USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 643 hydrogens (32 hets) HEADER ELECTRON TRANSPORT 10-JAN-98 1A2S TITLE THE SOLUTION NMR STRUCTURE OF OXIDIZED CYTOCHROME C6 FROM TITLE 2 THE GREEN ALGA MONORAPHIDIUM BRAUNII, MINIMIZED AVERAGE TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C6; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYTOCHROME C552; COMPND 5 OTHER_DETAILS: OXIDIZED FORM SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MONORAPHIDIUM BRAUNII; SOURCE 3 ORGANISM_TAXID: 34112 KEYWDS CYTOCHROME C6, PHOTOSYSTEM I, ELECTRON TRANSPORT, KEYWDS 2 PARAMAGNETIC NMR, SOLUTION STRUCTURE, HEME PROTEIN EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,M.A.DE LA ROSA,D.KOULOUGLIOTIS, AUTHOR 2 J.A.NAVARRO,O.WALTER REVDAT 2 24-FEB-09 1A2S 1 VERSN REVDAT 1 29-APR-98 1A2S 0 JRNL AUTH L.BANCI,I.BERTINI,M.A.DE LA ROSA,D.KOULOUGLIOTIS, JRNL AUTH 2 J.A.NAVARRO,O.WALTER JRNL TITL SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C6 FROM JRNL TITL 2 THE GREEN ALGA MONORAPHIDIUM BRAUNII. JRNL REF BIOCHEMISTRY V. 37 4831 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9538000 JRNL DOI 10.1021/BI972765Y REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A2S 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) : 300 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY, 1D NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX 500, AMX 600, AVANCE 800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, PSEUDYANA, AMBER REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE 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 ALA A 2 152.86 123.98 REMARK 500 ALA A 20 122.08 -39.39 REMARK 500 ASN A 25 -55.82 -120.08 REMARK 500 ASP A 29 -45.97 -160.50 REMARK 500 HIS A 30 94.15 -66.87 REMARK 500 THR A 31 -131.04 -87.24 REMARK 500 LEU A 32 39.34 -145.00 REMARK 500 PHE A 45 84.65 -63.66 REMARK 500 GLN A 53 -50.85 -123.88 REMARK 500 ASP A 69 165.69 47.60 REMARK 500 ASP A 71 -72.88 -78.97 REMARK 500 ASN A 87 17.24 82.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ARG A 67 LEU A 68 -145.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 GLU A 1 121.0 ALPHA-CARBON 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 HEC A 90 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 19 NE2 REMARK 620 2 MET A 61 SD 167.1 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: NUL REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: HEC SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 90 DBREF 1A2S A 1 89 UNP Q09099 CYC6_MONBR 1 89 SEQRES 1 A 89 GLU ALA ASP LEU ALA LEU GLY LYS ALA VAL PHE ASP GLY SEQRES 2 A 89 ASN CYS ALA ALA CYS HIS ALA GLY GLY GLY ASN ASN VAL SEQRES 3 A 89 ILE PRO ASP HIS THR LEU GLN LYS ALA ALA ILE GLU GLN SEQRES 4 A 89 PHE LEU ASP GLY GLY PHE ASN ILE GLU ALA ILE VAL TYR SEQRES 5 A 89 GLN ILE GLU ASN GLY LYS GLY ALA MET PRO ALA TRP ASP SEQRES 6 A 89 GLY ARG LEU ASP GLU ASP GLU ILE ALA GLY VAL ALA ALA SEQRES 7 A 89 TYR VAL TYR ASP GLN ALA ALA GLY ASN LYS TRP HET HEC A 90 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 LEU A 4 ASN A 14 1 11 HELIX 2 2 ALA A 16 HIS A 19 1 4 HELIX 3 3 LYS A 34 PHE A 40 1 7 HELIX 4 4 ILE A 47 ILE A 54 1 8 HELIX 5 5 GLU A 72 GLY A 86 1 15 LINK FE HEC A 90 NE2 HIS A 19 1555 1555 1.98 LINK CAB HEC A 90 SG CYS A 15 1555 1555 1.82 LINK CAC HEC A 90 SG CYS A 18 1555 1555 1.83 LINK FE HEC A 90 SD MET A 61 1555 1555 2.44 SITE *** NUL 1 HEC A 90 SITE *** AC1 19 ASN A 14 CYS A 15 CYS A 18 HIS A 19 SITE *** AC1 19 ASN A 24 ILE A 27 HIS A 30 THR A 31 SITE *** AC1 19 LEU A 32 PHE A 40 LEU A 41 ILE A 50 SITE *** AC1 19 GLN A 53 ILE A 54 LYS A 58 GLY A 59 SITE *** AC1 19 ALA A 60 MET A 61 TRP A 64 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 19 HIS HE2 : A 19 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 18 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 15 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC H2A : A 90 HEC O2A : A 90 HEC CGA :(short bond) USER MOD Set 1.1: A 58 LYS NZ :NH3+ 176:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 90 HEC O2D : rot -130:sc= 1.02 USER MOD Set 2.1: A 53 GLN : amide:sc= -2.18 K(o=-3.4,f=-5.1!) USER MOD Set 2.2: A 61 MET CE :methyl -106:sc= -1.2 (180deg=-2.28) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -121:sc= 1.41 (180deg=0.577) USER MOD Set 3.2: A 87 ASN : amide:sc= 0.399 K(o=1.8,f=-7.7!) USER MOD Single : A 1 GLU N :NH3+ -137:sc= 0.141 (180deg=0.005) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.07) USER MOD Single : A 14 ASN : amide:sc= 0.209 K(o=0.21,f=-0.96) USER MOD Single : A 24 ASN : amide:sc= 1.54 K(o=1.5,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -0.397 K(o=-0.4,f=-3.2!) USER MOD Single : A 30 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot -130:sc= -0.901 USER MOD Single : A 33 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.71) USER MOD Single : A 39 GLN : amide:sc= 1.16 K(o=1.2,f=-0.043) USER MOD Single : A 46 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.061) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.14 K(o=1.1,f=-0.016) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.053) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.529 -3.067 -13.384 1.00 0.00 N ATOM 2 CA GLU A 1 3.979 -1.890 -14.136 1.00 0.00 C ATOM 3 C GLU A 1 3.946 -0.732 -13.150 1.00 0.00 C ATOM 4 O GLU A 1 4.335 -0.984 -12.011 1.00 0.00 O ATOM 5 CB GLU A 1 5.395 -2.126 -14.694 1.00 0.00 C ATOM 6 CG GLU A 1 5.746 -1.192 -15.857 1.00 0.00 C ATOM 7 CD GLU A 1 5.010 -1.597 -17.126 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.800 -1.294 -17.186 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.654 -2.247 -17.972 1.00 0.00 O ATOM 0 H1 GLU A 1 4.133 -3.881 -13.618 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.591 -2.872 -12.364 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.543 -3.284 -13.636 1.00 0.00 H new ATOM 0 HA GLU A 1 3.342 -1.681 -14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.122 -1.989 -13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.480 -3.160 -15.028 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.487 -0.166 -15.595 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.821 -1.214 -16.034 1.00 0.00 H new ATOM 18 N ALA A 2 3.414 0.428 -13.554 1.00 0.00 N ATOM 19 CA ALA A 2 3.133 1.629 -12.760 1.00 0.00 C ATOM 20 C ALA A 2 3.827 2.847 -13.357 1.00 0.00 C ATOM 21 O ALA A 2 4.898 2.725 -13.948 1.00 0.00 O ATOM 22 CB ALA A 2 3.563 1.524 -11.294 1.00 0.00 C ATOM 0 H ALA A 2 3.146 0.561 -14.529 1.00 0.00 H new ATOM 0 HA ALA A 2 2.048 1.732 -12.788 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.321 2.452 -10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.037 0.696 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.638 1.349 -11.242 1.00 0.00 H new ATOM 28 N ASP A 3 3.243 4.024 -13.113 1.00 0.00 N ATOM 29 CA ASP A 3 3.940 5.295 -13.166 1.00 0.00 C ATOM 30 C ASP A 3 3.592 6.041 -11.876 1.00 0.00 C ATOM 31 O ASP A 3 2.413 6.202 -11.535 1.00 0.00 O ATOM 32 CB ASP A 3 3.565 6.088 -14.420 1.00 0.00 C ATOM 33 CG ASP A 3 4.463 7.309 -14.564 1.00 0.00 C ATOM 34 OD1 ASP A 3 4.606 8.035 -13.553 1.00 0.00 O ATOM 35 OD2 ASP A 3 5.002 7.490 -15.673 1.00 0.00 O ATOM 0 H ASP A 3 2.256 4.113 -12.870 1.00 0.00 H new ATOM 0 HA ASP A 3 5.018 5.149 -13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.659 5.453 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.522 6.400 -14.362 1.00 0.00 H new ATOM 40 N LEU A 4 4.630 6.453 -11.143 1.00 0.00 N ATOM 41 CA LEU A 4 4.536 7.211 -9.904 1.00 0.00 C ATOM 42 C LEU A 4 3.572 8.388 -10.047 1.00 0.00 C ATOM 43 O LEU A 4 2.829 8.679 -9.105 1.00 0.00 O ATOM 44 CB LEU A 4 5.937 7.707 -9.509 1.00 0.00 C ATOM 45 CG LEU A 4 6.716 6.758 -8.583 1.00 0.00 C ATOM 46 CD1 LEU A 4 6.260 6.954 -7.137 1.00 0.00 C ATOM 47 CD2 LEU A 4 6.614 5.275 -8.968 1.00 0.00 C ATOM 0 H LEU A 4 5.594 6.257 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 4 4.144 6.561 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.520 7.868 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.840 8.675 -9.017 1.00 0.00 H new ATOM 0 HG LEU A 4 7.767 7.024 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.815 6.279 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.445 7.985 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.194 6.738 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.192 4.676 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.570 4.963 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.008 5.132 -9.974 1.00 0.00 H new ATOM 59 N ALA A 5 3.582 9.048 -11.212 1.00 0.00 N ATOM 60 CA ALA A 5 2.697 10.163 -11.507 1.00 0.00 C ATOM 61 C ALA A 5 1.260 9.823 -11.123 1.00 0.00 C ATOM 62 O ALA A 5 0.622 10.557 -10.368 1.00 0.00 O ATOM 63 CB ALA A 5 2.786 10.500 -12.998 1.00 0.00 C ATOM 0 H ALA A 5 4.214 8.815 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 5 3.006 11.029 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.123 11.336 -13.222 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.811 10.772 -13.249 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.487 9.632 -13.586 1.00 0.00 H new ATOM 69 N LEU A 6 0.760 8.694 -11.630 1.00 0.00 N ATOM 70 CA LEU A 6 -0.595 8.267 -11.343 1.00 0.00 C ATOM 71 C LEU A 6 -0.650 7.756 -9.908 1.00 0.00 C ATOM 72 O LEU A 6 -1.449 8.243 -9.111 1.00 0.00 O ATOM 73 CB LEU A 6 -1.044 7.209 -12.362 1.00 0.00 C ATOM 74 CG LEU A 6 -2.515 6.792 -12.192 1.00 0.00 C ATOM 75 CD1 LEU A 6 -3.486 7.946 -12.477 1.00 0.00 C ATOM 76 CD2 LEU A 6 -2.824 5.633 -13.148 1.00 0.00 C ATOM 0 H LEU A 6 1.280 8.064 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.289 9.102 -11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.897 7.598 -13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.410 6.328 -12.265 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.653 6.490 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.511 7.600 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.287 8.767 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.350 8.291 -13.502 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.866 5.333 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.651 5.953 -14.176 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.175 4.788 -12.917 1.00 0.00 H new ATOM 88 N GLY A 7 0.217 6.794 -9.570 1.00 0.00 N ATOM 89 CA GLY A 7 0.168 6.081 -8.298 1.00 0.00 C ATOM 90 C GLY A 7 0.014 7.020 -7.101 1.00 0.00 C ATOM 91 O GLY A 7 -0.826 6.801 -6.222 1.00 0.00 O ATOM 0 H GLY A 7 0.976 6.490 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.665 5.378 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.079 5.494 -8.180 1.00 0.00 H new ATOM 95 N LYS A 8 0.816 8.087 -7.059 1.00 0.00 N ATOM 96 CA LYS A 8 0.786 8.986 -5.925 1.00 0.00 C ATOM 97 C LYS A 8 -0.511 9.797 -5.929 1.00 0.00 C ATOM 98 O LYS A 8 -1.041 10.109 -4.862 1.00 0.00 O ATOM 99 CB LYS A 8 2.085 9.807 -5.854 1.00 0.00 C ATOM 100 CG LYS A 8 2.123 11.085 -6.707 1.00 0.00 C ATOM 101 CD LYS A 8 2.075 12.359 -5.842 1.00 0.00 C ATOM 102 CE LYS A 8 0.819 12.466 -4.956 1.00 0.00 C ATOM 103 NZ LYS A 8 0.809 13.698 -4.143 1.00 0.00 N ATOM 0 H LYS A 8 1.481 8.339 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 8 0.764 8.426 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.260 10.083 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.913 9.167 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.031 11.091 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.280 11.084 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.960 12.388 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.123 13.231 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.070 12.442 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.767 11.599 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.111 13.793 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.563 13.649 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.968 14.521 -4.758 1.00 0.00 H new ATOM 117 N ALA A 9 -1.031 10.135 -7.116 1.00 0.00 N ATOM 118 CA ALA A 9 -2.246 10.924 -7.235 1.00 0.00 C ATOM 119 C ALA A 9 -3.384 10.217 -6.505 1.00 0.00 C ATOM 120 O ALA A 9 -4.134 10.832 -5.751 1.00 0.00 O ATOM 121 CB ALA A 9 -2.594 11.182 -8.705 1.00 0.00 C ATOM 0 H ALA A 9 -0.619 9.868 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.087 11.898 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.507 11.774 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.778 11.725 -9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.745 10.231 -9.216 1.00 0.00 H new ATOM 127 N VAL A 10 -3.467 8.900 -6.701 1.00 0.00 N ATOM 128 CA VAL A 10 -4.404 8.063 -5.969 1.00 0.00 C ATOM 129 C VAL A 10 -4.066 8.129 -4.480 1.00 0.00 C ATOM 130 O VAL A 10 -4.932 8.461 -3.669 1.00 0.00 O ATOM 131 CB VAL A 10 -4.384 6.610 -6.477 1.00 0.00 C ATOM 132 CG1 VAL A 10 -5.716 5.894 -6.245 1.00 0.00 C ATOM 133 CG2 VAL A 10 -4.017 6.519 -7.958 1.00 0.00 C ATOM 0 H VAL A 10 -2.888 8.391 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.415 8.437 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.612 6.110 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.650 4.873 -6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.938 5.875 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.510 6.424 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.016 5.474 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.747 7.073 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.026 6.945 -8.114 1.00 0.00 H new ATOM 143 N PHE A 11 -2.811 7.819 -4.119 1.00 0.00 N ATOM 144 CA PHE A 11 -2.383 7.712 -2.726 1.00 0.00 C ATOM 145 C PHE A 11 -2.903 8.883 -1.900 1.00 0.00 C ATOM 146 O PHE A 11 -3.541 8.687 -0.865 1.00 0.00 O ATOM 147 CB PHE A 11 -0.856 7.664 -2.643 1.00 0.00 C ATOM 148 CG PHE A 11 -0.315 7.439 -1.246 1.00 0.00 C ATOM 149 CD1 PHE A 11 -0.086 8.536 -0.393 1.00 0.00 C ATOM 150 CD2 PHE A 11 -0.018 6.137 -0.804 1.00 0.00 C ATOM 151 CE1 PHE A 11 0.384 8.326 0.914 1.00 0.00 C ATOM 152 CE2 PHE A 11 0.403 5.926 0.519 1.00 0.00 C ATOM 153 CZ PHE A 11 0.612 7.019 1.376 1.00 0.00 C ATOM 0 H PHE A 11 -2.066 7.636 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.798 6.790 -2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.493 6.868 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.453 8.600 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.272 9.540 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.114 5.301 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.570 9.169 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.566 4.921 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.948 6.855 2.389 1.00 0.00 H new ATOM 163 N ASP A 12 -2.638 10.089 -2.409 1.00 0.00 N ATOM 164 CA ASP A 12 -2.976 11.364 -1.793 1.00 0.00 C ATOM 165 C ASP A 12 -4.423 11.384 -1.282 1.00 0.00 C ATOM 166 O ASP A 12 -4.692 11.818 -0.165 1.00 0.00 O ATOM 167 CB ASP A 12 -2.723 12.476 -2.824 1.00 0.00 C ATOM 168 CG ASP A 12 -2.280 13.776 -2.175 1.00 0.00 C ATOM 169 OD1 ASP A 12 -2.958 14.226 -1.233 1.00 0.00 O ATOM 170 OD2 ASP A 12 -1.238 14.290 -2.642 1.00 0.00 O ATOM 0 H ASP A 12 -2.160 10.203 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.347 11.525 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.960 12.147 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.634 12.651 -3.397 1.00 0.00 H new ATOM 175 N GLY A 13 -5.359 10.872 -2.088 1.00 0.00 N ATOM 176 CA GLY A 13 -6.775 10.904 -1.771 1.00 0.00 C ATOM 177 C GLY A 13 -7.216 9.620 -1.077 1.00 0.00 C ATOM 178 O GLY A 13 -8.158 9.639 -0.289 1.00 0.00 O ATOM 0 H GLY A 13 -5.146 10.424 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.987 11.759 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.352 11.042 -2.686 1.00 0.00 H new ATOM 182 N ASN A 14 -6.581 8.492 -1.414 1.00 0.00 N ATOM 183 CA ASN A 14 -7.113 7.173 -1.114 1.00 0.00 C ATOM 184 C ASN A 14 -6.433 6.563 0.105 1.00 0.00 C ATOM 185 O ASN A 14 -7.100 6.032 0.990 1.00 0.00 O ATOM 186 CB ASN A 14 -6.946 6.228 -2.310 1.00 0.00 C ATOM 187 CG ASN A 14 -7.856 6.572 -3.486 1.00 0.00 C ATOM 188 OD1 ASN A 14 -8.869 5.920 -3.714 1.00 0.00 O ATOM 189 ND2 ASN A 14 -7.472 7.568 -4.277 1.00 0.00 N ATOM 0 H ASN A 14 -5.685 8.476 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.174 7.299 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.908 6.255 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.151 5.207 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.025 7.808 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.624 8.093 -4.061 1.00 0.00 H new ATOM 196 N CYS A 15 -5.099 6.574 0.113 1.00 0.00 N ATOM 197 CA CYS A 15 -4.298 5.810 1.058 1.00 0.00 C ATOM 198 C CYS A 15 -3.843 6.706 2.206 1.00 0.00 C ATOM 199 O CYS A 15 -3.803 6.271 3.358 1.00 0.00 O ATOM 200 CB CYS A 15 -3.085 5.218 0.385 1.00 0.00 C ATOM 201 SG CYS A 15 -3.395 4.266 -1.131 1.00 0.00 S ATOM 0 H CYS A 15 -4.543 7.121 -0.545 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.919 5.001 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.396 6.028 0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.579 4.569 1.100 1.00 0.00 H new ATOM 206 N ALA A 16 -3.489 7.958 1.887 1.00 0.00 N ATOM 207 CA ALA A 16 -2.823 8.886 2.783 1.00 0.00 C ATOM 208 C ALA A 16 -3.654 9.073 4.040 1.00 0.00 C ATOM 209 O ALA A 16 -3.109 9.213 5.132 1.00 0.00 O ATOM 210 CB ALA A 16 -2.623 10.229 2.077 1.00 0.00 C ATOM 0 H ALA A 16 -3.669 8.357 0.965 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.849 8.484 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.123 10.924 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.011 10.084 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.592 10.637 1.789 1.00 0.00 H new ATOM 216 N ALA A 17 -4.979 9.040 3.868 1.00 0.00 N ATOM 217 CA ALA A 17 -5.929 9.187 4.949 1.00 0.00 C ATOM 218 C ALA A 17 -5.586 8.294 6.147 1.00 0.00 C ATOM 219 O ALA A 17 -5.830 8.679 7.291 1.00 0.00 O ATOM 220 CB ALA A 17 -7.348 8.916 4.447 1.00 0.00 C ATOM 0 H ALA A 17 -5.417 8.908 2.956 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.872 10.217 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.053 9.030 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.596 9.624 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.408 7.900 4.056 1.00 0.00 H new ATOM 226 N CYS A 18 -5.015 7.114 5.876 1.00 0.00 N ATOM 227 CA CYS A 18 -4.423 6.265 6.897 1.00 0.00 C ATOM 228 C CYS A 18 -2.901 6.418 6.838 1.00 0.00 C ATOM 229 O CYS A 18 -2.287 6.791 7.833 1.00 0.00 O ATOM 230 CB CYS A 18 -4.923 4.842 6.762 1.00 0.00 C ATOM 231 SG CYS A 18 -6.705 4.837 7.166 1.00 0.00 S ATOM 0 H CYS A 18 -4.954 6.726 4.935 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.732 6.573 7.896 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.760 4.474 5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.377 4.180 7.434 1.00 0.00 H new ATOM 236 N HIS A 19 -2.274 6.143 5.690 1.00 0.00 N ATOM 237 CA HIS A 19 -0.833 5.920 5.623 1.00 0.00 C ATOM 238 C HIS A 19 0.025 7.138 5.256 1.00 0.00 C ATOM 239 O HIS A 19 1.172 6.946 4.847 1.00 0.00 O ATOM 240 CB HIS A 19 -0.543 4.751 4.681 1.00 0.00 C ATOM 241 CG HIS A 19 -1.141 3.444 5.126 1.00 0.00 C ATOM 242 ND1 HIS A 19 -0.619 2.605 6.086 1.00 0.00 N ATOM 243 CD2 HIS A 19 -2.112 2.761 4.452 1.00 0.00 C ATOM 244 CE1 HIS A 19 -1.252 1.422 5.964 1.00 0.00 C ATOM 245 NE2 HIS A 19 -2.177 1.468 4.982 1.00 0.00 N ATOM 0 H HIS A 19 -2.749 6.070 4.790 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.532 5.690 6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.924 4.994 3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.536 4.632 4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.109 2.836 6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.723 3.150 3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.047 0.553 6.571 1.00 0.00 H new ATOM 253 N ALA A 20 -0.472 8.371 5.408 1.00 0.00 N ATOM 254 CA ALA A 20 0.275 9.592 5.097 1.00 0.00 C ATOM 255 C ALA A 20 1.752 9.507 5.508 1.00 0.00 C ATOM 256 O ALA A 20 2.063 9.269 6.673 1.00 0.00 O ATOM 257 CB ALA A 20 -0.379 10.800 5.774 1.00 0.00 C ATOM 0 H ALA A 20 -1.415 8.549 5.754 1.00 0.00 H new ATOM 0 HA ALA A 20 0.246 9.710 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.186 11.701 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.403 10.908 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.386 10.652 6.854 1.00 0.00 H new ATOM 263 N GLY A 21 2.658 9.688 4.540 1.00 0.00 N ATOM 264 CA GLY A 21 4.097 9.673 4.770 1.00 0.00 C ATOM 265 C GLY A 21 4.603 8.325 5.287 1.00 0.00 C ATOM 266 O GLY A 21 5.573 8.279 6.037 1.00 0.00 O ATOM 0 H GLY A 21 2.404 9.850 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.611 9.916 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.353 10.451 5.489 1.00 0.00 H new ATOM 270 N GLY A 22 3.960 7.223 4.890 1.00 0.00 N ATOM 271 CA GLY A 22 4.337 5.902 5.362 1.00 0.00 C ATOM 272 C GLY A 22 3.973 5.771 6.836 1.00 0.00 C ATOM 273 O GLY A 22 4.803 5.379 7.652 1.00 0.00 O ATOM 0 H GLY A 22 3.174 7.228 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.825 5.136 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.407 5.746 5.225 1.00 0.00 H new ATOM 277 N GLY A 23 2.725 6.100 7.164 1.00 0.00 N ATOM 278 CA GLY A 23 2.197 6.056 8.519 1.00 0.00 C ATOM 279 C GLY A 23 1.034 5.074 8.618 1.00 0.00 C ATOM 280 O GLY A 23 0.961 4.093 7.872 1.00 0.00 O ATOM 0 H GLY A 23 2.040 6.411 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.986 5.763 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.865 7.051 8.817 1.00 0.00 H new ATOM 284 N ASN A 24 0.098 5.369 9.520 1.00 0.00 N ATOM 285 CA ASN A 24 -1.174 4.682 9.663 1.00 0.00 C ATOM 286 C ASN A 24 -2.083 5.607 10.469 1.00 0.00 C ATOM 287 O ASN A 24 -1.616 6.620 10.991 1.00 0.00 O ATOM 288 CB ASN A 24 -0.993 3.360 10.411 1.00 0.00 C ATOM 289 CG ASN A 24 -2.059 2.330 10.033 1.00 0.00 C ATOM 290 OD1 ASN A 24 -3.233 2.487 10.366 1.00 0.00 O ATOM 291 ND2 ASN A 24 -1.678 1.266 9.336 1.00 0.00 N ATOM 0 H ASN A 24 0.215 6.124 10.195 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.598 4.454 8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.005 2.954 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.033 3.544 11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.364 0.560 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.700 1.154 9.070 1.00 0.00 H new ATOM 298 N ASN A 25 -3.348 5.221 10.623 1.00 0.00 N ATOM 299 CA ASN A 25 -4.303 5.853 11.522 1.00 0.00 C ATOM 300 C ASN A 25 -4.774 4.802 12.527 1.00 0.00 C ATOM 301 O ASN A 25 -4.628 4.975 13.733 1.00 0.00 O ATOM 302 CB ASN A 25 -5.446 6.449 10.690 1.00 0.00 C ATOM 303 CG ASN A 25 -6.482 7.203 11.518 1.00 0.00 C ATOM 304 OD1 ASN A 25 -6.880 6.772 12.593 1.00 0.00 O ATOM 305 ND2 ASN A 25 -6.948 8.341 11.010 1.00 0.00 N ATOM 0 H ASN A 25 -3.746 4.435 10.108 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.858 6.674 12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.027 7.126 9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.944 5.646 10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.653 8.875 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.600 8.679 10.113 1.00 0.00 H new ATOM 312 N VAL A 26 -5.300 3.685 12.018 1.00 0.00 N ATOM 313 CA VAL A 26 -5.885 2.631 12.832 1.00 0.00 C ATOM 314 C VAL A 26 -4.815 1.925 13.675 1.00 0.00 C ATOM 315 O VAL A 26 -4.997 1.759 14.878 1.00 0.00 O ATOM 316 CB VAL A 26 -6.660 1.650 11.933 1.00 0.00 C ATOM 317 CG1 VAL A 26 -7.382 0.592 12.778 1.00 0.00 C ATOM 318 CG2 VAL A 26 -7.699 2.373 11.063 1.00 0.00 C ATOM 0 H VAL A 26 -5.329 3.490 11.017 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.591 3.072 13.535 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.925 1.173 11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.923 -0.090 12.122 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.651 0.032 13.361 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.085 1.082 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.224 1.646 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.415 2.888 11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.196 3.099 10.424 1.00 0.00 H new ATOM 328 N ILE A 27 -3.716 1.485 13.049 1.00 0.00 N ATOM 329 CA ILE A 27 -2.634 0.766 13.725 1.00 0.00 C ATOM 330 C ILE A 27 -1.350 1.589 13.595 1.00 0.00 C ATOM 331 O ILE A 27 -0.652 1.438 12.593 1.00 0.00 O ATOM 332 CB ILE A 27 -2.441 -0.639 13.119 1.00 0.00 C ATOM 333 CG1 ILE A 27 -3.718 -1.491 13.114 1.00 0.00 C ATOM 334 CG2 ILE A 27 -1.330 -1.397 13.860 1.00 0.00 C ATOM 335 CD1 ILE A 27 -4.204 -1.936 14.497 1.00 0.00 C ATOM 0 H ILE A 27 -3.554 1.620 12.051 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.886 0.634 14.777 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.162 -0.475 12.078 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.514 -0.924 12.631 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.543 -2.377 12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.208 -2.386 13.419 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.394 -0.844 13.776 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.598 -1.499 14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.110 -2.532 14.390 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.431 -2.535 14.979 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.417 -1.059 15.108 1.00 0.00 H new ATOM 347 N PRO A 28 -1.015 2.459 14.561 1.00 0.00 N ATOM 348 CA PRO A 28 0.115 3.377 14.457 1.00 0.00 C ATOM 349 C PRO A 28 1.450 2.654 14.701 1.00 0.00 C ATOM 350 O PRO A 28 2.185 2.993 15.625 1.00 0.00 O ATOM 351 CB PRO A 28 -0.185 4.469 15.492 1.00 0.00 C ATOM 352 CG PRO A 28 -0.923 3.702 16.588 1.00 0.00 C ATOM 353 CD PRO A 28 -1.757 2.700 15.790 1.00 0.00 C ATOM 0 HA PRO A 28 0.227 3.804 13.460 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.727 4.933 15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.799 5.266 15.073 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.233 3.204 17.269 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.548 4.359 17.192 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.899 1.775 16.349 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.749 3.098 15.577 1.00 0.00 H new ATOM 361 N ASP A 29 1.757 1.667 13.852 1.00 0.00 N ATOM 362 CA ASP A 29 2.970 0.850 13.895 1.00 0.00 C ATOM 363 C ASP A 29 3.185 0.192 12.524 1.00 0.00 C ATOM 364 O ASP A 29 4.265 0.244 11.940 1.00 0.00 O ATOM 365 CB ASP A 29 2.841 -0.201 15.003 1.00 0.00 C ATOM 366 CG ASP A 29 4.085 -1.072 15.067 1.00 0.00 C ATOM 367 OD1 ASP A 29 4.105 -2.074 14.324 1.00 0.00 O ATOM 368 OD2 ASP A 29 4.989 -0.721 15.855 1.00 0.00 O ATOM 0 H ASP A 29 1.139 1.406 13.084 1.00 0.00 H new ATOM 0 HA ASP A 29 3.836 1.473 14.118 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.687 0.292 15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.965 -0.823 14.820 1.00 0.00 H new ATOM 373 N HIS A 30 2.106 -0.367 11.976 1.00 0.00 N ATOM 374 CA HIS A 30 2.009 -0.845 10.606 1.00 0.00 C ATOM 375 C HIS A 30 2.087 0.340 9.631 1.00 0.00 C ATOM 376 O HIS A 30 1.077 0.983 9.360 1.00 0.00 O ATOM 377 CB HIS A 30 0.662 -1.560 10.466 1.00 0.00 C ATOM 378 CG HIS A 30 0.581 -2.943 11.058 1.00 0.00 C ATOM 379 ND1 HIS A 30 -0.082 -3.994 10.477 1.00 0.00 N ATOM 380 CD2 HIS A 30 0.939 -3.335 12.320 1.00 0.00 C ATOM 381 CE1 HIS A 30 -0.198 -4.964 11.400 1.00 0.00 C ATOM 382 NE2 HIS A 30 0.415 -4.611 12.540 1.00 0.00 N ATOM 0 H HIS A 30 1.242 -0.503 12.501 1.00 0.00 H new ATOM 0 HA HIS A 30 2.828 -1.525 10.374 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -0.105 -0.942 10.933 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.417 -1.626 9.406 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -0.425 -4.032 9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.524 -2.759 13.022 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.714 -5.900 11.245 1.00 0.00 H new ATOM 390 N THR A 31 3.280 0.656 9.125 1.00 0.00 N ATOM 391 CA THR A 31 3.526 1.802 8.253 1.00 0.00 C ATOM 392 C THR A 31 3.275 1.413 6.785 1.00 0.00 C ATOM 393 O THR A 31 2.260 0.793 6.480 1.00 0.00 O ATOM 394 CB THR A 31 4.974 2.242 8.476 1.00 0.00 C ATOM 395 OG1 THR A 31 5.794 1.129 8.202 1.00 0.00 O ATOM 396 CG2 THR A 31 5.307 2.763 9.860 1.00 0.00 C ATOM 0 H THR A 31 4.120 0.109 9.315 1.00 0.00 H new ATOM 0 HA THR A 31 2.850 2.625 8.485 1.00 0.00 H new ATOM 0 HB THR A 31 5.142 3.091 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.423 0.996 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.359 3.044 9.899 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.690 3.635 10.079 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.111 1.985 10.598 1.00 0.00 H new ATOM 404 N LEU A 32 4.216 1.731 5.878 1.00 0.00 N ATOM 405 CA LEU A 32 4.413 1.050 4.615 1.00 0.00 C ATOM 406 C LEU A 32 5.897 1.009 4.272 1.00 0.00 C ATOM 407 O LEU A 32 6.266 1.184 3.116 1.00 0.00 O ATOM 408 CB LEU A 32 3.668 1.773 3.474 1.00 0.00 C ATOM 409 CG LEU A 32 2.165 2.008 3.640 1.00 0.00 C ATOM 410 CD1 LEU A 32 1.671 2.992 2.577 1.00 0.00 C ATOM 411 CD2 LEU A 32 1.405 0.696 3.472 1.00 0.00 C ATOM 0 H LEU A 32 4.875 2.496 6.022 1.00 0.00 H new ATOM 0 HA LEU A 32 4.019 0.039 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.144 2.742 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.818 1.199 2.559 1.00 0.00 H new ATOM 0 HG LEU A 32 1.989 2.413 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.600 3.155 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.197 3.940 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.863 2.583 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.337 0.876 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.595 0.290 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.740 -0.017 4.225 1.00 0.00 H new ATOM 423 N GLN A 33 6.756 0.789 5.263 1.00 0.00 N ATOM 424 CA GLN A 33 8.175 0.482 5.028 1.00 0.00 C ATOM 425 C GLN A 33 8.460 -1.004 5.288 1.00 0.00 C ATOM 426 O GLN A 33 7.635 -1.710 5.871 1.00 0.00 O ATOM 427 CB GLN A 33 9.076 1.391 5.870 1.00 0.00 C ATOM 428 CG GLN A 33 8.469 1.495 7.261 1.00 0.00 C ATOM 429 CD GLN A 33 9.507 1.649 8.361 1.00 0.00 C ATOM 430 OE1 GLN A 33 9.602 0.814 9.251 1.00 0.00 O ATOM 431 NE2 GLN A 33 10.304 2.711 8.306 1.00 0.00 N ATOM 0 H GLN A 33 6.496 0.817 6.249 1.00 0.00 H new ATOM 0 HA GLN A 33 8.403 0.680 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.085 0.983 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.155 2.378 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.790 2.347 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.872 0.604 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.199 3.389 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.021 2.848 9.019 1.00 0.00 H new ATOM 440 N LYS A 34 9.629 -1.489 4.842 1.00 0.00 N ATOM 441 CA LYS A 34 9.874 -2.925 4.789 1.00 0.00 C ATOM 442 C LYS A 34 9.749 -3.611 6.151 1.00 0.00 C ATOM 443 O LYS A 34 9.132 -4.666 6.239 1.00 0.00 O ATOM 444 CB LYS A 34 11.095 -3.327 3.933 1.00 0.00 C ATOM 445 CG LYS A 34 12.495 -3.220 4.560 1.00 0.00 C ATOM 446 CD LYS A 34 13.480 -2.307 3.808 1.00 0.00 C ATOM 447 CE LYS A 34 12.953 -0.871 3.741 1.00 0.00 C ATOM 448 NZ LYS A 34 13.921 0.114 3.198 1.00 0.00 N ATOM 0 H LYS A 34 10.405 -0.911 4.519 1.00 0.00 H new ATOM 0 HA LYS A 34 9.046 -3.348 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.952 -4.360 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.086 -2.712 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.392 -2.853 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.925 -4.219 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.448 -2.320 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.637 -2.688 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.054 -0.856 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.659 -0.558 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.097 0.855 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.815 -0.367 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.531 0.545 2.336 1.00 0.00 H new ATOM 462 N ALA A 35 10.209 -2.959 7.225 1.00 0.00 N ATOM 463 CA ALA A 35 10.089 -3.502 8.576 1.00 0.00 C ATOM 464 C ALA A 35 8.636 -3.823 8.951 1.00 0.00 C ATOM 465 O ALA A 35 8.399 -4.713 9.765 1.00 0.00 O ATOM 466 CB ALA A 35 10.692 -2.526 9.588 1.00 0.00 C ATOM 0 H ALA A 35 10.670 -2.050 7.180 1.00 0.00 H new ATOM 0 HA ALA A 35 10.641 -4.441 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.598 -2.939 10.592 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.746 -2.368 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.163 -1.575 9.536 1.00 0.00 H new ATOM 472 N ALA A 36 7.668 -3.104 8.372 1.00 0.00 N ATOM 473 CA ALA A 36 6.259 -3.392 8.554 1.00 0.00 C ATOM 474 C ALA A 36 5.861 -4.474 7.560 1.00 0.00 C ATOM 475 O ALA A 36 5.489 -5.574 7.963 1.00 0.00 O ATOM 476 CB ALA A 36 5.423 -2.120 8.371 1.00 0.00 C ATOM 0 H ALA A 36 7.850 -2.306 7.764 1.00 0.00 H new ATOM 0 HA ALA A 36 6.073 -3.750 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.368 -2.355 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.729 -1.375 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.577 -1.725 7.367 1.00 0.00 H new ATOM 482 N ILE A 37 5.947 -4.162 6.261 1.00 0.00 N ATOM 483 CA ILE A 37 5.447 -5.033 5.202 1.00 0.00 C ATOM 484 C ILE A 37 5.980 -6.465 5.389 1.00 0.00 C ATOM 485 O ILE A 37 5.178 -7.392 5.446 1.00 0.00 O ATOM 486 CB ILE A 37 5.736 -4.427 3.813 1.00 0.00 C ATOM 487 CG1 ILE A 37 5.159 -3.004 3.696 1.00 0.00 C ATOM 488 CG2 ILE A 37 5.191 -5.325 2.690 1.00 0.00 C ATOM 489 CD1 ILE A 37 5.083 -2.454 2.269 1.00 0.00 C ATOM 0 H ILE A 37 6.366 -3.297 5.919 1.00 0.00 H new ATOM 0 HA ILE A 37 4.361 -5.107 5.268 1.00 0.00 H new ATOM 0 HB ILE A 37 6.819 -4.365 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.157 -2.997 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.769 -2.330 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.410 -4.872 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.664 -6.306 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.113 -5.435 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.664 -1.448 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.083 -2.422 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.447 -3.100 1.663 1.00 0.00 H new ATOM 501 N GLU A 38 7.298 -6.657 5.546 1.00 0.00 N ATOM 502 CA GLU A 38 7.921 -7.971 5.722 1.00 0.00 C ATOM 503 C GLU A 38 7.146 -8.900 6.662 1.00 0.00 C ATOM 504 O GLU A 38 7.073 -10.096 6.387 1.00 0.00 O ATOM 505 CB GLU A 38 9.366 -7.833 6.226 1.00 0.00 C ATOM 506 CG GLU A 38 10.344 -7.423 5.121 1.00 0.00 C ATOM 507 CD GLU A 38 11.751 -7.262 5.677 1.00 0.00 C ATOM 508 OE1 GLU A 38 12.379 -8.312 5.928 1.00 0.00 O ATOM 509 OE2 GLU A 38 12.169 -6.095 5.840 1.00 0.00 O ATOM 0 H GLU A 38 7.969 -5.889 5.554 1.00 0.00 H new ATOM 0 HA GLU A 38 7.910 -8.429 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.398 -7.093 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.688 -8.781 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.344 -8.175 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.017 -6.486 4.669 1.00 0.00 H new ATOM 516 N GLN A 39 6.606 -8.370 7.766 1.00 0.00 N ATOM 517 CA GLN A 39 5.898 -9.186 8.749 1.00 0.00 C ATOM 518 C GLN A 39 4.382 -9.010 8.653 1.00 0.00 C ATOM 519 O GLN A 39 3.640 -9.989 8.667 1.00 0.00 O ATOM 520 CB GLN A 39 6.460 -8.945 10.158 1.00 0.00 C ATOM 521 CG GLN A 39 6.394 -7.489 10.633 1.00 0.00 C ATOM 522 CD GLN A 39 7.120 -7.306 11.961 1.00 0.00 C ATOM 523 OE1 GLN A 39 6.920 -8.073 12.898 1.00 0.00 O ATOM 524 NE2 GLN A 39 7.990 -6.306 12.054 1.00 0.00 N ATOM 0 H GLN A 39 6.648 -7.378 7.998 1.00 0.00 H new ATOM 0 HA GLN A 39 6.076 -10.237 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.912 -9.569 10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.499 -9.274 10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.839 -6.838 9.880 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.352 -7.186 10.741 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.137 -5.683 11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.510 -6.162 12.919 1.00 0.00 H new ATOM 533 N PHE A 40 3.907 -7.767 8.579 1.00 0.00 N ATOM 534 CA PHE A 40 2.490 -7.465 8.688 1.00 0.00 C ATOM 535 C PHE A 40 1.733 -7.666 7.370 1.00 0.00 C ATOM 536 O PHE A 40 0.522 -7.872 7.398 1.00 0.00 O ATOM 537 CB PHE A 40 2.292 -6.063 9.271 1.00 0.00 C ATOM 538 CG PHE A 40 2.976 -5.788 10.601 1.00 0.00 C ATOM 539 CD1 PHE A 40 2.837 -6.677 11.685 1.00 0.00 C ATOM 540 CD2 PHE A 40 3.662 -4.574 10.787 1.00 0.00 C ATOM 541 CE1 PHE A 40 3.416 -6.369 12.929 1.00 0.00 C ATOM 542 CE2 PHE A 40 4.242 -4.267 12.029 1.00 0.00 C ATOM 543 CZ PHE A 40 4.118 -5.164 13.101 1.00 0.00 C ATOM 0 H PHE A 40 4.497 -6.946 8.442 1.00 0.00 H new ATOM 0 HA PHE A 40 2.051 -8.184 9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.651 -5.335 8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.223 -5.890 9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.285 -7.597 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.743 -3.873 9.969 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.321 -7.060 13.754 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.783 -3.341 12.159 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.562 -4.928 14.057 1.00 0.00 H new ATOM 553 N LEU A 41 2.409 -7.642 6.217 1.00 0.00 N ATOM 554 CA LEU A 41 1.797 -8.038 4.952 1.00 0.00 C ATOM 555 C LEU A 41 1.929 -9.561 4.860 1.00 0.00 C ATOM 556 O LEU A 41 3.016 -10.071 4.598 1.00 0.00 O ATOM 557 CB LEU A 41 2.500 -7.290 3.804 1.00 0.00 C ATOM 558 CG LEU A 41 2.067 -7.510 2.338 1.00 0.00 C ATOM 559 CD1 LEU A 41 1.340 -8.819 2.036 1.00 0.00 C ATOM 560 CD2 LEU A 41 1.220 -6.346 1.833 1.00 0.00 C ATOM 0 H LEU A 41 3.383 -7.351 6.137 1.00 0.00 H new ATOM 0 HA LEU A 41 0.741 -7.777 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.405 -6.224 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.561 -7.533 3.865 1.00 0.00 H new ATOM 0 HG LEU A 41 3.016 -7.571 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.087 -8.859 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.986 -9.660 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.427 -8.873 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.930 -6.529 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.326 -6.252 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.798 -5.424 1.890 1.00 0.00 H new ATOM 572 N ASP A 42 0.825 -10.287 5.063 1.00 0.00 N ATOM 573 CA ASP A 42 0.776 -11.732 4.865 1.00 0.00 C ATOM 574 C ASP A 42 1.169 -12.063 3.418 1.00 0.00 C ATOM 575 O ASP A 42 0.474 -11.658 2.486 1.00 0.00 O ATOM 576 CB ASP A 42 -0.626 -12.252 5.201 1.00 0.00 C ATOM 577 CG ASP A 42 -0.651 -13.774 5.206 1.00 0.00 C ATOM 578 OD1 ASP A 42 -0.430 -14.355 4.124 1.00 0.00 O ATOM 579 OD2 ASP A 42 -0.878 -14.327 6.303 1.00 0.00 O ATOM 0 H ASP A 42 -0.060 -9.884 5.370 1.00 0.00 H new ATOM 0 HA ASP A 42 1.484 -12.225 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.934 -11.876 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.343 -11.874 4.472 1.00 0.00 H new ATOM 584 N GLY A 43 2.326 -12.707 3.234 1.00 0.00 N ATOM 585 CA GLY A 43 2.962 -12.906 1.935 1.00 0.00 C ATOM 586 C GLY A 43 4.399 -12.377 1.935 1.00 0.00 C ATOM 587 O GLY A 43 5.239 -12.863 1.181 1.00 0.00 O ATOM 0 H GLY A 43 2.856 -13.113 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.962 -13.967 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.385 -12.398 1.163 1.00 0.00 H new ATOM 591 N GLY A 44 4.695 -11.397 2.792 1.00 0.00 N ATOM 592 CA GLY A 44 6.020 -10.816 2.925 1.00 0.00 C ATOM 593 C GLY A 44 6.304 -9.793 1.825 1.00 0.00 C ATOM 594 O GLY A 44 5.495 -9.584 0.918 1.00 0.00 O ATOM 0 H GLY A 44 4.006 -10.983 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.110 -10.336 3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.769 -11.607 2.888 1.00 0.00 H new ATOM 598 N PHE A 45 7.470 -9.145 1.914 1.00 0.00 N ATOM 599 CA PHE A 45 7.843 -7.997 1.095 1.00 0.00 C ATOM 600 C PHE A 45 7.939 -8.342 -0.393 1.00 0.00 C ATOM 601 O PHE A 45 9.027 -8.623 -0.891 1.00 0.00 O ATOM 602 CB PHE A 45 9.155 -7.390 1.618 1.00 0.00 C ATOM 603 CG PHE A 45 9.372 -5.963 1.169 1.00 0.00 C ATOM 604 CD1 PHE A 45 10.001 -5.651 -0.050 1.00 0.00 C ATOM 605 CD2 PHE A 45 8.858 -4.936 1.968 1.00 0.00 C ATOM 606 CE1 PHE A 45 10.118 -4.306 -0.449 1.00 0.00 C ATOM 607 CE2 PHE A 45 8.857 -3.611 1.510 1.00 0.00 C ATOM 608 CZ PHE A 45 9.517 -3.291 0.316 1.00 0.00 C ATOM 0 H PHE A 45 8.197 -9.415 2.577 1.00 0.00 H new ATOM 0 HA PHE A 45 7.049 -7.255 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.155 -7.425 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.991 -8.002 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.392 -6.439 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.459 -5.166 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.669 -4.054 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.351 -2.842 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.564 -2.265 -0.017 1.00 0.00 H new ATOM 618 N ASN A 46 6.810 -8.313 -1.108 1.00 0.00 N ATOM 619 CA ASN A 46 6.757 -8.578 -2.540 1.00 0.00 C ATOM 620 C ASN A 46 5.724 -7.670 -3.183 1.00 0.00 C ATOM 621 O ASN A 46 4.704 -7.341 -2.574 1.00 0.00 O ATOM 622 CB ASN A 46 6.374 -10.026 -2.855 1.00 0.00 C ATOM 623 CG ASN A 46 7.270 -11.048 -2.179 1.00 0.00 C ATOM 624 OD1 ASN A 46 8.161 -11.636 -2.782 1.00 0.00 O ATOM 625 ND2 ASN A 46 6.998 -11.271 -0.902 1.00 0.00 N ATOM 0 H ASN A 46 5.900 -8.102 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 46 7.756 -8.392 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.343 -10.197 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.412 -10.178 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.540 -11.957 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.246 -10.756 -0.443 1.00 0.00 H new ATOM 632 N ILE A 47 5.968 -7.315 -4.441 1.00 0.00 N ATOM 633 CA ILE A 47 5.020 -6.529 -5.219 1.00 0.00 C ATOM 634 C ILE A 47 3.765 -7.365 -5.439 1.00 0.00 C ATOM 635 O ILE A 47 2.656 -6.889 -5.231 1.00 0.00 O ATOM 636 CB ILE A 47 5.630 -5.989 -6.533 1.00 0.00 C ATOM 637 CG1 ILE A 47 4.595 -5.222 -7.381 1.00 0.00 C ATOM 638 CG2 ILE A 47 6.228 -7.084 -7.422 1.00 0.00 C ATOM 639 CD1 ILE A 47 4.341 -3.815 -6.836 1.00 0.00 C ATOM 0 H ILE A 47 6.820 -7.562 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 47 4.751 -5.632 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 47 6.426 -5.321 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.947 -5.154 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.658 -5.778 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.638 -6.635 -8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.022 -7.599 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.450 -7.798 -7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.606 -3.309 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.963 -3.883 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.273 -3.249 -6.841 1.00 0.00 H new ATOM 651 N GLU A 48 3.930 -8.623 -5.830 1.00 0.00 N ATOM 652 CA GLU A 48 2.836 -9.525 -6.125 1.00 0.00 C ATOM 653 C GLU A 48 1.930 -9.663 -4.902 1.00 0.00 C ATOM 654 O GLU A 48 0.709 -9.669 -5.030 1.00 0.00 O ATOM 655 CB GLU A 48 3.405 -10.870 -6.592 1.00 0.00 C ATOM 656 CG GLU A 48 4.424 -10.678 -7.731 1.00 0.00 C ATOM 657 CD GLU A 48 5.874 -10.731 -7.253 1.00 0.00 C ATOM 658 OE1 GLU A 48 6.192 -9.947 -6.330 1.00 0.00 O ATOM 659 OE2 GLU A 48 6.632 -11.544 -7.817 1.00 0.00 O ATOM 0 H GLU A 48 4.849 -9.048 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 48 2.220 -9.127 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.884 -11.376 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.593 -11.513 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.268 -11.450 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.242 -9.719 -8.215 1.00 0.00 H new ATOM 666 N ALA A 49 2.531 -9.725 -3.711 1.00 0.00 N ATOM 667 CA ALA A 49 1.790 -9.776 -2.462 1.00 0.00 C ATOM 668 C ALA A 49 0.979 -8.493 -2.271 1.00 0.00 C ATOM 669 O ALA A 49 -0.212 -8.558 -2.010 1.00 0.00 O ATOM 670 CB ALA A 49 2.743 -10.034 -1.292 1.00 0.00 C ATOM 0 H ALA A 49 3.544 -9.741 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 49 1.082 -10.604 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.176 -10.070 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.254 -10.985 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.478 -9.231 -1.238 1.00 0.00 H new ATOM 676 N ILE A 50 1.606 -7.324 -2.418 1.00 0.00 N ATOM 677 CA ILE A 50 0.976 -6.020 -2.278 1.00 0.00 C ATOM 678 C ILE A 50 -0.179 -5.903 -3.271 1.00 0.00 C ATOM 679 O ILE A 50 -1.285 -5.565 -2.864 1.00 0.00 O ATOM 680 CB ILE A 50 2.066 -4.920 -2.332 1.00 0.00 C ATOM 681 CG1 ILE A 50 1.952 -3.980 -1.124 1.00 0.00 C ATOM 682 CG2 ILE A 50 2.037 -4.078 -3.597 1.00 0.00 C ATOM 683 CD1 ILE A 50 3.047 -2.906 -1.085 1.00 0.00 C ATOM 0 H ILE A 50 2.598 -7.263 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 50 0.503 -5.883 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 50 3.012 -5.462 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.977 -3.494 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.998 -4.569 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.831 -3.332 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.187 -4.720 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.072 -3.577 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.908 -2.276 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.025 -3.385 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.987 -2.293 -1.984 1.00 0.00 H new ATOM 695 N VAL A 51 0.033 -6.257 -4.541 1.00 0.00 N ATOM 696 CA VAL A 51 -1.034 -6.347 -5.529 1.00 0.00 C ATOM 697 C VAL A 51 -2.155 -7.236 -4.972 1.00 0.00 C ATOM 698 O VAL A 51 -3.283 -6.789 -4.784 1.00 0.00 O ATOM 699 CB VAL A 51 -0.459 -6.849 -6.868 1.00 0.00 C ATOM 700 CG1 VAL A 51 -1.553 -7.295 -7.847 1.00 0.00 C ATOM 701 CG2 VAL A 51 0.370 -5.735 -7.525 1.00 0.00 C ATOM 0 H VAL A 51 0.955 -6.489 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.470 -5.368 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 51 0.164 -7.715 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.094 -7.639 -8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.129 -8.107 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.215 -6.456 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.775 -6.093 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.265 -4.868 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.189 -5.453 -6.863 1.00 0.00 H new ATOM 711 N TYR A 52 -1.823 -8.482 -4.632 1.00 0.00 N ATOM 712 CA TYR A 52 -2.777 -9.489 -4.186 1.00 0.00 C ATOM 713 C TYR A 52 -3.238 -9.288 -2.730 1.00 0.00 C ATOM 714 O TYR A 52 -3.865 -10.184 -2.168 1.00 0.00 O ATOM 715 CB TYR A 52 -2.127 -10.868 -4.413 1.00 0.00 C ATOM 716 CG TYR A 52 -2.994 -12.097 -4.194 1.00 0.00 C ATOM 717 CD1 TYR A 52 -4.243 -12.211 -4.830 1.00 0.00 C ATOM 718 CD2 TYR A 52 -2.499 -13.181 -3.443 1.00 0.00 C ATOM 719 CE1 TYR A 52 -5.018 -13.373 -4.674 1.00 0.00 C ATOM 720 CE2 TYR A 52 -3.258 -14.358 -3.317 1.00 0.00 C ATOM 721 CZ TYR A 52 -4.522 -14.449 -3.920 1.00 0.00 C ATOM 722 OH TYR A 52 -5.246 -15.598 -3.808 1.00 0.00 O ATOM 0 H TYR A 52 -0.862 -8.823 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.695 -9.403 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.752 -10.899 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.262 -10.945 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.609 -11.400 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.534 -13.108 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.993 -13.438 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.867 -15.194 -2.755 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.757 -16.240 -3.253 1.00 0.00 H new ATOM 732 N GLN A 53 -2.979 -8.134 -2.100 1.00 0.00 N ATOM 733 CA GLN A 53 -3.389 -7.829 -0.746 1.00 0.00 C ATOM 734 C GLN A 53 -4.196 -6.549 -0.831 1.00 0.00 C ATOM 735 O GLN A 53 -5.325 -6.541 -0.375 1.00 0.00 O ATOM 736 CB GLN A 53 -2.186 -7.737 0.209 1.00 0.00 C ATOM 737 CG GLN A 53 -2.605 -7.914 1.675 1.00 0.00 C ATOM 738 CD GLN A 53 -3.047 -6.611 2.332 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.172 -6.153 2.159 1.00 0.00 O ATOM 740 NE2 GLN A 53 -2.182 -6.018 3.146 1.00 0.00 N ATOM 0 H GLN A 53 -2.463 -7.373 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.000 -8.625 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.454 -8.501 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.697 -6.771 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.420 -8.636 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.770 -8.333 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.251 -6.414 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.448 -5.167 3.640 1.00 0.00 H new ATOM 749 N ILE A 54 -3.685 -5.498 -1.476 1.00 0.00 N ATOM 750 CA ILE A 54 -4.414 -4.258 -1.690 1.00 0.00 C ATOM 751 C ILE A 54 -5.834 -4.542 -2.201 1.00 0.00 C ATOM 752 O ILE A 54 -6.813 -4.014 -1.673 1.00 0.00 O ATOM 753 CB ILE A 54 -3.565 -3.314 -2.584 1.00 0.00 C ATOM 754 CG1 ILE A 54 -3.695 -1.814 -2.339 1.00 0.00 C ATOM 755 CG2 ILE A 54 -3.824 -3.433 -4.088 1.00 0.00 C ATOM 756 CD1 ILE A 54 -3.848 -1.425 -0.886 1.00 0.00 C ATOM 0 H ILE A 54 -2.743 -5.490 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.566 -3.728 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.583 -3.679 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.815 -1.315 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.556 -1.442 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.183 -2.733 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.606 -4.449 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.868 -3.201 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.934 -0.341 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.745 -1.891 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.976 -1.762 -0.325 1.00 0.00 H new ATOM 768 N GLU A 55 -5.970 -5.438 -3.181 1.00 0.00 N ATOM 769 CA GLU A 55 -7.285 -5.806 -3.674 1.00 0.00 C ATOM 770 C GLU A 55 -8.102 -6.592 -2.639 1.00 0.00 C ATOM 771 O GLU A 55 -9.313 -6.415 -2.567 1.00 0.00 O ATOM 772 CB GLU A 55 -7.161 -6.518 -5.024 1.00 0.00 C ATOM 773 CG GLU A 55 -6.473 -7.889 -4.968 1.00 0.00 C ATOM 774 CD GLU A 55 -6.181 -8.430 -6.365 1.00 0.00 C ATOM 775 OE1 GLU A 55 -6.356 -7.667 -7.338 1.00 0.00 O ATOM 776 OE2 GLU A 55 -5.786 -9.612 -6.433 1.00 0.00 O ATOM 0 H GLU A 55 -5.192 -5.913 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.858 -4.894 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.158 -6.645 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.606 -5.876 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.542 -7.807 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.108 -8.593 -4.430 1.00 0.00 H new ATOM 783 N ASN A 56 -7.471 -7.446 -1.824 1.00 0.00 N ATOM 784 CA ASN A 56 -8.188 -8.382 -0.962 1.00 0.00 C ATOM 785 C ASN A 56 -8.612 -7.693 0.331 1.00 0.00 C ATOM 786 O ASN A 56 -9.706 -7.942 0.830 1.00 0.00 O ATOM 787 CB ASN A 56 -7.344 -9.638 -0.686 1.00 0.00 C ATOM 788 CG ASN A 56 -7.539 -10.697 -1.771 1.00 0.00 C ATOM 789 OD1 ASN A 56 -8.614 -11.276 -1.886 1.00 0.00 O ATOM 790 ND2 ASN A 56 -6.515 -10.982 -2.569 1.00 0.00 N ATOM 0 H ASN A 56 -6.456 -7.505 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.090 -8.709 -1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.291 -9.364 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.617 -10.055 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.615 -11.693 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.629 -10.489 -2.457 1.00 0.00 H new ATOM 797 N GLY A 57 -7.754 -6.825 0.871 1.00 0.00 N ATOM 798 CA GLY A 57 -8.091 -6.020 2.042 1.00 0.00 C ATOM 799 C GLY A 57 -7.820 -6.791 3.333 1.00 0.00 C ATOM 800 O GLY A 57 -8.702 -7.432 3.899 1.00 0.00 O ATOM 0 H GLY A 57 -6.814 -6.663 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.508 -5.099 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.141 -5.732 2.000 1.00 0.00 H new ATOM 804 N LYS A 58 -6.573 -6.738 3.796 1.00 0.00 N ATOM 805 CA LYS A 58 -6.121 -7.491 4.966 1.00 0.00 C ATOM 806 C LYS A 58 -6.452 -6.754 6.265 1.00 0.00 C ATOM 807 O LYS A 58 -5.924 -5.677 6.519 1.00 0.00 O ATOM 808 CB LYS A 58 -4.623 -7.756 4.829 1.00 0.00 C ATOM 809 CG LYS A 58 -3.968 -8.491 6.006 1.00 0.00 C ATOM 810 CD LYS A 58 -3.268 -7.480 6.927 1.00 0.00 C ATOM 811 CE LYS A 58 -2.373 -8.149 7.968 1.00 0.00 C ATOM 812 NZ LYS A 58 -3.125 -8.705 9.105 1.00 0.00 N ATOM 0 H LYS A 58 -5.843 -6.168 3.368 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.648 -8.444 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.457 -8.339 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.115 -6.802 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.722 -9.045 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.247 -9.219 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.668 -6.799 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.020 -6.877 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.805 -8.947 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.651 -7.422 8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.472 -9.204 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.592 -7.934 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.843 -9.371 8.754 1.00 0.00 H new ATOM 826 N GLY A 59 -7.251 -7.370 7.137 1.00 0.00 N ATOM 827 CA GLY A 59 -7.504 -6.867 8.470 1.00 0.00 C ATOM 828 C GLY A 59 -8.330 -5.593 8.408 1.00 0.00 C ATOM 829 O GLY A 59 -9.280 -5.484 7.636 1.00 0.00 O ATOM 0 H GLY A 59 -7.741 -8.240 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.030 -7.621 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.559 -6.671 8.977 1.00 0.00 H new ATOM 833 N ALA A 60 -7.951 -4.615 9.225 1.00 0.00 N ATOM 834 CA ALA A 60 -8.660 -3.348 9.355 1.00 0.00 C ATOM 835 C ALA A 60 -8.313 -2.409 8.197 1.00 0.00 C ATOM 836 O ALA A 60 -7.937 -1.258 8.419 1.00 0.00 O ATOM 837 CB ALA A 60 -8.339 -2.720 10.716 1.00 0.00 C ATOM 0 H ALA A 60 -7.129 -4.683 9.825 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.734 -3.527 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.869 -1.773 10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.654 -3.395 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.266 -2.545 10.792 1.00 0.00 H new ATOM 843 N MET A 61 -8.432 -2.899 6.962 1.00 0.00 N ATOM 844 CA MET A 61 -8.034 -2.186 5.769 1.00 0.00 C ATOM 845 C MET A 61 -9.102 -2.407 4.698 1.00 0.00 C ATOM 846 O MET A 61 -9.472 -3.553 4.450 1.00 0.00 O ATOM 847 CB MET A 61 -6.682 -2.745 5.346 1.00 0.00 C ATOM 848 CG MET A 61 -6.217 -2.316 3.959 1.00 0.00 C ATOM 849 SD MET A 61 -4.429 -2.121 3.858 1.00 0.00 S ATOM 850 CE MET A 61 -4.127 -2.669 2.176 1.00 0.00 C ATOM 0 H MET A 61 -8.817 -3.824 6.770 1.00 0.00 H new ATOM 0 HA MET A 61 -7.942 -1.112 5.933 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.933 -2.437 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.729 -3.834 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.540 -3.056 3.226 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.697 -1.374 3.694 1.00 0.00 H new ATOM 0 HE1 MET A 61 -3.670 -3.658 2.192 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.071 -2.715 1.633 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.457 -1.967 1.680 1.00 0.00 H new ATOM 860 N PRO A 62 -9.610 -1.337 4.069 1.00 0.00 N ATOM 861 CA PRO A 62 -10.587 -1.453 3.002 1.00 0.00 C ATOM 862 C PRO A 62 -9.997 -2.268 1.846 1.00 0.00 C ATOM 863 O PRO A 62 -8.818 -2.122 1.529 1.00 0.00 O ATOM 864 CB PRO A 62 -10.950 -0.012 2.608 1.00 0.00 C ATOM 865 CG PRO A 62 -9.796 0.843 3.143 1.00 0.00 C ATOM 866 CD PRO A 62 -9.272 0.051 4.330 1.00 0.00 C ATOM 0 HA PRO A 62 -11.489 -1.986 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.049 0.089 1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.902 0.290 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.024 0.989 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.139 1.833 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.195 0.176 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.727 0.395 5.259 1.00 0.00 H new ATOM 874 N ALA A 63 -10.812 -3.136 1.240 1.00 0.00 N ATOM 875 CA ALA A 63 -10.458 -3.882 0.039 1.00 0.00 C ATOM 876 C ALA A 63 -10.582 -2.949 -1.163 1.00 0.00 C ATOM 877 O ALA A 63 -11.526 -2.160 -1.228 1.00 0.00 O ATOM 878 CB ALA A 63 -11.397 -5.083 -0.105 1.00 0.00 C ATOM 0 H ALA A 63 -11.752 -3.340 1.580 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.435 -4.252 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.136 -5.644 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.299 -5.728 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.426 -4.733 -0.183 1.00 0.00 H new ATOM 884 N TRP A 64 -9.615 -2.992 -2.083 1.00 0.00 N ATOM 885 CA TRP A 64 -9.536 -2.041 -3.186 1.00 0.00 C ATOM 886 C TRP A 64 -9.858 -2.671 -4.550 1.00 0.00 C ATOM 887 O TRP A 64 -9.766 -1.996 -5.578 1.00 0.00 O ATOM 888 CB TRP A 64 -8.161 -1.380 -3.134 1.00 0.00 C ATOM 889 CG TRP A 64 -7.919 -0.539 -1.914 1.00 0.00 C ATOM 890 CD1 TRP A 64 -7.381 -0.951 -0.747 1.00 0.00 C ATOM 891 CD2 TRP A 64 -8.312 0.846 -1.688 1.00 0.00 C ATOM 892 NE1 TRP A 64 -7.365 0.088 0.159 1.00 0.00 N ATOM 893 CE2 TRP A 64 -7.946 1.222 -0.363 1.00 0.00 C ATOM 894 CE3 TRP A 64 -8.973 1.816 -2.464 1.00 0.00 C ATOM 895 CZ2 TRP A 64 -8.207 2.500 0.154 1.00 0.00 C ATOM 896 CZ3 TRP A 64 -9.270 3.090 -1.949 1.00 0.00 C ATOM 897 CH2 TRP A 64 -8.879 3.437 -0.645 1.00 0.00 C ATOM 0 H TRP A 64 -8.868 -3.687 -2.081 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.307 -1.280 -3.068 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.397 -2.156 -3.182 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -8.038 -0.756 -4.020 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.016 -1.949 -0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.972 0.025 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.259 1.577 -3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.894 2.759 1.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.801 3.806 -2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -9.095 4.422 -0.259 1.00 0.00 H new ATOM 908 N ASP A 65 -10.307 -3.928 -4.572 1.00 0.00 N ATOM 909 CA ASP A 65 -10.607 -4.713 -5.770 1.00 0.00 C ATOM 910 C ASP A 65 -11.562 -4.045 -6.753 1.00 0.00 C ATOM 911 O ASP A 65 -11.547 -4.328 -7.948 1.00 0.00 O ATOM 912 CB ASP A 65 -11.165 -6.083 -5.358 1.00 0.00 C ATOM 913 CG ASP A 65 -12.464 -5.957 -4.567 1.00 0.00 C ATOM 914 OD1 ASP A 65 -12.449 -5.194 -3.574 1.00 0.00 O ATOM 915 OD2 ASP A 65 -13.452 -6.598 -4.981 1.00 0.00 O ATOM 0 H ASP A 65 -10.479 -4.451 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.661 -4.812 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.340 -6.686 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.424 -6.610 -4.757 1.00 0.00 H new ATOM 920 N GLY A 66 -12.382 -3.152 -6.226 1.00 0.00 N ATOM 921 CA GLY A 66 -13.412 -2.427 -6.955 1.00 0.00 C ATOM 922 C GLY A 66 -13.237 -0.915 -6.870 1.00 0.00 C ATOM 923 O GLY A 66 -14.196 -0.185 -7.114 1.00 0.00 O ATOM 0 H GLY A 66 -12.348 -2.901 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.395 -2.733 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.391 -2.698 -6.560 1.00 0.00 H new ATOM 927 N ARG A 67 -12.039 -0.427 -6.520 1.00 0.00 N ATOM 928 CA ARG A 67 -11.786 1.008 -6.414 1.00 0.00 C ATOM 929 C ARG A 67 -10.593 1.479 -7.245 1.00 0.00 C ATOM 930 O ARG A 67 -10.432 2.690 -7.377 1.00 0.00 O ATOM 931 CB ARG A 67 -11.571 1.376 -4.936 1.00 0.00 C ATOM 932 CG ARG A 67 -12.880 1.666 -4.191 1.00 0.00 C ATOM 933 CD ARG A 67 -13.170 3.173 -4.100 1.00 0.00 C ATOM 934 NE ARG A 67 -13.156 3.821 -5.424 1.00 0.00 N ATOM 935 CZ ARG A 67 -13.880 4.895 -5.777 1.00 0.00 C ATOM 936 NH1 ARG A 67 -14.545 5.589 -4.846 1.00 0.00 N ATOM 937 NH2 ARG A 67 -13.934 5.268 -7.060 1.00 0.00 N ATOM 0 H ARG A 67 -11.231 -1.011 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.661 1.517 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.049 0.560 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.924 2.251 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.705 1.168 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.826 1.246 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.142 3.327 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.428 3.646 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.543 3.419 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.502 5.302 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.095 6.405 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.426 4.737 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.483 6.084 -7.331 1.00 0.00 H new ATOM 951 N LEU A 68 -9.746 0.560 -7.724 1.00 0.00 N ATOM 952 CA LEU A 68 -8.315 0.832 -7.856 1.00 0.00 C ATOM 953 C LEU A 68 -7.716 0.273 -9.164 1.00 0.00 C ATOM 954 O LEU A 68 -6.552 0.527 -9.430 1.00 0.00 O ATOM 955 CB LEU A 68 -7.661 0.251 -6.579 1.00 0.00 C ATOM 956 CG LEU A 68 -6.708 1.115 -5.731 1.00 0.00 C ATOM 957 CD1 LEU A 68 -5.317 1.195 -6.335 1.00 0.00 C ATOM 958 CD2 LEU A 68 -7.220 2.526 -5.479 1.00 0.00 C ATOM 0 H LEU A 68 -10.028 -0.373 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.121 1.902 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.468 -0.077 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.109 -0.641 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.660 0.601 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.681 1.814 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.893 0.193 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.377 1.635 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.496 3.074 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.360 3.038 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.171 2.479 -4.949 1.00 0.00 H new ATOM 970 N ASP A 69 -8.502 -0.449 -9.977 1.00 0.00 N ATOM 971 CA ASP A 69 -8.248 -0.952 -11.330 1.00 0.00 C ATOM 972 C ASP A 69 -6.902 -1.662 -11.567 1.00 0.00 C ATOM 973 O ASP A 69 -5.957 -1.545 -10.797 1.00 0.00 O ATOM 974 CB ASP A 69 -8.524 0.161 -12.356 1.00 0.00 C ATOM 975 CG ASP A 69 -9.220 -0.378 -13.600 1.00 0.00 C ATOM 976 OD1 ASP A 69 -8.690 -1.359 -14.164 1.00 0.00 O ATOM 977 OD2 ASP A 69 -10.290 0.172 -13.935 1.00 0.00 O ATOM 0 H ASP A 69 -9.433 -0.723 -9.665 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.953 -1.771 -11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.143 0.932 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.584 0.634 -12.641 1.00 0.00 H new ATOM 982 N GLU A 70 -6.761 -2.377 -12.683 1.00 0.00 N ATOM 983 CA GLU A 70 -5.487 -2.996 -13.042 1.00 0.00 C ATOM 984 C GLU A 70 -4.364 -1.954 -13.168 1.00 0.00 C ATOM 985 O GLU A 70 -3.188 -2.311 -13.084 1.00 0.00 O ATOM 986 CB GLU A 70 -5.627 -3.839 -14.320 1.00 0.00 C ATOM 987 CG GLU A 70 -6.129 -5.256 -13.999 1.00 0.00 C ATOM 988 CD GLU A 70 -6.188 -6.153 -15.232 1.00 0.00 C ATOM 989 OE1 GLU A 70 -5.284 -6.017 -16.086 1.00 0.00 O ATOM 990 OE2 GLU A 70 -7.124 -6.979 -15.290 1.00 0.00 O ATOM 0 H GLU A 70 -7.513 -2.541 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.205 -3.668 -12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.320 -3.352 -15.006 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.664 -3.898 -14.827 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.473 -5.710 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.121 -5.193 -13.553 1.00 0.00 H new ATOM 997 N ASP A 71 -4.713 -0.673 -13.334 1.00 0.00 N ATOM 998 CA ASP A 71 -3.733 0.399 -13.407 1.00 0.00 C ATOM 999 C ASP A 71 -3.279 0.731 -11.993 1.00 0.00 C ATOM 1000 O ASP A 71 -2.153 0.431 -11.600 1.00 0.00 O ATOM 1001 CB ASP A 71 -4.312 1.647 -14.099 1.00 0.00 C ATOM 1002 CG ASP A 71 -4.203 1.590 -15.617 1.00 0.00 C ATOM 1003 OD1 ASP A 71 -3.068 1.379 -16.096 1.00 0.00 O ATOM 1004 OD2 ASP A 71 -5.244 1.804 -16.272 1.00 0.00 O ATOM 0 H ASP A 71 -5.680 -0.359 -13.420 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.884 0.070 -14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.360 1.758 -13.819 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.790 2.532 -13.736 1.00 0.00 H new ATOM 1009 N GLU A 72 -4.141 1.383 -11.215 1.00 0.00 N ATOM 1010 CA GLU A 72 -3.722 1.962 -9.953 1.00 0.00 C ATOM 1011 C GLU A 72 -3.365 0.887 -8.915 1.00 0.00 C ATOM 1012 O GLU A 72 -2.488 1.145 -8.090 1.00 0.00 O ATOM 1013 CB GLU A 72 -4.716 3.022 -9.466 1.00 0.00 C ATOM 1014 CG GLU A 72 -4.944 4.127 -10.511 1.00 0.00 C ATOM 1015 CD GLU A 72 -6.024 5.127 -10.101 1.00 0.00 C ATOM 1016 OE1 GLU A 72 -6.783 4.813 -9.159 1.00 0.00 O ATOM 1017 OE2 GLU A 72 -6.051 6.209 -10.726 1.00 0.00 O ATOM 0 H GLU A 72 -5.126 1.520 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.789 2.501 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.667 2.545 -9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.346 3.468 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.008 4.660 -10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.223 3.669 -11.460 1.00 0.00 H new ATOM 1024 N ILE A 73 -3.958 -0.319 -8.978 1.00 0.00 N ATOM 1025 CA ILE A 73 -3.475 -1.488 -8.231 1.00 0.00 C ATOM 1026 C ILE A 73 -1.957 -1.602 -8.397 1.00 0.00 C ATOM 1027 O ILE A 73 -1.239 -1.793 -7.417 1.00 0.00 O ATOM 1028 CB ILE A 73 -4.193 -2.783 -8.674 1.00 0.00 C ATOM 1029 CG1 ILE A 73 -5.675 -2.852 -8.244 1.00 0.00 C ATOM 1030 CG2 ILE A 73 -3.466 -4.050 -8.201 1.00 0.00 C ATOM 1031 CD1 ILE A 73 -5.940 -3.107 -6.760 1.00 0.00 C ATOM 0 H ILE A 73 -4.783 -0.507 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.706 -1.352 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.166 -2.743 -9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.155 -1.913 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.161 -3.640 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.012 -4.931 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.458 -4.067 -8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.411 -4.053 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.015 -3.134 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.500 -4.061 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.494 -2.308 -6.168 1.00 0.00 H new ATOM 1043 N ALA A 74 -1.463 -1.457 -9.629 1.00 0.00 N ATOM 1044 CA ALA A 74 -0.038 -1.455 -9.906 1.00 0.00 C ATOM 1045 C ALA A 74 0.578 -0.139 -9.420 1.00 0.00 C ATOM 1046 O ALA A 74 1.547 -0.141 -8.662 1.00 0.00 O ATOM 1047 CB ALA A 74 0.184 -1.683 -11.406 1.00 0.00 C ATOM 0 H ALA A 74 -2.046 -1.338 -10.458 1.00 0.00 H new ATOM 0 HA ALA A 74 0.458 -2.264 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.253 -1.682 -11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.243 -2.643 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.299 -0.886 -11.971 1.00 0.00 H new ATOM 1053 N GLY A 75 0.007 0.984 -9.864 1.00 0.00 N ATOM 1054 CA GLY A 75 0.466 2.336 -9.578 1.00 0.00 C ATOM 1055 C GLY A 75 0.852 2.550 -8.118 1.00 0.00 C ATOM 1056 O GLY A 75 2.008 2.827 -7.791 1.00 0.00 O ATOM 0 H GLY A 75 -0.823 0.970 -10.457 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.325 2.561 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.320 3.042 -9.845 1.00 0.00 H new ATOM 1060 N VAL A 76 -0.141 2.470 -7.233 1.00 0.00 N ATOM 1061 CA VAL A 76 0.040 2.894 -5.857 1.00 0.00 C ATOM 1062 C VAL A 76 0.933 1.905 -5.102 1.00 0.00 C ATOM 1063 O VAL A 76 1.712 2.294 -4.234 1.00 0.00 O ATOM 1064 CB VAL A 76 -1.321 3.152 -5.193 1.00 0.00 C ATOM 1065 CG1 VAL A 76 -2.040 1.881 -4.737 1.00 0.00 C ATOM 1066 CG2 VAL A 76 -1.149 4.084 -3.994 1.00 0.00 C ATOM 0 H VAL A 76 -1.073 2.116 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 76 0.569 3.847 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.945 3.611 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.993 2.146 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.219 1.236 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.422 1.354 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.119 4.262 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.478 3.624 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.728 5.032 -4.328 1.00 0.00 H new ATOM 1076 N ALA A 77 0.847 0.622 -5.461 1.00 0.00 N ATOM 1077 CA ALA A 77 1.687 -0.425 -4.919 1.00 0.00 C ATOM 1078 C ALA A 77 3.131 -0.094 -5.247 1.00 0.00 C ATOM 1079 O ALA A 77 3.982 -0.058 -4.361 1.00 0.00 O ATOM 1080 CB ALA A 77 1.287 -1.746 -5.584 1.00 0.00 C ATOM 0 H ALA A 77 0.175 0.285 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 77 1.571 -0.509 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.906 -2.553 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.239 -1.957 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.431 -1.669 -6.662 1.00 0.00 H new ATOM 1086 N ALA A 78 3.401 0.162 -6.528 1.00 0.00 N ATOM 1087 CA ALA A 78 4.740 0.478 -6.969 1.00 0.00 C ATOM 1088 C ALA A 78 5.272 1.693 -6.214 1.00 0.00 C ATOM 1089 O ALA A 78 6.379 1.645 -5.680 1.00 0.00 O ATOM 1090 CB ALA A 78 4.767 0.697 -8.477 1.00 0.00 C ATOM 0 H ALA A 78 2.702 0.154 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 78 5.395 -0.365 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.783 0.934 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.432 -0.209 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.105 1.523 -8.737 1.00 0.00 H new ATOM 1096 N TYR A 79 4.468 2.764 -6.142 1.00 0.00 N ATOM 1097 CA TYR A 79 4.825 3.943 -5.361 1.00 0.00 C ATOM 1098 C TYR A 79 5.272 3.548 -3.951 1.00 0.00 C ATOM 1099 O TYR A 79 6.425 3.771 -3.580 1.00 0.00 O ATOM 1100 CB TYR A 79 3.650 4.935 -5.324 1.00 0.00 C ATOM 1101 CG TYR A 79 3.775 6.118 -4.371 1.00 0.00 C ATOM 1102 CD1 TYR A 79 5.022 6.700 -4.063 1.00 0.00 C ATOM 1103 CD2 TYR A 79 2.607 6.667 -3.811 1.00 0.00 C ATOM 1104 CE1 TYR A 79 5.093 7.831 -3.231 1.00 0.00 C ATOM 1105 CE2 TYR A 79 2.686 7.790 -2.969 1.00 0.00 C ATOM 1106 CZ TYR A 79 3.926 8.362 -2.665 1.00 0.00 C ATOM 1107 OH TYR A 79 3.987 9.456 -1.854 1.00 0.00 O ATOM 0 H TYR A 79 3.568 2.832 -6.617 1.00 0.00 H new ATOM 0 HA TYR A 79 5.668 4.439 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.504 5.325 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.748 4.382 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.928 6.274 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.646 6.224 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.049 8.291 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.783 8.214 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 79 3.085 9.689 -1.551 1.00 0.00 H new ATOM 1117 N VAL A 80 4.366 2.976 -3.153 1.00 0.00 N ATOM 1118 CA VAL A 80 4.673 2.711 -1.752 1.00 0.00 C ATOM 1119 C VAL A 80 5.879 1.771 -1.629 1.00 0.00 C ATOM 1120 O VAL A 80 6.721 1.954 -0.751 1.00 0.00 O ATOM 1121 CB VAL A 80 3.430 2.227 -0.984 1.00 0.00 C ATOM 1122 CG1 VAL A 80 2.293 3.255 -1.088 1.00 0.00 C ATOM 1123 CG2 VAL A 80 2.963 0.825 -1.350 1.00 0.00 C ATOM 0 H VAL A 80 3.432 2.693 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 80 4.964 3.646 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 80 3.739 2.146 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.424 2.893 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.621 4.204 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.026 3.398 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.083 0.569 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.712 0.790 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.760 0.110 -1.142 1.00 0.00 H new ATOM 1133 N TYR A 81 5.982 0.785 -2.527 1.00 0.00 N ATOM 1134 CA TYR A 81 7.094 -0.153 -2.568 1.00 0.00 C ATOM 1135 C TYR A 81 8.426 0.577 -2.789 1.00 0.00 C ATOM 1136 O TYR A 81 9.401 0.279 -2.097 1.00 0.00 O ATOM 1137 CB TYR A 81 6.818 -1.218 -3.636 1.00 0.00 C ATOM 1138 CG TYR A 81 7.717 -2.437 -3.581 1.00 0.00 C ATOM 1139 CD1 TYR A 81 8.952 -2.438 -4.256 1.00 0.00 C ATOM 1140 CD2 TYR A 81 7.272 -3.607 -2.936 1.00 0.00 C ATOM 1141 CE1 TYR A 81 9.720 -3.614 -4.316 1.00 0.00 C ATOM 1142 CE2 TYR A 81 8.039 -4.782 -3.001 1.00 0.00 C ATOM 1143 CZ TYR A 81 9.251 -4.791 -3.708 1.00 0.00 C ATOM 1144 OH TYR A 81 9.992 -5.933 -3.757 1.00 0.00 O ATOM 0 H TYR A 81 5.284 0.619 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 81 7.184 -0.657 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.783 -1.546 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.917 -0.758 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.310 -1.535 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.340 -3.601 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 81 10.670 -3.613 -4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 81 7.696 -5.679 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 81 9.519 -6.650 -3.285 1.00 0.00 H new ATOM 1154 N ASP A 82 8.479 1.536 -3.726 1.00 0.00 N ATOM 1155 CA ASP A 82 9.679 2.348 -3.931 1.00 0.00 C ATOM 1156 C ASP A 82 10.049 3.060 -2.633 1.00 0.00 C ATOM 1157 O ASP A 82 11.160 2.881 -2.130 1.00 0.00 O ATOM 1158 CB ASP A 82 9.507 3.363 -5.067 1.00 0.00 C ATOM 1159 CG ASP A 82 10.801 4.146 -5.288 1.00 0.00 C ATOM 1160 OD1 ASP A 82 11.061 5.083 -4.501 1.00 0.00 O ATOM 1161 OD2 ASP A 82 11.529 3.788 -6.238 1.00 0.00 O ATOM 0 H ASP A 82 7.705 1.765 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 82 10.486 1.676 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.227 2.846 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.696 4.051 -4.828 1.00 0.00 H new ATOM 1166 N GLN A 83 9.101 3.824 -2.069 1.00 0.00 N ATOM 1167 CA GLN A 83 9.332 4.548 -0.825 1.00 0.00 C ATOM 1168 C GLN A 83 9.925 3.623 0.233 1.00 0.00 C ATOM 1169 O GLN A 83 10.982 3.905 0.806 1.00 0.00 O ATOM 1170 CB GLN A 83 8.053 5.185 -0.271 1.00 0.00 C ATOM 1171 CG GLN A 83 7.298 6.100 -1.232 1.00 0.00 C ATOM 1172 CD GLN A 83 8.197 7.132 -1.893 1.00 0.00 C ATOM 1173 OE1 GLN A 83 8.364 7.141 -3.107 1.00 0.00 O ATOM 1174 NE2 GLN A 83 8.765 8.035 -1.107 1.00 0.00 N ATOM 0 H GLN A 83 8.168 3.952 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 83 10.035 5.347 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.380 4.388 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.311 5.758 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.820 5.495 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.503 6.612 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.609 8.004 -0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.358 8.761 -1.510 1.00 0.00 H new ATOM 1183 N ALA A 84 9.221 2.511 0.464 1.00 0.00 N ATOM 1184 CA ALA A 84 9.598 1.479 1.402 1.00 0.00 C ATOM 1185 C ALA A 84 11.049 1.082 1.182 1.00 0.00 C ATOM 1186 O ALA A 84 11.887 1.294 2.060 1.00 0.00 O ATOM 1187 CB ALA A 84 8.672 0.269 1.234 1.00 0.00 C ATOM 0 H ALA A 84 8.346 2.309 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 84 9.497 1.857 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.958 -0.509 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.642 0.571 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.758 -0.116 0.218 1.00 0.00 H new ATOM 1193 N ALA A 85 11.337 0.494 0.017 1.00 0.00 N ATOM 1194 CA ALA A 85 12.652 -0.019 -0.325 1.00 0.00 C ATOM 1195 C ALA A 85 13.706 1.063 -0.103 1.00 0.00 C ATOM 1196 O ALA A 85 14.620 0.865 0.701 1.00 0.00 O ATOM 1197 CB ALA A 85 12.653 -0.518 -1.773 1.00 0.00 C ATOM 0 H ALA A 85 10.646 0.363 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 85 12.897 -0.862 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.642 -0.902 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.916 -1.313 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.402 0.305 -2.442 1.00 0.00 H new ATOM 1203 N GLY A 86 13.528 2.197 -0.785 1.00 0.00 N ATOM 1204 CA GLY A 86 14.455 3.313 -0.844 1.00 0.00 C ATOM 1205 C GLY A 86 14.773 3.918 0.518 1.00 0.00 C ATOM 1206 O GLY A 86 15.900 4.355 0.732 1.00 0.00 O ATOM 0 H GLY A 86 12.687 2.363 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.383 2.979 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.037 4.087 -1.487 1.00 0.00 H new ATOM 1210 N ASN A 87 13.771 4.004 1.401 1.00 0.00 N ATOM 1211 CA ASN A 87 13.760 4.840 2.606 1.00 0.00 C ATOM 1212 C ASN A 87 13.348 6.272 2.245 1.00 0.00 C ATOM 1213 O ASN A 87 13.571 7.190 3.025 1.00 0.00 O ATOM 1214 CB ASN A 87 15.084 4.860 3.402 1.00 0.00 C ATOM 1215 CG ASN A 87 15.663 3.491 3.754 1.00 0.00 C ATOM 1216 OD1 ASN A 87 14.968 2.476 3.783 1.00 0.00 O ATOM 1217 ND2 ASN A 87 16.958 3.455 4.059 1.00 0.00 N ATOM 0 H ASN A 87 12.909 3.470 1.290 1.00 0.00 H new ATOM 0 HA ASN A 87 13.030 4.378 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.826 5.411 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.923 5.415 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.395 2.572 4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.513 4.310 4.028 1.00 0.00 H new ATOM 1224 N LYS A 88 12.743 6.473 1.070 1.00 0.00 N ATOM 1225 CA LYS A 88 12.273 7.763 0.592 1.00 0.00 C ATOM 1226 C LYS A 88 10.974 8.237 1.266 1.00 0.00 C ATOM 1227 O LYS A 88 10.417 9.244 0.833 1.00 0.00 O ATOM 1228 CB LYS A 88 12.062 7.634 -0.910 1.00 0.00 C ATOM 1229 CG LYS A 88 13.424 7.550 -1.560 1.00 0.00 C ATOM 1230 CD LYS A 88 13.230 7.514 -3.071 1.00 0.00 C ATOM 1231 CE LYS A 88 14.614 7.793 -3.628 1.00 0.00 C ATOM 1232 NZ LYS A 88 14.568 8.059 -5.080 1.00 0.00 N ATOM 0 H LYS A 88 12.565 5.715 0.411 1.00 0.00 H new ATOM 0 HA LYS A 88 13.021 8.516 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.474 6.745 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.508 8.491 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.034 8.407 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.951 6.657 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.855 6.546 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.510 8.264 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.049 8.650 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.265 6.940 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.530 8.246 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.175 7.231 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.966 8.888 -5.262 1.00 0.00 H new ATOM 1246 N TRP A 89 10.443 7.501 2.248 1.00 0.00 N ATOM 1247 CA TRP A 89 9.287 7.958 3.007 1.00 0.00 C ATOM 1248 C TRP A 89 9.659 9.201 3.818 1.00 0.00 C ATOM 1249 O TRP A 89 8.820 10.127 3.852 1.00 0.00 O ATOM 1250 CB TRP A 89 8.759 6.848 3.929 1.00 0.00 C ATOM 1251 CG TRP A 89 7.797 5.864 3.328 1.00 0.00 C ATOM 1252 CD1 TRP A 89 7.908 4.517 3.368 1.00 0.00 C ATOM 1253 CD2 TRP A 89 6.539 6.136 2.640 1.00 0.00 C ATOM 1254 NE1 TRP A 89 6.791 3.933 2.804 1.00 0.00 N ATOM 1255 CE2 TRP A 89 5.922 4.890 2.316 1.00 0.00 C ATOM 1256 CE3 TRP A 89 5.856 7.311 2.252 1.00 0.00 C ATOM 1257 CZ2 TRP A 89 4.695 4.820 1.642 1.00 0.00 C ATOM 1258 CZ3 TRP A 89 4.645 7.248 1.541 1.00 0.00 C ATOM 1259 CH2 TRP A 89 4.067 6.007 1.234 1.00 0.00 C ATOM 1260 OXT TRP A 89 10.768 9.193 4.395 1.00 0.00 O ATOM 0 H TRP A 89 10.799 6.588 2.531 1.00 0.00 H new ATOM 0 HA TRP A 89 8.491 8.215 2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.614 6.293 4.316 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.272 7.319 4.783 1.00 0.00 H new ATOM 0 HD1 TRP A 89 8.747 3.977 3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.629 2.927 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.272 8.275 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.238 3.863 1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.157 8.160 1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.139 5.965 0.684 1.00 0.00 H new TER 1271 TRP A 89 HETATM 1272 FE HEC A 90 -3.277 -0.019 4.286 1.00 0.00 FE HETATM 1273 CHA HEC A 90 -1.819 -2.605 6.026 1.00 0.00 C HETATM 1274 CHB HEC A 90 -1.129 -0.436 1.648 1.00 0.00 C HETATM 1275 CHC HEC A 90 -5.172 2.236 2.393 1.00 0.00 C HETATM 1276 CHD HEC A 90 -5.258 0.741 7.068 1.00 0.00 C HETATM 1277 NA HEC A 90 -1.735 -1.273 3.921 1.00 0.00 N HETATM 1278 C1A HEC A 90 -1.314 -2.261 4.769 1.00 0.00 C HETATM 1279 C2A HEC A 90 -0.206 -2.929 4.133 1.00 0.00 C HETATM 1280 C3A HEC A 90 0.016 -2.293 2.930 1.00 0.00 C HETATM 1281 C4A HEC A 90 -0.986 -1.262 2.780 1.00 0.00 C HETATM 1282 CMA HEC A 90 1.078 -2.650 1.928 1.00 0.00 C HETATM 1283 CAA HEC A 90 0.560 -4.120 4.675 1.00 0.00 C HETATM 1284 CBA HEC A 90 1.639 -3.814 5.710 1.00 0.00 C HETATM 1285 CGA HEC A 90 1.084 -3.321 7.036 1.00 0.00 C HETATM 1286 O1A HEC A 90 0.508 -4.148 7.780 1.00 0.00 O HETATM 1287 O2A HEC A 90 1.202 -2.101 7.260 1.00 0.00 O HETATM 1288 NB HEC A 90 -3.161 0.784 2.370 1.00 0.00 N HETATM 1289 C1B HEC A 90 -2.170 0.490 1.490 1.00 0.00 C HETATM 1290 C2B HEC A 90 -2.380 1.302 0.312 1.00 0.00 C HETATM 1291 C3B HEC A 90 -3.579 1.973 0.469 1.00 0.00 C HETATM 1292 C4B HEC A 90 -4.041 1.673 1.808 1.00 0.00 C HETATM 1293 CMB HEC A 90 -1.486 1.304 -0.907 1.00 0.00 C HETATM 1294 CAB HEC A 90 -4.324 2.808 -0.576 1.00 0.00 C HETATM 1295 CBB HEC A 90 -4.756 2.008 -1.815 1.00 0.00 C HETATM 1296 NC HEC A 90 -4.973 1.206 4.642 1.00 0.00 N HETATM 1297 C1C HEC A 90 -5.534 2.045 3.720 1.00 0.00 C HETATM 1298 C2C HEC A 90 -6.550 2.825 4.386 1.00 0.00 C HETATM 1299 C3C HEC A 90 -6.540 2.457 5.713 1.00 0.00 C HETATM 1300 C4C HEC A 90 -5.558 1.399 5.865 1.00 0.00 C HETATM 1301 CMC HEC A 90 -7.325 3.981 3.788 1.00 0.00 C HETATM 1302 CAC HEC A 90 -7.301 3.143 6.831 1.00 0.00 C HETATM 1303 CBC HEC A 90 -8.820 3.193 6.641 1.00 0.00 C HETATM 1304 ND HEC A 90 -3.494 -0.793 6.216 1.00 0.00 N HETATM 1305 C1D HEC A 90 -4.342 -0.307 7.166 1.00 0.00 C HETATM 1306 C2D HEC A 90 -4.133 -1.088 8.359 1.00 0.00 C HETATM 1307 C3D HEC A 90 -3.266 -2.107 8.042 1.00 0.00 C HETATM 1308 C4D HEC A 90 -2.797 -1.863 6.696 1.00 0.00 C HETATM 1309 CMD HEC A 90 -4.756 -0.844 9.710 1.00 0.00 C HETATM 1310 CAD HEC A 90 -2.935 -3.271 8.946 1.00 0.00 C HETATM 1311 CBD HEC A 90 -4.126 -4.220 9.136 1.00 0.00 C HETATM 1312 CGD HEC A 90 -3.846 -5.303 10.171 1.00 0.00 C HETATM 1313 O1D HEC A 90 -3.231 -4.965 11.201 1.00 0.00 O HETATM 1314 O2D HEC A 90 -4.256 -6.457 9.924 1.00 0.00 O HETATM 0 HMD3 HEC A 90 -4.470 0.145 10.069 1.00 0.00 H new HETATM 0 HMD2 HEC A 90 -5.841 -0.900 9.626 1.00 0.00 H new HETATM 0 HMD1 HEC A 90 -4.407 -1.600 10.413 1.00 0.00 H new HETATM 0 HMC3 HEC A 90 -6.632 4.768 3.490 1.00 0.00 H new HETATM 0 HMC2 HEC A 90 -7.879 3.635 2.915 1.00 0.00 H new HETATM 0 HMC1 HEC A 90 -8.023 4.373 4.528 1.00 0.00 H new HETATM 0 HMB3 HEC A 90 -0.478 1.603 -0.619 1.00 0.00 H new HETATM 0 HMB2 HEC A 90 -1.458 0.304 -1.339 1.00 0.00 H new HETATM 0 HMB1 HEC A 90 -1.876 2.007 -1.643 1.00 0.00 H new HETATM 0 HMA3 HEC A 90 2.061 -2.558 2.391 1.00 0.00 H new HETATM 0 HMA2 HEC A 90 0.930 -3.676 1.591 1.00 0.00 H new HETATM 0 HMA1 HEC A 90 1.014 -1.975 1.074 1.00 0.00 H new HETATM 0 HBD2 HEC A 90 -5.000 -3.645 9.443 1.00 0.00 H new HETATM 0 HBD1 HEC A 90 -4.371 -4.687 8.182 1.00 0.00 H new HETATM 0 HBC3 HEC A 90 -9.054 3.735 5.725 1.00 0.00 H new HETATM 0 HBC2 HEC A 90 -9.212 2.178 6.573 1.00 0.00 H new HETATM 0 HBC1 HEC A 90 -9.276 3.702 7.490 1.00 0.00 H new HETATM 0 HBB3 HEC A 90 -3.876 1.589 -2.303 1.00 0.00 H new HETATM 0 HBB2 HEC A 90 -5.422 1.200 -1.512 1.00 0.00 H new HETATM 0 HBB1 HEC A 90 -5.277 2.667 -2.510 1.00 0.00 H new HETATM 0 HBA2 HEC A 90 2.230 -4.713 5.884 1.00 0.00 H new HETATM 0 HBA1 HEC A 90 2.316 -3.061 5.306 1.00 0.00 H new HETATM 0 HAD2 HEC A 90 -2.095 -3.825 8.527 1.00 0.00 H new HETATM 0 HAD1 HEC A 90 -2.616 -2.894 9.918 1.00 0.00 H new HETATM 0 HAA2 HEC A 90 -0.154 -4.813 5.120 1.00 0.00 H new HETATM 0 HAA1 HEC A 90 1.027 -4.637 3.837 1.00 0.00 H new HETATM 0 HHD HEC A 90 -5.768 1.066 7.975 1.00 0.00 H new HETATM 0 HHC HEC A 90 -5.811 2.864 1.773 1.00 0.00 H new HETATM 0 HHB HEC A 90 -0.390 -0.521 0.851 1.00 0.00 H new HETATM 0 HHA HEC A 90 -1.429 -3.500 6.511 1.00 0.00 H new HETATM 0 H2D HEC A 90 -4.750 -6.801 10.697 1.00 0.00 H new CONECT 201 1294 CONECT 231 1302 CONECT 245 1272 CONECT 849 1272 CONECT 1272 245 849 1277 1288 CONECT 1272 1296 1304 CONECT 1273 1278 1308 1315 CONECT 1274 1281 1289 1316 CONECT 1275 1292 1297 1317 CONECT 1276 1300 1305 1318 CONECT 1277 1272 1278 1281 CONECT 1278 1273 1277 1279 CONECT 1279 1278 1280 1283 CONECT 1280 1279 1281 1282 CONECT 1281 1274 1277 1280 CONECT 1282 1280 1319 1320 1321 CONECT 1283 1279 1284 1322 1323 CONECT 1284 1283 1285 1324 1325 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1272 1289 1292 CONECT 1289 1274 1288 1290 CONECT 1290 1289 1291 1293 CONECT 1291 1290 1292 1294 CONECT 1292 1275 1288 1291 CONECT 1293 1290 1326 1327 1328 CONECT 1294 201 1291 1295 1329 CONECT 1295 1294 1330 1331 1332 CONECT 1296 1272 1297 1300 CONECT 1297 1275 1296 1298 CONECT 1298 1297 1299 1301 CONECT 1299 1298 1300 1302 CONECT 1300 1276 1296 1299 CONECT 1301 1298 1333 1334 1335 CONECT 1302 231 1299 1303 1336 CONECT 1303 1302 1337 1338 1339 CONECT 1304 1272 1305 1308 CONECT 1305 1276 1304 1306 CONECT 1306 1305 1307 1309 CONECT 1307 1306 1308 1310 CONECT 1308 1273 1304 1307 CONECT 1309 1306 1340 1341 1342 CONECT 1310 1307 1311 1343 1344 CONECT 1311 1310 1312 1345 1346 CONECT 1312 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1273 CONECT 1316 1274 CONECT 1317 1275 CONECT 1318 1276 CONECT 1319 1282 CONECT 1320 1282 CONECT 1321 1282 CONECT 1322 1283 CONECT 1323 1283 CONECT 1324 1284 CONECT 1325 1284 CONECT 1326 1293 CONECT 1327 1293 CONECT 1328 1293 CONECT 1329 1294 CONECT 1330 1295 CONECT 1331 1295 CONECT 1332 1295 CONECT 1333 1301 CONECT 1334 1301 CONECT 1335 1301 CONECT 1336 1302 CONECT 1337 1303 CONECT 1338 1303 CONECT 1339 1303 CONECT 1340 1309 CONECT 1341 1309 CONECT 1342 1309 CONECT 1343 1310 CONECT 1344 1310 CONECT 1345 1311 CONECT 1346 1311 END