00 C ATOM 540 CD2 PHE A 35 -4.925 8.217 0.240 1.00 0.00 C ATOM 541 CE1 PHE A 35 -6.186 10.112 1.896 1.00 0.00 C ATOM 542 CE2 PHE A 35 -4.156 9.127 0.979 1.00 0.00 C ATOM 543 CZ PHE A 35 -4.787 10.102 1.772 1.00 0.00 C ATOM 0 H PHE A 35 -8.720 6.333 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.404 9.009 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.943 6.909 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.543 6.614 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.026 9.144 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.442 7.491 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.669 10.844 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.078 9.079 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.195 10.844 2.287 1.00 0.00 H new ATOM 553 N LEU A 36 -6.476 8.146 -3.774 1.00 0.00 N ATOM 554 CA LEU A 36 -5.793 8.723 -4.932 1.00 0.00 C ATOM 555 C LEU A 36 -6.171 10.188 -5.184 1.00 0.00 C ATOM 556 O LEU A 36 -5.306 11.041 -5.364 1.00 0.00 O ATOM 557 CB LEU A 36 -6.123 7.880 -6.171 1.00 0.00 C ATOM 558 CG LEU A 36 -5.352 6.553 -6.224 1.00 0.00 C ATOM 559 CD1 LEU A 36 -6.012 5.627 -7.243 1.00 0.00 C ATOM 560 CD2 LEU A 36 -3.907 6.763 -6.678 1.00 0.00 C ATOM 0 H LEU A 36 -6.697 7.158 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.723 8.710 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.193 7.672 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.898 8.459 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.364 6.127 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.467 4.684 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.044 5.438 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.996 6.098 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.391 5.803 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.899 7.206 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.400 7.429 -5.980 1.00 0.00 H new ATOM 572 N GLU A 37 -7.475 10.463 -5.208 1.00 0.00 N ATOM 573 CA GLU A 37 -8.040 11.775 -5.498 1.00 0.00 C ATOM 574 C GLU A 37 -7.858 12.749 -4.319 1.00 0.00 C ATOM 575 O GLU A 37 -7.944 13.963 -4.489 1.00 0.00 O ATOM 576 CB GLU A 37 -9.526 11.537 -5.810 1.00 0.00 C ATOM 577 CG GLU A 37 -10.214 12.681 -6.565 1.00 0.00 C ATOM 578 CD GLU A 37 -11.677 12.366 -6.866 1.00 0.00 C ATOM 579 OE1 GLU A 37 -12.147 11.303 -6.397 1.00 0.00 O ATOM 580 OE2 GLU A 37 -12.316 13.189 -7.551 1.00 0.00 O ATOM 0 H GLU A 37 -8.186 9.756 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.530 12.242 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.618 10.624 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.057 11.367 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.154 13.594 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.684 12.870 -7.498 1.00 0.00 H new ATOM 587 N GLU A 38 -7.668 12.205 -3.115 1.00 0.00 N ATOM 588 CA GLU A 38 -7.838 12.869 -1.832 1.00 0.00 C ATOM 589 C GLU A 38 -6.490 13.312 -1.248 1.00 0.00 C ATOM 590 O GLU A 38 -6.385 14.396 -0.676 1.00 0.00 O ATOM 591 CB GLU A 38 -8.546 11.858 -0.920 1.00 0.00 C ATOM 592 CG GLU A 38 -9.247 12.460 0.299 1.00 0.00 C ATOM 593 CD GLU A 38 -9.927 11.351 1.091 1.00 0.00 C ATOM 594 OE1 GLU A 38 -10.823 10.705 0.503 1.00 0.00 O ATOM 595 OE2 GLU A 38 -9.503 11.132 2.246 1.00 0.00 O ATOM 0 H GLU A 38 -7.375 11.234 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.427 13.780 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.283 11.314 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.813 11.129 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.524 12.980 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.983 13.199 -0.019 1.00 0.00 H new ATOM 602 N HIS A 39 -5.464 12.459 -1.362 1.00 0.00 N ATOM 603 CA HIS A 39 -4.125 12.718 -0.835 1.00 0.00 C ATOM 604 C HIS A 39 -3.620 14.099 -1.276 1.00 0.00 C ATOM 605 O HIS A 39 -3.765 14.437 -2.451 1.00 0.00 O ATOM 606 CB HIS A 39 -3.173 11.637 -1.363 1.00 0.00 C ATOM 607 CG HIS A 39 -1.791 11.628 -0.747 1.00 0.00 C ATOM 608 ND1 HIS A 39 -0.622 11.779 -1.449 1.00 0.00 N ATOM 609 CD2 HIS A 39 -1.449 11.319 0.548 1.00 0.00 C ATOM 610 CE1 HIS A 39 0.390 11.603 -0.582 1.00 0.00 C ATOM 611 NE2 HIS A 39 -0.053 11.291 0.647 1.00 0.00 N ATOM 0 H HIS A 39 -5.546 11.557 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.162 12.698 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.631 10.662 -1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.070 11.763 -2.441 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.537 11.986 -2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.142 11.129 1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.434 11.701 -0.842 1.00 0.00 H new ATOM 619 N PRO A 40 -2.975 14.892 -0.403 1.00 0.00 N ATOM 620 CA PRO A 40 -2.430 16.187 -0.790 1.00 0.00 C ATOM 621 C PRO A 40 -1.364 16.097 -1.869 1.00 0.00 C ATOM 622 O PRO A 40 -1.175 17.041 -2.632 1.00 0.00 O ATOM 623 CB PRO A 40 -1.938 16.848 0.501 1.00 0.00 C ATOM 624 CG PRO A 40 -1.657 15.656 1.418 1.00 0.00 C ATOM 625 CD PRO A 40 -2.732 14.648 1.010 1.00 0.00 C ATOM 0 HA PRO A 40 -3.199 16.799 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.042 17.446 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.690 17.514 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.653 15.259 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.738 15.928 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.396 13.625 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.642 14.786 1.594 1.00 0.00 H new ATOM 633 N GLY A 41 -0.702 14.951 -1.966 1.00 0.00 N ATOM 634 CA GLY A 41 0.238 14.690 -3.030 1.00 0.00 C ATOM 635 C GLY A 41 -0.391 13.985 -4.237 1.00 0.00 C ATOM 636 O GLY A 41 0.329 13.557 -5.136 1.00 0.00 O ATOM 0 H GLY A 41 -0.807 14.181 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.677 15.633 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.052 14.077 -2.644 1.00 0.00 H new ATOM 640 N GLY A 42 -1.721 13.846 -4.261 1.00 0.00 N ATOM 641 CA GLY A 42 -2.471 13.249 -5.340 1.00 0.00 C ATOM 642 C GLY A 42 -2.042 11.824 -5.651 1.00 0.00 C ATOM 643 O GLY A 42 -1.444 11.132 -4.823 1.00 0.00 O ATOM 0 H GLY A 42 -2.315 14.162 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.531 13.255 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.356 13.860 -6.235 1.00 0.00 H new ATOM 647 N GLU A 43 -2.399 11.398 -6.862 1.00 0.00 N ATOM 648 CA GLU A 43 -2.279 10.016 -7.282 1.00 0.00 C ATOM 649 C GLU A 43 -0.829 9.565 -7.422 1.00 0.00 C ATOM 650 O GLU A 43 -0.472 8.548 -6.835 1.00 0.00 O ATOM 651 CB GLU A 43 -3.106 9.704 -8.538 1.00 0.00 C ATOM 652 CG GLU A 43 -3.052 10.743 -9.669 1.00 0.00 C ATOM 653 CD GLU A 43 -3.645 10.195 -10.967 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.141 9.047 -10.937 1.00 0.00 O ATOM 655 OE2 GLU A 43 -3.578 10.930 -11.974 1.00 0.00 O ATOM 0 H GLU A 43 -2.782 12.013 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.709 9.424 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.772 8.747 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.147 9.579 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.598 11.637 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.018 11.043 -9.839 1.00 0.00 H new ATOM 662 N GLU A 44 -0.026 10.284 -8.214 1.00 0.00 N ATOM 663 CA GLU A 44 1.328 9.927 -8.640 1.00 0.00 C ATOM 664 C GLU A 44 2.068 9.050 -7.626 1.00 0.00 C ATOM 665 O GLU A 44 2.356 7.887 -7.906 1.00 0.00 O ATOM 666 CB GLU A 44 2.111 11.214 -8.940 1.00 0.00 C ATOM 667 CG GLU A 44 1.565 11.947 -10.176 1.00 0.00 C ATOM 668 CD GLU A 44 2.409 13.163 -10.551 1.00 0.00 C ATOM 669 OE1 GLU A 44 3.281 13.535 -9.736 1.00 0.00 O ATOM 670 OE2 GLU A 44 2.166 13.696 -11.654 1.00 0.00 O ATOM 0 H GLU A 44 -0.323 11.182 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 44 1.247 9.321 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.064 11.877 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.162 10.970 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.532 11.257 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.540 12.265 -9.984 1.00 0.00 H new ATOM 677 N VAL A 45 2.340 9.608 -6.445 1.00 0.00 N ATOM 678 CA VAL A 45 3.132 8.963 -5.405 1.00 0.00 C ATOM 679 C VAL A 45 2.522 7.627 -4.965 1.00 0.00 C ATOM 680 O VAL A 45 3.238 6.668 -4.690 1.00 0.00 O ATOM 681 CB VAL A 45 3.332 9.926 -4.222 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.940 11.256 -4.690 1.00 0.00 C ATOM 683 CG2 VAL A 45 2.035 10.201 -3.453 1.00 0.00 C ATOM 0 H VAL A 45 2.009 10.537 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 45 4.112 8.725 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 45 4.022 9.427 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.071 11.918 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.908 11.070 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.274 11.726 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.238 10.886 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.302 10.647 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.642 9.265 -3.057 1.00 0.00 H new ATOM 693 N LEU A 46 1.191 7.557 -4.889 1.00 0.00 N ATOM 694 CA LEU A 46 0.488 6.330 -4.552 1.00 0.00 C ATOM 695 C LEU A 46 0.656 5.372 -5.717 1.00 0.00 C ATOM 696 O LEU A 46 1.158 4.260 -5.564 1.00 0.00 O ATOM 697 CB LEU A 46 -1.002 6.614 -4.275 1.00 0.00 C ATOM 698 CG LEU A 46 -1.218 7.678 -3.184 1.00 0.00 C ATOM 699 CD1 LEU A 46 -2.629 8.251 -3.244 1.00 0.00 C ATOM 700 CD2 LEU A 46 -0.998 7.071 -1.806 1.00 0.00 C ATOM 0 H LEU A 46 0.576 8.352 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 46 0.900 5.890 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.481 6.944 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.493 5.688 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.500 8.479 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.751 9.000 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.793 8.713 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.354 7.450 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.154 7.834 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.703 6.254 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.021 6.690 -1.735 1.00 0.00 H new ATOM 712 N ARG A 47 0.236 5.836 -6.892 1.00 0.00 N ATOM 713 CA ARG A 47 0.156 5.057 -8.104 1.00 0.00 C ATOM 714 C ARG A 47 1.478 4.333 -8.360 1.00 0.00 C ATOM 715 O ARG A 47 1.503 3.116 -8.540 1.00 0.00 O ATOM 716 CB ARG A 47 -0.226 5.982 -9.268 1.00 0.00 C ATOM 717 CG ARG A 47 -0.742 5.181 -10.466 1.00 0.00 C ATOM 718 CD ARG A 47 -0.811 6.065 -11.715 1.00 0.00 C ATOM 719 NE ARG A 47 -1.394 5.316 -12.841 1.00 0.00 N ATOM 720 CZ ARG A 47 -1.017 5.351 -14.126 1.00 0.00 C ATOM 721 NH1 ARG A 47 -0.064 6.192 -14.545 1.00 0.00 N ATOM 722 NH2 ARG A 47 -1.616 4.520 -14.981 1.00 0.00 N ATOM 0 H ARG A 47 -0.067 6.802 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.613 4.291 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.992 6.685 -8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.641 6.571 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.086 4.330 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.730 4.779 -10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.412 6.951 -11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.188 6.412 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.175 4.699 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.389 6.821 -13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.210 6.204 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.339 3.882 -14.650 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.351 4.523 -15.966 1.00 0.00 H new ATOM 736 N GLU A 48 2.586 5.077 -8.344 1.00 0.00 N ATOM 737 CA GLU A 48 3.896 4.535 -8.663 1.00 0.00 C ATOM 738 C GLU A 48 4.371 3.473 -7.674 1.00 0.00 C ATOM 739 O GLU A 48 5.273 2.708 -8.016 1.00 0.00 O ATOM 740 CB GLU A 48 4.909 5.672 -8.850 1.00 0.00 C ATOM 741 CG GLU A 48 5.336 6.334 -7.532 1.00 0.00 C ATOM 742 CD GLU A 48 6.305 7.491 -7.752 1.00 0.00 C ATOM 743 OE1 GLU A 48 6.855 7.573 -8.872 1.00 0.00 O ATOM 744 OE2 GLU A 48 6.488 8.264 -6.788 1.00 0.00 O ATOM 0 H GLU A 48 2.594 6.070 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 48 3.807 4.003 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.793 5.281 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.477 6.429 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.452 6.698 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.804 5.589 -6.889 1.00 0.00 H new ATOM 751 N GLN A 49 3.767 3.393 -6.481 1.00 0.00 N ATOM 752 CA GLN A 49 4.135 2.396 -5.489 1.00 0.00 C ATOM 753 C GLN A 49 3.005 1.379 -5.305 1.00 0.00 C ATOM 754 O GLN A 49 3.085 0.506 -4.439 1.00 0.00 O ATOM 755 CB GLN A 49 4.508 3.101 -4.172 1.00 0.00 C ATOM 756 CG GLN A 49 5.660 2.383 -3.463 1.00 0.00 C ATOM 757 CD GLN A 49 6.997 2.598 -4.165 1.00 0.00 C ATOM 758 OE1 GLN A 49 7.373 3.730 -4.447 1.00 0.00 O ATOM 759 NE2 GLN A 49 7.745 1.533 -4.434 1.00 0.00 N ATOM 0 H GLN A 49 3.016 4.017 -6.186 1.00 0.00 H new ATOM 0 HA GLN A 49 5.007 1.838 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.792 4.133 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.638 3.134 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.730 2.740 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.445 1.315 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.411 0.601 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.653 1.648 -4.884 1.00 0.00 H new ATOM 768 N ALA A 50 1.944 1.490 -6.107 1.00 0.00 N ATOM 769 CA ALA A 50 0.768 0.664 -5.963 1.00 0.00 C ATOM 770 C ALA A 50 1.017 -0.713 -6.570 1.00 0.00 C ATOM 771 O ALA A 50 1.852 -0.876 -7.460 1.00 0.00 O ATOM 772 CB ALA A 50 -0.412 1.385 -6.594 1.00 0.00 C ATOM 0 H ALA A 50 1.887 2.161 -6.873 1.00 0.00 H new ATOM 0 HA ALA A 50 0.536 0.499 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.308 0.773 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.566 2.340 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.209 1.560 -7.651 1.00 0.00 H new ATOM 778 N GLY A 51 0.330 -1.721 -6.036 1.00 0.00 N ATOM 779 CA GLY A 51 0.695 -3.116 -6.198 1.00 0.00 C ATOM 780 C GLY A 51 2.187 -3.317 -5.927 1.00 0.00 C ATOM 781 O GLY A 51 2.860 -4.030 -6.669 1.00 0.00 O ATOM 0 H GLY A 51 -0.508 -1.583 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.110 -3.732 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.456 -3.445 -7.209 1.00 0.00 H new ATOM 785 N GLY A 52 2.699 -2.681 -4.868 1.00 0.00 N ATOM 786 CA GLY A 52 4.110 -2.683 -4.536 1.00 0.00 C ATOM 787 C GLY A 52 4.324 -2.677 -3.026 1.00 0.00 C ATOM 788 O GLY A 52 3.395 -2.471 -2.234 1.00 0.00 O ATOM 0 H GLY A 52 2.129 -2.145 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.587 -3.562 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.591 -1.810 -4.977 1.00 0.00 H new ATOM 792 N ASP A 53 5.582 -2.894 -2.643 1.00 0.00 N ATOM 793 CA ASP A 53 6.109 -2.949 -1.291 1.00 0.00 C ATOM 794 C ASP A 53 6.267 -1.540 -0.736 1.00 0.00 C ATOM 795 O ASP A 53 7.324 -1.121 -0.268 1.00 0.00 O ATOM 796 CB ASP A 53 7.434 -3.738 -1.311 1.00 0.00 C ATOM 797 CG ASP A 53 8.487 -3.201 -2.285 1.00 0.00 C ATOM 798 OD1 ASP A 53 8.075 -2.647 -3.332 1.00 0.00 O ATOM 799 OD2 ASP A 53 9.684 -3.427 -2.007 1.00 0.00 O ATOM 0 H ASP A 53 6.316 -3.048 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 53 5.420 -3.468 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.856 -3.738 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.219 -4.776 -1.566 1.00 0.00 H new ATOM 804 N ALA A 54 5.157 -0.807 -0.760 1.00 0.00 N ATOM 805 CA ALA A 54 5.141 0.603 -0.449 1.00 0.00 C ATOM 806 C ALA A 54 5.481 0.905 1.005 1.00 0.00 C ATOM 807 O ALA A 54 5.837 2.046 1.270 1.00 0.00 O ATOM 808 CB ALA A 54 3.795 1.192 -0.849 1.00 0.00 C ATOM 0 H ALA A 54 4.241 -1.186 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 54 5.932 1.079 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.780 2.257 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.641 1.053 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.000 0.689 -0.299 1.00 0.00 H new ATOM 814 N THR A 55 5.389 -0.082 1.913 1.00 0.00 N ATOM 815 CA THR A 55 5.868 -0.069 3.301 1.00 0.00 C ATOM 816 C THR A 55 6.885 1.050 3.521 1.00 0.00 C ATOM 817 O THR A 55 6.679 1.972 4.309 1.00 0.00 O ATOM 818 CB THR A 55 6.464 -1.452 3.628 1.00 0.00 C ATOM 819 OG1 THR A 55 5.419 -2.407 3.670 1.00 0.00 O ATOM 820 CG2 THR A 55 7.174 -1.482 4.986 1.00 0.00 C ATOM 0 H THR A 55 4.947 -0.970 1.677 1.00 0.00 H new ATOM 0 HA THR A 55 5.036 0.130 3.976 1.00 0.00 H new ATOM 0 HB THR A 55 7.195 -1.677 2.851 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.731 -2.169 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.575 -2.480 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.989 -0.758 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.464 -1.229 5.773 1.00 0.00 H new ATOM 828 N GLU A 56 7.965 0.962 2.758 1.00 0.00 N ATOM 829 CA GLU A 56 9.153 1.766 2.915 1.00 0.00 C ATOM 830 C GLU A 56 8.903 3.182 2.391 1.00 0.00 C ATOM 831 O GLU A 56 8.929 4.137 3.162 1.00 0.00 O ATOM 832 CB GLU A 56 10.285 1.046 2.181 1.00 0.00 C ATOM 833 CG GLU A 56 10.239 -0.470 2.462 1.00 0.00 C ATOM 834 CD GLU A 56 11.466 -1.228 1.959 1.00 0.00 C ATOM 835 OE1 GLU A 56 12.273 -0.609 1.232 1.00 0.00 O ATOM 836 OE2 GLU A 56 11.555 -2.428 2.299 1.00 0.00 O ATOM 0 H GLU A 56 8.033 0.301 1.984 1.00 0.00 H new ATOM 0 HA GLU A 56 9.430 1.882 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.202 1.225 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.246 1.451 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.141 -0.628 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.348 -0.890 1.995 1.00 0.00 H new ATOM 843 N ASN A 57 8.611 3.320 1.090 1.00 0.00 N ATOM 844 CA ASN A 57 8.407 4.627 0.460 1.00 0.00 C ATOM 845 C ASN A 57 7.184 5.361 1.025 1.00 0.00 C ATOM 846 O ASN A 57 6.997 6.544 0.778 1.00 0.00 O ATOM 847 CB ASN A 57 8.338 4.508 -1.071 1.00 0.00 C ATOM 848 CG ASN A 57 8.546 5.860 -1.765 1.00 0.00 C ATOM 849 OD1 ASN A 57 9.180 6.761 -1.226 1.00 0.00 O ATOM 850 ND2 ASN A 57 8.054 6.014 -2.990 1.00 0.00 N ATOM 0 H ASN A 57 8.511 2.532 0.450 1.00 0.00 H new ATOM 0 HA ASN A 57 9.278 5.235 0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.097 3.804 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.370 4.098 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.202 6.889 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.528 5.257 -3.427 1.00 0.00 H new ATOM 857 N PHE A 58 6.345 4.658 1.787 1.00 0.00 N ATOM 858 CA PHE A 58 5.356 5.233 2.677 1.00 0.00 C ATOM 859 C PHE A 58 6.048 5.785 3.921 1.00 0.00 C ATOM 860 O PHE A 58 6.080 7.003 4.104 1.00 0.00 O ATOM 861 CB PHE A 58 4.315 4.159 3.013 1.00 0.00 C ATOM 862 CG PHE A 58 3.487 4.340 4.271 1.00 0.00 C ATOM 863 CD1 PHE A 58 2.452 5.292 4.324 1.00 0.00 C ATOM 864 CD2 PHE A 58 3.654 3.430 5.334 1.00 0.00 C ATOM 865 CE1 PHE A 58 1.565 5.304 5.416 1.00 0.00 C ATOM 866 CE2 PHE A 58 2.756 3.426 6.411 1.00 0.00 C ATOM 867 CZ PHE A 58 1.687 4.334 6.429 1.00 0.00 C ATOM 0 H PHE A 58 6.342 3.638 1.796 1.00 0.00 H new ATOM 0 HA PHE A 58 4.839 6.066 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.629 4.083 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.834 3.203 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.339 6.012 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.478 2.732 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.792 6.056 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.887 2.727 7.223 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.955 4.289 7.222 1.00 0.00 H new ATOM 877 N GLU A 59 6.547 4.934 4.825 1.00 0.00 N ATOM 878 CA GLU A 59 6.822 5.463 6.162 1.00 0.00 C ATOM 879 C GLU A 59 8.133 6.250 6.225 1.00 0.00 C ATOM 880 O GLU A 59 8.269 7.158 7.043 1.00 0.00 O ATOM 881 CB GLU A 59 6.560 4.447 7.279 1.00 0.00 C ATOM 882 CG GLU A 59 7.462 3.218 7.413 1.00 0.00 C ATOM 883 CD GLU A 59 6.862 2.245 8.426 1.00 0.00 C ATOM 884 OE1 GLU A 59 5.947 2.654 9.181 1.00 0.00 O ATOM 885 OE2 GLU A 59 7.315 1.085 8.485 1.00 0.00 O ATOM 0 H GLU A 59 6.756 3.947 4.674 1.00 0.00 H new ATOM 0 HA GLU A 59 6.076 6.228 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.601 4.986 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.537 4.089 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.571 2.728 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.459 3.520 7.732 1.00 0.00 H new ATOM 892 N ASP A 60 9.055 5.979 5.298 1.00 0.00 N ATOM 893 CA ASP A 60 10.293 6.732 5.152 1.00 0.00 C ATOM 894 C ASP A 60 10.073 8.085 4.467 1.00 0.00 C ATOM 895 O ASP A 60 11.001 8.885 4.386 1.00 0.00 O ATOM 896 CB ASP A 60 11.295 5.887 4.359 1.00 0.00 C ATOM 897 CG ASP A 60 12.710 6.454 4.397 1.00 0.00 C ATOM 898 OD1 ASP A 60 13.231 6.600 5.524 1.00 0.00 O ATOM 899 OD2 ASP A 60 13.261 6.685 3.299 1.00 0.00 O ATOM 0 H ASP A 60 8.957 5.221 4.622 1.00 0.00 H new ATOM 0 HA ASP A 60 10.684 6.946 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.304 4.873 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.964 5.818 3.323 1.00 0.00 H new ATOM 904 N VAL A 61 8.855 8.415 4.006 1.00 0.00 N ATOM 905 CA VAL A 61 8.657 9.622 3.204 1.00 0.00 C ATOM 906 C VAL A 61 8.608 10.875 4.093 1.00 0.00 C ATOM 907 O VAL A 61 8.307 11.970 3.625 1.00 0.00 O ATOM 908 CB VAL A 61 7.428 9.431 2.285 1.00 0.00 C ATOM 909 CG1 VAL A 61 6.144 10.136 2.751 1.00 0.00 C ATOM 910 CG2 VAL A 61 7.793 9.758 0.822 1.00 0.00 C ATOM 0 H VAL A 61 8.009 7.870 4.174 1.00 0.00 H new ATOM 0 HA VAL A 61 9.511 9.787 2.547 1.00 0.00 H new ATOM 0 HB VAL A 61 7.167 8.375 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.342 9.940 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.858 9.759 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.320 11.210 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.917 9.618 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.129 10.793 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.591 9.094 0.489 1.00 0.00 H new ATOM 920 N GLY A 62 8.894 10.716 5.389 1.00 0.00 N ATOM 921 CA GLY A 62 8.713 11.760 6.379 1.00 0.00 C ATOM 922 C GLY A 62 7.229 11.962 6.677 1.00 0.00 C ATOM 923 O GLY A 62 6.806 13.079 6.965 1.00 0.00 O ATOM 0 H GLY A 62 9.261 9.846 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.241 11.496 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.148 12.692 6.017 1.00 0.00 H new ATOM 927 N HIS A 63 6.434 10.885 6.629 1.00 0.00 N ATOM 928 CA HIS A 63 5.030 10.968 6.998 1.00 0.00 C ATOM 929 C HIS A 63 4.902 11.305 8.485 1.00 0.00 C ATOM 930 O HIS A 63 5.595 10.716 9.315 1.00 0.00 O ATOM 931 CB HIS A 63 4.288 9.656 6.724 1.00 0.00 C ATOM 932 CG HIS A 63 3.625 9.567 5.373 1.00 0.00 C ATOM 933 ND1 HIS A 63 3.819 8.535 4.499 1.00 0.00 N ATOM 934 CD2 HIS A 63 2.693 10.415 4.816 1.00 0.00 C ATOM 935 CE1 HIS A 63 3.044 8.760 3.435 1.00 0.00 C ATOM 936 NE2 HIS A 63 2.324 9.894 3.566 1.00 0.00 N ATOM 0 H HIS A 63 6.743 9.957 6.340 1.00 0.00 H new ATOM 0 HA HIS A 63 4.580 11.752 6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.993 8.831 6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.529 9.518 7.494 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.442 7.739 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.313 11.322 5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.999 8.112 2.572 1.00 0.00 H new ATOM 944 N SER A 64 3.970 12.191 8.836 1.00 0.00 N ATOM 945 CA SER A 64 3.590 12.398 10.225 1.00 0.00 C ATOM 946 C SER A 64 2.851 11.154 10.719 1.00 0.00 C ATOM 947 O SER A 64 2.135 10.518 9.945 1.00 0.00 O ATOM 948 CB SER A 64 2.710 13.647 10.333 1.00 0.00 C ATOM 949 OG SER A 64 3.317 14.693 9.598 1.00 0.00 O ATOM 0 H SER A 64 3.465 12.777 8.171 1.00 0.00 H new ATOM 0 HA SER A 64 4.472 12.554 10.846 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.712 13.441 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.592 13.937 11.377 1.00 0.00 H new ATOM 0 HG SER A 64 2.763 15.499 9.657 1.00 0.00 H new ATOM 955 N THR A 65 3.012 10.802 11.998 1.00 0.00 N ATOM 956 CA THR A 65 2.389 9.646 12.623 1.00 0.00 C ATOM 957 C THR A 65 0.910 9.510 12.247 1.00 0.00 C ATOM 958 O THR A 65 0.436 8.405 12.002 1.00 0.00 O ATOM 959 CB THR A 65 2.586 9.778 14.137 1.00 0.00 C ATOM 960 OG1 THR A 65 3.908 10.222 14.383 1.00 0.00 O ATOM 961 CG2 THR A 65 2.358 8.448 14.854 1.00 0.00 C ATOM 0 H THR A 65 3.598 11.334 12.641 1.00 0.00 H new ATOM 0 HA THR A 65 2.860 8.732 12.262 1.00 0.00 H new ATOM 0 HB THR A 65 1.857 10.492 14.520 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.898 11.180 14.589 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.507 8.582 15.925 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.340 8.105 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.064 7.707 14.480 1.00 0.00 H new ATOM 969 N ASP A 66 0.201 10.633 12.156 1.00 0.00 N ATOM 970 CA ASP A 66 -1.180 10.769 11.710 1.00 0.00 C ATOM 971 C ASP A 66 -1.450 9.922 10.459 1.00 0.00 C ATOM 972 O ASP A 66 -2.381 9.113 10.418 1.00 0.00 O ATOM 973 CB ASP A 66 -1.457 12.259 11.403 1.00 0.00 C ATOM 974 CG ASP A 66 -0.845 13.229 12.410 1.00 0.00 C ATOM 975 OD1 ASP A 66 0.408 13.240 12.470 1.00 0.00 O ATOM 976 OD2 ASP A 66 -1.624 13.924 13.093 1.00 0.00 O ATOM 0 H ASP A 66 0.607 11.534 12.410 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.841 10.414 12.500 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.071 12.492 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.535 12.418 11.371 1.00 0.00 H new ATOM 981 N ALA A 67 -0.602 10.106 9.442 1.00 0.00 N ATOM 982 CA ALA A 67 -0.693 9.432 8.153 1.00 0.00 C ATOM 983 C ALA A 67 -0.485 7.923 8.302 1.00 0.00 C ATOM 984 O ALA A 67 -0.958 7.135 7.486 1.00 0.00 O ATOM 985 CB ALA A 67 0.347 10.032 7.204 1.00 0.00 C ATOM 0 H ALA A 67 0.188 10.748 9.500 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.691 9.581 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.287 9.534 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.152 11.097 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.344 9.893 7.622 1.00 0.00 H new ATOM 991 N ARG A 68 0.219 7.508 9.356 1.00 0.00 N ATOM 992 CA ARG A 68 0.361 6.112 9.724 1.00 0.00 C ATOM 993 C ARG A 68 -0.863 5.632 10.504 1.00 0.00 C ATOM 994 O ARG A 68 -1.328 4.516 10.282 1.00 0.00 O ATOM 995 CB ARG A 68 1.653 5.938 10.538 1.00 0.00 C ATOM 996 CG ARG A 68 2.332 4.577 10.339 1.00 0.00 C ATOM 997 CD ARG A 68 3.314 4.348 11.499 1.00 0.00 C ATOM 998 NE ARG A 68 4.337 3.333 11.187 1.00 0.00 N ATOM 999 CZ ARG A 68 5.036 2.621 12.086 1.00 0.00 C ATOM 1000 NH1 ARG A 68 4.759 2.699 13.395 1.00 0.00 N ATOM 1001 NH2 ARG A 68 6.028 1.839 11.662 1.00 0.00 N ATOM 0 H ARG A 68 0.710 8.146 9.982 1.00 0.00 H new ATOM 0 HA ARG A 68 0.427 5.500 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.353 6.727 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.425 6.069 11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.587 3.782 10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.860 4.553 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.805 5.289 11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.758 4.038 12.384 1.00 0.00 H new ATOM 0 HE ARG A 68 4.531 3.156 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.007 3.306 13.722 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.300 2.151 14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.247 1.787 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.568 1.292 12.332 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.393 6.434 11.430 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.411 5.932 12.339 1.00 0.00 C ATOM 1017 C GLU A 69 -3.698 5.604 11.591 1.00 0.00 C ATOM 1018 O GLU A 69 -4.256 4.525 11.778 1.00 0.00 O ATOM 1019 CB GLU A 69 -2.657 6.859 13.538 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.984 6.031 14.797 1.00 0.00 C ATOM 1021 CD GLU A 69 -4.332 6.381 15.396 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -4.435 7.484 15.967 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -5.227 5.513 15.266 1.00 0.00 O ATOM 0 H GLU A 69 -1.138 7.412 11.565 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.026 5.004 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.775 7.474 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.480 7.539 13.318 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.968 4.971 14.543 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.207 6.192 15.544 1.00 0.00 H new ATOM 1030 N LEU A 70 -4.149 6.488 10.692 1.00 0.00 N ATOM 1031 CA LEU A 70 -5.311 6.164 9.862 1.00 0.00 C ATOM 1032 C LEU A 70 -5.057 4.901 9.036 1.00 0.00 C ATOM 1033 O LEU A 70 -5.992 4.189 8.680 1.00 0.00 O ATOM 1034 CB LEU A 70 -5.798 7.380 9.047 1.00 0.00 C ATOM 1035 CG LEU A 70 -5.366 7.565 7.576 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -3.908 7.191 7.305 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -6.299 6.856 6.582 1.00 0.00 C ATOM 0 H LEU A 70 -3.740 7.407 10.525 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.150 5.924 10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.888 7.361 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.488 8.274 9.588 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.452 8.639 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.682 7.348 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.253 7.815 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.748 6.143 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.943 7.023 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.309 5.786 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.308 7.255 6.683 1.00 0.00 H new ATOM 1049 N SER A 71 -3.787 4.594 8.757 1.00 0.00 N ATOM 1050 CA SER A 71 -3.424 3.523 7.850 1.00 0.00 C ATOM 1051 C SER A 71 -3.997 2.196 8.366 1.00 0.00 C ATOM 1052 O SER A 71 -4.590 1.430 7.608 1.00 0.00 O ATOM 1053 CB SER A 71 -1.917 3.548 7.551 1.00 0.00 C ATOM 1054 OG SER A 71 -1.168 2.660 8.359 1.00 0.00 O ATOM 0 H SER A 71 -2.988 5.086 9.158 1.00 0.00 H new ATOM 0 HA SER A 71 -3.880 3.663 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.758 3.295 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.543 4.562 7.695 1.00 0.00 H new ATOM 0 HG SER A 71 -1.021 3.064 9.240 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.925 1.985 9.687 1.00 0.00 N ATOM 1061 CA LYS A 72 -4.462 0.794 10.340 1.00 0.00 C ATOM 1062 C LYS A 72 -5.973 0.854 10.589 1.00 0.00 C ATOM 1063 O LYS A 72 -6.484 0.057 11.371 1.00 0.00 O ATOM 1064 CB LYS A 72 -3.627 0.395 11.580 1.00 0.00 C ATOM 1065 CG LYS A 72 -3.255 1.470 12.622 1.00 0.00 C ATOM 1066 CD LYS A 72 -4.186 1.618 13.842 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.581 2.199 13.548 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.011 3.174 14.574 1.00 0.00 N ATOM 0 H LYS A 72 -3.489 2.643 10.333 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.354 -0.026 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.172 -0.391 12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.698 -0.047 11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.251 1.254 12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.209 2.433 12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.310 0.638 14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.694 2.256 14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.572 2.683 12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.306 1.387 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.948 3.550 14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.062 2.704 15.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.325 3.955 14.620 1.00 0.00 H new ATOM 1082 N THR A 73 -6.702 1.763 9.932 1.00 0.00 N ATOM 1083 CA THR A 73 -8.161 1.774 9.967 1.00 0.00 C ATOM 1084 C THR A 73 -8.729 0.835 8.892 1.00 0.00 C ATOM 1085 O THR A 73 -9.764 0.212 9.111 1.00 0.00 O ATOM 1086 CB THR A 73 -8.691 3.220 9.863 1.00 0.00 C ATOM 1087 OG1 THR A 73 -9.856 3.364 10.649 1.00 0.00 O ATOM 1088 CG2 THR A 73 -9.012 3.675 8.434 1.00 0.00 C ATOM 0 H THR A 73 -6.295 2.507 9.365 1.00 0.00 H new ATOM 0 HA THR A 73 -8.508 1.389 10.926 1.00 0.00 H new ATOM 0 HB THR A 73 -7.880 3.852 10.225 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.186 4.284 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.378 4.702 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.110 3.622 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.776 3.025 8.008 1.00 0.00 H new ATOM 1096 N TYR A 74 -8.075 0.752 7.724 1.00 0.00 N ATOM 1097 CA TYR A 74 -8.628 0.067 6.559 1.00 0.00 C ATOM 1098 C TYR A 74 -8.436 -1.451 6.665 1.00 0.00 C ATOM 1099 O TYR A 74 -9.345 -2.154 7.092 1.00 0.00 O ATOM 1100 CB TYR A 74 -8.027 0.649 5.266 1.00 0.00 C ATOM 1101 CG TYR A 74 -8.213 2.143 5.060 1.00 0.00 C ATOM 1102 CD1 TYR A 74 -9.497 2.719 5.121 1.00 0.00 C ATOM 1103 CD2 TYR A 74 -7.109 2.942 4.702 1.00 0.00 C ATOM 1104 CE1 TYR A 74 -9.667 4.090 4.864 1.00 0.00 C ATOM 1105 CE2 TYR A 74 -7.288 4.304 4.403 1.00 0.00 C ATOM 1106 CZ TYR A 74 -8.567 4.879 4.489 1.00 0.00 C ATOM 1107 OH TYR A 74 -8.753 6.198 4.200 1.00 0.00 O ATOM 0 H TYR A 74 -7.152 1.158 7.566 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.704 0.239 6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.959 0.431 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.468 0.127 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.352 2.106 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.122 2.507 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.645 4.538 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.443 4.908 4.107 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.894 6.604 3.959 1.00 0.00 H new ATOM 1117 N ILE A 75 -7.256 -1.943 6.268 1.00 0.00 N ATOM 1118 CA ILE A 75 -6.835 -3.337 6.311 1.00 0.00 C ATOM 1119 C ILE A 75 -7.800 -4.270 5.576 1.00 0.00 C ATOM 1120 O ILE A 75 -8.770 -4.763 6.146 1.00 0.00 O ATOM 1121 CB ILE A 75 -6.554 -3.781 7.762 1.00 0.00 C ATOM 1122 CG1 ILE A 75 -5.424 -2.941 8.382 1.00 0.00 C ATOM 1123 CG2 ILE A 75 -6.160 -5.270 7.808 1.00 0.00 C ATOM 1124 CD1 ILE A 75 -5.334 -3.066 9.906 1.00 0.00 C ATOM 0 H ILE A 75 -6.530 -1.337 5.886 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.896 -3.413 5.763 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.468 -3.631 8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.474 -3.246 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.575 -1.894 8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.966 -5.563 8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.973 -5.874 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.262 -5.427 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.516 -2.447 10.274 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.270 -2.734 10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.152 -4.106 10.176 1.00 0.00 H new ATOM 1136 N ILE A 76 -7.472 -4.590 4.321 1.00 0.00 N ATOM 1137 CA ILE A 76 -8.103 -5.705 3.629 1.00 0.00 C ATOM 1138 C ILE A 76 -7.303 -6.998 3.839 1.00 0.00 C ATOM 1139 O ILE A 76 -7.858 -8.081 3.667 1.00 0.00 O ATOM 1140 CB ILE A 76 -8.365 -5.375 2.149 1.00 0.00 C ATOM 1141 CG1 ILE A 76 -7.073 -5.111 1.364 1.00 0.00 C ATOM 1142 CG2 ILE A 76 -9.317 -4.172 2.047 1.00 0.00 C ATOM 1143 CD1 ILE A 76 -7.296 -5.222 -0.143 1.00 0.00 C ATOM 0 H ILE A 76 -6.774 -4.091 3.769 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.086 -5.878 4.067 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.830 -6.250 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.698 -4.116 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.308 -5.823 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.500 -3.941 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.261 -4.413 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.865 -3.308 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.359 -5.029 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.646 -6.225 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.042 -4.492 -0.455 1.00 0.00 H new ATOM 1155 N GLY A 77 -6.015 -6.919 4.211 1.00 0.00 N ATOM 1156 CA GLY A 77 -5.225 -8.124 4.436 1.00 0.00 C ATOM 1157 C GLY A 77 -3.837 -7.854 5.026 1.00 0.00 C ATOM 1158 O GLY A 77 -3.510 -6.705 5.312 1.00 0.00 O ATOM 0 H GLY A 77 -5.511 -6.044 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.772 -8.786 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.110 -8.654 3.490 1.00 0.00 H new ATOM 1162 N GLU A 78 -3.027 -8.912 5.179 1.00 0.00 N ATOM 1163 CA GLU A 78 -1.601 -8.873 5.507 1.00 0.00 C ATOM 1164 C GLU A 78 -0.762 -9.157 4.264 1.00 0.00 C ATOM 1165 O GLU A 78 -0.327 -8.201 3.630 1.00 0.00 O ATOM 1166 CB GLU A 78 -1.281 -9.802 6.689 1.00 0.00 C ATOM 1167 CG GLU A 78 -1.467 -9.017 8.000 1.00 0.00 C ATOM 1168 CD GLU A 78 -1.261 -9.858 9.253 1.00 0.00 C ATOM 1169 OE1 GLU A 78 -1.119 -11.090 9.116 1.00 0.00 O ATOM 1170 OE2 GLU A 78 -1.250 -9.230 10.338 1.00 0.00 O ATOM 0 H GLU A 78 -3.371 -9.866 5.071 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.335 -7.869 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.937 -10.672 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.259 -10.172 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.767 -8.182 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.471 -8.592 8.019 1.00 0.00 H new ATOM 1177 N LEU A 79 -0.534 -10.438 3.936 1.00 0.00 N ATOM 1178 CA LEU A 79 0.112 -10.965 2.743 1.00 0.00 C ATOM 1179 C LEU A 79 0.390 -12.454 2.920 1.00 0.00 C ATOM 1180 O LEU A 79 0.390 -12.962 4.040 1.00 0.00 O ATOM 1181 CB LEU A 79 1.425 -10.245 2.407 1.00 0.00 C ATOM 1182 CG LEU A 79 1.471 -9.828 0.932 1.00 0.00 C ATOM 1183 CD1 LEU A 79 0.260 -8.993 0.476 1.00 0.00 C ATOM 1184 CD2 LEU A 79 2.744 -9.012 0.784 1.00 0.00 C ATOM 0 H LEU A 79 -0.826 -11.191 4.559 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.575 -10.797 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.531 -9.364 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.268 -10.900 2.628 1.00 0.00 H new ATOM 0 HG LEU A 79 1.447 -10.719 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.369 -8.739 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.654 -9.570 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.206 -8.078 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.844 -8.678 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.699 -8.145 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.603 -9.627 1.052 1.00 0.00 H new ATOM 1196 N HIS A 80 0.628 -13.144 1.806 1.00 0.00 N ATOM 1197 CA HIS A 80 1.082 -14.524 1.795 1.00 0.00 C ATOM 1198 C HIS A 80 2.403 -14.664 2.569 1.00 0.00 C ATOM 1199 O HIS A 80 3.298 -13.828 2.404 1.00 0.00 O ATOM 1200 CB HIS A 80 1.261 -14.980 0.341 1.00 0.00 C ATOM 1201 CG HIS A 80 1.605 -16.444 0.223 1.00 0.00 C ATOM 1202 ND1 HIS A 80 2.854 -17.005 0.383 1.00 0.00 N ATOM 1203 CD2 HIS A 80 0.704 -17.468 0.106 1.00 0.00 C ATOM 1204 CE1 HIS A 80 2.702 -18.340 0.365 1.00 0.00 C ATOM 1205 NE2 HIS A 80 1.410 -18.670 0.204 1.00 0.00 N ATOM 0 H HIS A 80 0.507 -12.749 0.873 1.00 0.00 H new ATOM 0 HA HIS A 80 0.339 -15.153 2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.343 -14.782 -0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.048 -14.388 -0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.362 -17.365 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.509 -19.051 0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.021 -19.612 0.162 1.00 0.00 H new ATOM 1213 N PRO A 81 2.580 -15.729 3.371 1.00 0.00 N ATOM 1214 CA PRO A 81 3.828 -16.003 4.070 1.00 0.00 C ATOM 1215 C PRO A 81 4.905 -16.540 3.110 1.00 0.00 C ATOM 1216 O PRO A 81 5.392 -17.656 3.263 1.00 0.00 O ATOM 1217 CB PRO A 81 3.449 -16.993 5.176 1.00 0.00 C ATOM 1218 CG PRO A 81 2.293 -17.775 4.555 1.00 0.00 C ATOM 1219 CD PRO A 81 1.564 -16.704 3.744 1.00 0.00 C ATOM 0 HA PRO A 81 4.278 -15.106 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.283 -17.645 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.146 -16.481 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.648 -18.590 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.648 -18.217 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.093 -17.135 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 81 0.773 -16.239 4.332 1.00 0.00 H new ATOM 1227 N ASP A 82 5.287 -15.710 2.137 1.00 0.00 N ATOM 1228 CA ASP A 82 6.481 -15.833 1.302 1.00 0.00 C ATOM 1229 C ASP A 82 6.883 -14.414 0.915 1.00 0.00 C ATOM 1230 O ASP A 82 7.987 -13.951 1.212 1.00 0.00 O ATOM 1231 CB ASP A 82 6.223 -16.671 0.044 1.00 0.00 C ATOM 1232 CG ASP A 82 7.498 -16.766 -0.792 1.00 0.00 C ATOM 1233 OD1 ASP A 82 7.796 -15.786 -1.511 1.00 0.00 O ATOM 1234 OD2 ASP A 82 8.165 -17.816 -0.689 1.00 0.00 O ATOM 0 H ASP A 82 4.737 -14.885 1.898 1.00 0.00 H new ATOM 0 HA ASP A 82 7.270 -16.345 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.887 -17.669 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.425 -16.220 -0.546 1.00 0.00 H new ATOM 1239 N ASP A 83 5.904 -13.690 0.360 1.00 0.00 N ATOM 1240 CA ASP A 83 6.011 -12.279 0.027 1.00 0.00 C ATOM 1241 C ASP A 83 6.495 -11.466 1.226 1.00 0.00 C ATOM 1242 O ASP A 83 7.230 -10.497 1.069 1.00 0.00 O ATOM 1243 CB ASP A 83 4.687 -11.764 -0.548 1.00 0.00 C ATOM 1244 CG ASP A 83 4.400 -12.341 -1.929 1.00 0.00 C ATOM 1245 OD1 ASP A 83 5.377 -12.522 -2.688 1.00 0.00 O ATOM 1246 OD2 ASP A 83 3.206 -12.571 -2.222 1.00 0.00 O ATOM 0 H ASP A 83 4.994 -14.087 0.127 1.00 0.00 H new ATOM 0 HA ASP A 83 6.766 -12.155 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.873 -12.023 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.717 -10.676 -0.609 1.00 0.00 H new ATOM 1251 N ARG A 84 6.154 -11.926 2.430 1.00 0.00 N ATOM 1252 CA ARG A 84 6.710 -11.506 3.712 1.00 0.00 C ATOM 1253 C ARG A 84 8.226 -11.263 3.736 1.00 0.00 C ATOM 1254 O ARG A 84 8.682 -10.519 4.599 1.00 0.00 O ATOM 1255 CB ARG A 84 6.291 -12.550 4.757 1.00 0.00 C ATOM 1256 CG ARG A 84 6.436 -12.082 6.211 1.00 0.00 C ATOM 1257 CD ARG A 84 5.841 -13.163 7.124 1.00 0.00 C ATOM 1258 NE ARG A 84 5.739 -12.727 8.526 1.00 0.00 N ATOM 1259 CZ ARG A 84 6.619 -13.002 9.503 1.00 0.00 C ATOM 1260 NH1 ARG A 84 7.815 -13.522 9.204 1.00 0.00 N ATOM 1261 NH2 ARG A 84 6.292 -12.761 10.778 1.00 0.00 N ATOM 0 H ARG A 84 5.439 -12.645 2.540 1.00 0.00 H new ATOM 0 HA ARG A 84 6.304 -10.519 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.252 -12.828 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.891 -13.449 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.485 -11.915 6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.920 -11.133 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.851 -13.436 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.459 -14.059 7.070 1.00 0.00 H new ATOM 0 HE ARG A 84 4.926 -12.165 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.061 -13.711 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.481 -13.730 9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.378 -12.370 11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.957 -12.968 11.523 1.00 0.00 H new ATOM 1275 N SER A 85 9.017 -11.889 2.854 1.00 0.00 N ATOM 1276 CA SER A 85 10.459 -11.658 2.797 1.00 0.00 C ATOM 1277 C SER A 85 10.909 -10.901 1.538 1.00 0.00 C ATOM 1278 O SER A 85 12.113 -10.757 1.324 1.00 0.00 O ATOM 1279 CB SER A 85 11.204 -12.991 2.940 1.00 0.00 C ATOM 1280 OG SER A 85 12.590 -12.766 3.115 1.00 0.00 O ATOM 0 H SER A 85 8.676 -12.562 2.168 1.00 0.00 H new ATOM 0 HA SER A 85 10.712 -11.007 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.809 -13.546 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.038 -13.604 2.054 1.00 0.00 H new ATOM 0 HG SER A 85 12.868 -12.000 2.571 1.00 0.00 H new ATOM 1286 N LYS A 86 9.980 -10.431 0.702 1.00 0.00 N ATOM 1287 CA LYS A 86 10.266 -9.567 -0.434 1.00 0.00 C ATOM 1288 C LYS A 86 10.330 -8.117 0.060 1.00 0.00 C ATOM 1289 O LYS A 86 11.259 -7.385 -0.278 1.00 0.00 O ATOM 1290 CB LYS A 86 9.172 -9.716 -1.502 1.00 0.00 C ATOM 1291 CG LYS A 86 8.876 -11.155 -1.948 1.00 0.00 C ATOM 1292 CD LYS A 86 9.881 -11.763 -2.929 1.00 0.00 C ATOM 1293 CE LYS A 86 9.231 -13.036 -3.500 1.00 0.00 C ATOM 1294 NZ LYS A 86 10.147 -13.817 -4.351 1.00 0.00 N ATOM 0 H LYS A 86 8.988 -10.648 0.803 1.00 0.00 H new ATOM 0 HA LYS A 86 11.219 -9.848 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.251 -9.276 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.462 -9.135 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.831 -11.789 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.888 -11.178 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.117 -11.059 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.818 -12.000 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.886 -13.662 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.351 -12.759 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.655 -14.662 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.458 -13.233 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.975 -14.108 -3.794 1.00 0.00 H new ATOM 1308 N ILE A 87 9.338 -7.715 0.868 1.00 0.00 N ATOM 1309 CA ILE A 87 9.281 -6.394 1.484 1.00 0.00 C ATOM 1310 C ILE A 87 10.492 -6.274 2.412 1.00 0.00 C ATOM 1311 O ILE A 87 10.495 -6.847 3.501 1.00 0.00 O ATOM 1312 CB ILE A 87 7.966 -6.183 2.268 1.00 0.00 C ATOM 1313 CG1 ILE A 87 6.684 -6.273 1.420 1.00 0.00 C ATOM 1314 CG2 ILE A 87 7.970 -4.792 2.924 1.00 0.00 C ATOM 1315 CD1 ILE A 87 6.248 -7.702 1.103 1.00 0.00 C ATOM 0 H ILE A 87 8.546 -8.310 1.111 1.00 0.00 H new ATOM 0 HA ILE A 87 9.304 -5.624 0.713 1.00 0.00 H new ATOM 0 HB ILE A 87 7.942 -6.997 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.876 -5.766 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.841 -5.736 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.041 -4.647 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.815 -4.715 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.057 -4.026 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.338 -7.680 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.037 -8.208 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.057 -8.239 2.032 1.00 0.00 H new ATOM 1327 N ALA A 88 11.526 -5.569 1.958 1.00 0.00 N ATOM 1328 CA ALA A 88 12.817 -5.453 2.616 1.00 0.00 C ATOM 1329 C ALA A 88 13.752 -4.588 1.776 1.00 0.00 C ATOM 1330 O ALA A 88 14.566 -3.839 2.315 1.00 0.00 O ATOM 1331 CB ALA A 88 13.444 -6.842 2.768 1.00 0.00 C ATOM 0 H ALA A 88 11.481 -5.043 1.085 1.00 0.00 H new ATOM 0 HA ALA A 88 12.672 -4.998 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.412 -6.752 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.788 -7.474 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.579 -7.290 1.784 1.00 0.00 H new TER 1337 ALA A 88 HETATM 1338 FE HEM A 95A 1.062 10.675 2.202 1.00 0.00 FE HETATM 1339 CHA HEM A 95A 2.588 13.812 2.577 1.00 0.00 C HETATM 1340 CHB HEM A 95A -1.377 11.650 4.497 1.00 0.00 C HETATM 1341 CHC HEM A 95A -0.404 7.546 1.953 1.00 0.00 C HETATM 1342 CHD HEM A 95A 3.466 9.813 -0.158 1.00 0.00 C HETATM 1343 NA HEM A 95A 0.674 12.412 3.332 1.00 0.00 N HETATM 1344 C1A HEM A 95A 1.440 13.546 3.324 1.00 0.00 C HETATM 1345 C2A HEM A 95A 0.834 14.488 4.242 1.00 0.00 C HETATM 1346 C3A HEM A 95A -0.266 13.875 4.796 1.00 0.00 C HETATM 1347 C4A HEM A 95A -0.373 12.565 4.197 1.00 0.00 C HETATM 1348 CMA HEM A 95A -1.141 14.440 5.893 1.00 0.00 C HETATM 1349 CAA HEM A 95A 1.294 15.900 4.534 1.00 0.00 C HETATM 1350 CBA HEM A 95A 2.264 15.991 5.717 1.00 0.00 C HETATM 1351 CGA HEM A 95A 2.545 17.435 6.123 1.00 0.00 C HETATM 1352 O1A HEM A 95A 3.273 17.607 7.124 1.00 0.00 O HETATM 1353 O2A HEM A 95A 2.019 18.342 5.441 1.00 0.00 O HETATM 1354 NB HEM A 95A -0.574 9.764 3.076 1.00 0.00 N HETATM 1355 C1B HEM A 95A -1.438 10.372 3.956 1.00 0.00 C HETATM 1356 C2B HEM A 95A -2.516 9.455 4.224 1.00 0.00 C HETATM 1357 C3B HEM A 95A -2.198 8.287 3.574 1.00 0.00 C HETATM 1358 C4B HEM A 95A -0.991 8.487 2.806 1.00 0.00 C HETATM 1359 CMB HEM A 95A -3.783 9.791 4.976 1.00 0.00 C HETATM 1360 CAB HEM A 95A -3.108 7.082 3.469 1.00 0.00 C HETATM 1361 CBB HEM A 95A -2.757 5.904 4.029 1.00 0.00 C HETATM 1362 NC HEM A 95A 1.431 9.004 1.071 1.00 0.00 N HETATM 1363 C1C HEM A 95A 0.727 7.819 1.170 1.00 0.00 C HETATM 1364 C2C HEM A 95A 1.401 6.853 0.332 1.00 0.00 C HETATM 1365 C3C HEM A 95A 2.427 7.522 -0.287 1.00 0.00 C HETATM 1366 C4C HEM A 95A 2.484 8.876 0.197 1.00 0.00 C HETATM 1367 CMC HEM A 95A 1.075 5.389 0.179 1.00 0.00 C HETATM 1368 CAC HEM A 95A 3.365 6.923 -1.312 1.00 0.00 C HETATM 1369 CBC HEM A 95A 4.214 5.923 -0.994 1.00 0.00 C HETATM 1370 ND HEM A 95A 2.741 11.655 1.347 1.00 0.00 N HETATM 1371 C1D HEM A 95A 3.556 11.102 0.399 1.00 0.00 C HETATM 1372 C2D HEM A 95A 4.525 12.113 0.027 1.00 0.00 C HETATM 1373 C3D HEM A 95A 4.295 13.224 0.814 1.00 0.00 C HETATM 1374 C4D HEM A 95A 3.147 12.926 1.646 1.00 0.00 C HETATM 1375 CMD HEM A 95A 5.546 12.021 -1.081 1.00 0.00 C HETATM 1376 CAD HEM A 95A 5.108 14.512 0.843 1.00 0.00 C HETATM 1377 CBD HEM A 95A 5.581 15.071 -0.507 1.00 0.00 C HETATM 1378 CGD HEM A 95A 6.065 16.512 -0.378 1.00 0.00 C HETATM 1379 O1D HEM A 95A 5.849 17.272 -1.346 1.00 0.00 O HETATM 1380 O2D HEM A 95A 6.647 16.826 0.683 1.00 0.00 O HETATM 0 HMA1 HEM A 95A -0.565 15.146 6.490 1.00 0.00 H new HETATM 0 HMA2 HEM A 95A -1.494 13.629 6.530 1.00 0.00 H new HETATM 0 HMA3 HEM A 95A -1.995 14.952 5.450 1.00 0.00 H new HETATM 0 HMB1 HEM A 95A -4.601 9.173 4.605 1.00 0.00 H new HETATM 0 HMB2 HEM A 95A -4.026 10.843 4.827 1.00 0.00 H new HETATM 0 HMB3 HEM A 95A -3.637 9.599 6.039 1.00 0.00 H new HETATM 0 HMC1 HEM A 95A 1.345 5.059 -0.824 1.00 0.00 H new HETATM 0 HMC2 HEM A 95A 0.007 5.236 0.336 1.00 0.00 H new HETATM 0 HMC3 HEM A 95A 1.636 4.812 0.914 1.00 0.00 H new HETATM 0 HMD1 HEM A 95A 5.837 10.980 -1.222 1.00 0.00 H new HETATM 0 HMD2 HEM A 95A 6.424 12.611 -0.817 1.00 0.00 H new HETATM 0 HMD3 HEM A 95A 5.115 12.406 -2.005 1.00 0.00 H new HETATM 0 HBB1 HEM A 95A -3.420 5.043 3.947 1.00 0.00 H new HETATM 0 HBB2 HEM A 95A -1.811 5.815 4.563 1.00 0.00 H new HETATM 0 HBC1 HEM A 95A 4.879 5.510 -1.753 1.00 0.00 H new HETATM 0 HBC2 HEM A 95A 4.235 5.528 0.022 1.00 0.00 H new HETATM 0 HBA1 HEM A 95A 3.201 15.500 5.455 1.00 0.00 H new HETATM 0 HBA2 HEM A 95A 1.849 15.451 6.568 1.00 0.00 H new HETATM 0 HAA1 HEM A 95A 0.423 16.523 4.739 1.00 0.00 H new HETATM 0 HAA2 HEM A 95A 1.776 16.308 3.646 1.00 0.00 H new HETATM 0 HBD1 HEM A 95A 4.765 15.024 -1.228 1.00 0.00 H new HETATM 0 HBD2 HEM A 95A 6.387 14.449 -0.897 1.00 0.00 H new HETATM 0 HAD1 HEM A 95A 5.986 14.344 1.466 1.00 0.00 H new HETATM 0 HAD2 HEM A 95A 4.510 15.279 1.336 1.00 0.00 H new HETATM 0 HHA HEM A 95A 3.078 14.763 2.726 1.00 0.00 H new HETATM 0 HHB HEM A 95A -2.151 11.950 5.188 1.00 0.00 H new HETATM 0 HHC HEM A 95A -0.843 6.561 1.895 1.00 0.00 H new HETATM 0 HHD HEM A 95A 4.195 9.528 -0.902 1.00 0.00 H new HETATM 0 HAB HEM A 95A -4.055 7.166 2.937 1.00 0.00 H new HETATM 0 HAC HEM A 95A 3.355 7.308 -2.332 1.00 0.00 H new CONECT 611 1338 CONECT 936 1338 CONECT 1338 611 936 1343 1354 CONECT 1338 1362 1370 CONECT 1339 1344 1374 1381 CONECT 1340 1347 1355 1382 CONECT 1341 1358 1363 1383 CONECT 1342 1366 1371 1384 CONECT 1343 1338 1344 1347 CONECT 1344 1339 1343 1345 CONECT 1345 1344 1346 1349 CONECT 1346 1345 1347 1348 CONECT 1347 1340 1343 1346 CONECT 1348 1346 1385 1386 1387 CONECT 1349 1345 1350 1388 1389 CONECT 1350 1349 1351 1390 1391 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1338 1355 1358 CONECT 1355 1340 1354 1356 CONECT 1356 1355 1357 1359 CONECT 1357 1356 1358 1360 CONECT 1358 1341 1354 1357 CONECT 1359 1356 1392 1393 1394 CONECT 1360 1357 1361 1395 CONECT 1361 1360 1396 1397 CONECT 1362 1338 1363 1366 CONECT 1363 1341 1362 1364 CONECT 1364 1363 1365 1367 CONECT 1365 1364 1366 1368 CONECT 1366 1342 1362 1365 CONECT 1367 1364 1398 1399 1400 CONECT 1368 1365 1369 1401 CONECT 1369 1368 1402 1403 CONECT 1370 1338 1371 1374 CONECT 1371 1342 1370 1372 CONECT 1372 1371 1373 1375 CONECT 1373 1372 1374 1376 CONECT 1374 1339 1370 1373 CONECT 1375 1372 1404 1405 1406 CONECT 1376 1373 1377 1407 1408 CONECT 1377 1376 1378 1409 1410 CONECT 1378 1377 1379 1380 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1339 CONECT 1382 1340 CONECT 1383 1341 CONECT 1384 1342 CONECT 1385 1348 CONECT 1386 1348 CONECT 1387 1348 CONECT 1388 1349 CONECT 1389 1349 CONECT 1390 1350 CONECT 1391 1350 CONECT 1392 1359 CONECT 1393 1359 CONECT 1394 1359 CONECT 1395 1360 CONECT 1396 1361 CONECT 1397 1361 CONECT 1398 1367 CONECT 1399 1367 CONECT 1400 1367 CONECT 1401 1368 CONECT 1402 1369 CONECT 1403 1369 CONECT 1404 1375 CONECT 1405 1375 CONECT 1406 1375 CONECT 1407 1376 CONECT 1408 1376 CONECT 1409 1377 CONECT 1410 1377 END