USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) HEADER HYDROLASE 20-SEP-00 1FVS TITLE SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER DOMAIN TITLE 2 CCC2A IN THE APO AND CU(I) LOAD STATES COMPND MOL_ID: 1; COMPND 2 MOLECULE: COPPER-TRANSPORTING ATPASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CCC2A DOMAIN; COMPND 5 EC: 3.6.1.36; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDLHV021 KEYWDS CU(I)-CCC2A, BABBAB, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.BANCI,I.BERTINI,S.CIOFI BAFFONI,D.L.HUFFMAN,T.V.O'HALLORAN REVDAT 3 24-FEB-09 1FVS 1 VERSN REVDAT 2 01-APR-03 1FVS 1 JRNL REVDAT 1 14-MAR-01 1FVS 0 JRNL AUTH L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,D.L.HUFFMAN, JRNL AUTH 2 T.V.O'HALLORAN JRNL TITL SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER JRNL TITL 2 DOMAIN CCC2A IN THE APO AND CU(I)-LOADED STATES. JRNL REF J.BIOL.CHEM. V. 276 8415 2001 JRNL REFN ISSN 0021-9258 JRNL PMID 11083871 JRNL DOI 10.1074/JBC.M008389200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 6 REMARK 3 AUTHORS : CASE, KOLLMAN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1944 MEANINGFUL NOES REMARK 4 REMARK 4 1FVS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB011942. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.2MM CU(I)-CCC2A; 100MM REMARK 210 PHOSPHATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY 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 : XWINNMR, XEASY, DIANA, CORMA REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION REMARK 210 ANGLE DYNAMICS RESTRAINED REMARK 210 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 12 17.88 -150.50 REMARK 500 LEU A 27 -102.58 -82.11 REMARK 500 LYS A 28 -62.97 -156.67 REMARK 500 CYS A 33 113.02 -162.94 REMARK 500 ASP A 47 -83.50 -88.27 REMARK 500 ASN A 48 -48.31 -145.49 REMARK 500 ILE A 68 106.56 -55.34 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 25 0.08 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 CU A 73 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 13 SG REMARK 620 2 CYS A 16 SG 112.6 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 CU A 73 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FVQ RELATED DB: PDB REMARK 900 1FVQ CONTAINS THE SAME PROTEIN IN THE APO STATE. DBREF 1FVS A 1 72 UNP P38995 ATU2_YEAST 1 72 SEQADV 1FVS ALA A 1 UNP P38995 MET 1 EXPRESSION TAG SEQRES 1 A 72 ALA ARG GLU VAL ILE LEU ALA VAL HIS GLY MET THR CYS SEQRES 2 A 72 SER ALA CYS THR ASN THR ILE ASN THR GLN LEU ARG ALA SEQRES 3 A 72 LEU LYS GLY VAL THR LYS CYS ASP ILE SER LEU VAL THR SEQRES 4 A 72 ASN GLU CYS GLN VAL THR TYR ASP ASN GLU VAL THR ALA SEQRES 5 A 72 ASP SER ILE LYS GLU ILE ILE GLU ASP CYS GLY PHE ASP SEQRES 6 A 72 CYS GLU ILE LEU ARG ASP SER HET CU A 73 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU 2+ HELIX 1 1 CYS A 13 ALA A 26 1 14 HELIX 2 2 THR A 51 CYS A 62 1 12 SHEET 1 A 4 VAL A 30 SER A 36 0 SHEET 2 A 4 GLU A 41 TYR A 46 -1 O GLU A 41 N SER A 36 SHEET 3 A 4 ARG A 2 HIS A 9 -1 O ARG A 2 N TYR A 46 SHEET 4 A 4 ASP A 65 ARG A 70 -1 O ASP A 65 N HIS A 9 LINK CU CU A 73 SG CYS A 13 1555 1555 2.15 LINK CU CU A 73 SG CYS A 16 1555 1555 2.14 SITE *** AC1 2 CYS A 13 CYS A 16 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 170:sc= 0.347 USER MOD Set 1.2: A 39 THR OG1 : rot 176:sc= 0.937 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.022 K(o=-1.1,f=-2.5) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.08! X(o=-1.1!,f=-1.2) USER MOD Single : A 1 ALA N :NH3+ -160:sc= 1.27 (180deg=1.08) USER MOD Single : A 9 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.035) USER MOD Single : A 11 MET CE :methyl -158:sc= -0.0205 (180deg=-1.32) USER MOD Single : A 12 THR OG1 : rot 5:sc= 0.664 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 17 THR OG1 : rot -74:sc= 0.577 USER MOD Single : A 19 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 22 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 23 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.01) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.13) USER MOD Single : A 33 CYS SG : rot 45:sc= -1.92 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.14 K(o=1.1,f=-1.3) USER MOD Single : A 45 THR OG1 : rot -113:sc= 1.24 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.864 K(o=0.86,f=-0.019) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 1.11 (180deg=1.02) USER MOD Single : A 62 CYS SG : rot 66:sc= -0.154 USER MOD Single : A 66 CYS SG : rot 160:sc= -0.877 USER MOD Single : A 72 SER OG : rot -50:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.649 13.383 8.418 1.00 0.00 N ATOM 2 CA ALA A 1 -3.917 12.406 7.597 1.00 0.00 C ATOM 3 C ALA A 1 -2.475 12.215 8.029 1.00 0.00 C ATOM 4 O ALA A 1 -1.945 13.032 8.777 1.00 0.00 O ATOM 5 CB ALA A 1 -4.012 12.748 6.102 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.672 13.229 8.311 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.384 13.265 9.417 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.409 14.346 8.107 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.410 11.448 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.461 12.007 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.057 12.745 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.585 13.736 5.927 1.00 0.00 H new ATOM 12 N ARG A 2 -1.888 11.105 7.572 1.00 0.00 N ATOM 13 CA ARG A 2 -0.510 10.696 7.796 1.00 0.00 C ATOM 14 C ARG A 2 -0.146 9.660 6.744 1.00 0.00 C ATOM 15 O ARG A 2 -1.033 9.067 6.123 1.00 0.00 O ATOM 16 CB ARG A 2 -0.321 10.108 9.204 1.00 0.00 C ATOM 17 CG ARG A 2 -1.266 8.923 9.492 1.00 0.00 C ATOM 18 CD ARG A 2 -1.644 8.819 10.975 1.00 0.00 C ATOM 19 NE ARG A 2 -0.579 8.227 11.806 1.00 0.00 N ATOM 20 CZ ARG A 2 -0.661 8.099 13.142 1.00 0.00 C ATOM 21 NH1 ARG A 2 -1.667 8.685 13.804 1.00 0.00 N ATOM 22 NH2 ARG A 2 0.244 7.385 13.814 1.00 0.00 N ATOM 0 H ARG A 2 -2.399 10.431 7.002 1.00 0.00 H new ATOM 0 HA ARG A 2 0.141 11.567 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.712 9.779 9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.491 10.890 9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.172 9.032 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.787 7.996 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.881 9.813 11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.548 8.218 11.072 1.00 0.00 H new ATOM 0 HE ARG A 2 0.267 7.896 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.366 9.225 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.734 8.591 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.008 6.930 13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.172 7.295 14.827 1.00 0.00 H new ATOM 36 N GLU A 3 1.155 9.433 6.591 1.00 0.00 N ATOM 37 CA GLU A 3 1.695 8.400 5.729 1.00 0.00 C ATOM 38 C GLU A 3 1.938 7.135 6.539 1.00 0.00 C ATOM 39 O GLU A 3 2.298 7.206 7.714 1.00 0.00 O ATOM 40 CB GLU A 3 2.985 8.861 5.034 1.00 0.00 C ATOM 41 CG GLU A 3 2.726 9.621 3.727 1.00 0.00 C ATOM 42 CD GLU A 3 2.403 11.099 3.901 1.00 0.00 C ATOM 43 OE1 GLU A 3 2.600 11.624 5.018 1.00 0.00 O ATOM 44 OE2 GLU A 3 1.950 11.674 2.887 1.00 0.00 O ATOM 0 H GLU A 3 1.872 9.974 7.074 1.00 0.00 H new ATOM 0 HA GLU A 3 0.967 8.189 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.548 9.501 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.608 7.992 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.605 9.528 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.899 9.142 3.202 1.00 0.00 H new ATOM 51 N VAL A 4 1.767 5.980 5.894 1.00 0.00 N ATOM 52 CA VAL A 4 2.172 4.694 6.433 1.00 0.00 C ATOM 53 C VAL A 4 2.925 3.915 5.369 1.00 0.00 C ATOM 54 O VAL A 4 2.568 3.991 4.190 1.00 0.00 O ATOM 55 CB VAL A 4 0.985 3.934 7.028 1.00 0.00 C ATOM 56 CG1 VAL A 4 -0.103 3.678 5.986 1.00 0.00 C ATOM 57 CG2 VAL A 4 1.413 2.611 7.674 1.00 0.00 C ATOM 0 H VAL A 4 1.337 5.918 4.971 1.00 0.00 H new ATOM 0 HA VAL A 4 2.856 4.846 7.268 1.00 0.00 H new ATOM 0 HB VAL A 4 0.573 4.575 7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.929 3.136 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.466 4.630 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.308 3.085 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.538 2.106 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.882 1.974 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.124 2.811 8.476 1.00 0.00 H new ATOM 67 N ILE A 5 3.968 3.192 5.796 1.00 0.00 N ATOM 68 CA ILE A 5 4.690 2.264 4.982 1.00 0.00 C ATOM 69 C ILE A 5 4.195 0.852 5.255 1.00 0.00 C ATOM 70 O ILE A 5 4.177 0.385 6.400 1.00 0.00 O ATOM 71 CB ILE A 5 6.191 2.274 5.282 1.00 0.00 C ATOM 72 CG1 ILE A 5 6.821 3.611 5.653 1.00 0.00 C ATOM 73 CG2 ILE A 5 6.785 1.834 3.966 1.00 0.00 C ATOM 74 CD1 ILE A 5 8.348 3.504 5.543 1.00 0.00 C ATOM 0 H ILE A 5 4.327 3.254 6.749 1.00 0.00 H new ATOM 0 HA ILE A 5 4.525 2.563 3.947 1.00 0.00 H new ATOM 0 HB ILE A 5 6.376 1.656 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.452 4.395 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.537 3.890 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.871 1.800 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.410 0.843 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.504 2.541 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.800 4.460 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.708 2.731 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.622 3.245 4.520 1.00 0.00 H new ATOM 86 N LEU A 6 3.875 0.150 4.176 1.00 0.00 N ATOM 87 CA LEU A 6 3.620 -1.262 4.192 1.00 0.00 C ATOM 88 C LEU A 6 4.850 -1.861 3.533 1.00 0.00 C ATOM 89 O LEU A 6 5.094 -1.561 2.367 1.00 0.00 O ATOM 90 CB LEU A 6 2.358 -1.532 3.375 1.00 0.00 C ATOM 91 CG LEU A 6 1.092 -0.810 3.867 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.667 -1.286 5.260 1.00 0.00 C ATOM 93 CD2 LEU A 6 1.118 0.734 3.818 1.00 0.00 C ATOM 0 H LEU A 6 3.787 0.568 3.250 1.00 0.00 H new ATOM 0 HA LEU A 6 3.456 -1.680 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.544 -1.241 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.168 -2.605 3.374 1.00 0.00 H new ATOM 0 HG LEU A 6 0.346 -1.101 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.231 -0.751 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.460 -2.356 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.469 -1.091 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.171 1.126 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.933 1.104 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.268 1.063 2.790 1.00 0.00 H new ATOM 105 N ALA A 7 5.650 -2.650 4.250 1.00 0.00 N ATOM 106 CA ALA A 7 6.705 -3.412 3.605 1.00 0.00 C ATOM 107 C ALA A 7 6.002 -4.515 2.826 1.00 0.00 C ATOM 108 O ALA A 7 5.147 -5.197 3.391 1.00 0.00 O ATOM 109 CB ALA A 7 7.662 -4.000 4.638 1.00 0.00 C ATOM 0 H ALA A 7 5.586 -2.774 5.260 1.00 0.00 H new ATOM 0 HA ALA A 7 7.308 -2.783 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.443 -4.566 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.115 -3.194 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.113 -4.661 5.308 1.00 0.00 H new ATOM 115 N VAL A 8 6.296 -4.628 1.532 1.00 0.00 N ATOM 116 CA VAL A 8 5.536 -5.430 0.590 1.00 0.00 C ATOM 117 C VAL A 8 6.513 -6.348 -0.138 1.00 0.00 C ATOM 118 O VAL A 8 7.505 -5.881 -0.690 1.00 0.00 O ATOM 119 CB VAL A 8 4.786 -4.491 -0.372 1.00 0.00 C ATOM 120 CG1 VAL A 8 4.215 -5.280 -1.552 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.604 -3.800 0.303 1.00 0.00 C ATOM 0 H VAL A 8 7.090 -4.151 1.105 1.00 0.00 H new ATOM 0 HA VAL A 8 4.790 -6.048 1.090 1.00 0.00 H new ATOM 0 HB VAL A 8 5.514 -3.749 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.688 -4.601 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.028 -5.765 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.522 -6.036 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.106 -3.148 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.900 -4.551 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.961 -3.207 1.145 1.00 0.00 H new ATOM 131 N HIS A 9 6.231 -7.651 -0.147 1.00 0.00 N ATOM 132 CA HIS A 9 7.101 -8.677 -0.699 1.00 0.00 C ATOM 133 C HIS A 9 6.286 -9.582 -1.624 1.00 0.00 C ATOM 134 O HIS A 9 5.086 -9.766 -1.420 1.00 0.00 O ATOM 135 CB HIS A 9 7.734 -9.458 0.459 1.00 0.00 C ATOM 136 CG HIS A 9 8.374 -8.557 1.489 1.00 0.00 C ATOM 137 ND1 HIS A 9 9.375 -7.642 1.251 1.00 0.00 N ATOM 138 CD2 HIS A 9 7.944 -8.370 2.777 1.00 0.00 C ATOM 139 CE1 HIS A 9 9.561 -6.940 2.381 1.00 0.00 C ATOM 140 NE2 HIS A 9 8.715 -7.349 3.341 1.00 0.00 N ATOM 0 H HIS A 9 5.366 -8.027 0.241 1.00 0.00 H new ATOM 0 HA HIS A 9 7.903 -8.236 -1.291 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.970 -10.068 0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.485 -10.141 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.151 -8.914 3.269 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.291 -6.154 2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.648 -6.987 4.292 1.00 0.00 H new ATOM 148 N GLY A 10 6.933 -10.118 -2.663 1.00 0.00 N ATOM 149 CA GLY A 10 6.312 -10.974 -3.665 1.00 0.00 C ATOM 150 C GLY A 10 6.266 -10.258 -5.012 1.00 0.00 C ATOM 151 O GLY A 10 6.894 -10.704 -5.970 1.00 0.00 O ATOM 0 H GLY A 10 7.927 -9.962 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.873 -11.904 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.303 -11.240 -3.352 1.00 0.00 H new ATOM 155 N MET A 11 5.538 -9.138 -5.084 1.00 0.00 N ATOM 156 CA MET A 11 5.495 -8.294 -6.272 1.00 0.00 C ATOM 157 C MET A 11 6.908 -7.965 -6.761 1.00 0.00 C ATOM 158 O MET A 11 7.817 -7.773 -5.956 1.00 0.00 O ATOM 159 CB MET A 11 4.676 -7.022 -5.994 1.00 0.00 C ATOM 160 CG MET A 11 5.065 -6.227 -4.741 1.00 0.00 C ATOM 161 SD MET A 11 6.628 -5.308 -4.818 1.00 0.00 S ATOM 162 CE MET A 11 6.212 -3.749 -4.010 1.00 0.00 C ATOM 0 H MET A 11 4.962 -8.795 -4.315 1.00 0.00 H new ATOM 0 HA MET A 11 4.998 -8.842 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.762 -6.363 -6.858 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.626 -7.302 -5.910 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.264 -5.520 -4.523 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.117 -6.919 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.915 -2.977 -4.324 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.200 -3.454 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.269 -3.873 -2.929 1.00 0.00 H new ATOM 172 N THR A 12 7.126 -7.941 -8.078 1.00 0.00 N ATOM 173 CA THR A 12 8.399 -7.576 -8.675 1.00 0.00 C ATOM 174 C THR A 12 8.168 -6.944 -10.062 1.00 0.00 C ATOM 175 O THR A 12 9.107 -6.854 -10.847 1.00 0.00 O ATOM 176 CB THR A 12 9.302 -8.834 -8.687 1.00 0.00 C ATOM 177 OG1 THR A 12 9.637 -9.241 -7.373 1.00 0.00 O ATOM 178 CG2 THR A 12 10.641 -8.638 -9.389 1.00 0.00 C ATOM 0 H THR A 12 6.409 -8.179 -8.763 1.00 0.00 H new ATOM 0 HA THR A 12 8.917 -6.812 -8.095 1.00 0.00 H new ATOM 0 HB THR A 12 8.703 -9.570 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.157 -8.683 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.211 -9.567 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.469 -8.359 -10.429 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.202 -7.848 -8.889 1.00 0.00 H new ATOM 186 N CYS A 13 6.952 -6.475 -10.397 1.00 0.00 N ATOM 187 CA CYS A 13 6.739 -5.875 -11.711 1.00 0.00 C ATOM 188 C CYS A 13 5.780 -4.688 -11.691 1.00 0.00 C ATOM 189 O CYS A 13 5.032 -4.449 -10.733 1.00 0.00 O ATOM 190 CB CYS A 13 6.317 -6.936 -12.735 1.00 0.00 C ATOM 191 SG CYS A 13 4.620 -7.532 -12.588 1.00 0.00 S ATOM 0 H CYS A 13 6.131 -6.501 -9.793 1.00 0.00 H new ATOM 0 HA CYS A 13 7.699 -5.463 -12.022 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.453 -6.524 -13.735 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.991 -7.788 -12.647 1.00 0.00 H new ATOM 196 N SER A 14 5.838 -3.936 -12.791 1.00 0.00 N ATOM 197 CA SER A 14 5.015 -2.781 -13.065 1.00 0.00 C ATOM 198 C SER A 14 3.542 -3.140 -12.916 1.00 0.00 C ATOM 199 O SER A 14 2.801 -2.421 -12.264 1.00 0.00 O ATOM 200 CB SER A 14 5.333 -2.294 -14.482 1.00 0.00 C ATOM 201 OG SER A 14 6.725 -2.424 -14.716 1.00 0.00 O ATOM 0 H SER A 14 6.496 -4.134 -13.545 1.00 0.00 H new ATOM 0 HA SER A 14 5.226 -1.982 -12.355 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.773 -2.876 -15.214 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.027 -1.254 -14.600 1.00 0.00 H new ATOM 0 HG SER A 14 6.935 -2.115 -15.622 1.00 0.00 H new ATOM 207 N ALA A 15 3.111 -4.257 -13.507 1.00 0.00 N ATOM 208 CA ALA A 15 1.728 -4.697 -13.426 1.00 0.00 C ATOM 209 C ALA A 15 1.278 -4.830 -11.970 1.00 0.00 C ATOM 210 O ALA A 15 0.180 -4.385 -11.634 1.00 0.00 O ATOM 211 CB ALA A 15 1.541 -6.013 -14.186 1.00 0.00 C ATOM 0 H ALA A 15 3.713 -4.875 -14.051 1.00 0.00 H new ATOM 0 HA ALA A 15 1.099 -3.941 -13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.500 -6.329 -14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.807 -5.869 -15.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.183 -6.779 -13.751 1.00 0.00 H new ATOM 217 N CYS A 16 2.121 -5.406 -11.106 1.00 0.00 N ATOM 218 CA CYS A 16 1.765 -5.695 -9.729 1.00 0.00 C ATOM 219 C CYS A 16 1.719 -4.386 -8.967 1.00 0.00 C ATOM 220 O CYS A 16 0.733 -4.054 -8.319 1.00 0.00 O ATOM 221 CB CYS A 16 2.801 -6.624 -9.099 1.00 0.00 C ATOM 222 SG CYS A 16 2.749 -8.341 -9.661 1.00 0.00 S ATOM 0 H CYS A 16 3.071 -5.683 -11.352 1.00 0.00 H new ATOM 0 HA CYS A 16 0.794 -6.189 -9.693 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.794 -6.223 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.667 -6.610 -8.017 1.00 0.00 H new ATOM 227 N THR A 17 2.793 -3.611 -9.042 1.00 0.00 N ATOM 228 CA THR A 17 2.802 -2.345 -8.349 1.00 0.00 C ATOM 229 C THR A 17 1.744 -1.360 -8.859 1.00 0.00 C ATOM 230 O THR A 17 1.180 -0.567 -8.094 1.00 0.00 O ATOM 231 CB THR A 17 4.227 -1.832 -8.388 1.00 0.00 C ATOM 232 OG1 THR A 17 4.773 -1.833 -9.696 1.00 0.00 O ATOM 233 CG2 THR A 17 5.074 -2.715 -7.468 1.00 0.00 C ATOM 0 H THR A 17 3.642 -3.833 -9.561 1.00 0.00 H new ATOM 0 HA THR A 17 2.499 -2.474 -7.310 1.00 0.00 H new ATOM 0 HB THR A 17 4.229 -0.795 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.982 -2.753 -9.963 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.107 -2.366 -7.478 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.683 -2.662 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.036 -3.747 -7.818 1.00 0.00 H new ATOM 241 N ASN A 18 1.414 -1.441 -10.144 1.00 0.00 N ATOM 242 CA ASN A 18 0.366 -0.629 -10.716 1.00 0.00 C ATOM 243 C ASN A 18 -0.962 -1.044 -10.105 1.00 0.00 C ATOM 244 O ASN A 18 -1.658 -0.241 -9.486 1.00 0.00 O ATOM 245 CB ASN A 18 0.341 -0.769 -12.228 1.00 0.00 C ATOM 246 CG ASN A 18 -0.659 0.192 -12.854 1.00 0.00 C ATOM 247 OD1 ASN A 18 -0.993 1.221 -12.275 1.00 0.00 O ATOM 248 ND2 ASN A 18 -1.137 -0.138 -14.048 1.00 0.00 N ATOM 0 H ASN A 18 1.867 -2.069 -10.808 1.00 0.00 H new ATOM 0 HA ASN A 18 0.552 0.421 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.336 -0.576 -12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.082 -1.793 -12.497 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.806 0.473 -14.516 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.835 -1.002 -14.497 1.00 0.00 H new ATOM 255 N THR A 19 -1.257 -2.337 -10.232 1.00 0.00 N ATOM 256 CA THR A 19 -2.361 -2.998 -9.562 1.00 0.00 C ATOM 257 C THR A 19 -2.449 -2.564 -8.099 1.00 0.00 C ATOM 258 O THR A 19 -3.536 -2.235 -7.626 1.00 0.00 O ATOM 259 CB THR A 19 -2.171 -4.511 -9.717 1.00 0.00 C ATOM 260 OG1 THR A 19 -2.421 -4.873 -11.058 1.00 0.00 O ATOM 261 CG2 THR A 19 -3.011 -5.384 -8.788 1.00 0.00 C ATOM 0 H THR A 19 -0.714 -2.967 -10.823 1.00 0.00 H new ATOM 0 HA THR A 19 -3.311 -2.714 -10.015 1.00 0.00 H new ATOM 0 HB THR A 19 -1.139 -4.704 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.591 -4.808 -11.575 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.797 -6.435 -8.984 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.768 -5.151 -7.751 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.069 -5.190 -8.965 1.00 0.00 H new ATOM 269 N ILE A 20 -1.320 -2.524 -7.384 1.00 0.00 N ATOM 270 CA ILE A 20 -1.358 -2.157 -5.974 1.00 0.00 C ATOM 271 C ILE A 20 -1.820 -0.707 -5.864 1.00 0.00 C ATOM 272 O ILE A 20 -2.902 -0.444 -5.339 1.00 0.00 O ATOM 273 CB ILE A 20 -0.018 -2.448 -5.272 1.00 0.00 C ATOM 274 CG1 ILE A 20 0.169 -3.943 -5.008 1.00 0.00 C ATOM 275 CG2 ILE A 20 0.040 -1.688 -3.940 1.00 0.00 C ATOM 276 CD1 ILE A 20 1.628 -4.276 -4.656 1.00 0.00 C ATOM 0 H ILE A 20 -0.392 -2.736 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.079 -2.776 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 20 0.783 -2.117 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.483 -4.253 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.132 -4.509 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.988 -1.895 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.046 -0.618 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.782 -2.011 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.723 -5.347 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.277 -3.989 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.920 -3.729 -3.760 1.00 0.00 H new ATOM 288 N ASN A 21 -1.022 0.247 -6.350 1.00 0.00 N ATOM 289 CA ASN A 21 -1.322 1.657 -6.101 1.00 0.00 C ATOM 290 C ASN A 21 -2.723 2.047 -6.579 1.00 0.00 C ATOM 291 O ASN A 21 -3.424 2.820 -5.927 1.00 0.00 O ATOM 292 CB ASN A 21 -0.235 2.579 -6.644 1.00 0.00 C ATOM 293 CG ASN A 21 -0.419 2.954 -8.091 1.00 0.00 C ATOM 294 OD1 ASN A 21 -0.858 4.056 -8.415 1.00 0.00 O ATOM 295 ND2 ASN A 21 -0.056 2.029 -8.957 1.00 0.00 N ATOM 0 H ASN A 21 -0.183 0.075 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.325 1.792 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.210 3.488 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.733 2.092 -6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.132 2.209 -9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.301 1.133 -8.626 1.00 0.00 H new ATOM 302 N THR A 22 -3.139 1.453 -7.694 1.00 0.00 N ATOM 303 CA THR A 22 -4.498 1.534 -8.215 1.00 0.00 C ATOM 304 C THR A 22 -5.541 1.188 -7.142 1.00 0.00 C ATOM 305 O THR A 22 -6.509 1.927 -6.969 1.00 0.00 O ATOM 306 CB THR A 22 -4.621 0.631 -9.454 1.00 0.00 C ATOM 307 OG1 THR A 22 -3.774 1.128 -10.468 1.00 0.00 O ATOM 308 CG2 THR A 22 -6.039 0.573 -10.026 1.00 0.00 C ATOM 0 H THR A 22 -2.522 0.886 -8.276 1.00 0.00 H new ATOM 0 HA THR A 22 -4.703 2.563 -8.512 1.00 0.00 H new ATOM 0 HB THR A 22 -4.346 -0.374 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.871 0.767 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.053 -0.081 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.721 0.185 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.354 1.574 -10.319 1.00 0.00 H new ATOM 316 N GLN A 23 -5.374 0.078 -6.414 1.00 0.00 N ATOM 317 CA GLN A 23 -6.336 -0.340 -5.418 1.00 0.00 C ATOM 318 C GLN A 23 -6.362 0.670 -4.284 1.00 0.00 C ATOM 319 O GLN A 23 -7.432 1.133 -3.902 1.00 0.00 O ATOM 320 CB GLN A 23 -5.942 -1.712 -4.884 1.00 0.00 C ATOM 321 CG GLN A 23 -6.173 -2.843 -5.883 1.00 0.00 C ATOM 322 CD GLN A 23 -7.611 -3.350 -5.883 1.00 0.00 C ATOM 323 OE1 GLN A 23 -7.915 -4.364 -5.268 1.00 0.00 O ATOM 324 NE2 GLN A 23 -8.515 -2.657 -6.568 1.00 0.00 N ATOM 0 H GLN A 23 -4.571 -0.544 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.328 -0.399 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.889 -1.695 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.511 -1.917 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.916 -2.495 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.502 -3.670 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.237 -1.815 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.487 -2.967 -6.589 1.00 0.00 H new ATOM 333 N LEU A 24 -5.181 1.027 -3.770 1.00 0.00 N ATOM 334 CA LEU A 24 -5.065 2.021 -2.712 1.00 0.00 C ATOM 335 C LEU A 24 -5.834 3.288 -3.087 1.00 0.00 C ATOM 336 O LEU A 24 -6.606 3.823 -2.293 1.00 0.00 O ATOM 337 CB LEU A 24 -3.598 2.387 -2.479 1.00 0.00 C ATOM 338 CG LEU A 24 -2.759 1.353 -1.725 1.00 0.00 C ATOM 339 CD1 LEU A 24 -3.431 0.887 -0.442 1.00 0.00 C ATOM 340 CD2 LEU A 24 -2.326 0.152 -2.532 1.00 0.00 C ATOM 0 H LEU A 24 -4.290 0.636 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.483 1.593 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.131 2.568 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.562 3.326 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.849 1.904 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.796 0.154 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.587 1.740 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.393 0.432 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.738 -0.516 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.206 -0.376 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.721 0.480 -3.377 1.00 0.00 H new ATOM 352 N ARG A 25 -5.627 3.755 -4.320 1.00 0.00 N ATOM 353 CA ARG A 25 -6.325 4.909 -4.860 1.00 0.00 C ATOM 354 C ARG A 25 -7.842 4.779 -4.707 1.00 0.00 C ATOM 355 O ARG A 25 -8.523 5.778 -4.492 1.00 0.00 O ATOM 356 CB ARG A 25 -5.944 5.104 -6.340 1.00 0.00 C ATOM 357 CG ARG A 25 -5.324 6.479 -6.584 1.00 0.00 C ATOM 358 CD ARG A 25 -3.917 6.577 -5.982 1.00 0.00 C ATOM 359 NE ARG A 25 -3.364 7.917 -6.233 1.00 0.00 N ATOM 360 CZ ARG A 25 -2.386 8.237 -7.098 1.00 0.00 C ATOM 361 NH1 ARG A 25 -1.581 7.301 -7.617 1.00 0.00 N ATOM 362 NH2 ARG A 25 -2.231 9.519 -7.451 1.00 0.00 N ATOM 0 H ARG A 25 -4.964 3.335 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.018 5.786 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.240 4.328 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.831 4.988 -6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.276 6.673 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.961 7.249 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.955 6.383 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.269 5.818 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.765 8.684 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.703 6.322 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.845 7.567 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.849 10.233 -7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.495 9.782 -8.106 1.00 0.00 H new ATOM 376 N ALA A 26 -8.371 3.561 -4.849 1.00 0.00 N ATOM 377 CA ALA A 26 -9.797 3.309 -4.947 1.00 0.00 C ATOM 378 C ALA A 26 -10.400 2.771 -3.644 1.00 0.00 C ATOM 379 O ALA A 26 -11.444 2.125 -3.698 1.00 0.00 O ATOM 380 CB ALA A 26 -10.039 2.341 -6.109 1.00 0.00 C ATOM 0 H ALA A 26 -7.805 2.714 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.302 4.257 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.106 2.139 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.675 2.786 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.508 1.408 -5.922 1.00 0.00 H new ATOM 386 N LEU A 27 -9.780 3.024 -2.482 1.00 0.00 N ATOM 387 CA LEU A 27 -10.385 2.645 -1.205 1.00 0.00 C ATOM 388 C LEU A 27 -11.400 3.718 -0.797 1.00 0.00 C ATOM 389 O LEU A 27 -12.503 3.755 -1.335 1.00 0.00 O ATOM 390 CB LEU A 27 -9.318 2.333 -0.137 1.00 0.00 C ATOM 391 CG LEU A 27 -8.281 1.315 -0.613 1.00 0.00 C ATOM 392 CD1 LEU A 27 -7.312 0.967 0.523 1.00 0.00 C ATOM 393 CD2 LEU A 27 -8.899 0.037 -1.196 1.00 0.00 C ATOM 0 H LEU A 27 -8.873 3.483 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.933 1.709 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.811 3.256 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.808 1.953 0.759 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.737 1.793 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.580 0.241 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.797 1.870 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.868 0.542 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.105 -0.639 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.510 -0.451 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.522 0.292 -2.053 1.00 0.00 H new ATOM 405 N LYS A 28 -11.052 4.600 0.144 1.00 0.00 N ATOM 406 CA LYS A 28 -11.907 5.693 0.558 1.00 0.00 C ATOM 407 C LYS A 28 -11.046 6.795 1.167 1.00 0.00 C ATOM 408 O LYS A 28 -10.962 7.896 0.632 1.00 0.00 O ATOM 409 CB LYS A 28 -12.957 5.148 1.535 1.00 0.00 C ATOM 410 CG LYS A 28 -14.070 6.163 1.808 1.00 0.00 C ATOM 411 CD LYS A 28 -15.307 5.435 2.341 1.00 0.00 C ATOM 412 CE LYS A 28 -15.046 4.720 3.678 1.00 0.00 C ATOM 413 NZ LYS A 28 -16.072 5.033 4.692 1.00 0.00 N ATOM 0 H LYS A 28 -10.160 4.567 0.638 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.438 6.130 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.391 4.235 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.473 4.880 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.731 6.904 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.318 6.701 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.118 6.152 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.640 4.706 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.019 3.643 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.065 5.009 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.953 4.405 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.969 6.022 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.018 4.893 4.283 1.00 0.00 H new ATOM 427 N GLY A 29 -10.368 6.490 2.275 1.00 0.00 N ATOM 428 CA GLY A 29 -9.680 7.501 3.065 1.00 0.00 C ATOM 429 C GLY A 29 -8.203 7.585 2.705 1.00 0.00 C ATOM 430 O GLY A 29 -7.382 7.706 3.610 1.00 0.00 O ATOM 0 H GLY A 29 -10.283 5.543 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.150 8.471 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.784 7.268 4.125 1.00 0.00 H new ATOM 434 N VAL A 30 -7.871 7.506 1.411 1.00 0.00 N ATOM 435 CA VAL A 30 -6.503 7.509 0.897 1.00 0.00 C ATOM 436 C VAL A 30 -6.289 8.780 0.078 1.00 0.00 C ATOM 437 O VAL A 30 -6.971 8.985 -0.923 1.00 0.00 O ATOM 438 CB VAL A 30 -6.237 6.240 0.067 1.00 0.00 C ATOM 439 CG1 VAL A 30 -4.893 6.330 -0.674 1.00 0.00 C ATOM 440 CG2 VAL A 30 -6.207 5.012 0.986 1.00 0.00 C ATOM 0 H VAL A 30 -8.571 7.436 0.673 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.792 7.502 1.723 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.040 6.148 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.734 5.419 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.905 7.188 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.086 6.447 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.018 4.118 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.415 5.130 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.166 4.914 1.494 1.00 0.00 H new ATOM 450 N THR A 31 -5.353 9.630 0.505 1.00 0.00 N ATOM 451 CA THR A 31 -5.060 10.909 -0.119 1.00 0.00 C ATOM 452 C THR A 31 -4.005 10.801 -1.216 1.00 0.00 C ATOM 453 O THR A 31 -4.112 11.458 -2.250 1.00 0.00 O ATOM 454 CB THR A 31 -4.667 11.950 0.946 1.00 0.00 C ATOM 455 OG1 THR A 31 -4.795 11.419 2.253 1.00 0.00 O ATOM 456 CG2 THR A 31 -5.545 13.200 0.825 1.00 0.00 C ATOM 0 H THR A 31 -4.766 9.437 1.316 1.00 0.00 H new ATOM 0 HA THR A 31 -5.972 11.246 -0.611 1.00 0.00 H new ATOM 0 HB THR A 31 -3.624 12.217 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.538 12.100 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.253 13.925 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.417 13.640 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.590 12.926 0.968 1.00 0.00 H new ATOM 464 N LYS A 32 -2.966 10.000 -0.983 1.00 0.00 N ATOM 465 CA LYS A 32 -1.840 9.855 -1.891 1.00 0.00 C ATOM 466 C LYS A 32 -1.364 8.410 -1.789 1.00 0.00 C ATOM 467 O LYS A 32 -1.700 7.724 -0.823 1.00 0.00 O ATOM 468 CB LYS A 32 -0.725 10.850 -1.519 1.00 0.00 C ATOM 469 CG LYS A 32 -0.174 11.604 -2.736 1.00 0.00 C ATOM 470 CD LYS A 32 1.210 12.204 -2.434 1.00 0.00 C ATOM 471 CE LYS A 32 2.288 11.170 -2.790 1.00 0.00 C ATOM 472 NZ LYS A 32 3.671 11.660 -2.631 1.00 0.00 N ATOM 0 H LYS A 32 -2.886 9.426 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.128 10.077 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.111 11.568 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.088 10.312 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.102 10.926 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.865 12.398 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.359 13.117 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.281 12.476 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.152 10.289 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.144 10.852 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.334 10.958 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.782 12.559 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.873 11.809 -1.622 1.00 0.00 H new ATOM 486 N CYS A 33 -0.609 7.938 -2.783 1.00 0.00 N ATOM 487 CA CYS A 33 -0.161 6.556 -2.832 1.00 0.00 C ATOM 488 C CYS A 33 0.995 6.410 -3.812 1.00 0.00 C ATOM 489 O CYS A 33 0.791 6.574 -5.017 1.00 0.00 O ATOM 490 CB CYS A 33 -1.313 5.632 -3.222 1.00 0.00 C ATOM 491 SG CYS A 33 -0.613 3.983 -3.451 1.00 0.00 S ATOM 0 H CYS A 33 -0.295 8.505 -3.571 1.00 0.00 H new ATOM 0 HA CYS A 33 0.187 6.269 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.079 5.622 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.792 5.978 -4.138 1.00 0.00 H new ATOM 0 HG CYS A 33 0.201 3.717 -2.473 1.00 0.00 H new ATOM 497 N ASP A 34 2.177 6.098 -3.272 1.00 0.00 N ATOM 498 CA ASP A 34 3.438 6.030 -3.979 1.00 0.00 C ATOM 499 C ASP A 34 4.072 4.678 -3.642 1.00 0.00 C ATOM 500 O ASP A 34 4.517 4.457 -2.514 1.00 0.00 O ATOM 501 CB ASP A 34 4.344 7.174 -3.497 1.00 0.00 C ATOM 502 CG ASP A 34 3.948 8.568 -3.969 1.00 0.00 C ATOM 503 OD1 ASP A 34 2.857 8.727 -4.554 1.00 0.00 O ATOM 504 OD2 ASP A 34 4.723 9.507 -3.678 1.00 0.00 O ATOM 0 H ASP A 34 2.274 5.877 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 34 3.299 6.127 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.358 7.169 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.362 6.972 -3.830 1.00 0.00 H new ATOM 509 N ILE A 35 4.089 3.748 -4.600 1.00 0.00 N ATOM 510 CA ILE A 35 4.737 2.456 -4.433 1.00 0.00 C ATOM 511 C ILE A 35 6.179 2.472 -4.944 1.00 0.00 C ATOM 512 O ILE A 35 6.489 3.237 -5.856 1.00 0.00 O ATOM 513 CB ILE A 35 3.875 1.412 -5.142 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.342 -0.001 -4.774 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.829 1.603 -6.668 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.105 -0.879 -4.705 1.00 0.00 C ATOM 0 H ILE A 35 3.652 3.875 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 35 4.815 2.206 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 35 2.853 1.552 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.042 -0.381 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.865 0.003 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.201 0.831 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.416 2.585 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.838 1.529 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.395 -1.897 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.425 -0.491 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.606 -0.881 -5.674 1.00 0.00 H new ATOM 528 N SER A 36 7.057 1.624 -4.385 1.00 0.00 N ATOM 529 CA SER A 36 8.436 1.510 -4.845 1.00 0.00 C ATOM 530 C SER A 36 8.878 0.052 -4.976 1.00 0.00 C ATOM 531 O SER A 36 8.954 -0.678 -3.988 1.00 0.00 O ATOM 532 CB SER A 36 9.373 2.228 -3.878 1.00 0.00 C ATOM 533 OG SER A 36 10.676 2.243 -4.438 1.00 0.00 O ATOM 0 H SER A 36 6.826 1.005 -3.607 1.00 0.00 H new ATOM 0 HA SER A 36 8.485 1.972 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.026 3.246 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.382 1.721 -2.913 1.00 0.00 H new ATOM 0 HG SER A 36 11.252 2.836 -3.911 1.00 0.00 H new ATOM 539 N LEU A 37 9.282 -0.332 -6.192 1.00 0.00 N ATOM 540 CA LEU A 37 10.028 -1.560 -6.433 1.00 0.00 C ATOM 541 C LEU A 37 11.505 -1.431 -6.027 1.00 0.00 C ATOM 542 O LEU A 37 12.255 -2.383 -6.226 1.00 0.00 O ATOM 543 CB LEU A 37 9.873 -1.995 -7.909 1.00 0.00 C ATOM 544 CG LEU A 37 8.521 -2.616 -8.259 1.00 0.00 C ATOM 545 CD1 LEU A 37 8.524 -3.089 -9.715 1.00 0.00 C ATOM 546 CD2 LEU A 37 8.231 -3.809 -7.344 1.00 0.00 C ATOM 0 H LEU A 37 9.097 0.207 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 37 9.607 -2.340 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.033 -1.126 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.658 -2.713 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 37 7.748 -1.860 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.557 -3.530 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.710 -2.240 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.307 -3.834 -9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.265 -4.241 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.010 -4.561 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.211 -3.475 -6.307 1.00 0.00 H new ATOM 558 N VAL A 38 11.940 -0.301 -5.447 1.00 0.00 N ATOM 559 CA VAL A 38 13.307 -0.166 -4.952 1.00 0.00 C ATOM 560 C VAL A 38 13.361 -0.663 -3.509 1.00 0.00 C ATOM 561 O VAL A 38 14.077 -1.612 -3.201 1.00 0.00 O ATOM 562 CB VAL A 38 13.797 1.288 -5.082 1.00 0.00 C ATOM 563 CG1 VAL A 38 15.247 1.422 -4.597 1.00 0.00 C ATOM 564 CG2 VAL A 38 13.710 1.748 -6.543 1.00 0.00 C ATOM 0 H VAL A 38 11.361 0.528 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 38 13.981 -0.775 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 38 13.156 1.914 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.570 2.458 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.310 1.123 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.892 0.780 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.059 2.778 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.333 1.105 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.676 1.689 -6.882 1.00 0.00 H new ATOM 574 N THR A 39 12.612 -0.014 -2.618 1.00 0.00 N ATOM 575 CA THR A 39 12.612 -0.349 -1.203 1.00 0.00 C ATOM 576 C THR A 39 11.791 -1.610 -0.922 1.00 0.00 C ATOM 577 O THR A 39 11.989 -2.253 0.106 1.00 0.00 O ATOM 578 CB THR A 39 12.059 0.849 -0.432 1.00 0.00 C ATOM 579 OG1 THR A 39 10.837 1.235 -1.019 1.00 0.00 O ATOM 580 CG2 THR A 39 13.002 2.057 -0.493 1.00 0.00 C ATOM 0 H THR A 39 11.990 0.757 -2.861 1.00 0.00 H new ATOM 0 HA THR A 39 13.630 -0.565 -0.880 1.00 0.00 H new ATOM 0 HB THR A 39 11.940 0.548 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.438 1.961 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.569 2.885 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.965 1.789 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.143 2.357 -1.532 1.00 0.00 H new ATOM 588 N ASN A 40 10.857 -1.953 -1.817 1.00 0.00 N ATOM 589 CA ASN A 40 9.875 -3.012 -1.606 1.00 0.00 C ATOM 590 C ASN A 40 8.969 -2.628 -0.441 1.00 0.00 C ATOM 591 O ASN A 40 8.653 -3.441 0.429 1.00 0.00 O ATOM 592 CB ASN A 40 10.505 -4.405 -1.427 1.00 0.00 C ATOM 593 CG ASN A 40 11.602 -4.718 -2.419 1.00 0.00 C ATOM 594 OD1 ASN A 40 12.745 -4.984 -2.065 1.00 0.00 O ATOM 595 ND2 ASN A 40 11.232 -4.702 -3.683 1.00 0.00 N ATOM 0 H ASN A 40 10.765 -1.492 -2.722 1.00 0.00 H new ATOM 0 HA ASN A 40 9.275 -3.101 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.910 -4.482 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.723 -5.160 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.909 -4.917 -4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.269 -4.475 -3.930 1.00 0.00 H new ATOM 602 N GLU A 41 8.522 -1.373 -0.455 1.00 0.00 N ATOM 603 CA GLU A 41 7.436 -0.912 0.377 1.00 0.00 C ATOM 604 C GLU A 41 6.398 -0.215 -0.516 1.00 0.00 C ATOM 605 O GLU A 41 6.705 0.216 -1.635 1.00 0.00 O ATOM 606 CB GLU A 41 7.947 -0.047 1.537 1.00 0.00 C ATOM 607 CG GLU A 41 8.294 1.381 1.102 1.00 0.00 C ATOM 608 CD GLU A 41 9.563 1.938 1.741 1.00 0.00 C ATOM 609 OE1 GLU A 41 9.895 1.533 2.875 1.00 0.00 O ATOM 610 OE2 GLU A 41 10.213 2.736 1.032 1.00 0.00 O ATOM 0 H GLU A 41 8.915 -0.648 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 41 6.942 -1.754 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.188 -0.010 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.830 -0.515 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.407 1.401 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.459 2.037 1.348 1.00 0.00 H new ATOM 617 N CYS A 42 5.166 -0.109 -0.020 1.00 0.00 N ATOM 618 CA CYS A 42 4.149 0.790 -0.521 1.00 0.00 C ATOM 619 C CYS A 42 4.025 1.908 0.504 1.00 0.00 C ATOM 620 O CYS A 42 3.829 1.598 1.681 1.00 0.00 O ATOM 621 CB CYS A 42 2.816 0.050 -0.653 1.00 0.00 C ATOM 622 SG CYS A 42 1.602 1.273 -1.172 1.00 0.00 S ATOM 0 H CYS A 42 4.846 -0.670 0.769 1.00 0.00 H new ATOM 0 HA CYS A 42 4.412 1.180 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.891 -0.756 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.529 -0.404 0.295 1.00 0.00 H new ATOM 0 HG CYS A 42 0.441 0.703 -1.305 1.00 0.00 H new ATOM 628 N GLN A 43 4.154 3.174 0.084 1.00 0.00 N ATOM 629 CA GLN A 43 3.822 4.299 0.938 1.00 0.00 C ATOM 630 C GLN A 43 2.432 4.786 0.530 1.00 0.00 C ATOM 631 O GLN A 43 2.149 4.942 -0.662 1.00 0.00 O ATOM 632 CB GLN A 43 4.869 5.420 0.834 1.00 0.00 C ATOM 633 CG GLN A 43 5.051 6.061 2.222 1.00 0.00 C ATOM 634 CD GLN A 43 5.545 7.505 2.195 1.00 0.00 C ATOM 635 OE1 GLN A 43 5.281 8.247 1.253 1.00 0.00 O ATOM 636 NE2 GLN A 43 6.232 7.939 3.247 1.00 0.00 N ATOM 0 H GLN A 43 4.487 3.434 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 43 3.822 3.991 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.817 5.018 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.548 6.170 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.099 6.026 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.757 5.460 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.439 7.304 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.552 8.907 3.283 1.00 0.00 H new ATOM 645 N VAL A 44 1.559 5.005 1.511 1.00 0.00 N ATOM 646 CA VAL A 44 0.198 5.466 1.276 1.00 0.00 C ATOM 647 C VAL A 44 -0.104 6.580 2.277 1.00 0.00 C ATOM 648 O VAL A 44 0.295 6.444 3.436 1.00 0.00 O ATOM 649 CB VAL A 44 -0.756 4.260 1.347 1.00 0.00 C ATOM 650 CG1 VAL A 44 -1.651 4.207 2.578 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.660 4.238 0.121 1.00 0.00 C ATOM 0 H VAL A 44 1.780 4.866 2.497 1.00 0.00 H new ATOM 0 HA VAL A 44 0.063 5.893 0.282 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.095 3.395 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.283 3.320 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.034 4.165 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.278 5.098 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.332 3.382 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.246 5.157 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.050 4.160 -0.779 1.00 0.00 H new ATOM 661 N THR A 45 -0.780 7.660 1.856 1.00 0.00 N ATOM 662 CA THR A 45 -1.177 8.732 2.749 1.00 0.00 C ATOM 663 C THR A 45 -2.651 8.490 3.012 1.00 0.00 C ATOM 664 O THR A 45 -3.422 8.512 2.054 1.00 0.00 O ATOM 665 CB THR A 45 -0.934 10.103 2.097 1.00 0.00 C ATOM 666 OG1 THR A 45 0.321 10.141 1.449 1.00 0.00 O ATOM 667 CG2 THR A 45 -1.014 11.214 3.145 1.00 0.00 C ATOM 0 H THR A 45 -1.061 7.804 0.886 1.00 0.00 H new ATOM 0 HA THR A 45 -0.600 8.739 3.674 1.00 0.00 H new ATOM 0 HB THR A 45 -1.712 10.262 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.913 10.765 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.840 12.178 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.002 11.210 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.257 11.047 3.911 1.00 0.00 H new ATOM 675 N TYR A 46 -3.038 8.204 4.257 1.00 0.00 N ATOM 676 CA TYR A 46 -4.434 7.975 4.605 1.00 0.00 C ATOM 677 C TYR A 46 -4.887 9.025 5.604 1.00 0.00 C ATOM 678 O TYR A 46 -4.043 9.599 6.300 1.00 0.00 O ATOM 679 CB TYR A 46 -4.660 6.553 5.132 1.00 0.00 C ATOM 680 CG TYR A 46 -4.155 6.292 6.540 1.00 0.00 C ATOM 681 CD1 TYR A 46 -4.947 6.616 7.659 1.00 0.00 C ATOM 682 CD2 TYR A 46 -2.906 5.685 6.732 1.00 0.00 C ATOM 683 CE1 TYR A 46 -4.466 6.386 8.959 1.00 0.00 C ATOM 684 CE2 TYR A 46 -2.451 5.401 8.031 1.00 0.00 C ATOM 685 CZ TYR A 46 -3.214 5.782 9.145 1.00 0.00 C ATOM 686 OH TYR A 46 -2.754 5.541 10.405 1.00 0.00 O ATOM 0 H TYR A 46 -2.394 8.126 5.044 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.040 8.068 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.728 6.338 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.174 5.851 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.929 7.043 7.517 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.292 5.435 5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.060 6.674 9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.511 4.888 8.172 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.872 5.117 10.356 1.00 0.00 H new ATOM 696 N ASP A 47 -6.206 9.261 5.675 1.00 0.00 N ATOM 697 CA ASP A 47 -6.761 10.177 6.660 1.00 0.00 C ATOM 698 C ASP A 47 -7.074 9.454 7.967 1.00 0.00 C ATOM 699 O ASP A 47 -6.242 9.430 8.872 1.00 0.00 O ATOM 700 CB ASP A 47 -7.882 11.078 6.120 1.00 0.00 C ATOM 701 CG ASP A 47 -7.821 12.480 6.741 1.00 0.00 C ATOM 702 OD1 ASP A 47 -7.107 12.660 7.758 1.00 0.00 O ATOM 703 OD2 ASP A 47 -8.441 13.379 6.143 1.00 0.00 O ATOM 0 H ASP A 47 -6.897 8.829 5.062 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.984 10.902 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.799 11.155 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.850 10.625 6.334 1.00 0.00 H new ATOM 708 N ASN A 48 -8.244 8.812 8.043 1.00 0.00 N ATOM 709 CA ASN A 48 -8.665 7.953 9.153 1.00 0.00 C ATOM 710 C ASN A 48 -9.513 6.797 8.630 1.00 0.00 C ATOM 711 O ASN A 48 -9.299 5.661 9.040 1.00 0.00 O ATOM 712 CB ASN A 48 -9.528 8.710 10.176 1.00 0.00 C ATOM 713 CG ASN A 48 -8.804 9.330 11.376 1.00 0.00 C ATOM 714 OD1 ASN A 48 -9.440 9.633 12.379 1.00 0.00 O ATOM 715 ND2 ASN A 48 -7.490 9.525 11.332 1.00 0.00 N ATOM 0 H ASN A 48 -8.948 8.879 7.308 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.752 7.600 9.632 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.055 9.506 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.284 8.023 10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.007 9.928 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.965 9.271 10.495 1.00 0.00 H new ATOM 722 N GLU A 49 -10.511 7.092 7.781 1.00 0.00 N ATOM 723 CA GLU A 49 -11.538 6.134 7.383 1.00 0.00 C ATOM 724 C GLU A 49 -10.961 4.794 6.936 1.00 0.00 C ATOM 725 O GLU A 49 -11.598 3.758 7.113 1.00 0.00 O ATOM 726 CB GLU A 49 -12.382 6.691 6.235 1.00 0.00 C ATOM 727 CG GLU A 49 -13.254 7.892 6.607 1.00 0.00 C ATOM 728 CD GLU A 49 -14.350 8.033 5.561 1.00 0.00 C ATOM 729 OE1 GLU A 49 -15.362 7.309 5.706 1.00 0.00 O ATOM 730 OE2 GLU A 49 -14.121 8.757 4.573 1.00 0.00 O ATOM 0 H GLU A 49 -10.623 8.011 7.352 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.149 5.970 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.718 6.980 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.024 5.896 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.690 7.752 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.651 8.799 6.649 1.00 0.00 H new ATOM 737 N VAL A 50 -9.786 4.834 6.308 1.00 0.00 N ATOM 738 CA VAL A 50 -9.040 3.661 5.917 1.00 0.00 C ATOM 739 C VAL A 50 -7.670 3.750 6.578 1.00 0.00 C ATOM 740 O VAL A 50 -7.066 4.818 6.574 1.00 0.00 O ATOM 741 CB VAL A 50 -8.978 3.612 4.381 1.00 0.00 C ATOM 742 CG1 VAL A 50 -7.912 2.645 3.865 1.00 0.00 C ATOM 743 CG2 VAL A 50 -10.346 3.202 3.822 1.00 0.00 C ATOM 0 H VAL A 50 -9.325 5.708 6.056 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.508 2.732 6.243 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.707 4.611 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.913 2.651 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.933 2.955 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.130 1.639 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.299 3.168 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.615 2.217 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.098 3.929 4.130 1.00 0.00 H new ATOM 753 N THR A 51 -7.204 2.645 7.161 1.00 0.00 N ATOM 754 CA THR A 51 -5.950 2.547 7.886 1.00 0.00 C ATOM 755 C THR A 51 -5.067 1.473 7.258 1.00 0.00 C ATOM 756 O THR A 51 -5.514 0.674 6.428 1.00 0.00 O ATOM 757 CB THR A 51 -6.256 2.211 9.351 1.00 0.00 C ATOM 758 OG1 THR A 51 -7.075 1.060 9.383 1.00 0.00 O ATOM 759 CG2 THR A 51 -6.973 3.371 10.046 1.00 0.00 C ATOM 0 H THR A 51 -7.715 1.762 7.136 1.00 0.00 H new ATOM 0 HA THR A 51 -5.413 3.495 7.837 1.00 0.00 H new ATOM 0 HB THR A 51 -5.319 2.032 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.279 0.830 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.177 3.104 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.341 4.259 10.018 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.912 3.578 9.533 1.00 0.00 H new ATOM 767 N ALA A 52 -3.811 1.438 7.714 1.00 0.00 N ATOM 768 CA ALA A 52 -2.819 0.434 7.380 1.00 0.00 C ATOM 769 C ALA A 52 -3.352 -0.987 7.553 1.00 0.00 C ATOM 770 O ALA A 52 -2.863 -1.902 6.904 1.00 0.00 O ATOM 771 CB ALA A 52 -1.626 0.650 8.294 1.00 0.00 C ATOM 0 H ALA A 52 -3.451 2.145 8.355 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.545 0.540 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.858 -0.090 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.223 1.651 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.940 0.545 9.333 1.00 0.00 H new ATOM 777 N ASP A 53 -4.335 -1.163 8.438 1.00 0.00 N ATOM 778 CA ASP A 53 -4.982 -2.438 8.697 1.00 0.00 C ATOM 779 C ASP A 53 -5.699 -2.936 7.435 1.00 0.00 C ATOM 780 O ASP A 53 -5.369 -3.976 6.868 1.00 0.00 O ATOM 781 CB ASP A 53 -5.954 -2.228 9.862 1.00 0.00 C ATOM 782 CG ASP A 53 -6.606 -3.534 10.285 1.00 0.00 C ATOM 783 OD1 ASP A 53 -5.842 -4.487 10.543 1.00 0.00 O ATOM 784 OD2 ASP A 53 -7.852 -3.537 10.361 1.00 0.00 O ATOM 0 H ASP A 53 -4.708 -0.401 9.005 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.253 -3.204 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.421 -1.795 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.724 -1.513 9.571 1.00 0.00 H new ATOM 789 N SER A 54 -6.655 -2.139 6.955 1.00 0.00 N ATOM 790 CA SER A 54 -7.385 -2.431 5.729 1.00 0.00 C ATOM 791 C SER A 54 -6.408 -2.484 4.553 1.00 0.00 C ATOM 792 O SER A 54 -6.397 -3.438 3.781 1.00 0.00 O ATOM 793 CB SER A 54 -8.460 -1.360 5.521 1.00 0.00 C ATOM 794 OG SER A 54 -9.190 -1.578 4.330 1.00 0.00 O ATOM 0 H SER A 54 -6.942 -1.272 7.409 1.00 0.00 H new ATOM 0 HA SER A 54 -7.876 -3.401 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.142 -1.359 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.992 -0.376 5.486 1.00 0.00 H new ATOM 0 HG SER A 54 -9.868 -0.878 4.229 1.00 0.00 H new ATOM 800 N ILE A 55 -5.572 -1.456 4.419 1.00 0.00 N ATOM 801 CA ILE A 55 -4.563 -1.361 3.379 1.00 0.00 C ATOM 802 C ILE A 55 -3.704 -2.614 3.290 1.00 0.00 C ATOM 803 O ILE A 55 -3.569 -3.162 2.198 1.00 0.00 O ATOM 804 CB ILE A 55 -3.738 -0.106 3.642 1.00 0.00 C ATOM 805 CG1 ILE A 55 -4.508 1.067 3.057 1.00 0.00 C ATOM 806 CG2 ILE A 55 -2.341 -0.166 3.021 1.00 0.00 C ATOM 807 CD1 ILE A 55 -4.239 2.362 3.829 1.00 0.00 C ATOM 0 H ILE A 55 -5.582 -0.652 5.046 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.045 -1.284 2.404 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.588 -0.005 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.228 1.201 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.575 0.847 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.804 0.756 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.795 -1.013 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.428 -0.284 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.807 3.177 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.543 2.236 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.175 2.596 3.788 1.00 0.00 H new ATOM 819 N LYS A 56 -3.126 -3.059 4.410 1.00 0.00 N ATOM 820 CA LYS A 56 -2.468 -4.352 4.472 1.00 0.00 C ATOM 821 C LYS A 56 -3.318 -5.388 3.739 1.00 0.00 C ATOM 822 O LYS A 56 -2.835 -6.034 2.818 1.00 0.00 O ATOM 823 CB LYS A 56 -2.189 -4.786 5.925 1.00 0.00 C ATOM 824 CG LYS A 56 -1.791 -6.262 5.906 1.00 0.00 C ATOM 825 CD LYS A 56 -0.763 -6.574 6.987 1.00 0.00 C ATOM 826 CE LYS A 56 -1.473 -7.174 8.189 1.00 0.00 C ATOM 827 NZ LYS A 56 -1.553 -8.643 8.035 1.00 0.00 N ATOM 0 H LYS A 56 -3.105 -2.535 5.285 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.498 -4.271 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.392 -4.181 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.074 -4.637 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.676 -6.881 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.382 -6.518 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.016 -7.270 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.235 -5.666 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.936 -6.923 9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.474 -6.753 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.246 -9.026 8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.849 -8.875 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.620 -9.063 8.221 1.00 0.00 H new ATOM 841 N GLU A 57 -4.573 -5.538 4.148 1.00 0.00 N ATOM 842 CA GLU A 57 -5.448 -6.578 3.642 1.00 0.00 C ATOM 843 C GLU A 57 -5.622 -6.471 2.124 1.00 0.00 C ATOM 844 O GLU A 57 -5.375 -7.432 1.403 1.00 0.00 O ATOM 845 CB GLU A 57 -6.770 -6.483 4.402 1.00 0.00 C ATOM 846 CG GLU A 57 -7.573 -7.791 4.368 1.00 0.00 C ATOM 847 CD GLU A 57 -8.894 -7.678 5.124 1.00 0.00 C ATOM 848 OE1 GLU A 57 -9.416 -6.544 5.206 1.00 0.00 O ATOM 849 OE2 GLU A 57 -9.365 -8.734 5.599 1.00 0.00 O ATOM 0 H GLU A 57 -5.010 -4.935 4.845 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.012 -7.563 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.569 -6.213 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.372 -5.681 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.772 -8.066 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.976 -8.593 4.802 1.00 0.00 H new ATOM 856 N ILE A 58 -5.997 -5.286 1.638 1.00 0.00 N ATOM 857 CA ILE A 58 -6.065 -4.965 0.208 1.00 0.00 C ATOM 858 C ILE A 58 -4.787 -5.427 -0.505 1.00 0.00 C ATOM 859 O ILE A 58 -4.817 -6.125 -1.521 1.00 0.00 O ATOM 860 CB ILE A 58 -6.248 -3.440 0.046 1.00 0.00 C ATOM 861 CG1 ILE A 58 -7.546 -2.879 0.624 1.00 0.00 C ATOM 862 CG2 ILE A 58 -6.031 -2.905 -1.375 1.00 0.00 C ATOM 863 CD1 ILE A 58 -8.783 -3.524 0.033 1.00 0.00 C ATOM 0 H ILE A 58 -6.267 -4.507 2.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.911 -5.485 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.430 -3.064 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.549 -3.023 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.582 -1.804 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.182 -1.826 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.015 -3.132 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.741 -3.377 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.673 -3.084 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.801 -3.358 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.766 -4.595 0.234 1.00 0.00 H new ATOM 875 N ILE A 59 -3.646 -4.986 0.014 1.00 0.00 N ATOM 876 CA ILE A 59 -2.349 -5.254 -0.573 1.00 0.00 C ATOM 877 C ILE A 59 -2.029 -6.762 -0.524 1.00 0.00 C ATOM 878 O ILE A 59 -1.457 -7.283 -1.479 1.00 0.00 O ATOM 879 CB ILE A 59 -1.318 -4.322 0.094 1.00 0.00 C ATOM 880 CG1 ILE A 59 -1.456 -2.895 -0.457 1.00 0.00 C ATOM 881 CG2 ILE A 59 0.108 -4.826 -0.157 1.00 0.00 C ATOM 882 CD1 ILE A 59 -0.394 -1.959 0.135 1.00 0.00 C ATOM 0 H ILE A 59 -3.601 -4.426 0.865 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.326 -5.024 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.511 -4.317 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.363 -2.912 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.450 -2.510 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.821 -4.155 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.218 -5.828 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.300 -4.854 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.521 -0.958 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.505 -1.922 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.599 -2.331 -0.116 1.00 0.00 H new ATOM 894 N GLU A 60 -2.399 -7.481 0.543 1.00 0.00 N ATOM 895 CA GLU A 60 -2.273 -8.935 0.594 1.00 0.00 C ATOM 896 C GLU A 60 -3.125 -9.561 -0.517 1.00 0.00 C ATOM 897 O GLU A 60 -2.606 -10.320 -1.335 1.00 0.00 O ATOM 898 CB GLU A 60 -2.673 -9.495 1.973 1.00 0.00 C ATOM 899 CG GLU A 60 -1.661 -9.186 3.089 1.00 0.00 C ATOM 900 CD GLU A 60 -2.094 -9.760 4.439 1.00 0.00 C ATOM 901 OE1 GLU A 60 -2.793 -10.793 4.440 1.00 0.00 O ATOM 902 OE2 GLU A 60 -1.723 -9.159 5.474 1.00 0.00 O ATOM 0 H GLU A 60 -2.792 -7.069 1.390 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.226 -9.195 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.644 -9.086 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.794 -10.575 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.688 -9.595 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.539 -8.106 3.178 1.00 0.00 H new ATOM 909 N ASP A 61 -4.420 -9.217 -0.544 1.00 0.00 N ATOM 910 CA ASP A 61 -5.435 -9.727 -1.465 1.00 0.00 C ATOM 911 C ASP A 61 -4.994 -9.624 -2.924 1.00 0.00 C ATOM 912 O ASP A 61 -5.198 -10.558 -3.698 1.00 0.00 O ATOM 913 CB ASP A 61 -6.756 -8.981 -1.244 1.00 0.00 C ATOM 914 CG ASP A 61 -7.828 -9.455 -2.217 1.00 0.00 C ATOM 915 OD1 ASP A 61 -8.428 -10.513 -1.930 1.00 0.00 O ATOM 916 OD2 ASP A 61 -8.032 -8.745 -3.224 1.00 0.00 O ATOM 0 H ASP A 61 -4.804 -8.538 0.113 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.577 -10.787 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.097 -9.136 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.597 -7.910 -1.368 1.00 0.00 H new ATOM 921 N CYS A 62 -4.337 -8.514 -3.286 1.00 0.00 N ATOM 922 CA CYS A 62 -3.732 -8.348 -4.613 1.00 0.00 C ATOM 923 C CYS A 62 -2.908 -9.576 -5.027 1.00 0.00 C ATOM 924 O CYS A 62 -2.851 -9.904 -6.211 1.00 0.00 O ATOM 925 CB CYS A 62 -2.840 -7.107 -4.674 1.00 0.00 C ATOM 926 SG CYS A 62 -3.789 -5.575 -4.628 1.00 0.00 S ATOM 0 H CYS A 62 -4.211 -7.710 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.562 -8.229 -5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.141 -7.124 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.245 -7.135 -5.587 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.369 -5.459 -3.471 1.00 0.00 H new ATOM 932 N GLY A 63 -2.287 -10.254 -4.056 1.00 0.00 N ATOM 933 CA GLY A 63 -1.745 -11.597 -4.192 1.00 0.00 C ATOM 934 C GLY A 63 -0.282 -11.656 -3.765 1.00 0.00 C ATOM 935 O GLY A 63 0.525 -12.280 -4.453 1.00 0.00 O ATOM 0 H GLY A 63 -2.147 -9.863 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.330 -12.289 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.836 -11.924 -5.228 1.00 0.00 H new ATOM 939 N PHE A 64 0.066 -11.017 -2.641 1.00 0.00 N ATOM 940 CA PHE A 64 1.451 -10.912 -2.182 1.00 0.00 C ATOM 941 C PHE A 64 1.511 -10.943 -0.653 1.00 0.00 C ATOM 942 O PHE A 64 0.474 -11.043 0.000 1.00 0.00 O ATOM 943 CB PHE A 64 2.113 -9.630 -2.716 1.00 0.00 C ATOM 944 CG PHE A 64 1.602 -9.093 -4.035 1.00 0.00 C ATOM 945 CD1 PHE A 64 1.937 -9.714 -5.253 1.00 0.00 C ATOM 946 CD2 PHE A 64 0.789 -7.949 -4.039 1.00 0.00 C ATOM 947 CE1 PHE A 64 1.531 -9.138 -6.471 1.00 0.00 C ATOM 948 CE2 PHE A 64 0.394 -7.378 -5.255 1.00 0.00 C ATOM 949 CZ PHE A 64 0.834 -7.915 -6.470 1.00 0.00 C ATOM 0 H PHE A 64 -0.607 -10.559 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 64 2.002 -11.768 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.996 -8.850 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.182 -9.817 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.505 -10.632 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.469 -7.510 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.754 -9.633 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.256 -6.516 -5.255 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.641 -7.396 -7.397 1.00 0.00 H new ATOM 959 N ASP A 65 2.716 -10.811 -0.090 1.00 0.00 N ATOM 960 CA ASP A 65 2.967 -10.885 1.344 1.00 0.00 C ATOM 961 C ASP A 65 3.414 -9.502 1.807 1.00 0.00 C ATOM 962 O ASP A 65 4.487 -9.055 1.414 1.00 0.00 O ATOM 963 CB ASP A 65 4.079 -11.909 1.619 1.00 0.00 C ATOM 964 CG ASP A 65 3.671 -13.339 1.292 1.00 0.00 C ATOM 965 OD1 ASP A 65 3.690 -13.675 0.088 1.00 0.00 O ATOM 966 OD2 ASP A 65 3.375 -14.077 2.256 1.00 0.00 O ATOM 0 H ASP A 65 3.561 -10.646 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 65 2.068 -11.195 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.959 -11.646 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.366 -11.851 2.669 1.00 0.00 H new ATOM 971 N CYS A 66 2.623 -8.802 2.621 1.00 0.00 N ATOM 972 CA CYS A 66 2.991 -7.486 3.138 1.00 0.00 C ATOM 973 C CYS A 66 2.656 -7.343 4.615 1.00 0.00 C ATOM 974 O CYS A 66 1.854 -8.113 5.139 1.00 0.00 O ATOM 975 CB CYS A 66 2.316 -6.368 2.336 1.00 0.00 C ATOM 976 SG CYS A 66 0.648 -6.013 2.935 1.00 0.00 S ATOM 0 H CYS A 66 1.712 -9.131 2.939 1.00 0.00 H new ATOM 0 HA CYS A 66 4.071 -7.395 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.922 -5.464 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.270 -6.653 1.285 1.00 0.00 H new ATOM 0 HG CYS A 66 0.288 -4.828 2.540 1.00 0.00 H new ATOM 982 N GLU A 67 3.259 -6.338 5.259 1.00 0.00 N ATOM 983 CA GLU A 67 2.923 -5.921 6.610 1.00 0.00 C ATOM 984 C GLU A 67 3.162 -4.423 6.770 1.00 0.00 C ATOM 985 O GLU A 67 4.077 -3.865 6.167 1.00 0.00 O ATOM 986 CB GLU A 67 3.731 -6.711 7.653 1.00 0.00 C ATOM 987 CG GLU A 67 2.883 -7.818 8.297 1.00 0.00 C ATOM 988 CD GLU A 67 3.646 -8.602 9.357 1.00 0.00 C ATOM 989 OE1 GLU A 67 4.627 -8.044 9.895 1.00 0.00 O ATOM 990 OE2 GLU A 67 3.212 -9.742 9.627 1.00 0.00 O ATOM 0 H GLU A 67 4.008 -5.786 4.841 1.00 0.00 H new ATOM 0 HA GLU A 67 1.867 -6.131 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.608 -7.152 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.093 -6.032 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.995 -7.374 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.538 -8.503 7.522 1.00 0.00 H new ATOM 997 N ILE A 68 2.345 -3.789 7.615 1.00 0.00 N ATOM 998 CA ILE A 68 2.599 -2.452 8.130 1.00 0.00 C ATOM 999 C ILE A 68 3.971 -2.431 8.793 1.00 0.00 C ATOM 1000 O ILE A 68 4.149 -2.992 9.870 1.00 0.00 O ATOM 1001 CB ILE A 68 1.458 -1.971 9.052 1.00 0.00 C ATOM 1002 CG1 ILE A 68 1.824 -0.593 9.642 1.00 0.00 C ATOM 1003 CG2 ILE A 68 1.062 -2.944 10.176 1.00 0.00 C ATOM 1004 CD1 ILE A 68 0.704 0.019 10.488 1.00 0.00 C ATOM 0 H ILE A 68 1.478 -4.200 7.962 1.00 0.00 H new ATOM 0 HA ILE A 68 2.615 -1.734 7.310 1.00 0.00 H new ATOM 0 HB ILE A 68 0.574 -1.908 8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.720 -0.694 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.070 0.089 8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.253 -2.511 10.764 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.729 -3.886 9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.922 -3.125 10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.026 0.987 10.873 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.186 0.151 9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.474 -0.644 11.322 1.00 0.00 H new ATOM 1016 N LEU A 69 4.944 -1.801 8.133 1.00 0.00 N ATOM 1017 CA LEU A 69 6.304 -1.755 8.625 1.00 0.00 C ATOM 1018 C LEU A 69 6.407 -0.612 9.637 1.00 0.00 C ATOM 1019 O LEU A 69 6.909 -0.825 10.738 1.00 0.00 O ATOM 1020 CB LEU A 69 7.257 -1.727 7.416 1.00 0.00 C ATOM 1021 CG LEU A 69 8.386 -0.693 7.409 1.00 0.00 C ATOM 1022 CD1 LEU A 69 9.478 -1.017 8.432 1.00 0.00 C ATOM 1023 CD2 LEU A 69 8.998 -0.648 6.008 1.00 0.00 C ATOM 0 H LEU A 69 4.804 -1.314 7.248 1.00 0.00 H new ATOM 0 HA LEU A 69 6.610 -2.639 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.709 -2.715 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.655 -1.569 6.521 1.00 0.00 H new ATOM 0 HG LEU A 69 7.962 0.273 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.256 -0.254 8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.045 -1.037 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.912 -1.991 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.805 0.085 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.394 -1.631 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.232 -0.366 5.285 1.00 0.00 H new ATOM 1035 N ARG A 70 5.906 0.583 9.300 1.00 0.00 N ATOM 1036 CA ARG A 70 5.962 1.738 10.192 1.00 0.00 C ATOM 1037 C ARG A 70 5.211 2.925 9.596 1.00 0.00 C ATOM 1038 O ARG A 70 4.951 2.933 8.394 1.00 0.00 O ATOM 1039 CB ARG A 70 7.421 2.147 10.431 1.00 0.00 C ATOM 1040 CG ARG A 70 8.189 2.477 9.129 1.00 0.00 C ATOM 1041 CD ARG A 70 8.746 3.907 9.174 1.00 0.00 C ATOM 1042 NE ARG A 70 10.070 3.974 8.539 1.00 0.00 N ATOM 1043 CZ ARG A 70 11.135 4.618 9.043 1.00 0.00 C ATOM 1044 NH1 ARG A 70 10.988 5.483 10.053 1.00 0.00 N ATOM 1045 NH2 ARG A 70 12.354 4.371 8.549 1.00 0.00 N ATOM 0 H ARG A 70 5.454 0.772 8.405 1.00 0.00 H new ATOM 0 HA ARG A 70 5.493 1.455 11.135 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.444 3.017 11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.936 1.340 10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.005 1.768 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.525 2.367 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.060 4.585 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.817 4.242 10.209 1.00 0.00 H new ATOM 0 HE ARG A 70 10.189 3.494 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.063 5.657 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.801 5.969 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.471 3.696 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.166 4.858 8.928 1.00 0.00 H new ATOM 1059 N ASP A 71 4.902 3.949 10.398 1.00 0.00 N ATOM 1060 CA ASP A 71 4.373 5.196 9.877 1.00 0.00 C ATOM 1061 C ASP A 71 5.462 5.964 9.116 1.00 0.00 C ATOM 1062 O ASP A 71 6.335 6.576 9.729 1.00 0.00 O ATOM 1063 CB ASP A 71 3.712 6.094 10.940 1.00 0.00 C ATOM 1064 CG ASP A 71 3.070 5.411 12.137 1.00 0.00 C ATOM 1065 OD1 ASP A 71 3.719 4.504 12.705 1.00 0.00 O ATOM 1066 OD2 ASP A 71 1.952 5.855 12.493 1.00 0.00 O ATOM 0 H ASP A 71 5.012 3.930 11.412 1.00 0.00 H new ATOM 0 HA ASP A 71 3.573 4.918 9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.468 6.785 11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.948 6.694 10.445 1.00 0.00 H new ATOM 1071 N SER A 72 5.363 5.910 7.788 1.00 0.00 N ATOM 1072 CA SER A 72 5.838 6.845 6.780 1.00 0.00 C ATOM 1073 C SER A 72 7.292 6.636 6.372 1.00 0.00 C ATOM 1074 O SER A 72 8.150 6.648 7.284 1.00 0.00 O ATOM 1075 CB SER A 72 5.629 8.310 7.198 1.00 0.00 C ATOM 1076 OG SER A 72 6.629 8.743 8.102 1.00 0.00 O ATOM 1077 OXT SER A 72 7.515 6.557 5.146 1.00 0.00 O ATOM 0 H SER A 72 4.894 5.118 7.348 1.00 0.00 H new ATOM 0 HA SER A 72 5.223 6.629 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.638 8.946 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.648 8.421 7.660 1.00 0.00 H new ATOM 0 HG SER A 72 6.708 8.098 8.836 1.00 0.00 H new TER 1083 SER A 72 HETATM 1084 CU CU A 73 4.437 -8.825 -10.886 1.00 0.00 CU CONECT 191 1084 CONECT 222 1084 CONECT 1084 191 222 END