USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) HEADER GLYCOPROTEIN 23-FEB-93 1HFH TITLE SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY TITLE 2 NUCLEAR MAGNETIC RESONANCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FACTOR H, 15TH AND 16TH C-MODULE PAIR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR P.N.BARLOW,A.STEINKASSERER,D.G.NORMAN,B.KIEFFER,A.P.WILES, AUTHOR 2 R.B.SIM,I.D.CAMPBELL REVDAT 3 24-FEB-09 1HFH 1 VERSN REVDAT 2 20-JUL-95 1HFH 1 COMPND EXPDTA REVDAT 1 15-JUL-93 1HFH 0 JRNL AUTH P.N.BARLOW,A.STEINKASSERER,D.G.NORMAN,B.KIEFFER, JRNL AUTH 2 A.P.WILES,R.B.SIM,I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES JRNL TITL 2 BY NUCLEAR MAGNETIC RESONANCE. JRNL REF J.MOL.BIOL. V. 232 268 1993 JRNL REFN ISSN 0022-2836 JRNL PMID 8331663 JRNL DOI 10.1006/JMBI.1993.1381 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HFH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES REMARK 500 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 7.8 DEGREES REMARK 500 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES REMARK 500 CYS A 61 CA - CB - SG ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 113 CG - CD1 - NE1 ANGL. DEV. = -6.6 DEGREES REMARK 500 TRP A 113 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 113 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 2 137.04 -21.49 REMARK 500 SER A 6 -169.50 -119.25 REMARK 500 GLN A 7 111.64 -33.93 REMARK 500 PRO A 8 163.16 -46.65 REMARK 500 GLU A 12 -46.20 -22.95 REMARK 500 HIS A 13 42.17 -141.85 REMARK 500 SER A 19 66.41 35.78 REMARK 500 ARG A 20 -96.10 21.41 REMARK 500 SER A 22 -53.83 -121.16 REMARK 500 GLU A 37 157.78 -37.11 REMARK 500 PHE A 40 140.13 -24.28 REMARK 500 GLU A 44 86.05 60.74 REMARK 500 GLU A 45 113.17 15.64 REMARK 500 ASN A 46 74.72 -68.48 REMARK 500 PRO A 58 -179.77 -53.63 REMARK 500 PRO A 59 -179.32 -53.04 REMARK 500 GLU A 62 -162.16 169.71 REMARK 500 VAL A 76 132.57 -173.54 REMARK 500 HIS A 79 61.11 -112.85 REMARK 500 SER A 83 77.29 -109.68 REMARK 500 TYR A 86 145.20 -8.94 REMARK 500 ASP A 101 -135.69 -112.59 REMARK 500 ALA A 104 35.72 -96.88 REMARK 500 GLU A 111 -69.82 -124.65 REMARK 500 LYS A 112 -163.10 -105.20 REMARK 500 HIS A 115 77.37 -0.67 REMARK 500 PRO A 117 158.77 -25.39 REMARK 500 SER A 118 61.48 -110.85 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 20 0.30 SIDE_CHAIN REMARK 500 ARG A 41 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1HFH A 1 120 UNP P08603 CFAH_HUMAN 866 985 SEQRES 1 A 120 GLU LYS ILE PRO CYS SER GLN PRO PRO GLN ILE GLU HIS SEQRES 2 A 120 GLY THR ILE ASN SER SER ARG SER SER GLN GLU SER TYR SEQRES 3 A 120 ALA HIS GLY THR LYS LEU SER TYR THR CYS GLU GLY GLY SEQRES 4 A 120 PHE ARG ILE SER GLU GLU ASN GLU THR THR CYS TYR MET SEQRES 5 A 120 GLY LYS TRP SER SER PRO PRO GLN CYS GLU GLY LEU PRO SEQRES 6 A 120 CYS LYS SER PRO PRO GLU ILE SER HIS GLY VAL VAL ALA SEQRES 7 A 120 HIS MET SER ASP SER TYR GLN TYR GLY GLU GLU VAL THR SEQRES 8 A 120 TYR LYS CYS PHE GLU GLY PHE GLY ILE ASP GLY PRO ALA SEQRES 9 A 120 ILE ALA LYS CYS LEU GLY GLU LYS TRP SER HIS PRO PRO SEQRES 10 A 120 SER CYS ILE SHEET 1 A 4 GLY A 14 ILE A 16 0 SHEET 2 A 4 THR A 30 CYS A 36 -1 O THR A 35 N THR A 15 SHEET 3 A 4 GLU A 47 TYR A 51 -1 N THR A 48 O LEU A 32 SHEET 4 A 4 LYS A 54 TRP A 55 -1 O LYS A 54 N TYR A 51 SHEET 1 B 2 ARG A 41 SER A 43 0 SHEET 2 B 2 GLN A 60 GLU A 62 -1 O GLN A 60 N SER A 43 SHEET 1 C 3 VAL A 76 HIS A 79 0 SHEET 2 C 3 GLU A 89 LYS A 93 -1 N THR A 91 O HIS A 79 SHEET 3 C 3 ILE A 105 LYS A 107 -1 O ALA A 106 N VAL A 90 SSBOND *** CYS A 5 CYS A 50 1555 1555 2.02 SSBOND *** CYS A 36 CYS A 61 1555 1555 2.02 SSBOND *** CYS A 66 CYS A 108 1555 1555 2.02 SSBOND *** CYS A 94 CYS A 119 1555 1555 2.02 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 81 SER OG : rot 89:sc= 1.97 USER MOD Set 1.2: A 84 TYR OH : rot -15:sc= -0.361 USER MOD Set 2.1: A 73 SER OG : rot 180:sc=-0.00643 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -0.801 K(o=-0.81,f=-1.5) USER MOD Set 3.1: A 17 ASN :FLIP amide:sc= 0.396 F(o=-0.9,f=-0.26) USER MOD Set 3.2: A 35 THR OG1 : rot -150:sc= -0.659 USER MOD Set 4.1: A 18 SER OG : rot -130:sc= -0.406 USER MOD Set 4.2: A 19 SER OG : rot -170:sc= 0.556 USER MOD Set 4.3: A 22 SER OG : rot -152:sc= 0.842 USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0 (180deg=-0.0762) USER MOD Single : A 2 LYS NZ :NH3+ -126:sc= -0.0998 (180deg=-0.313) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -1.01 F(o=-2.7!,f=-1) USER MOD Single : A 10 GLN :FLIP amide:sc= -1.31 F(o=-2.4,f=-1.3) USER MOD Single : A 13 HIS : no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-2.4!) USER MOD Single : A 30 THR OG1 : rot -130:sc= -0.0141 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -80:sc= 1.18 USER MOD Single : A 34 TYR OH : rot 9:sc= 0.0799 USER MOD Single : A 43 SER OG : rot 27:sc= 0.033 USER MOD Single : A 46 ASN :FLIP amide:sc= 0.24 F(o=-1.2,f=0.24) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 171:sc= -0.14 (180deg=-0.343) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.251) USER MOD Single : A 68 SER OG : rot 145:sc= -0.691 USER MOD Single : A 79 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.2) USER MOD Single : A 80 MET CE :methyl -149:sc= 0 (180deg=-0.853) USER MOD Single : A 83 SER OG : rot 60:sc= 0.31 USER MOD Single : A 85 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -172:sc= 0.071 USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.134 (180deg=-0.713) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.159) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.178 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 118 SER OG : rot 77:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -6.386 47.469 3.226 1.00 0.00 N ATOM 2 CA GLU A 1 -6.574 46.534 2.089 1.00 0.00 C ATOM 3 C GLU A 1 -5.839 45.225 2.338 1.00 0.00 C ATOM 4 O GLU A 1 -4.642 45.147 2.146 1.00 0.00 O ATOM 5 CB GLU A 1 -6.053 47.174 0.768 1.00 0.00 C ATOM 6 CG GLU A 1 -7.073 48.235 0.285 1.00 0.00 C ATOM 7 CD GLU A 1 -8.434 47.619 -0.144 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.538 46.404 -0.252 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.320 48.431 -0.353 1.00 0.00 O ATOM 0 H1 GLU A 1 -7.050 48.264 3.135 1.00 0.00 H new ATOM 0 H2 GLU A 1 -6.565 46.969 4.120 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.411 47.830 3.221 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.641 46.330 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.079 47.635 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -5.918 46.407 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.243 48.957 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -6.648 48.783 -0.556 1.00 0.00 H new ATOM 18 N LYS A 2 -6.620 44.264 2.781 1.00 0.00 N ATOM 19 CA LYS A 2 -6.164 42.867 3.103 1.00 0.00 C ATOM 20 C LYS A 2 -4.851 42.487 2.399 1.00 0.00 C ATOM 21 O LYS A 2 -4.681 42.761 1.226 1.00 0.00 O ATOM 22 CB LYS A 2 -7.273 41.887 2.685 1.00 0.00 C ATOM 23 CG LYS A 2 -8.587 42.172 3.454 1.00 0.00 C ATOM 24 CD LYS A 2 -9.708 41.269 2.894 1.00 0.00 C ATOM 25 CE LYS A 2 -11.046 41.552 3.599 1.00 0.00 C ATOM 26 NZ LYS A 2 -10.953 41.244 5.054 1.00 0.00 N ATOM 0 H LYS A 2 -7.618 44.403 2.942 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.971 42.817 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.450 41.969 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.950 40.864 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.448 41.982 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.863 43.221 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.815 41.437 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.437 40.222 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.321 42.598 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.835 40.952 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.714 40.586 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.031 40.808 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.049 42.123 5.602 1.00 0.00 H new ATOM 40 N ILE A 3 -3.968 41.848 3.119 1.00 0.00 N ATOM 41 CA ILE A 3 -2.668 41.454 2.501 1.00 0.00 C ATOM 42 C ILE A 3 -2.889 40.090 1.827 1.00 0.00 C ATOM 43 O ILE A 3 -3.570 39.254 2.389 1.00 0.00 O ATOM 44 CB ILE A 3 -1.573 41.329 3.601 1.00 0.00 C ATOM 45 CG1 ILE A 3 -1.398 42.648 4.396 1.00 0.00 C ATOM 46 CG2 ILE A 3 -0.204 41.012 2.973 1.00 0.00 C ATOM 47 CD1 ILE A 3 -2.435 42.803 5.525 1.00 0.00 C ATOM 0 H ILE A 3 -4.088 41.584 4.097 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.338 42.200 1.778 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.903 40.529 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.395 42.680 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.481 43.493 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.546 40.929 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.263 40.070 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.076 41.812 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.265 43.744 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.439 42.800 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.336 41.975 6.227 1.00 0.00 H new ATOM 59 N PRO A 4 -2.327 39.881 0.657 1.00 0.00 N ATOM 60 CA PRO A 4 -2.308 38.539 0.020 1.00 0.00 C ATOM 61 C PRO A 4 -1.416 37.628 0.855 1.00 0.00 C ATOM 62 O PRO A 4 -0.635 38.088 1.662 1.00 0.00 O ATOM 63 CB PRO A 4 -1.761 38.778 -1.376 1.00 0.00 C ATOM 64 CG PRO A 4 -0.823 39.980 -1.145 1.00 0.00 C ATOM 65 CD PRO A 4 -1.639 40.889 -0.201 1.00 0.00 C ATOM 0 HA PRO A 4 -3.283 38.055 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.226 37.909 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.551 39.007 -2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.120 39.673 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.579 40.486 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.001 41.556 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.345 41.517 -0.744 1.00 0.00 H new ATOM 73 N CYS A 5 -1.544 36.357 0.627 1.00 0.00 N ATOM 74 CA CYS A 5 -0.724 35.380 1.388 1.00 0.00 C ATOM 75 C CYS A 5 0.435 34.915 0.509 1.00 0.00 C ATOM 76 O CYS A 5 0.529 35.281 -0.644 1.00 0.00 O ATOM 77 CB CYS A 5 -1.616 34.203 1.772 1.00 0.00 C ATOM 78 SG CYS A 5 -2.639 34.372 3.254 1.00 0.00 S ATOM 0 H CYS A 5 -2.183 35.949 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.316 35.832 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.277 33.994 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.979 33.328 1.902 1.00 0.00 H new ATOM 83 N SER A 6 1.269 34.112 1.106 1.00 0.00 N ATOM 84 CA SER A 6 2.470 33.543 0.435 1.00 0.00 C ATOM 85 C SER A 6 2.294 32.029 0.459 1.00 0.00 C ATOM 86 O SER A 6 1.215 31.568 0.784 1.00 0.00 O ATOM 87 CB SER A 6 3.708 33.977 1.231 1.00 0.00 C ATOM 88 OG SER A 6 3.480 33.551 2.571 1.00 0.00 O ATOM 0 H SER A 6 1.161 33.814 2.076 1.00 0.00 H new ATOM 0 HA SER A 6 2.590 33.885 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.612 33.523 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.845 35.057 1.183 1.00 0.00 H new ATOM 0 HG SER A 6 4.246 33.802 3.129 1.00 0.00 H new ATOM 94 N GLN A 7 3.341 31.320 0.108 1.00 0.00 N ATOM 95 CA GLN A 7 3.312 29.821 0.094 1.00 0.00 C ATOM 96 C GLN A 7 2.409 29.306 1.229 1.00 0.00 C ATOM 97 O GLN A 7 2.791 29.482 2.371 1.00 0.00 O ATOM 98 CB GLN A 7 4.736 29.258 0.303 1.00 0.00 C ATOM 99 CG GLN A 7 5.620 29.515 -0.924 1.00 0.00 C ATOM 100 CD GLN A 7 5.126 28.633 -2.075 1.00 0.00 C ATOM 101 OE1 GLN A 7 4.571 29.206 -3.101 1.00 0.00 O flip ATOM 102 NE2 GLN A 7 5.235 27.423 -2.048 1.00 0.00 N flip ATOM 0 H GLN A 7 4.233 31.726 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 7 2.925 29.492 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.187 29.719 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.681 28.187 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.577 30.567 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.661 29.289 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.670 26.968 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.892 26.862 -2.828 1.00 0.00 H new ATOM 111 N PRO A 8 1.269 28.712 0.944 1.00 0.00 N ATOM 112 CA PRO A 8 0.345 28.210 1.992 1.00 0.00 C ATOM 113 C PRO A 8 1.074 27.419 3.065 1.00 0.00 C ATOM 114 O PRO A 8 2.191 26.984 2.864 1.00 0.00 O ATOM 115 CB PRO A 8 -0.676 27.380 1.228 1.00 0.00 C ATOM 116 CG PRO A 8 0.032 27.091 -0.117 1.00 0.00 C ATOM 117 CD PRO A 8 0.714 28.409 -0.398 1.00 0.00 C ATOM 0 HA PRO A 8 -0.133 29.017 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.923 26.460 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.609 27.925 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.745 26.271 -0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.675 26.821 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.490 28.321 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.016 29.173 -0.741 1.00 0.00 H new ATOM 125 N PRO A 9 0.425 27.233 4.181 1.00 0.00 N ATOM 126 CA PRO A 9 1.096 26.693 5.377 1.00 0.00 C ATOM 127 C PRO A 9 1.311 25.212 5.100 1.00 0.00 C ATOM 128 O PRO A 9 1.092 24.733 4.005 1.00 0.00 O ATOM 129 CB PRO A 9 0.111 27.020 6.511 1.00 0.00 C ATOM 130 CG PRO A 9 -1.277 26.919 5.812 1.00 0.00 C ATOM 131 CD PRO A 9 -1.026 27.510 4.410 1.00 0.00 C ATOM 0 HA PRO A 9 2.074 27.097 5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.199 26.315 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.284 28.015 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.622 25.887 5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.039 27.481 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.651 27.035 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.243 28.578 4.378 1.00 0.00 H new ATOM 139 N GLN A 10 1.765 24.522 6.090 1.00 0.00 N ATOM 140 CA GLN A 10 1.986 23.069 5.901 1.00 0.00 C ATOM 141 C GLN A 10 1.229 22.465 7.061 1.00 0.00 C ATOM 142 O GLN A 10 1.094 23.057 8.116 1.00 0.00 O ATOM 143 CB GLN A 10 3.492 22.704 5.987 1.00 0.00 C ATOM 144 CG GLN A 10 4.324 23.476 4.913 1.00 0.00 C ATOM 145 CD GLN A 10 4.522 24.963 5.265 1.00 0.00 C ATOM 146 OE1 GLN A 10 4.537 25.336 6.515 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 4.674 25.800 4.398 1.00 0.00 N flip ATOM 0 H GLN A 10 1.992 24.890 7.014 1.00 0.00 H new ATOM 0 HA GLN A 10 1.657 22.714 4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.870 22.940 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.617 21.631 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.299 23.000 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.823 23.400 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.665 25.525 3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.811 26.778 4.652 1.00 0.00 H new ATOM 156 N ILE A 11 0.763 21.280 6.817 1.00 0.00 N ATOM 157 CA ILE A 11 -0.002 20.554 7.865 1.00 0.00 C ATOM 158 C ILE A 11 1.171 19.810 8.499 1.00 0.00 C ATOM 159 O ILE A 11 2.146 19.573 7.813 1.00 0.00 O ATOM 160 CB ILE A 11 -1.019 19.567 7.206 1.00 0.00 C ATOM 161 CG1 ILE A 11 -1.711 20.258 6.002 1.00 0.00 C ATOM 162 CG2 ILE A 11 -2.142 19.230 8.243 1.00 0.00 C ATOM 163 CD1 ILE A 11 -2.617 19.252 5.280 1.00 0.00 C ATOM 0 H ILE A 11 0.877 20.779 5.936 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.606 21.156 8.544 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.486 18.672 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.298 21.109 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.961 20.647 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.858 18.542 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.697 18.767 9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.655 20.147 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.102 19.740 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.018 18.415 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.376 18.885 5.971 1.00 0.00 H new ATOM 175 N GLU A 12 1.078 19.483 9.762 1.00 0.00 N ATOM 176 CA GLU A 12 2.185 18.743 10.471 1.00 0.00 C ATOM 177 C GLU A 12 3.117 17.941 9.534 1.00 0.00 C ATOM 178 O GLU A 12 4.329 17.983 9.627 1.00 0.00 O ATOM 179 CB GLU A 12 1.562 17.785 11.542 1.00 0.00 C ATOM 180 CG GLU A 12 0.026 17.562 11.353 1.00 0.00 C ATOM 181 CD GLU A 12 -0.860 18.732 11.853 1.00 0.00 C ATOM 182 OE1 GLU A 12 -0.331 19.700 12.381 1.00 0.00 O ATOM 183 OE2 GLU A 12 -2.058 18.585 11.672 1.00 0.00 O ATOM 0 H GLU A 12 0.271 19.698 10.348 1.00 0.00 H new ATOM 0 HA GLU A 12 2.813 19.503 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.070 16.822 11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.743 18.195 12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.177 17.396 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.264 16.653 11.880 1.00 0.00 H new ATOM 190 N HIS A 13 2.450 17.244 8.658 1.00 0.00 N ATOM 191 CA HIS A 13 3.085 16.366 7.617 1.00 0.00 C ATOM 192 C HIS A 13 2.347 16.407 6.237 1.00 0.00 C ATOM 193 O HIS A 13 2.155 15.394 5.591 1.00 0.00 O ATOM 194 CB HIS A 13 3.137 14.921 8.256 1.00 0.00 C ATOM 195 CG HIS A 13 2.051 14.813 9.333 1.00 0.00 C ATOM 196 ND1 HIS A 13 2.211 14.380 10.537 1.00 0.00 N ATOM 197 CD2 HIS A 13 0.722 15.164 9.265 1.00 0.00 C ATOM 198 CE1 HIS A 13 1.081 14.458 11.165 1.00 0.00 C ATOM 199 NE2 HIS A 13 0.132 14.937 10.412 1.00 0.00 N ATOM 0 H HIS A 13 1.431 17.245 8.616 1.00 0.00 H new ATOM 0 HA HIS A 13 4.086 16.719 7.367 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.982 14.164 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.119 14.737 8.692 1.00 0.00 H new ATOM 0 HD1 HIS A 13 3.085 14.033 10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.235 15.569 8.390 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.942 14.160 12.194 1.00 0.00 H new ATOM 207 N GLY A 14 1.948 17.588 5.814 1.00 0.00 N ATOM 208 CA GLY A 14 1.232 17.768 4.504 1.00 0.00 C ATOM 209 C GLY A 14 1.658 19.047 3.755 1.00 0.00 C ATOM 210 O GLY A 14 2.459 19.821 4.242 1.00 0.00 O ATOM 0 H GLY A 14 2.092 18.454 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.423 16.902 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.158 17.800 4.685 1.00 0.00 H new ATOM 214 N THR A 15 1.091 19.215 2.584 1.00 0.00 N ATOM 215 CA THR A 15 1.383 20.403 1.711 1.00 0.00 C ATOM 216 C THR A 15 0.078 20.768 0.995 1.00 0.00 C ATOM 217 O THR A 15 -0.885 20.030 1.040 1.00 0.00 O ATOM 218 CB THR A 15 2.466 20.082 0.632 1.00 0.00 C ATOM 219 OG1 THR A 15 3.027 18.816 0.952 1.00 0.00 O ATOM 220 CG2 THR A 15 3.679 21.026 0.756 1.00 0.00 C ATOM 0 H THR A 15 0.419 18.561 2.184 1.00 0.00 H new ATOM 0 HA THR A 15 1.761 21.216 2.330 1.00 0.00 H new ATOM 0 HB THR A 15 1.988 20.154 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.711 18.585 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.414 20.776 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.353 22.057 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.129 20.913 1.742 1.00 0.00 H new ATOM 228 N ILE A 16 0.085 21.891 0.331 1.00 0.00 N ATOM 229 CA ILE A 16 -1.143 22.349 -0.395 1.00 0.00 C ATOM 230 C ILE A 16 -1.321 21.595 -1.721 1.00 0.00 C ATOM 231 O ILE A 16 -0.354 21.242 -2.370 1.00 0.00 O ATOM 232 CB ILE A 16 -1.000 23.891 -0.645 1.00 0.00 C ATOM 233 CG1 ILE A 16 -2.387 24.578 -0.783 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.130 24.196 -1.912 1.00 0.00 C ATOM 235 CD1 ILE A 16 -2.983 24.782 0.627 1.00 0.00 C ATOM 0 H ILE A 16 0.888 22.516 0.257 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.029 22.141 0.205 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.493 24.301 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.285 25.536 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.053 23.965 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.055 25.275 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.867 23.777 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.596 23.749 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.957 25.264 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.097 23.815 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.316 25.411 1.216 1.00 0.00 H new ATOM 247 N ASN A 17 -2.566 21.378 -2.067 1.00 0.00 N ATOM 248 CA ASN A 17 -2.904 20.663 -3.338 1.00 0.00 C ATOM 249 C ASN A 17 -3.753 21.614 -4.194 1.00 0.00 C ATOM 250 O ASN A 17 -4.901 21.367 -4.512 1.00 0.00 O ATOM 251 CB ASN A 17 -3.665 19.387 -2.982 1.00 0.00 C ATOM 252 CG ASN A 17 -3.877 18.527 -4.242 1.00 0.00 C ATOM 253 OD1 ASN A 17 -3.103 17.493 -4.432 1.00 0.00 O flip ATOM 254 ND2 ASN A 17 -4.734 18.781 -5.065 1.00 0.00 N flip ATOM 0 H ASN A 17 -3.373 21.670 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.015 20.381 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.110 18.820 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.628 19.641 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.347 19.585 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.840 18.190 -5.889 1.00 0.00 H new ATOM 261 N SER A 18 -3.114 22.702 -4.527 1.00 0.00 N ATOM 262 CA SER A 18 -3.732 23.773 -5.360 1.00 0.00 C ATOM 263 C SER A 18 -2.823 23.918 -6.584 1.00 0.00 C ATOM 264 O SER A 18 -1.838 24.631 -6.523 1.00 0.00 O ATOM 265 CB SER A 18 -3.787 25.062 -4.528 1.00 0.00 C ATOM 266 OG SER A 18 -4.337 26.039 -5.403 1.00 0.00 O ATOM 0 H SER A 18 -2.154 22.899 -4.245 1.00 0.00 H new ATOM 0 HA SER A 18 -4.750 23.547 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.406 24.933 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.794 25.353 -4.185 1.00 0.00 H new ATOM 0 HG SER A 18 -3.774 26.841 -5.393 1.00 0.00 H new ATOM 272 N SER A 19 -3.195 23.238 -7.647 1.00 0.00 N ATOM 273 CA SER A 19 -2.413 23.261 -8.931 1.00 0.00 C ATOM 274 C SER A 19 -0.898 23.336 -8.652 1.00 0.00 C ATOM 275 O SER A 19 -0.231 24.309 -8.949 1.00 0.00 O ATOM 276 CB SER A 19 -2.907 24.479 -9.770 1.00 0.00 C ATOM 277 OG SER A 19 -2.776 25.617 -8.930 1.00 0.00 O ATOM 0 H SER A 19 -4.030 22.653 -7.679 1.00 0.00 H new ATOM 0 HA SER A 19 -2.577 22.341 -9.492 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.313 24.594 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.942 24.343 -10.082 1.00 0.00 H new ATOM 0 HG SER A 19 -3.218 26.385 -9.348 1.00 0.00 H new ATOM 283 N ARG A 20 -0.455 22.245 -8.072 1.00 0.00 N ATOM 284 CA ARG A 20 0.966 21.992 -7.661 1.00 0.00 C ATOM 285 C ARG A 20 1.798 23.277 -7.486 1.00 0.00 C ATOM 286 O ARG A 20 1.740 23.877 -6.429 1.00 0.00 O ATOM 287 CB ARG A 20 1.562 21.049 -8.745 1.00 0.00 C ATOM 288 CG ARG A 20 0.744 19.723 -8.805 1.00 0.00 C ATOM 289 CD ARG A 20 1.013 18.834 -7.551 1.00 0.00 C ATOM 290 NE ARG A 20 2.331 18.117 -7.634 1.00 0.00 N ATOM 291 CZ ARG A 20 3.031 18.062 -8.738 1.00 0.00 C ATOM 292 NH1 ARG A 20 2.653 17.240 -9.679 1.00 0.00 N ATOM 293 NH2 ARG A 20 4.078 18.829 -8.867 1.00 0.00 N ATOM 0 H ARG A 20 -1.071 21.463 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 20 0.993 21.535 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.544 21.542 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.606 20.832 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.320 19.952 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.007 19.171 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.996 19.456 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.210 18.104 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 20 2.693 17.656 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.827 16.657 -9.545 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.184 17.181 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.343 19.462 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.632 18.796 -9.723 1.00 0.00 H new ATOM 307 N SER A 21 2.534 23.660 -8.499 1.00 0.00 N ATOM 308 CA SER A 21 3.367 24.893 -8.418 1.00 0.00 C ATOM 309 C SER A 21 2.939 25.763 -9.603 1.00 0.00 C ATOM 310 O SER A 21 3.420 25.613 -10.712 1.00 0.00 O ATOM 311 CB SER A 21 4.848 24.486 -8.506 1.00 0.00 C ATOM 312 OG SER A 21 5.554 25.713 -8.378 1.00 0.00 O ATOM 0 H SER A 21 2.592 23.163 -9.388 1.00 0.00 H new ATOM 0 HA SER A 21 3.236 25.444 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.117 23.787 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.071 23.995 -9.453 1.00 0.00 H new ATOM 0 HG SER A 21 6.518 25.542 -8.422 1.00 0.00 H new ATOM 318 N SER A 22 2.025 26.643 -9.300 1.00 0.00 N ATOM 319 CA SER A 22 1.453 27.600 -10.286 1.00 0.00 C ATOM 320 C SER A 22 1.713 29.024 -9.787 1.00 0.00 C ATOM 321 O SER A 22 2.267 29.851 -10.485 1.00 0.00 O ATOM 322 CB SER A 22 -0.045 27.289 -10.395 1.00 0.00 C ATOM 323 OG SER A 22 -0.543 27.323 -9.063 1.00 0.00 O ATOM 0 H SER A 22 1.634 26.740 -8.363 1.00 0.00 H new ATOM 0 HA SER A 22 1.907 27.509 -11.273 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.553 28.022 -11.022 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.210 26.312 -10.850 1.00 0.00 H new ATOM 0 HG SER A 22 -1.324 26.736 -8.991 1.00 0.00 H new ATOM 329 N GLN A 23 1.287 29.238 -8.571 1.00 0.00 N ATOM 330 CA GLN A 23 1.438 30.556 -7.886 1.00 0.00 C ATOM 331 C GLN A 23 2.337 30.435 -6.655 1.00 0.00 C ATOM 332 O GLN A 23 2.632 29.352 -6.187 1.00 0.00 O ATOM 333 CB GLN A 23 0.042 31.057 -7.463 1.00 0.00 C ATOM 334 CG GLN A 23 -0.553 31.975 -8.539 1.00 0.00 C ATOM 335 CD GLN A 23 -1.961 32.385 -8.091 1.00 0.00 C ATOM 336 OE1 GLN A 23 -2.917 31.655 -8.259 1.00 0.00 O ATOM 337 NE2 GLN A 23 -2.132 33.542 -7.510 1.00 0.00 N ATOM 0 H GLN A 23 0.824 28.527 -8.004 1.00 0.00 H new ATOM 0 HA GLN A 23 1.902 31.263 -8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.620 30.207 -7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.114 31.595 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.074 32.856 -8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.594 31.460 -9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.335 34.162 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.062 33.825 -7.202 1.00 0.00 H new ATOM 346 N GLU A 24 2.728 31.589 -6.180 1.00 0.00 N ATOM 347 CA GLU A 24 3.608 31.697 -4.982 1.00 0.00 C ATOM 348 C GLU A 24 2.785 32.395 -3.911 1.00 0.00 C ATOM 349 O GLU A 24 2.803 32.016 -2.755 1.00 0.00 O ATOM 350 CB GLU A 24 4.860 32.532 -5.317 1.00 0.00 C ATOM 351 CG GLU A 24 5.698 31.873 -6.445 1.00 0.00 C ATOM 352 CD GLU A 24 6.249 30.494 -6.014 1.00 0.00 C ATOM 353 OE1 GLU A 24 5.471 29.552 -6.014 1.00 0.00 O ATOM 354 OE2 GLU A 24 7.428 30.461 -5.702 1.00 0.00 O ATOM 0 H GLU A 24 2.465 32.487 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 24 3.946 30.716 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.559 33.534 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.474 32.643 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.081 31.757 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.526 32.528 -6.714 1.00 0.00 H new ATOM 361 N SER A 25 2.087 33.405 -4.361 1.00 0.00 N ATOM 362 CA SER A 25 1.217 34.206 -3.461 1.00 0.00 C ATOM 363 C SER A 25 -0.237 33.932 -3.839 1.00 0.00 C ATOM 364 O SER A 25 -0.543 33.550 -4.952 1.00 0.00 O ATOM 365 CB SER A 25 1.535 35.704 -3.638 1.00 0.00 C ATOM 366 OG SER A 25 1.305 35.990 -5.014 1.00 0.00 O ATOM 0 H SER A 25 2.086 33.711 -5.334 1.00 0.00 H new ATOM 0 HA SER A 25 1.390 33.934 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.899 36.317 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.567 35.920 -3.361 1.00 0.00 H new ATOM 0 HG SER A 25 1.491 36.937 -5.187 1.00 0.00 H new ATOM 372 N TYR A 26 -1.077 34.150 -2.867 1.00 0.00 N ATOM 373 CA TYR A 26 -2.544 33.942 -3.029 1.00 0.00 C ATOM 374 C TYR A 26 -3.218 35.235 -2.608 1.00 0.00 C ATOM 375 O TYR A 26 -2.579 36.084 -2.022 1.00 0.00 O ATOM 376 CB TYR A 26 -2.958 32.749 -2.140 1.00 0.00 C ATOM 377 CG TYR A 26 -2.162 31.535 -2.649 1.00 0.00 C ATOM 378 CD1 TYR A 26 -0.845 31.377 -2.267 1.00 0.00 C ATOM 379 CD2 TYR A 26 -2.727 30.610 -3.505 1.00 0.00 C ATOM 380 CE1 TYR A 26 -0.100 30.319 -2.729 1.00 0.00 C ATOM 381 CE2 TYR A 26 -1.977 29.546 -3.969 1.00 0.00 C ATOM 382 CZ TYR A 26 -0.658 29.394 -3.583 1.00 0.00 C ATOM 383 OH TYR A 26 0.098 28.333 -4.038 1.00 0.00 O ATOM 0 H TYR A 26 -0.800 34.473 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.834 33.709 -4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.734 32.949 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.031 32.567 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.395 32.094 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.757 30.718 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.929 30.212 -2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.425 28.827 -4.639 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.446 27.774 -4.631 1.00 0.00 H new ATOM 393 N ALA A 27 -4.484 35.360 -2.894 1.00 0.00 N ATOM 394 CA ALA A 27 -5.196 36.616 -2.506 1.00 0.00 C ATOM 395 C ALA A 27 -5.801 36.456 -1.115 1.00 0.00 C ATOM 396 O ALA A 27 -5.644 35.439 -0.467 1.00 0.00 O ATOM 397 CB ALA A 27 -6.308 36.900 -3.537 1.00 0.00 C ATOM 0 H ALA A 27 -5.052 34.660 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.494 37.449 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.834 37.815 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.866 37.018 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.012 36.068 -3.552 1.00 0.00 H new ATOM 403 N HIS A 28 -6.480 37.492 -0.708 1.00 0.00 N ATOM 404 CA HIS A 28 -7.141 37.495 0.627 1.00 0.00 C ATOM 405 C HIS A 28 -8.531 36.930 0.348 1.00 0.00 C ATOM 406 O HIS A 28 -9.178 37.300 -0.614 1.00 0.00 O ATOM 407 CB HIS A 28 -7.238 38.926 1.153 1.00 0.00 C ATOM 408 CG HIS A 28 -7.839 39.827 0.071 1.00 0.00 C ATOM 409 ND1 HIS A 28 -7.169 40.470 -0.827 1.00 0.00 N ATOM 410 CD2 HIS A 28 -9.156 40.140 -0.193 1.00 0.00 C ATOM 411 CE1 HIS A 28 -7.986 41.127 -1.587 1.00 0.00 C ATOM 412 NE2 HIS A 28 -9.235 40.951 -1.229 1.00 0.00 N ATOM 0 H HIS A 28 -6.606 38.347 -1.250 1.00 0.00 H new ATOM 0 HA HIS A 28 -6.599 36.919 1.377 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.857 38.954 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.250 39.289 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.002 39.773 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.676 41.746 -2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.073 41.349 -1.653 1.00 0.00 H new ATOM 420 N GLY A 29 -8.948 36.038 1.202 1.00 0.00 N ATOM 421 CA GLY A 29 -10.280 35.404 1.034 1.00 0.00 C ATOM 422 C GLY A 29 -10.012 34.259 0.047 1.00 0.00 C ATOM 423 O GLY A 29 -10.848 33.940 -0.776 1.00 0.00 O ATOM 0 H GLY A 29 -8.418 35.720 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.670 35.033 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.013 36.109 0.641 1.00 0.00 H new ATOM 427 N THR A 30 -8.838 33.680 0.175 1.00 0.00 N ATOM 428 CA THR A 30 -8.431 32.553 -0.715 1.00 0.00 C ATOM 429 C THR A 30 -8.425 31.270 0.085 1.00 0.00 C ATOM 430 O THR A 30 -7.752 31.153 1.088 1.00 0.00 O ATOM 431 CB THR A 30 -7.017 32.762 -1.289 1.00 0.00 C ATOM 432 OG1 THR A 30 -7.139 33.864 -2.178 1.00 0.00 O ATOM 433 CG2 THR A 30 -6.638 31.542 -2.172 1.00 0.00 C ATOM 0 H THR A 30 -8.140 33.948 0.869 1.00 0.00 H new ATOM 0 HA THR A 30 -9.142 32.507 -1.540 1.00 0.00 H new ATOM 0 HB THR A 30 -6.283 32.903 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.737 33.634 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.638 31.685 -2.581 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.656 30.635 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.354 31.448 -2.989 1.00 0.00 H new ATOM 441 N LYS A 31 -9.197 30.354 -0.427 1.00 0.00 N ATOM 442 CA LYS A 31 -9.334 29.017 0.203 1.00 0.00 C ATOM 443 C LYS A 31 -8.888 27.970 -0.810 1.00 0.00 C ATOM 444 O LYS A 31 -9.490 27.774 -1.846 1.00 0.00 O ATOM 445 CB LYS A 31 -10.823 28.783 0.639 1.00 0.00 C ATOM 446 CG LYS A 31 -11.772 29.710 -0.155 1.00 0.00 C ATOM 447 CD LYS A 31 -13.266 29.364 0.057 1.00 0.00 C ATOM 448 CE LYS A 31 -13.695 29.545 1.528 1.00 0.00 C ATOM 449 NZ LYS A 31 -15.162 29.305 1.646 1.00 0.00 N ATOM 0 H LYS A 31 -9.750 30.481 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.713 28.946 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.098 27.742 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.929 28.973 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.597 30.743 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.535 29.641 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.880 30.000 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.447 28.334 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.149 28.851 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.451 30.551 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.455 29.426 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.674 29.984 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.381 28.337 1.336 1.00 0.00 H new ATOM 463 N LEU A 32 -7.811 27.339 -0.432 1.00 0.00 N ATOM 464 CA LEU A 32 -7.174 26.270 -1.260 1.00 0.00 C ATOM 465 C LEU A 32 -7.511 24.931 -0.596 1.00 0.00 C ATOM 466 O LEU A 32 -7.937 24.930 0.543 1.00 0.00 O ATOM 467 CB LEU A 32 -5.666 26.492 -1.253 1.00 0.00 C ATOM 468 CG LEU A 32 -5.289 27.941 -1.640 1.00 0.00 C ATOM 469 CD1 LEU A 32 -3.764 28.094 -1.457 1.00 0.00 C ATOM 470 CD2 LEU A 32 -5.656 28.235 -3.111 1.00 0.00 C ATOM 0 H LEU A 32 -7.328 27.526 0.447 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.530 26.284 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.272 26.268 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.195 25.797 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.837 28.641 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.466 29.108 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.501 27.899 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.247 27.383 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.380 29.261 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.118 27.548 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.729 28.104 -3.251 1.00 0.00 H new ATOM 482 N SER A 33 -7.298 23.846 -1.301 1.00 0.00 N ATOM 483 CA SER A 33 -7.605 22.503 -0.703 1.00 0.00 C ATOM 484 C SER A 33 -6.277 21.956 -0.182 1.00 0.00 C ATOM 485 O SER A 33 -5.232 22.500 -0.490 1.00 0.00 O ATOM 486 CB SER A 33 -8.135 21.530 -1.748 1.00 0.00 C ATOM 487 OG SER A 33 -9.121 22.252 -2.471 1.00 0.00 O ATOM 0 H SER A 33 -6.930 23.828 -2.252 1.00 0.00 H new ATOM 0 HA SER A 33 -8.363 22.610 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.337 21.188 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.562 20.644 -1.279 1.00 0.00 H new ATOM 0 HG SER A 33 -9.957 22.264 -1.960 1.00 0.00 H new ATOM 493 N TYR A 34 -6.330 20.894 0.581 1.00 0.00 N ATOM 494 CA TYR A 34 -5.048 20.344 1.115 1.00 0.00 C ATOM 495 C TYR A 34 -4.868 18.853 0.829 1.00 0.00 C ATOM 496 O TYR A 34 -5.794 18.145 0.482 1.00 0.00 O ATOM 497 CB TYR A 34 -5.071 20.597 2.625 1.00 0.00 C ATOM 498 CG TYR A 34 -4.050 21.668 2.959 1.00 0.00 C ATOM 499 CD1 TYR A 34 -2.706 21.423 2.833 1.00 0.00 C ATOM 500 CD2 TYR A 34 -4.483 22.907 3.372 1.00 0.00 C ATOM 501 CE1 TYR A 34 -1.788 22.407 3.109 1.00 0.00 C ATOM 502 CE2 TYR A 34 -3.563 23.884 3.649 1.00 0.00 C ATOM 503 CZ TYR A 34 -2.227 23.639 3.518 1.00 0.00 C ATOM 504 OH TYR A 34 -1.344 24.645 3.797 1.00 0.00 O ATOM 0 H TYR A 34 -7.178 20.396 0.851 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.208 20.835 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.066 20.913 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.844 19.678 3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.367 20.448 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.539 23.108 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.731 22.212 3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.899 24.858 3.974 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.443 24.375 3.521 1.00 0.00 H new ATOM 514 N THR A 35 -3.638 18.450 0.999 1.00 0.00 N ATOM 515 CA THR A 35 -3.218 17.032 0.797 1.00 0.00 C ATOM 516 C THR A 35 -2.043 16.723 1.725 1.00 0.00 C ATOM 517 O THR A 35 -1.247 17.593 2.009 1.00 0.00 O ATOM 518 CB THR A 35 -2.796 16.863 -0.650 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.007 16.905 -1.393 1.00 0.00 O ATOM 520 CG2 THR A 35 -2.146 15.493 -0.952 1.00 0.00 C ATOM 0 H THR A 35 -2.878 19.070 1.280 1.00 0.00 H new ATOM 0 HA THR A 35 -4.038 16.350 1.024 1.00 0.00 H new ATOM 0 HB THR A 35 -2.063 17.632 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.914 16.359 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.871 15.445 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.254 15.370 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.855 14.696 -0.726 1.00 0.00 H new ATOM 528 N CYS A 36 -1.950 15.499 2.172 1.00 0.00 N ATOM 529 CA CYS A 36 -0.822 15.119 3.072 1.00 0.00 C ATOM 530 C CYS A 36 -0.089 13.919 2.480 1.00 0.00 C ATOM 531 O CYS A 36 -0.580 13.307 1.550 1.00 0.00 O ATOM 532 CB CYS A 36 -1.382 14.789 4.479 1.00 0.00 C ATOM 533 SG CYS A 36 -1.843 16.207 5.509 1.00 0.00 S ATOM 0 H CYS A 36 -2.604 14.748 1.954 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.116 15.944 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.259 14.154 4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.636 14.203 5.016 1.00 0.00 H new ATOM 538 N GLU A 37 1.068 13.635 3.030 1.00 0.00 N ATOM 539 CA GLU A 37 1.916 12.491 2.565 1.00 0.00 C ATOM 540 C GLU A 37 1.168 11.217 2.134 1.00 0.00 C ATOM 541 O GLU A 37 0.044 10.989 2.538 1.00 0.00 O ATOM 542 CB GLU A 37 2.897 12.137 3.686 1.00 0.00 C ATOM 543 CG GLU A 37 2.151 12.001 5.024 1.00 0.00 C ATOM 544 CD GLU A 37 2.987 11.130 5.968 1.00 0.00 C ATOM 545 OE1 GLU A 37 3.016 9.943 5.690 1.00 0.00 O ATOM 546 OE2 GLU A 37 3.545 11.679 6.904 1.00 0.00 O ATOM 0 H GLU A 37 1.470 14.164 3.804 1.00 0.00 H new ATOM 0 HA GLU A 37 2.406 12.843 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.408 11.204 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.663 12.908 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.985 12.984 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.170 11.552 4.866 1.00 0.00 H new ATOM 553 N GLY A 38 1.832 10.423 1.329 1.00 0.00 N ATOM 554 CA GLY A 38 1.214 9.154 0.836 1.00 0.00 C ATOM 555 C GLY A 38 0.824 8.256 2.014 1.00 0.00 C ATOM 556 O GLY A 38 1.661 7.868 2.806 1.00 0.00 O ATOM 0 H GLY A 38 2.778 10.601 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.333 9.381 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.915 8.629 0.187 1.00 0.00 H new ATOM 560 N GLY A 39 -0.451 7.970 2.074 1.00 0.00 N ATOM 561 CA GLY A 39 -1.017 7.112 3.150 1.00 0.00 C ATOM 562 C GLY A 39 -2.059 7.923 3.910 1.00 0.00 C ATOM 563 O GLY A 39 -3.238 7.649 3.801 1.00 0.00 O ATOM 0 H GLY A 39 -1.140 8.307 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.470 6.217 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.228 6.780 3.825 1.00 0.00 H new ATOM 567 N PHE A 40 -1.564 8.885 4.657 1.00 0.00 N ATOM 568 CA PHE A 40 -2.403 9.812 5.491 1.00 0.00 C ATOM 569 C PHE A 40 -3.852 10.000 5.039 1.00 0.00 C ATOM 570 O PHE A 40 -4.143 10.100 3.863 1.00 0.00 O ATOM 571 CB PHE A 40 -1.683 11.174 5.526 1.00 0.00 C ATOM 572 CG PHE A 40 -0.808 11.233 6.782 1.00 0.00 C ATOM 573 CD1 PHE A 40 0.236 10.355 6.996 1.00 0.00 C ATOM 574 CD2 PHE A 40 -1.074 12.184 7.735 1.00 0.00 C ATOM 575 CE1 PHE A 40 0.992 10.439 8.147 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.326 12.267 8.875 1.00 0.00 C ATOM 577 CZ PHE A 40 0.708 11.399 9.086 1.00 0.00 C ATOM 0 H PHE A 40 -0.564 9.073 4.725 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.496 9.349 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.071 11.302 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.410 11.986 5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.462 9.599 6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.887 12.878 7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.807 9.749 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.553 13.022 9.613 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.299 11.468 9.987 1.00 0.00 H new ATOM 587 N ARG A 41 -4.714 10.051 6.020 1.00 0.00 N ATOM 588 CA ARG A 41 -6.170 10.229 5.779 1.00 0.00 C ATOM 589 C ARG A 41 -6.430 11.645 6.299 1.00 0.00 C ATOM 590 O ARG A 41 -5.880 12.014 7.317 1.00 0.00 O ATOM 591 CB ARG A 41 -6.873 9.108 6.577 1.00 0.00 C ATOM 592 CG ARG A 41 -6.266 7.758 6.078 1.00 0.00 C ATOM 593 CD ARG A 41 -6.936 6.519 6.688 1.00 0.00 C ATOM 594 NE ARG A 41 -6.694 6.480 8.162 1.00 0.00 N ATOM 595 CZ ARG A 41 -7.695 6.258 8.972 1.00 0.00 C ATOM 596 NH1 ARG A 41 -8.389 7.263 9.429 1.00 0.00 N ATOM 597 NH2 ARG A 41 -7.967 5.024 9.300 1.00 0.00 N ATOM 0 H ARG A 41 -4.458 9.974 7.004 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.528 10.149 4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.710 9.234 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.950 9.133 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.352 7.710 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.202 7.739 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.007 6.539 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.541 5.616 6.222 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.755 6.625 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.149 8.215 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.172 7.097 10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.403 4.261 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.743 4.823 9.931 1.00 0.00 H new ATOM 611 N ILE A 42 -7.255 12.383 5.599 1.00 0.00 N ATOM 612 CA ILE A 42 -7.563 13.785 6.018 1.00 0.00 C ATOM 613 C ILE A 42 -9.010 13.900 6.509 1.00 0.00 C ATOM 614 O ILE A 42 -9.935 13.477 5.842 1.00 0.00 O ATOM 615 CB ILE A 42 -7.238 14.671 4.754 1.00 0.00 C ATOM 616 CG1 ILE A 42 -7.058 16.170 5.113 1.00 0.00 C ATOM 617 CG2 ILE A 42 -8.393 14.590 3.724 1.00 0.00 C ATOM 618 CD1 ILE A 42 -6.240 16.862 3.991 1.00 0.00 C ATOM 0 H ILE A 42 -7.731 12.073 4.751 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.969 14.121 6.868 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.307 14.279 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.030 16.651 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.545 16.269 6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.152 15.207 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.526 13.556 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.314 14.950 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.108 17.916 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.264 16.385 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.772 16.772 3.044 1.00 0.00 H new ATOM 630 N SER A 43 -9.145 14.468 7.681 1.00 0.00 N ATOM 631 CA SER A 43 -10.481 14.665 8.306 1.00 0.00 C ATOM 632 C SER A 43 -10.742 16.161 8.436 1.00 0.00 C ATOM 633 O SER A 43 -9.826 16.965 8.446 1.00 0.00 O ATOM 634 CB SER A 43 -10.489 13.985 9.684 1.00 0.00 C ATOM 635 OG SER A 43 -9.263 14.344 10.306 1.00 0.00 O ATOM 0 H SER A 43 -8.364 14.810 8.241 1.00 0.00 H new ATOM 0 HA SER A 43 -11.267 14.222 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.340 14.318 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.574 12.903 9.584 1.00 0.00 H new ATOM 0 HG SER A 43 -8.951 15.200 9.945 1.00 0.00 H new ATOM 641 N GLU A 44 -12.015 16.447 8.538 1.00 0.00 N ATOM 642 CA GLU A 44 -12.519 17.847 8.666 1.00 0.00 C ATOM 643 C GLU A 44 -12.081 18.606 7.402 1.00 0.00 C ATOM 644 O GLU A 44 -11.046 19.241 7.394 1.00 0.00 O ATOM 645 CB GLU A 44 -11.931 18.497 9.955 1.00 0.00 C ATOM 646 CG GLU A 44 -12.516 19.921 10.114 1.00 0.00 C ATOM 647 CD GLU A 44 -12.000 20.549 11.420 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.428 20.072 12.459 1.00 0.00 O ATOM 649 OE2 GLU A 44 -11.204 21.467 11.307 1.00 0.00 O ATOM 0 H GLU A 44 -12.751 15.741 8.538 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.605 17.876 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.175 17.890 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.844 18.542 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.230 20.540 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.605 19.878 10.125 1.00 0.00 H new ATOM 656 N GLU A 45 -12.922 18.474 6.400 1.00 0.00 N ATOM 657 CA GLU A 45 -12.777 19.089 5.033 1.00 0.00 C ATOM 658 C GLU A 45 -11.365 19.618 4.704 1.00 0.00 C ATOM 659 O GLU A 45 -10.911 20.578 5.297 1.00 0.00 O ATOM 660 CB GLU A 45 -13.806 20.241 4.918 1.00 0.00 C ATOM 661 CG GLU A 45 -13.867 20.711 3.452 1.00 0.00 C ATOM 662 CD GLU A 45 -14.674 22.011 3.309 1.00 0.00 C ATOM 663 OE1 GLU A 45 -15.825 22.002 3.718 1.00 0.00 O ATOM 664 OE2 GLU A 45 -14.089 22.948 2.790 1.00 0.00 O ATOM 0 H GLU A 45 -13.773 17.918 6.485 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.957 18.296 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.789 19.903 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.520 21.068 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.856 20.867 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.319 19.932 2.838 1.00 0.00 H new ATOM 671 N ASN A 46 -10.721 18.981 3.756 1.00 0.00 N ATOM 672 CA ASN A 46 -9.340 19.398 3.357 1.00 0.00 C ATOM 673 C ASN A 46 -9.241 20.761 2.649 1.00 0.00 C ATOM 674 O ASN A 46 -9.035 20.843 1.456 1.00 0.00 O ATOM 675 CB ASN A 46 -8.763 18.300 2.453 1.00 0.00 C ATOM 676 CG ASN A 46 -9.705 17.921 1.300 1.00 0.00 C ATOM 677 OD1 ASN A 46 -9.839 16.655 1.042 1.00 0.00 O flip ATOM 678 ND2 ASN A 46 -10.315 18.735 0.635 1.00 0.00 N flip ATOM 0 H ASN A 46 -11.095 18.186 3.239 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.772 19.526 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.811 18.637 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.556 17.414 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.216 19.731 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.927 18.422 -0.119 1.00 0.00 H new ATOM 685 N GLU A 47 -9.379 21.795 3.434 1.00 0.00 N ATOM 686 CA GLU A 47 -9.310 23.188 2.914 1.00 0.00 C ATOM 687 C GLU A 47 -8.767 24.139 3.988 1.00 0.00 C ATOM 688 O GLU A 47 -8.952 23.931 5.171 1.00 0.00 O ATOM 689 CB GLU A 47 -10.721 23.692 2.489 1.00 0.00 C ATOM 690 CG GLU A 47 -10.958 23.609 0.950 1.00 0.00 C ATOM 691 CD GLU A 47 -11.354 22.220 0.397 1.00 0.00 C ATOM 692 OE1 GLU A 47 -11.722 21.349 1.162 1.00 0.00 O ATOM 693 OE2 GLU A 47 -11.272 22.105 -0.813 1.00 0.00 O ATOM 0 H GLU A 47 -9.541 21.729 4.439 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.645 23.179 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.481 23.102 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.846 24.724 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.740 24.320 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.048 23.933 0.445 1.00 0.00 H new ATOM 700 N THR A 48 -8.111 25.157 3.508 1.00 0.00 N ATOM 701 CA THR A 48 -7.507 26.215 4.374 1.00 0.00 C ATOM 702 C THR A 48 -7.972 27.534 3.772 1.00 0.00 C ATOM 703 O THR A 48 -8.376 27.553 2.628 1.00 0.00 O ATOM 704 CB THR A 48 -5.975 26.152 4.325 1.00 0.00 C ATOM 705 OG1 THR A 48 -5.513 27.231 5.129 1.00 0.00 O ATOM 706 CG2 THR A 48 -5.438 26.434 2.881 1.00 0.00 C ATOM 0 H THR A 48 -7.962 25.307 2.510 1.00 0.00 H new ATOM 0 HA THR A 48 -7.806 26.094 5.415 1.00 0.00 H new ATOM 0 HB THR A 48 -5.642 25.167 4.652 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.533 27.238 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.349 26.382 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.837 25.689 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.754 27.428 2.563 1.00 0.00 H new ATOM 714 N THR A 49 -7.894 28.582 4.543 1.00 0.00 N ATOM 715 CA THR A 49 -8.323 29.920 4.039 1.00 0.00 C ATOM 716 C THR A 49 -7.233 30.936 4.391 1.00 0.00 C ATOM 717 O THR A 49 -6.476 30.720 5.318 1.00 0.00 O ATOM 718 CB THR A 49 -9.668 30.298 4.708 1.00 0.00 C ATOM 719 OG1 THR A 49 -10.561 29.257 4.324 1.00 0.00 O ATOM 720 CG2 THR A 49 -10.260 31.585 4.092 1.00 0.00 C ATOM 0 H THR A 49 -7.551 28.571 5.504 1.00 0.00 H new ATOM 0 HA THR A 49 -8.465 29.908 2.958 1.00 0.00 H new ATOM 0 HB THR A 49 -9.530 30.436 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.445 29.424 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.203 31.823 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.561 32.410 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.434 31.432 3.027 1.00 0.00 H new ATOM 728 N CYS A 50 -7.203 32.008 3.637 1.00 0.00 N ATOM 729 CA CYS A 50 -6.198 33.092 3.853 1.00 0.00 C ATOM 730 C CYS A 50 -6.879 34.393 4.253 1.00 0.00 C ATOM 731 O CYS A 50 -7.816 34.826 3.615 1.00 0.00 O ATOM 732 CB CYS A 50 -5.410 33.357 2.572 1.00 0.00 C ATOM 733 SG CYS A 50 -4.451 34.892 2.535 1.00 0.00 S ATOM 0 H CYS A 50 -7.847 32.179 2.865 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.531 32.758 4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.729 32.522 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.108 33.367 1.735 1.00 0.00 H new ATOM 738 N TYR A 51 -6.358 34.967 5.300 1.00 0.00 N ATOM 739 CA TYR A 51 -6.877 36.243 5.850 1.00 0.00 C ATOM 740 C TYR A 51 -5.672 37.153 6.114 1.00 0.00 C ATOM 741 O TYR A 51 -4.692 36.718 6.678 1.00 0.00 O ATOM 742 CB TYR A 51 -7.643 35.896 7.129 1.00 0.00 C ATOM 743 CG TYR A 51 -8.283 37.142 7.751 1.00 0.00 C ATOM 744 CD1 TYR A 51 -8.978 38.050 6.973 1.00 0.00 C ATOM 745 CD2 TYR A 51 -8.178 37.364 9.109 1.00 0.00 C ATOM 746 CE1 TYR A 51 -9.555 39.159 7.546 1.00 0.00 C ATOM 747 CE2 TYR A 51 -8.757 38.474 9.681 1.00 0.00 C ATOM 748 CZ TYR A 51 -9.449 39.379 8.903 1.00 0.00 C ATOM 749 OH TYR A 51 -10.031 40.491 9.477 1.00 0.00 O ATOM 0 H TYR A 51 -5.563 34.586 5.814 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.552 36.767 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.416 35.161 6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.965 35.436 7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.068 37.887 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.638 36.662 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.095 39.862 6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.669 38.637 10.745 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.859 40.489 10.442 1.00 0.00 H new ATOM 759 N MET A 52 -5.787 38.390 5.709 1.00 0.00 N ATOM 760 CA MET A 52 -4.696 39.410 5.884 1.00 0.00 C ATOM 761 C MET A 52 -3.240 38.919 5.619 1.00 0.00 C ATOM 762 O MET A 52 -2.305 39.395 6.234 1.00 0.00 O ATOM 763 CB MET A 52 -4.797 39.961 7.325 1.00 0.00 C ATOM 764 CG MET A 52 -6.114 40.731 7.538 1.00 0.00 C ATOM 765 SD MET A 52 -6.516 41.289 9.216 1.00 0.00 S ATOM 766 CE MET A 52 -4.848 41.435 9.910 1.00 0.00 C ATOM 0 H MET A 52 -6.621 38.753 5.247 1.00 0.00 H new ATOM 0 HA MET A 52 -4.866 40.166 5.117 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.735 39.138 8.037 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.952 40.619 7.525 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.096 41.608 6.891 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.931 40.097 7.193 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.901 41.920 10.885 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.412 40.442 10.022 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.227 42.031 9.242 1.00 0.00 H new ATOM 776 N GLY A 53 -3.080 37.980 4.718 1.00 0.00 N ATOM 777 CA GLY A 53 -1.716 37.441 4.373 1.00 0.00 C ATOM 778 C GLY A 53 -1.258 36.260 5.228 1.00 0.00 C ATOM 779 O GLY A 53 -0.235 35.652 4.976 1.00 0.00 O ATOM 0 H GLY A 53 -3.846 37.554 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.716 37.136 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.988 38.246 4.470 1.00 0.00 H new ATOM 783 N LYS A 54 -2.057 35.987 6.216 1.00 0.00 N ATOM 784 CA LYS A 54 -1.815 34.880 7.182 1.00 0.00 C ATOM 785 C LYS A 54 -2.787 33.766 6.774 1.00 0.00 C ATOM 786 O LYS A 54 -3.877 34.043 6.319 1.00 0.00 O ATOM 787 CB LYS A 54 -2.132 35.424 8.595 1.00 0.00 C ATOM 788 CG LYS A 54 -0.929 35.343 9.561 1.00 0.00 C ATOM 789 CD LYS A 54 -0.876 36.632 10.427 1.00 0.00 C ATOM 790 CE LYS A 54 -2.183 36.859 11.232 1.00 0.00 C ATOM 791 NZ LYS A 54 -2.102 38.159 11.958 1.00 0.00 N ATOM 0 H LYS A 54 -2.911 36.513 6.403 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.792 34.503 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.456 36.462 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.966 34.862 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.020 34.465 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.003 35.232 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.034 36.569 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.696 37.492 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.041 36.859 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.333 36.044 11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.978 38.311 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.292 38.142 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.979 38.932 11.273 1.00 0.00 H new ATOM 805 N TRP A 55 -2.382 32.541 6.949 1.00 0.00 N ATOM 806 CA TRP A 55 -3.259 31.389 6.584 1.00 0.00 C ATOM 807 C TRP A 55 -3.829 30.818 7.873 1.00 0.00 C ATOM 808 O TRP A 55 -3.299 31.046 8.944 1.00 0.00 O ATOM 809 CB TRP A 55 -2.447 30.328 5.899 1.00 0.00 C ATOM 810 CG TRP A 55 -2.154 30.679 4.445 1.00 0.00 C ATOM 811 CD1 TRP A 55 -0.991 31.215 4.011 1.00 0.00 C ATOM 812 CD2 TRP A 55 -2.979 30.469 3.400 1.00 0.00 C ATOM 813 NE1 TRP A 55 -1.177 31.297 2.709 1.00 0.00 N ATOM 814 CE2 TRP A 55 -2.344 30.870 2.244 1.00 0.00 C ATOM 815 CE3 TRP A 55 -4.263 29.948 3.343 1.00 0.00 C ATOM 816 CZ2 TRP A 55 -2.990 30.747 1.033 1.00 0.00 C ATOM 817 CZ3 TRP A 55 -4.903 29.826 2.133 1.00 0.00 C ATOM 818 CH2 TRP A 55 -4.266 30.224 0.983 1.00 0.00 C ATOM 0 H TRP A 55 -1.473 32.283 7.333 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.053 31.717 5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.508 30.189 6.434 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.982 29.379 5.942 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.125 31.504 4.588 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -0.459 31.671 2.089 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.760 29.638 4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.498 31.060 0.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.902 29.419 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.768 30.127 0.032 1.00 0.00 H new ATOM 829 N SER A 56 -4.898 30.082 7.726 1.00 0.00 N ATOM 830 CA SER A 56 -5.543 29.465 8.916 1.00 0.00 C ATOM 831 C SER A 56 -4.964 28.056 9.037 1.00 0.00 C ATOM 832 O SER A 56 -4.329 27.566 8.120 1.00 0.00 O ATOM 833 CB SER A 56 -7.054 29.422 8.679 1.00 0.00 C ATOM 834 OG SER A 56 -7.406 30.782 8.472 1.00 0.00 O ATOM 0 H SER A 56 -5.350 29.883 6.834 1.00 0.00 H new ATOM 0 HA SER A 56 -5.360 30.025 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.305 28.808 7.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.581 28.999 9.534 1.00 0.00 H new ATOM 0 HG SER A 56 -8.370 30.849 8.309 1.00 0.00 H new ATOM 840 N SER A 57 -5.195 27.441 10.167 1.00 0.00 N ATOM 841 CA SER A 57 -4.662 26.065 10.365 1.00 0.00 C ATOM 842 C SER A 57 -5.318 25.157 9.305 1.00 0.00 C ATOM 843 O SER A 57 -6.525 25.211 9.154 1.00 0.00 O ATOM 844 CB SER A 57 -5.018 25.604 11.791 1.00 0.00 C ATOM 845 OG SER A 57 -4.468 24.298 11.886 1.00 0.00 O ATOM 0 H SER A 57 -5.722 27.827 10.950 1.00 0.00 H new ATOM 0 HA SER A 57 -3.579 26.026 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.593 26.270 12.542 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.097 25.594 11.948 1.00 0.00 H new ATOM 0 HG SER A 57 -4.652 23.930 12.775 1.00 0.00 H new ATOM 851 N PRO A 58 -4.543 24.363 8.596 1.00 0.00 N ATOM 852 CA PRO A 58 -5.078 23.352 7.642 1.00 0.00 C ATOM 853 C PRO A 58 -6.108 22.391 8.259 1.00 0.00 C ATOM 854 O PRO A 58 -6.433 22.483 9.425 1.00 0.00 O ATOM 855 CB PRO A 58 -3.830 22.645 7.142 1.00 0.00 C ATOM 856 CG PRO A 58 -2.813 22.856 8.285 1.00 0.00 C ATOM 857 CD PRO A 58 -3.045 24.305 8.619 1.00 0.00 C ATOM 0 HA PRO A 58 -5.653 23.815 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.014 21.586 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.475 23.073 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.007 22.202 9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.789 22.666 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.636 24.575 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.594 24.975 7.887 1.00 0.00 H new ATOM 865 N PRO A 59 -6.595 21.485 7.445 1.00 0.00 N ATOM 866 CA PRO A 59 -7.289 20.256 7.909 1.00 0.00 C ATOM 867 C PRO A 59 -6.459 19.464 8.919 1.00 0.00 C ATOM 868 O PRO A 59 -5.360 19.844 9.277 1.00 0.00 O ATOM 869 CB PRO A 59 -7.569 19.487 6.621 1.00 0.00 C ATOM 870 CG PRO A 59 -6.495 20.032 5.646 1.00 0.00 C ATOM 871 CD PRO A 59 -6.519 21.518 5.956 1.00 0.00 C ATOM 0 HA PRO A 59 -8.205 20.472 8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.474 18.411 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.578 19.671 6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.515 19.592 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.746 19.827 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.626 22.030 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.376 22.021 5.508 1.00 0.00 H new ATOM 879 N GLN A 60 -7.034 18.370 9.337 1.00 0.00 N ATOM 880 CA GLN A 60 -6.355 17.486 10.321 1.00 0.00 C ATOM 881 C GLN A 60 -6.046 16.157 9.653 1.00 0.00 C ATOM 882 O GLN A 60 -6.932 15.336 9.514 1.00 0.00 O ATOM 883 CB GLN A 60 -7.259 17.220 11.557 1.00 0.00 C ATOM 884 CG GLN A 60 -7.077 18.325 12.614 1.00 0.00 C ATOM 885 CD GLN A 60 -7.752 17.868 13.919 1.00 0.00 C ATOM 886 OE1 GLN A 60 -8.962 17.827 14.028 1.00 0.00 O ATOM 887 NE2 GLN A 60 -7.005 17.509 14.931 1.00 0.00 N ATOM 0 H GLN A 60 -7.954 18.049 9.035 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.443 17.979 10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.303 17.175 11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.014 16.251 11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.017 18.517 12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.519 19.259 12.266 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.989 17.539 14.851 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.439 17.199 15.800 1.00 0.00 H new ATOM 896 N CYS A 61 -4.816 15.977 9.233 1.00 0.00 N ATOM 897 CA CYS A 61 -4.496 14.671 8.593 1.00 0.00 C ATOM 898 C CYS A 61 -3.837 13.839 9.704 1.00 0.00 C ATOM 899 O CYS A 61 -3.132 14.355 10.550 1.00 0.00 O ATOM 900 CB CYS A 61 -3.493 14.804 7.447 1.00 0.00 C ATOM 901 SG CYS A 61 -3.764 15.920 6.054 1.00 0.00 S ATOM 0 H CYS A 61 -4.052 16.649 9.302 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.401 14.232 8.174 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.541 15.089 7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.362 13.806 7.028 1.00 0.00 H new ATOM 906 N GLU A 62 -4.111 12.568 9.622 1.00 0.00 N ATOM 907 CA GLU A 62 -3.613 11.524 10.572 1.00 0.00 C ATOM 908 C GLU A 62 -4.404 10.256 10.223 1.00 0.00 C ATOM 909 O GLU A 62 -4.962 10.175 9.145 1.00 0.00 O ATOM 910 CB GLU A 62 -3.879 11.960 12.058 1.00 0.00 C ATOM 911 CG GLU A 62 -5.389 12.231 12.322 1.00 0.00 C ATOM 912 CD GLU A 62 -5.561 13.047 13.620 1.00 0.00 C ATOM 913 OE1 GLU A 62 -5.198 12.508 14.655 1.00 0.00 O ATOM 914 OE2 GLU A 62 -6.045 14.163 13.506 1.00 0.00 O ATOM 0 H GLU A 62 -4.701 12.184 8.884 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.538 11.367 10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.527 11.181 12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.304 12.859 12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.822 12.774 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.927 11.287 12.403 1.00 0.00 H new ATOM 921 N GLY A 63 -4.437 9.295 11.107 1.00 0.00 N ATOM 922 CA GLY A 63 -5.197 8.042 10.797 1.00 0.00 C ATOM 923 C GLY A 63 -4.203 6.949 10.395 1.00 0.00 C ATOM 924 O GLY A 63 -4.531 5.777 10.378 1.00 0.00 O ATOM 0 H GLY A 63 -3.979 9.318 12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.774 7.726 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.908 8.221 9.990 1.00 0.00 H new ATOM 928 N LEU A 64 -3.005 7.388 10.086 1.00 0.00 N ATOM 929 CA LEU A 64 -1.916 6.479 9.662 1.00 0.00 C ATOM 930 C LEU A 64 -1.189 5.763 10.808 1.00 0.00 C ATOM 931 O LEU A 64 -0.893 6.367 11.820 1.00 0.00 O ATOM 932 CB LEU A 64 -0.917 7.340 8.830 1.00 0.00 C ATOM 933 CG LEU A 64 -0.937 7.078 7.303 1.00 0.00 C ATOM 934 CD1 LEU A 64 0.096 6.011 7.001 1.00 0.00 C ATOM 935 CD2 LEU A 64 -2.314 6.620 6.783 1.00 0.00 C ATOM 0 H LEU A 64 -2.739 8.372 10.114 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.356 5.667 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.136 8.393 9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.092 7.158 9.201 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.713 8.017 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.104 5.805 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.081 6.360 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.153 5.099 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.260 6.454 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.600 5.693 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.057 7.389 6.994 1.00 0.00 H new ATOM 947 N PRO A 65 -0.908 4.488 10.622 1.00 0.00 N ATOM 948 CA PRO A 65 0.050 3.754 11.483 1.00 0.00 C ATOM 949 C PRO A 65 1.407 4.453 11.541 1.00 0.00 C ATOM 950 O PRO A 65 1.969 4.811 10.523 1.00 0.00 O ATOM 951 CB PRO A 65 0.102 2.339 10.863 1.00 0.00 C ATOM 952 CG PRO A 65 -0.313 2.587 9.393 1.00 0.00 C ATOM 953 CD PRO A 65 -1.454 3.589 9.555 1.00 0.00 C ATOM 0 HA PRO A 65 -0.255 3.713 12.529 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.099 1.904 10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.581 1.653 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.506 2.993 8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.640 1.671 8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.662 4.128 8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.383 3.108 9.859 1.00 0.00 H new ATOM 961 N CYS A 66 1.886 4.617 12.745 1.00 0.00 N ATOM 962 CA CYS A 66 3.208 5.276 12.949 1.00 0.00 C ATOM 963 C CYS A 66 4.185 4.129 13.157 1.00 0.00 C ATOM 964 O CYS A 66 3.813 2.971 13.191 1.00 0.00 O ATOM 965 CB CYS A 66 3.219 6.170 14.224 1.00 0.00 C ATOM 966 SG CYS A 66 2.993 7.959 14.100 1.00 0.00 S ATOM 0 H CYS A 66 1.416 4.321 13.600 1.00 0.00 H new ATOM 0 HA CYS A 66 3.453 5.918 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.439 5.794 14.886 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.172 6.001 14.726 1.00 0.00 H new ATOM 971 N LYS A 67 5.415 4.524 13.298 1.00 0.00 N ATOM 972 CA LYS A 67 6.505 3.538 13.515 1.00 0.00 C ATOM 973 C LYS A 67 6.703 3.568 15.038 1.00 0.00 C ATOM 974 O LYS A 67 5.949 4.206 15.753 1.00 0.00 O ATOM 975 CB LYS A 67 7.800 4.007 12.824 1.00 0.00 C ATOM 976 CG LYS A 67 7.518 4.653 11.442 1.00 0.00 C ATOM 977 CD LYS A 67 8.839 5.226 10.878 1.00 0.00 C ATOM 978 CE LYS A 67 8.552 6.101 9.648 1.00 0.00 C ATOM 979 NZ LYS A 67 7.779 5.341 8.624 1.00 0.00 N ATOM 0 H LYS A 67 5.716 5.498 13.272 1.00 0.00 H new ATOM 0 HA LYS A 67 6.269 2.551 13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.312 4.726 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.472 3.158 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.105 3.912 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.775 5.445 11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.345 5.815 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.511 4.412 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.992 6.986 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.491 6.449 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.828 5.839 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.183 4.388 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.786 5.265 8.924 1.00 0.00 H new ATOM 993 N SER A 68 7.707 2.883 15.506 1.00 0.00 N ATOM 994 CA SER A 68 7.964 2.876 16.976 1.00 0.00 C ATOM 995 C SER A 68 8.617 4.252 17.218 1.00 0.00 C ATOM 996 O SER A 68 8.807 4.993 16.271 1.00 0.00 O ATOM 997 CB SER A 68 8.925 1.714 17.292 1.00 0.00 C ATOM 998 OG SER A 68 8.298 1.058 18.386 1.00 0.00 O ATOM 0 H SER A 68 8.356 2.332 14.944 1.00 0.00 H new ATOM 0 HA SER A 68 7.084 2.732 17.603 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.044 1.047 16.438 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.919 2.075 17.556 1.00 0.00 H new ATOM 0 HG SER A 68 8.449 0.092 18.319 1.00 0.00 H new ATOM 1004 N PRO A 69 8.950 4.604 18.431 1.00 0.00 N ATOM 1005 CA PRO A 69 9.527 5.942 18.672 1.00 0.00 C ATOM 1006 C PRO A 69 10.879 6.039 17.953 1.00 0.00 C ATOM 1007 O PRO A 69 11.517 5.034 17.700 1.00 0.00 O ATOM 1008 CB PRO A 69 9.631 6.040 20.178 1.00 0.00 C ATOM 1009 CG PRO A 69 8.555 5.023 20.631 1.00 0.00 C ATOM 1010 CD PRO A 69 8.793 3.836 19.688 1.00 0.00 C ATOM 0 HA PRO A 69 8.932 6.769 18.285 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.625 5.773 20.538 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.421 7.047 20.539 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.680 4.741 21.676 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.548 5.426 20.528 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.680 3.257 19.947 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.955 3.140 19.660 1.00 0.00 H new ATOM 1018 N PRO A 70 11.288 7.240 17.641 1.00 0.00 N ATOM 1019 CA PRO A 70 12.625 7.523 17.055 1.00 0.00 C ATOM 1020 C PRO A 70 13.643 7.366 18.190 1.00 0.00 C ATOM 1021 O PRO A 70 13.267 7.199 19.335 1.00 0.00 O ATOM 1022 CB PRO A 70 12.491 8.944 16.542 1.00 0.00 C ATOM 1023 CG PRO A 70 11.585 9.576 17.644 1.00 0.00 C ATOM 1024 CD PRO A 70 10.508 8.497 17.809 1.00 0.00 C ATOM 0 HA PRO A 70 12.953 6.869 16.247 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.455 9.446 16.463 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.029 8.984 15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.131 9.756 18.570 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.164 10.531 17.331 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.027 8.549 18.786 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.721 8.590 17.060 1.00 0.00 H new ATOM 1032 N GLU A 71 14.896 7.428 17.837 1.00 0.00 N ATOM 1033 CA GLU A 71 15.956 7.295 18.876 1.00 0.00 C ATOM 1034 C GLU A 71 16.460 8.722 19.043 1.00 0.00 C ATOM 1035 O GLU A 71 16.236 9.578 18.206 1.00 0.00 O ATOM 1036 CB GLU A 71 17.068 6.373 18.373 1.00 0.00 C ATOM 1037 CG GLU A 71 18.193 6.224 19.429 1.00 0.00 C ATOM 1038 CD GLU A 71 19.165 5.118 18.993 1.00 0.00 C ATOM 1039 OE1 GLU A 71 19.808 5.321 17.976 1.00 0.00 O ATOM 1040 OE2 GLU A 71 19.208 4.125 19.701 1.00 0.00 O ATOM 0 H GLU A 71 15.231 7.564 16.883 1.00 0.00 H new ATOM 0 HA GLU A 71 15.602 6.862 19.812 1.00 0.00 H new ATOM 0 HB2 GLU A 71 16.653 5.393 18.139 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.484 6.772 17.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.727 7.168 19.542 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.763 5.982 20.401 1.00 0.00 H new ATOM 1047 N ILE A 72 17.132 8.919 20.134 1.00 0.00 N ATOM 1048 CA ILE A 72 17.683 10.268 20.454 1.00 0.00 C ATOM 1049 C ILE A 72 19.191 10.302 20.725 1.00 0.00 C ATOM 1050 O ILE A 72 19.865 9.290 20.739 1.00 0.00 O ATOM 1051 CB ILE A 72 16.837 10.817 21.659 1.00 0.00 C ATOM 1052 CG1 ILE A 72 16.685 9.741 22.756 1.00 0.00 C ATOM 1053 CG2 ILE A 72 15.450 11.260 21.099 1.00 0.00 C ATOM 1054 CD1 ILE A 72 15.786 10.262 23.879 1.00 0.00 C ATOM 0 H ILE A 72 17.328 8.199 20.829 1.00 0.00 H new ATOM 0 HA ILE A 72 17.591 10.909 19.577 1.00 0.00 H new ATOM 0 HB ILE A 72 17.338 11.667 22.122 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.259 8.833 22.330 1.00 0.00 H new ATOM 0 HG13 ILE A 72 17.664 9.477 23.156 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.836 11.647 21.912 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.592 12.038 20.349 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.951 10.404 20.644 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.684 9.497 24.648 1.00 0.00 H new ATOM 0 HD12 ILE A 72 16.230 11.157 24.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.803 10.504 23.475 1.00 0.00 H new ATOM 1066 N SER A 73 19.645 11.510 20.932 1.00 0.00 N ATOM 1067 CA SER A 73 21.077 11.840 21.210 1.00 0.00 C ATOM 1068 C SER A 73 21.475 11.821 22.687 1.00 0.00 C ATOM 1069 O SER A 73 22.580 11.431 23.011 1.00 0.00 O ATOM 1070 CB SER A 73 21.385 13.255 20.664 1.00 0.00 C ATOM 1071 OG SER A 73 20.423 14.083 21.308 1.00 0.00 O ATOM 0 H SER A 73 19.041 12.332 20.918 1.00 0.00 H new ATOM 0 HA SER A 73 21.651 11.055 20.718 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.403 13.563 20.903 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.286 13.296 19.579 1.00 0.00 H new ATOM 0 HG SER A 73 20.545 15.012 21.020 1.00 0.00 H new ATOM 1077 N HIS A 74 20.563 12.235 23.527 1.00 0.00 N ATOM 1078 CA HIS A 74 20.841 12.288 25.000 1.00 0.00 C ATOM 1079 C HIS A 74 19.989 11.383 25.904 1.00 0.00 C ATOM 1080 O HIS A 74 20.264 11.285 27.082 1.00 0.00 O ATOM 1081 CB HIS A 74 20.659 13.722 25.431 1.00 0.00 C ATOM 1082 CG HIS A 74 21.292 14.724 24.465 1.00 0.00 C ATOM 1083 ND1 HIS A 74 20.752 15.858 24.183 1.00 0.00 N ATOM 1084 CD2 HIS A 74 22.456 14.705 23.718 1.00 0.00 C ATOM 1085 CE1 HIS A 74 21.492 16.497 23.340 1.00 0.00 C ATOM 1086 NE2 HIS A 74 22.566 15.818 23.023 1.00 0.00 N ATOM 0 H HIS A 74 19.629 12.542 23.257 1.00 0.00 H new ATOM 0 HA HIS A 74 21.853 11.904 25.127 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.594 13.936 25.520 1.00 0.00 H new ATOM 0 HB3 HIS A 74 21.095 13.856 26.421 1.00 0.00 H new ATOM 0 HD2 HIS A 74 23.171 13.895 23.706 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.254 17.473 22.944 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.315 16.089 22.385 1.00 0.00 H new ATOM 1094 N GLY A 75 18.977 10.767 25.358 1.00 0.00 N ATOM 1095 CA GLY A 75 18.092 9.866 26.169 1.00 0.00 C ATOM 1096 C GLY A 75 17.892 8.517 25.466 1.00 0.00 C ATOM 1097 O GLY A 75 18.693 8.135 24.635 1.00 0.00 O ATOM 0 H GLY A 75 18.718 10.847 24.375 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.533 9.706 27.153 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.126 10.345 26.327 1.00 0.00 H new ATOM 1101 N VAL A 76 16.834 7.834 25.841 1.00 0.00 N ATOM 1102 CA VAL A 76 16.516 6.495 25.223 1.00 0.00 C ATOM 1103 C VAL A 76 15.149 5.956 25.700 1.00 0.00 C ATOM 1104 O VAL A 76 14.920 5.989 26.891 1.00 0.00 O ATOM 1105 CB VAL A 76 17.643 5.479 25.605 1.00 0.00 C ATOM 1106 CG1 VAL A 76 17.772 5.348 27.150 1.00 0.00 C ATOM 1107 CG2 VAL A 76 17.332 4.100 24.983 1.00 0.00 C ATOM 0 H VAL A 76 16.171 8.144 26.552 1.00 0.00 H new ATOM 0 HA VAL A 76 16.464 6.619 24.141 1.00 0.00 H new ATOM 0 HB VAL A 76 18.591 5.849 25.214 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.562 4.636 27.390 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.017 6.320 27.578 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.828 4.996 27.565 1.00 0.00 H new ATOM 0 HG21 VAL A 76 18.119 3.394 25.251 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.376 3.738 25.361 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.282 4.193 23.898 1.00 0.00 H new ATOM 1117 N VAL A 77 14.286 5.482 24.818 1.00 0.00 N ATOM 1118 CA VAL A 77 12.974 4.958 25.321 1.00 0.00 C ATOM 1119 C VAL A 77 13.134 3.451 25.338 1.00 0.00 C ATOM 1120 O VAL A 77 13.414 2.809 24.346 1.00 0.00 O ATOM 1121 CB VAL A 77 11.736 5.377 24.393 1.00 0.00 C ATOM 1122 CG1 VAL A 77 11.762 4.916 22.943 1.00 0.00 C ATOM 1123 CG2 VAL A 77 10.418 4.840 24.964 1.00 0.00 C ATOM 0 H VAL A 77 14.429 5.437 23.809 1.00 0.00 H new ATOM 0 HA VAL A 77 12.748 5.375 26.302 1.00 0.00 H new ATOM 0 HB VAL A 77 11.819 6.464 24.395 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.866 5.269 22.433 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.645 5.321 22.448 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.794 3.827 22.908 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.593 5.137 24.317 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.462 3.752 25.019 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.261 5.248 25.962 1.00 0.00 H new ATOM 1133 N ALA A 78 12.939 2.979 26.536 1.00 0.00 N ATOM 1134 CA ALA A 78 13.028 1.537 26.876 1.00 0.00 C ATOM 1135 C ALA A 78 11.605 1.020 27.059 1.00 0.00 C ATOM 1136 O ALA A 78 11.368 -0.172 27.055 1.00 0.00 O ATOM 1137 CB ALA A 78 13.818 1.408 28.164 1.00 0.00 C ATOM 0 H ALA A 78 12.709 3.571 27.334 1.00 0.00 H new ATOM 0 HA ALA A 78 13.525 0.960 26.096 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.899 0.356 28.438 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.816 1.824 28.022 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.308 1.952 28.959 1.00 0.00 H new ATOM 1143 N HIS A 79 10.709 1.960 27.215 1.00 0.00 N ATOM 1144 CA HIS A 79 9.273 1.630 27.401 1.00 0.00 C ATOM 1145 C HIS A 79 8.487 2.104 26.196 1.00 0.00 C ATOM 1146 O HIS A 79 7.608 2.941 26.270 1.00 0.00 O ATOM 1147 CB HIS A 79 8.808 2.301 28.702 1.00 0.00 C ATOM 1148 CG HIS A 79 9.596 1.616 29.817 1.00 0.00 C ATOM 1149 ND1 HIS A 79 9.616 0.338 30.004 1.00 0.00 N ATOM 1150 CD2 HIS A 79 10.414 2.122 30.810 1.00 0.00 C ATOM 1151 CE1 HIS A 79 10.372 0.056 31.015 1.00 0.00 C ATOM 1152 NE2 HIS A 79 10.890 1.136 31.548 1.00 0.00 N ATOM 0 H HIS A 79 10.920 2.958 27.221 1.00 0.00 H new ATOM 0 HA HIS A 79 9.112 0.555 27.483 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.005 3.373 28.683 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.735 2.177 28.846 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.632 3.169 30.960 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.554 -0.946 31.376 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.517 1.200 32.350 1.00 0.00 H new ATOM 1160 N MET A 80 8.884 1.519 25.097 1.00 0.00 N ATOM 1161 CA MET A 80 8.250 1.814 23.792 1.00 0.00 C ATOM 1162 C MET A 80 7.577 0.518 23.362 1.00 0.00 C ATOM 1163 O MET A 80 8.000 -0.569 23.705 1.00 0.00 O ATOM 1164 CB MET A 80 9.307 2.245 22.753 1.00 0.00 C ATOM 1165 CG MET A 80 10.571 1.403 22.814 1.00 0.00 C ATOM 1166 SD MET A 80 11.807 1.694 21.520 1.00 0.00 S ATOM 1167 CE MET A 80 13.125 0.604 22.113 1.00 0.00 C ATOM 0 H MET A 80 9.639 0.834 25.055 1.00 0.00 H new ATOM 0 HA MET A 80 7.537 2.634 23.871 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.877 2.175 21.754 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.565 3.291 22.916 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.045 1.571 23.781 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.282 0.353 22.778 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.093 1.016 21.829 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.069 0.523 23.199 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.007 -0.384 21.669 1.00 0.00 H new ATOM 1177 N SER A 81 6.543 0.699 22.600 1.00 0.00 N ATOM 1178 CA SER A 81 5.737 -0.434 22.077 1.00 0.00 C ATOM 1179 C SER A 81 6.187 -0.821 20.674 1.00 0.00 C ATOM 1180 O SER A 81 7.204 -0.354 20.199 1.00 0.00 O ATOM 1181 CB SER A 81 4.268 -0.005 22.061 1.00 0.00 C ATOM 1182 OG SER A 81 4.011 0.437 23.386 1.00 0.00 O ATOM 0 H SER A 81 6.211 1.618 22.307 1.00 0.00 H new ATOM 0 HA SER A 81 5.872 -1.306 22.717 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.095 0.791 21.337 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.616 -0.834 21.786 1.00 0.00 H new ATOM 0 HG SER A 81 4.215 1.393 23.457 1.00 0.00 H new ATOM 1188 N ASP A 82 5.397 -1.668 20.069 1.00 0.00 N ATOM 1189 CA ASP A 82 5.666 -2.170 18.691 1.00 0.00 C ATOM 1190 C ASP A 82 4.630 -1.586 17.742 1.00 0.00 C ATOM 1191 O ASP A 82 4.947 -1.227 16.626 1.00 0.00 O ATOM 1192 CB ASP A 82 5.587 -3.715 18.704 1.00 0.00 C ATOM 1193 CG ASP A 82 5.565 -4.262 17.268 1.00 0.00 C ATOM 1194 OD1 ASP A 82 4.481 -4.283 16.707 1.00 0.00 O ATOM 1195 OD2 ASP A 82 6.637 -4.624 16.815 1.00 0.00 O ATOM 0 H ASP A 82 4.547 -2.045 20.489 1.00 0.00 H new ATOM 0 HA ASP A 82 6.658 -1.868 18.355 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.441 -4.125 19.243 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.691 -4.035 19.236 1.00 0.00 H new ATOM 1200 N SER A 83 3.417 -1.515 18.230 1.00 0.00 N ATOM 1201 CA SER A 83 2.304 -0.971 17.407 1.00 0.00 C ATOM 1202 C SER A 83 1.781 0.390 17.858 1.00 0.00 C ATOM 1203 O SER A 83 0.742 0.495 18.481 1.00 0.00 O ATOM 1204 CB SER A 83 1.160 -2.028 17.414 1.00 0.00 C ATOM 1205 OG SER A 83 0.890 -2.269 18.787 1.00 0.00 O ATOM 0 H SER A 83 3.153 -1.813 19.169 1.00 0.00 H new ATOM 0 HA SER A 83 2.691 -0.792 16.404 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.275 -1.655 16.897 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.465 -2.943 16.905 1.00 0.00 H new ATOM 0 HG SER A 83 0.621 -1.432 19.219 1.00 0.00 H new ATOM 1211 N TYR A 84 2.543 1.400 17.518 1.00 0.00 N ATOM 1212 CA TYR A 84 2.143 2.784 17.885 1.00 0.00 C ATOM 1213 C TYR A 84 1.459 3.396 16.668 1.00 0.00 C ATOM 1214 O TYR A 84 2.064 3.591 15.632 1.00 0.00 O ATOM 1215 CB TYR A 84 3.380 3.634 18.257 1.00 0.00 C ATOM 1216 CG TYR A 84 3.810 3.448 19.722 1.00 0.00 C ATOM 1217 CD1 TYR A 84 2.876 3.377 20.737 1.00 0.00 C ATOM 1218 CD2 TYR A 84 5.145 3.365 20.049 1.00 0.00 C ATOM 1219 CE1 TYR A 84 3.256 3.225 22.044 1.00 0.00 C ATOM 1220 CE2 TYR A 84 5.530 3.214 21.358 1.00 0.00 C ATOM 1221 CZ TYR A 84 4.588 3.140 22.372 1.00 0.00 C ATOM 1222 OH TYR A 84 4.977 2.974 23.689 1.00 0.00 O ATOM 0 H TYR A 84 3.421 1.322 17.004 1.00 0.00 H new ATOM 0 HA TYR A 84 1.478 2.762 18.748 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.210 3.366 17.603 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.160 4.686 18.078 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.825 3.443 20.495 1.00 0.00 H new ATOM 0 HD2 TYR A 84 5.893 3.419 19.272 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.506 3.172 22.820 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.581 3.152 21.601 1.00 0.00 H new ATOM 0 HH TYR A 84 4.222 3.174 24.281 1.00 0.00 H new ATOM 1232 N GLN A 85 0.200 3.675 16.865 1.00 0.00 N ATOM 1233 CA GLN A 85 -0.639 4.282 15.800 1.00 0.00 C ATOM 1234 C GLN A 85 -0.852 5.722 16.234 1.00 0.00 C ATOM 1235 O GLN A 85 -1.302 5.980 17.330 1.00 0.00 O ATOM 1236 CB GLN A 85 -2.016 3.570 15.706 1.00 0.00 C ATOM 1237 CG GLN A 85 -2.185 2.903 14.335 1.00 0.00 C ATOM 1238 CD GLN A 85 -1.230 1.707 14.188 1.00 0.00 C ATOM 1239 OE1 GLN A 85 -0.024 1.821 14.290 1.00 0.00 O ATOM 1240 NE2 GLN A 85 -1.747 0.536 13.941 1.00 0.00 N ATOM 0 H GLN A 85 -0.291 3.502 17.742 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.160 4.198 14.824 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.099 2.821 16.494 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.817 4.292 15.867 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.215 2.569 14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.990 3.629 13.546 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.758 0.433 13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.140 -0.277 13.835 1.00 0.00 H new ATOM 1249 N TYR A 86 -0.505 6.595 15.334 1.00 0.00 N ATOM 1250 CA TYR A 86 -0.610 8.077 15.488 1.00 0.00 C ATOM 1251 C TYR A 86 -1.342 8.716 16.684 1.00 0.00 C ATOM 1252 O TYR A 86 -2.343 8.230 17.173 1.00 0.00 O ATOM 1253 CB TYR A 86 -1.240 8.565 14.245 1.00 0.00 C ATOM 1254 CG TYR A 86 -2.695 8.166 14.148 1.00 0.00 C ATOM 1255 CD1 TYR A 86 -3.044 6.873 13.858 1.00 0.00 C ATOM 1256 CD2 TYR A 86 -3.664 9.110 14.361 1.00 0.00 C ATOM 1257 CE1 TYR A 86 -4.358 6.525 13.784 1.00 0.00 C ATOM 1258 CE2 TYR A 86 -4.978 8.772 14.290 1.00 0.00 C ATOM 1259 CZ TYR A 86 -5.349 7.471 14.002 1.00 0.00 C ATOM 1260 OH TYR A 86 -6.684 7.124 13.937 1.00 0.00 O ATOM 0 H TYR A 86 -0.124 6.319 14.429 1.00 0.00 H new ATOM 0 HA TYR A 86 0.416 8.382 15.696 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.159 9.651 14.201 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.698 8.170 13.386 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.278 6.131 13.688 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.382 10.128 14.586 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.631 5.506 13.554 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.736 9.522 14.459 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.236 7.913 14.118 1.00 0.00 H new ATOM 1270 N GLY A 87 -0.795 9.827 17.085 1.00 0.00 N ATOM 1271 CA GLY A 87 -1.368 10.592 18.231 1.00 0.00 C ATOM 1272 C GLY A 87 -1.203 9.864 19.569 1.00 0.00 C ATOM 1273 O GLY A 87 -2.086 9.924 20.403 1.00 0.00 O ATOM 0 H GLY A 87 0.035 10.245 16.664 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.884 11.567 18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.427 10.773 18.049 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.089 9.197 19.727 1.00 0.00 N ATOM 1278 CA GLU A 88 0.201 8.440 20.993 1.00 0.00 C ATOM 1279 C GLU A 88 1.555 8.921 21.547 1.00 0.00 C ATOM 1280 O GLU A 88 2.321 9.510 20.807 1.00 0.00 O ATOM 1281 CB GLU A 88 0.222 6.917 20.660 1.00 0.00 C ATOM 1282 CG GLU A 88 -1.239 6.445 20.321 1.00 0.00 C ATOM 1283 CD GLU A 88 -1.336 4.960 19.882 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -0.314 4.301 19.795 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -2.460 4.551 19.646 1.00 0.00 O ATOM 0 H GLU A 88 0.647 9.141 19.023 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.562 8.615 21.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.884 6.726 19.816 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.613 6.352 21.506 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.871 6.597 21.196 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.638 7.075 19.526 1.00 0.00 H new ATOM 1292 N GLU A 89 1.814 8.660 22.807 1.00 0.00 N ATOM 1293 CA GLU A 89 3.108 9.101 23.422 1.00 0.00 C ATOM 1294 C GLU A 89 3.910 7.995 24.122 1.00 0.00 C ATOM 1295 O GLU A 89 3.388 6.982 24.549 1.00 0.00 O ATOM 1296 CB GLU A 89 2.800 10.248 24.431 1.00 0.00 C ATOM 1297 CG GLU A 89 1.957 9.774 25.667 1.00 0.00 C ATOM 1298 CD GLU A 89 2.798 8.961 26.679 1.00 0.00 C ATOM 1299 OE1 GLU A 89 3.828 9.477 27.090 1.00 0.00 O ATOM 1300 OE2 GLU A 89 2.362 7.865 26.993 1.00 0.00 O ATOM 0 H GLU A 89 1.185 8.161 23.436 1.00 0.00 H new ATOM 0 HA GLU A 89 3.745 9.431 22.602 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.739 10.676 24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.261 11.042 23.915 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.532 10.644 26.168 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.122 9.165 25.321 1.00 0.00 H new ATOM 1307 N VAL A 90 5.187 8.277 24.200 1.00 0.00 N ATOM 1308 CA VAL A 90 6.187 7.368 24.851 1.00 0.00 C ATOM 1309 C VAL A 90 7.060 8.198 25.753 1.00 0.00 C ATOM 1310 O VAL A 90 7.121 9.400 25.600 1.00 0.00 O ATOM 1311 CB VAL A 90 7.071 6.703 23.827 1.00 0.00 C ATOM 1312 CG1 VAL A 90 6.176 5.768 23.083 1.00 0.00 C ATOM 1313 CG2 VAL A 90 7.667 7.711 22.875 1.00 0.00 C ATOM 0 H VAL A 90 5.594 9.134 23.825 1.00 0.00 H new ATOM 0 HA VAL A 90 5.649 6.598 25.404 1.00 0.00 H new ATOM 0 HB VAL A 90 7.908 6.192 24.303 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.751 5.246 22.318 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.751 5.042 23.776 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.372 6.332 22.611 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.299 7.198 22.150 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.867 8.235 22.352 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.266 8.429 23.434 1.00 0.00 H new ATOM 1323 N THR A 91 7.708 7.515 26.655 1.00 0.00 N ATOM 1324 CA THR A 91 8.609 8.195 27.623 1.00 0.00 C ATOM 1325 C THR A 91 9.994 7.539 27.617 1.00 0.00 C ATOM 1326 O THR A 91 10.134 6.352 27.848 1.00 0.00 O ATOM 1327 CB THR A 91 8.029 8.121 29.073 1.00 0.00 C ATOM 1328 OG1 THR A 91 6.766 7.457 29.017 1.00 0.00 O ATOM 1329 CG2 THR A 91 7.763 9.523 29.629 1.00 0.00 C ATOM 0 H THR A 91 7.650 6.502 26.763 1.00 0.00 H new ATOM 0 HA THR A 91 8.691 9.238 27.318 1.00 0.00 H new ATOM 0 HB THR A 91 8.748 7.600 29.705 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.387 7.399 29.919 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.360 9.444 30.639 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.695 10.087 29.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.044 10.037 28.991 1.00 0.00 H new ATOM 1337 N TYR A 92 10.979 8.359 27.370 1.00 0.00 N ATOM 1338 CA TYR A 92 12.383 7.872 27.330 1.00 0.00 C ATOM 1339 C TYR A 92 12.975 8.245 28.686 1.00 0.00 C ATOM 1340 O TYR A 92 12.306 8.803 29.534 1.00 0.00 O ATOM 1341 CB TYR A 92 13.234 8.581 26.204 1.00 0.00 C ATOM 1342 CG TYR A 92 12.670 8.542 24.757 1.00 0.00 C ATOM 1343 CD1 TYR A 92 11.374 8.920 24.470 1.00 0.00 C ATOM 1344 CD2 TYR A 92 13.467 8.139 23.688 1.00 0.00 C ATOM 1345 CE1 TYR A 92 10.887 8.900 23.169 1.00 0.00 C ATOM 1346 CE2 TYR A 92 12.972 8.120 22.391 1.00 0.00 C ATOM 1347 CZ TYR A 92 11.682 8.500 22.118 1.00 0.00 C ATOM 1348 OH TYR A 92 11.243 8.464 20.809 1.00 0.00 O ATOM 0 H TYR A 92 10.867 9.357 27.192 1.00 0.00 H new ATOM 0 HA TYR A 92 12.402 6.803 27.118 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.366 9.625 26.487 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.225 8.127 26.193 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.725 9.238 25.273 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.487 7.836 23.871 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.868 9.203 22.979 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.613 7.801 21.583 1.00 0.00 H new ATOM 0 HH TYR A 92 11.920 8.029 20.249 1.00 0.00 H new ATOM 1358 N LYS A 93 14.223 7.911 28.840 1.00 0.00 N ATOM 1359 CA LYS A 93 14.954 8.207 30.103 1.00 0.00 C ATOM 1360 C LYS A 93 16.100 9.164 29.734 1.00 0.00 C ATOM 1361 O LYS A 93 16.291 9.468 28.570 1.00 0.00 O ATOM 1362 CB LYS A 93 15.496 6.878 30.680 1.00 0.00 C ATOM 1363 CG LYS A 93 14.514 5.702 30.366 1.00 0.00 C ATOM 1364 CD LYS A 93 14.880 4.426 31.151 1.00 0.00 C ATOM 1365 CE LYS A 93 14.465 4.561 32.624 1.00 0.00 C ATOM 1366 NZ LYS A 93 12.983 4.709 32.734 1.00 0.00 N ATOM 0 H LYS A 93 14.780 7.435 28.130 1.00 0.00 H new ATOM 0 HA LYS A 93 14.316 8.667 30.858 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.477 6.664 30.255 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.629 6.970 31.758 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.496 6.002 30.614 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.532 5.489 29.297 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.385 3.563 30.705 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.953 4.247 31.085 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.792 3.684 33.183 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.958 5.425 33.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.672 4.398 33.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.722 5.706 32.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.521 4.126 32.007 1.00 0.00 H new ATOM 1380 N CYS A 94 16.821 9.599 30.739 1.00 0.00 N ATOM 1381 CA CYS A 94 17.968 10.534 30.540 1.00 0.00 C ATOM 1382 C CYS A 94 19.291 9.769 30.663 1.00 0.00 C ATOM 1383 O CYS A 94 19.299 8.599 30.997 1.00 0.00 O ATOM 1384 CB CYS A 94 17.888 11.637 31.613 1.00 0.00 C ATOM 1385 SG CYS A 94 16.489 12.787 31.597 1.00 0.00 S ATOM 0 H CYS A 94 16.657 9.337 31.711 1.00 0.00 H new ATOM 0 HA CYS A 94 17.921 10.981 29.547 1.00 0.00 H new ATOM 0 HB2 CYS A 94 17.899 11.148 32.587 1.00 0.00 H new ATOM 0 HB3 CYS A 94 18.800 12.229 31.543 1.00 0.00 H new ATOM 1390 N PHE A 95 20.371 10.458 30.393 1.00 0.00 N ATOM 1391 CA PHE A 95 21.723 9.819 30.477 1.00 0.00 C ATOM 1392 C PHE A 95 22.452 10.486 31.646 1.00 0.00 C ATOM 1393 O PHE A 95 21.855 11.239 32.393 1.00 0.00 O ATOM 1394 CB PHE A 95 22.476 10.066 29.150 1.00 0.00 C ATOM 1395 CG PHE A 95 22.650 8.732 28.403 1.00 0.00 C ATOM 1396 CD1 PHE A 95 23.522 7.766 28.865 1.00 0.00 C ATOM 1397 CD2 PHE A 95 21.918 8.478 27.254 1.00 0.00 C ATOM 1398 CE1 PHE A 95 23.659 6.569 28.191 1.00 0.00 C ATOM 1399 CE2 PHE A 95 22.053 7.287 26.581 1.00 0.00 C ATOM 1400 CZ PHE A 95 22.924 6.330 27.049 1.00 0.00 C ATOM 0 H PHE A 95 20.376 11.440 30.117 1.00 0.00 H new ATOM 0 HA PHE A 95 21.659 8.743 30.636 1.00 0.00 H new ATOM 0 HB2 PHE A 95 21.922 10.772 28.531 1.00 0.00 H new ATOM 0 HB3 PHE A 95 23.450 10.513 29.350 1.00 0.00 H new ATOM 0 HD1 PHE A 95 24.100 7.948 29.759 1.00 0.00 H new ATOM 0 HD2 PHE A 95 21.233 9.225 26.883 1.00 0.00 H new ATOM 0 HE1 PHE A 95 24.343 5.818 28.559 1.00 0.00 H new ATOM 0 HE2 PHE A 95 21.476 7.103 25.687 1.00 0.00 H new ATOM 0 HZ PHE A 95 23.032 5.393 26.523 1.00 0.00 H new ATOM 1410 N GLU A 96 23.723 10.197 31.767 1.00 0.00 N ATOM 1411 CA GLU A 96 24.519 10.797 32.885 1.00 0.00 C ATOM 1412 C GLU A 96 25.403 11.935 32.374 1.00 0.00 C ATOM 1413 O GLU A 96 26.112 11.801 31.396 1.00 0.00 O ATOM 1414 CB GLU A 96 25.405 9.699 33.539 1.00 0.00 C ATOM 1415 CG GLU A 96 25.062 9.631 35.048 1.00 0.00 C ATOM 1416 CD GLU A 96 25.377 10.992 35.711 1.00 0.00 C ATOM 1417 OE1 GLU A 96 26.556 11.275 35.856 1.00 0.00 O ATOM 1418 OE2 GLU A 96 24.415 11.676 36.030 1.00 0.00 O ATOM 0 H GLU A 96 24.242 9.577 31.146 1.00 0.00 H new ATOM 0 HA GLU A 96 23.828 11.203 33.624 1.00 0.00 H new ATOM 0 HB2 GLU A 96 25.225 8.734 33.065 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.461 9.931 33.400 1.00 0.00 H new ATOM 0 HG2 GLU A 96 24.009 9.385 35.182 1.00 0.00 H new ATOM 0 HG3 GLU A 96 25.638 8.839 35.527 1.00 0.00 H new ATOM 1425 N GLY A 97 25.310 13.031 33.081 1.00 0.00 N ATOM 1426 CA GLY A 97 26.096 14.252 32.732 1.00 0.00 C ATOM 1427 C GLY A 97 25.197 15.218 31.940 1.00 0.00 C ATOM 1428 O GLY A 97 25.662 16.229 31.448 1.00 0.00 O ATOM 0 H GLY A 97 24.711 13.133 33.901 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.462 14.736 33.638 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.970 13.981 32.140 1.00 0.00 H new ATOM 1432 N PHE A 98 23.934 14.870 31.852 1.00 0.00 N ATOM 1433 CA PHE A 98 22.930 15.699 31.116 1.00 0.00 C ATOM 1434 C PHE A 98 22.008 16.380 32.134 1.00 0.00 C ATOM 1435 O PHE A 98 21.979 15.997 33.287 1.00 0.00 O ATOM 1436 CB PHE A 98 22.111 14.770 30.173 1.00 0.00 C ATOM 1437 CG PHE A 98 23.038 14.221 29.073 1.00 0.00 C ATOM 1438 CD1 PHE A 98 23.912 13.186 29.346 1.00 0.00 C ATOM 1439 CD2 PHE A 98 23.022 14.764 27.800 1.00 0.00 C ATOM 1440 CE1 PHE A 98 24.753 12.704 28.369 1.00 0.00 C ATOM 1441 CE2 PHE A 98 23.864 14.282 26.823 1.00 0.00 C ATOM 1442 CZ PHE A 98 24.732 13.251 27.105 1.00 0.00 C ATOM 0 H PHE A 98 23.550 14.023 32.271 1.00 0.00 H new ATOM 0 HA PHE A 98 23.425 16.465 30.519 1.00 0.00 H new ATOM 0 HB2 PHE A 98 21.675 13.948 30.741 1.00 0.00 H new ATOM 0 HB3 PHE A 98 21.284 15.323 29.726 1.00 0.00 H new ATOM 0 HD1 PHE A 98 23.935 12.752 30.335 1.00 0.00 H new ATOM 0 HD2 PHE A 98 22.343 15.572 27.571 1.00 0.00 H new ATOM 0 HE1 PHE A 98 25.431 11.894 28.594 1.00 0.00 H new ATOM 0 HE2 PHE A 98 23.844 14.714 25.833 1.00 0.00 H new ATOM 0 HZ PHE A 98 25.393 12.873 26.339 1.00 0.00 H new ATOM 1452 N GLY A 99 21.281 17.362 31.667 1.00 0.00 N ATOM 1453 CA GLY A 99 20.330 18.136 32.516 1.00 0.00 C ATOM 1454 C GLY A 99 18.956 17.850 31.934 1.00 0.00 C ATOM 1455 O GLY A 99 18.856 17.197 30.912 1.00 0.00 O ATOM 0 H GLY A 99 21.310 17.669 30.695 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.389 17.824 33.559 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.555 19.202 32.489 1.00 0.00 H new ATOM 1459 N ILE A 100 17.942 18.351 32.584 1.00 0.00 N ATOM 1460 CA ILE A 100 16.561 18.096 32.066 1.00 0.00 C ATOM 1461 C ILE A 100 15.844 19.397 31.654 1.00 0.00 C ATOM 1462 O ILE A 100 16.075 20.464 32.189 1.00 0.00 O ATOM 1463 CB ILE A 100 15.781 17.320 33.190 1.00 0.00 C ATOM 1464 CG1 ILE A 100 16.741 16.172 33.702 1.00 0.00 C ATOM 1465 CG2 ILE A 100 14.495 16.660 32.628 1.00 0.00 C ATOM 1466 CD1 ILE A 100 16.092 15.222 34.723 1.00 0.00 C ATOM 0 H ILE A 100 18.002 18.914 33.433 1.00 0.00 H new ATOM 0 HA ILE A 100 16.605 17.498 31.156 1.00 0.00 H new ATOM 0 HB ILE A 100 15.493 18.012 33.982 1.00 0.00 H new ATOM 0 HG12 ILE A 100 17.083 15.590 32.846 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.624 16.625 34.153 1.00 0.00 H new ATOM 0 HG21 ILE A 100 13.978 16.131 33.429 1.00 0.00 H new ATOM 0 HG22 ILE A 100 13.840 17.429 32.219 1.00 0.00 H new ATOM 0 HG23 ILE A 100 14.762 15.955 31.841 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.814 14.464 35.025 1.00 0.00 H new ATOM 0 HD12 ILE A 100 15.775 15.790 35.598 1.00 0.00 H new ATOM 0 HD13 ILE A 100 15.226 14.739 34.271 1.00 0.00 H new ATOM 1478 N ASP A 101 14.980 19.206 30.693 1.00 0.00 N ATOM 1479 CA ASP A 101 14.132 20.270 30.068 1.00 0.00 C ATOM 1480 C ASP A 101 12.666 19.979 30.453 1.00 0.00 C ATOM 1481 O ASP A 101 12.427 19.674 31.605 1.00 0.00 O ATOM 1482 CB ASP A 101 14.475 20.201 28.518 1.00 0.00 C ATOM 1483 CG ASP A 101 13.590 21.086 27.623 1.00 0.00 C ATOM 1484 OD1 ASP A 101 13.585 22.283 27.859 1.00 0.00 O ATOM 1485 OD2 ASP A 101 12.969 20.505 26.747 1.00 0.00 O ATOM 0 H ASP A 101 14.817 18.285 30.287 1.00 0.00 H new ATOM 0 HA ASP A 101 14.314 21.291 30.402 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.516 20.492 28.377 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.385 19.167 28.186 1.00 0.00 H new ATOM 1490 N GLY A 102 11.731 20.064 29.543 1.00 0.00 N ATOM 1491 CA GLY A 102 10.301 19.790 29.903 1.00 0.00 C ATOM 1492 C GLY A 102 9.901 18.317 29.700 1.00 0.00 C ATOM 1493 O GLY A 102 10.084 17.552 30.627 1.00 0.00 O ATOM 0 H GLY A 102 11.892 20.311 28.566 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.135 20.066 30.944 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.652 20.424 29.298 1.00 0.00 H new ATOM 1497 N PRO A 103 9.382 17.914 28.557 1.00 0.00 N ATOM 1498 CA PRO A 103 8.831 16.545 28.390 1.00 0.00 C ATOM 1499 C PRO A 103 9.886 15.508 28.009 1.00 0.00 C ATOM 1500 O PRO A 103 10.668 15.727 27.105 1.00 0.00 O ATOM 1501 CB PRO A 103 7.765 16.673 27.303 1.00 0.00 C ATOM 1502 CG PRO A 103 7.805 18.182 26.881 1.00 0.00 C ATOM 1503 CD PRO A 103 9.207 18.684 27.299 1.00 0.00 C ATOM 0 HA PRO A 103 8.426 16.181 29.334 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.981 16.020 26.458 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.781 16.393 27.679 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.650 18.295 25.808 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.019 18.751 27.378 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.972 18.453 26.558 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.234 19.762 27.461 1.00 0.00 H new ATOM 1511 N ALA A 104 9.855 14.404 28.710 1.00 0.00 N ATOM 1512 CA ALA A 104 10.831 13.309 28.429 1.00 0.00 C ATOM 1513 C ALA A 104 10.100 12.309 27.510 1.00 0.00 C ATOM 1514 O ALA A 104 10.296 11.116 27.590 1.00 0.00 O ATOM 1515 CB ALA A 104 11.233 12.663 29.774 1.00 0.00 C ATOM 0 H ALA A 104 9.196 14.213 29.465 1.00 0.00 H new ATOM 0 HA ALA A 104 11.742 13.659 27.943 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.947 11.859 29.593 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.690 13.415 30.417 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.347 12.258 30.262 1.00 0.00 H new ATOM 1521 N ILE A 105 9.275 12.857 26.645 1.00 0.00 N ATOM 1522 CA ILE A 105 8.470 12.061 25.671 1.00 0.00 C ATOM 1523 C ILE A 105 8.789 12.459 24.238 1.00 0.00 C ATOM 1524 O ILE A 105 9.574 13.343 23.973 1.00 0.00 O ATOM 1525 CB ILE A 105 6.924 12.318 25.855 1.00 0.00 C ATOM 1526 CG1 ILE A 105 6.417 13.646 25.158 1.00 0.00 C ATOM 1527 CG2 ILE A 105 6.614 12.481 27.324 1.00 0.00 C ATOM 1528 CD1 ILE A 105 4.904 13.549 24.887 1.00 0.00 C ATOM 0 H ILE A 105 9.125 13.864 26.576 1.00 0.00 H new ATOM 0 HA ILE A 105 8.722 11.017 25.860 1.00 0.00 H new ATOM 0 HB ILE A 105 6.427 11.461 25.400 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.627 14.505 25.795 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.954 13.804 24.223 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.546 12.659 27.453 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.898 11.575 27.859 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.173 13.328 27.722 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.561 14.466 24.407 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.705 12.700 24.232 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.374 13.412 25.829 1.00 0.00 H new ATOM 1540 N ALA A 106 8.125 11.718 23.400 1.00 0.00 N ATOM 1541 CA ALA A 106 8.182 11.881 21.921 1.00 0.00 C ATOM 1542 C ALA A 106 6.687 11.680 21.618 1.00 0.00 C ATOM 1543 O ALA A 106 6.114 10.768 22.191 1.00 0.00 O ATOM 1544 CB ALA A 106 9.010 10.778 21.234 1.00 0.00 C ATOM 0 H ALA A 106 7.509 10.962 23.699 1.00 0.00 H new ATOM 0 HA ALA A 106 8.641 12.809 21.581 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.018 10.946 20.157 1.00 0.00 H new ATOM 0 HB2 ALA A 106 10.032 10.801 21.612 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.567 9.805 21.446 1.00 0.00 H new ATOM 1550 N LYS A 107 6.081 12.489 20.777 1.00 0.00 N ATOM 1551 CA LYS A 107 4.612 12.279 20.477 1.00 0.00 C ATOM 1552 C LYS A 107 4.409 12.000 18.968 1.00 0.00 C ATOM 1553 O LYS A 107 4.802 12.803 18.150 1.00 0.00 O ATOM 1554 CB LYS A 107 3.864 13.545 20.914 1.00 0.00 C ATOM 1555 CG LYS A 107 2.415 13.163 21.229 1.00 0.00 C ATOM 1556 CD LYS A 107 1.584 14.434 21.500 1.00 0.00 C ATOM 1557 CE LYS A 107 0.326 14.054 22.295 1.00 0.00 C ATOM 1558 NZ LYS A 107 -0.464 13.012 21.574 1.00 0.00 N ATOM 0 H LYS A 107 6.522 13.270 20.292 1.00 0.00 H new ATOM 0 HA LYS A 107 4.225 11.416 21.019 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.340 13.984 21.791 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.896 14.296 20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.986 12.609 20.394 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.384 12.505 22.098 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.177 15.158 22.058 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.305 14.908 20.559 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.611 13.684 23.280 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.290 14.939 22.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.423 12.964 21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.522 13.257 20.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.002 12.088 21.680 1.00 0.00 H new ATOM 1572 N CYS A 108 3.781 10.895 18.628 1.00 0.00 N ATOM 1573 CA CYS A 108 3.587 10.593 17.167 1.00 0.00 C ATOM 1574 C CYS A 108 2.463 11.377 16.522 1.00 0.00 C ATOM 1575 O CYS A 108 1.452 11.676 17.127 1.00 0.00 O ATOM 1576 CB CYS A 108 3.333 9.090 16.970 1.00 0.00 C ATOM 1577 SG CYS A 108 4.286 8.471 15.562 1.00 0.00 S ATOM 0 H CYS A 108 3.403 10.205 19.278 1.00 0.00 H new ATOM 0 HA CYS A 108 4.509 10.900 16.673 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.610 8.546 17.873 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.270 8.912 16.805 1.00 0.00 H new ATOM 1582 N LEU A 109 2.734 11.671 15.272 1.00 0.00 N ATOM 1583 CA LEU A 109 1.793 12.446 14.420 1.00 0.00 C ATOM 1584 C LEU A 109 1.583 11.719 13.072 1.00 0.00 C ATOM 1585 O LEU A 109 2.116 12.121 12.058 1.00 0.00 O ATOM 1586 CB LEU A 109 2.393 13.874 14.198 1.00 0.00 C ATOM 1587 CG LEU A 109 3.249 14.376 15.412 1.00 0.00 C ATOM 1588 CD1 LEU A 109 4.742 14.141 15.086 1.00 0.00 C ATOM 1589 CD2 LEU A 109 2.975 15.860 15.646 1.00 0.00 C ATOM 0 H LEU A 109 3.595 11.395 14.800 1.00 0.00 H new ATOM 0 HA LEU A 109 0.822 12.533 14.907 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.014 13.866 13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.581 14.579 14.017 1.00 0.00 H new ATOM 0 HG LEU A 109 2.987 13.831 16.319 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.355 14.484 15.920 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.916 13.078 14.922 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.010 14.695 14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.569 16.211 16.490 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.243 16.425 14.753 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.917 16.005 15.862 1.00 0.00 H new ATOM 1601 N GLY A 110 0.819 10.657 13.118 1.00 0.00 N ATOM 1602 CA GLY A 110 0.494 9.822 11.901 1.00 0.00 C ATOM 1603 C GLY A 110 1.681 9.045 11.250 1.00 0.00 C ATOM 1604 O GLY A 110 1.466 7.930 10.815 1.00 0.00 O ATOM 0 H GLY A 110 0.388 10.316 13.977 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.275 9.100 12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.059 10.476 11.145 1.00 0.00 H new ATOM 1608 N GLU A 111 2.878 9.611 11.196 1.00 0.00 N ATOM 1609 CA GLU A 111 4.059 8.901 10.572 1.00 0.00 C ATOM 1610 C GLU A 111 5.255 8.804 11.557 1.00 0.00 C ATOM 1611 O GLU A 111 5.566 7.728 12.033 1.00 0.00 O ATOM 1612 CB GLU A 111 4.479 9.678 9.281 1.00 0.00 C ATOM 1613 CG GLU A 111 5.850 9.200 8.730 1.00 0.00 C ATOM 1614 CD GLU A 111 6.118 9.908 7.386 1.00 0.00 C ATOM 1615 OE1 GLU A 111 5.664 9.380 6.387 1.00 0.00 O ATOM 1616 OE2 GLU A 111 6.762 10.941 7.440 1.00 0.00 O ATOM 0 H GLU A 111 3.087 10.540 11.560 1.00 0.00 H new ATOM 0 HA GLU A 111 3.768 7.881 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.715 9.546 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.529 10.744 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.643 9.428 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.846 8.119 8.593 1.00 0.00 H new ATOM 1623 N LYS A 112 5.870 9.934 11.835 1.00 0.00 N ATOM 1624 CA LYS A 112 7.047 9.981 12.773 1.00 0.00 C ATOM 1625 C LYS A 112 6.591 10.583 14.118 1.00 0.00 C ATOM 1626 O LYS A 112 5.405 10.647 14.372 1.00 0.00 O ATOM 1627 CB LYS A 112 8.162 10.867 12.184 1.00 0.00 C ATOM 1628 CG LYS A 112 9.541 10.398 12.756 1.00 0.00 C ATOM 1629 CD LYS A 112 10.589 11.532 12.710 1.00 0.00 C ATOM 1630 CE LYS A 112 10.253 12.633 13.739 1.00 0.00 C ATOM 1631 NZ LYS A 112 11.322 13.669 13.718 1.00 0.00 N ATOM 0 H LYS A 112 5.603 10.839 11.447 1.00 0.00 H new ATOM 0 HA LYS A 112 7.430 8.971 12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.163 10.798 11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.985 11.912 12.437 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.414 10.061 13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.902 9.544 12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.579 11.126 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.622 11.962 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.289 13.084 13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.169 12.201 14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.099 14.412 14.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.234 13.232 13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.381 14.087 12.768 1.00 0.00 H new ATOM 1645 N TRP A 113 7.527 11.016 14.932 1.00 0.00 N ATOM 1646 CA TRP A 113 7.177 11.600 16.258 1.00 0.00 C ATOM 1647 C TRP A 113 7.528 13.088 16.427 1.00 0.00 C ATOM 1648 O TRP A 113 8.122 13.711 15.569 1.00 0.00 O ATOM 1649 CB TRP A 113 7.869 10.707 17.293 1.00 0.00 C ATOM 1650 CG TRP A 113 7.287 9.259 17.283 1.00 0.00 C ATOM 1651 CD1 TRP A 113 7.402 8.325 16.291 1.00 0.00 C ATOM 1652 CD2 TRP A 113 6.620 8.688 18.305 1.00 0.00 C ATOM 1653 NE1 TRP A 113 6.808 7.266 16.796 1.00 0.00 N ATOM 1654 CE2 TRP A 113 6.304 7.384 18.006 1.00 0.00 C ATOM 1655 CE3 TRP A 113 6.243 9.223 19.506 1.00 0.00 C ATOM 1656 CZ2 TRP A 113 5.622 6.614 18.918 1.00 0.00 C ATOM 1657 CZ3 TRP A 113 5.557 8.455 20.413 1.00 0.00 C ATOM 1658 CH2 TRP A 113 5.250 7.154 20.123 1.00 0.00 C ATOM 0 H TRP A 113 8.526 10.987 14.728 1.00 0.00 H new ATOM 0 HA TRP A 113 6.094 11.609 16.381 1.00 0.00 H new ATOM 0 HB2 TRP A 113 8.939 10.671 17.086 1.00 0.00 H new ATOM 0 HB3 TRP A 113 7.750 11.141 18.286 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.869 8.432 15.323 1.00 0.00 H new ATOM 0 HE1 TRP A 113 6.741 6.393 16.273 1.00 0.00 H new ATOM 0 HE3 TRP A 113 6.485 10.249 19.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.380 5.587 18.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.258 8.880 21.360 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.715 6.552 20.842 1.00 0.00 H new ATOM 1669 N SER A 114 7.133 13.595 17.570 1.00 0.00 N ATOM 1670 CA SER A 114 7.339 15.027 17.960 1.00 0.00 C ATOM 1671 C SER A 114 8.223 15.173 19.194 1.00 0.00 C ATOM 1672 O SER A 114 8.674 14.181 19.732 1.00 0.00 O ATOM 1673 CB SER A 114 5.976 15.636 18.264 1.00 0.00 C ATOM 1674 OG SER A 114 6.158 17.045 18.249 1.00 0.00 O ATOM 0 H SER A 114 6.652 13.046 18.283 1.00 0.00 H new ATOM 0 HA SER A 114 7.838 15.535 17.135 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.239 15.331 17.521 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.608 15.302 19.234 1.00 0.00 H new ATOM 0 HG SER A 114 5.304 17.487 18.439 1.00 0.00 H new ATOM 1680 N HIS A 115 8.401 16.424 19.568 1.00 0.00 N ATOM 1681 CA HIS A 115 9.209 16.865 20.743 1.00 0.00 C ATOM 1682 C HIS A 115 9.845 15.729 21.548 1.00 0.00 C ATOM 1683 O HIS A 115 9.335 15.396 22.600 1.00 0.00 O ATOM 1684 CB HIS A 115 8.290 17.705 21.655 1.00 0.00 C ATOM 1685 CG HIS A 115 8.241 19.161 21.211 1.00 0.00 C ATOM 1686 ND1 HIS A 115 8.348 19.585 19.996 1.00 0.00 N ATOM 1687 CD2 HIS A 115 8.079 20.307 21.967 1.00 0.00 C ATOM 1688 CE1 HIS A 115 8.262 20.879 19.984 1.00 0.00 C ATOM 1689 NE2 HIS A 115 8.093 21.371 21.186 1.00 0.00 N ATOM 0 H HIS A 115 7.984 17.205 19.062 1.00 0.00 H new ATOM 0 HA HIS A 115 10.051 17.441 20.358 1.00 0.00 H new ATOM 0 HB2 HIS A 115 7.284 17.286 21.644 1.00 0.00 H new ATOM 0 HB3 HIS A 115 8.647 17.649 22.683 1.00 0.00 H new ATOM 0 HD2 HIS A 115 7.959 20.329 23.040 1.00 0.00 H new ATOM 0 HE1 HIS A 115 8.323 21.480 19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.995 22.350 21.456 1.00 0.00 H new ATOM 1697 N PRO A 116 10.920 15.159 21.055 1.00 0.00 N ATOM 1698 CA PRO A 116 11.580 14.024 21.740 1.00 0.00 C ATOM 1699 C PRO A 116 12.173 14.523 23.076 1.00 0.00 C ATOM 1700 O PRO A 116 12.333 15.717 23.240 1.00 0.00 O ATOM 1701 CB PRO A 116 12.614 13.545 20.728 1.00 0.00 C ATOM 1702 CG PRO A 116 12.995 14.846 19.976 1.00 0.00 C ATOM 1703 CD PRO A 116 11.633 15.542 19.799 1.00 0.00 C ATOM 0 HA PRO A 116 10.924 13.199 22.018 1.00 0.00 H new ATOM 0 HB2 PRO A 116 13.478 13.094 21.216 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.201 12.795 20.053 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.691 15.457 20.550 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.471 14.636 19.018 1.00 0.00 H new ATOM 0 HD2 PRO A 116 11.737 16.623 19.703 1.00 0.00 H new ATOM 0 HD3 PRO A 116 11.109 15.192 18.910 1.00 0.00 H new ATOM 1711 N PRO A 117 12.465 13.610 23.971 1.00 0.00 N ATOM 1712 CA PRO A 117 12.912 13.890 25.368 1.00 0.00 C ATOM 1713 C PRO A 117 13.619 15.206 25.760 1.00 0.00 C ATOM 1714 O PRO A 117 14.202 15.923 24.970 1.00 0.00 O ATOM 1715 CB PRO A 117 13.749 12.676 25.701 1.00 0.00 C ATOM 1716 CG PRO A 117 12.881 11.579 25.088 1.00 0.00 C ATOM 1717 CD PRO A 117 12.404 12.138 23.732 1.00 0.00 C ATOM 0 HA PRO A 117 12.009 14.066 25.953 1.00 0.00 H new ATOM 0 HB2 PRO A 117 14.742 12.720 25.255 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.887 12.547 26.774 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.449 10.658 24.955 1.00 0.00 H new ATOM 0 HG3 PRO A 117 12.035 11.341 25.734 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.052 11.830 22.912 1.00 0.00 H new ATOM 0 HD3 PRO A 117 11.396 11.805 23.484 1.00 0.00 H new ATOM 1725 N SER A 118 13.517 15.431 27.041 1.00 0.00 N ATOM 1726 CA SER A 118 14.081 16.619 27.737 1.00 0.00 C ATOM 1727 C SER A 118 15.250 16.254 28.651 1.00 0.00 C ATOM 1728 O SER A 118 15.176 16.459 29.840 1.00 0.00 O ATOM 1729 CB SER A 118 12.909 17.229 28.509 1.00 0.00 C ATOM 1730 OG SER A 118 12.152 17.882 27.504 1.00 0.00 O ATOM 0 H SER A 118 13.032 14.793 27.671 1.00 0.00 H new ATOM 0 HA SER A 118 14.505 17.331 27.029 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.323 16.464 29.019 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.252 17.929 29.271 1.00 0.00 H new ATOM 0 HG SER A 118 11.635 17.219 27.001 1.00 0.00 H new ATOM 1736 N CYS A 119 16.291 15.726 28.074 1.00 0.00 N ATOM 1737 CA CYS A 119 17.511 15.324 28.844 1.00 0.00 C ATOM 1738 C CYS A 119 18.689 15.850 27.989 1.00 0.00 C ATOM 1739 O CYS A 119 19.337 15.068 27.333 1.00 0.00 O ATOM 1740 CB CYS A 119 17.530 13.786 28.964 1.00 0.00 C ATOM 1741 SG CYS A 119 16.066 12.960 29.633 1.00 0.00 S ATOM 0 H CYS A 119 16.353 15.549 27.071 1.00 0.00 H new ATOM 0 HA CYS A 119 17.553 15.722 29.858 1.00 0.00 H new ATOM 0 HB2 CYS A 119 17.718 13.377 27.971 1.00 0.00 H new ATOM 0 HB3 CYS A 119 18.381 13.512 29.588 1.00 0.00 H new ATOM 1746 N ILE A 120 18.962 17.133 28.022 1.00 0.00 N ATOM 1747 CA ILE A 120 20.086 17.706 27.187 1.00 0.00 C ATOM 1748 C ILE A 120 21.324 18.221 27.960 1.00 0.00 C ATOM 1749 O ILE A 120 21.850 19.280 27.648 1.00 0.00 O ATOM 1750 CB ILE A 120 19.442 18.851 26.306 1.00 0.00 C ATOM 1751 CG1 ILE A 120 19.006 20.146 27.107 1.00 0.00 C ATOM 1752 CG2 ILE A 120 18.231 18.297 25.523 1.00 0.00 C ATOM 1753 CD1 ILE A 120 18.131 19.870 28.351 1.00 0.00 C ATOM 1754 OXT ILE A 120 21.696 17.483 28.847 1.00 0.00 O ATOM 0 H ILE A 120 18.459 17.815 28.589 1.00 0.00 H new ATOM 0 HA ILE A 120 20.506 16.893 26.594 1.00 0.00 H new ATOM 0 HB ILE A 120 20.234 19.173 25.630 1.00 0.00 H new ATOM 0 HG12 ILE A 120 19.902 20.682 27.421 1.00 0.00 H new ATOM 0 HG13 ILE A 120 18.459 20.806 26.434 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.794 19.092 24.919 1.00 0.00 H new ATOM 0 HG22 ILE A 120 18.558 17.486 24.873 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.485 17.922 26.224 1.00 0.00 H new ATOM 0 HD11 ILE A 120 17.881 20.813 28.836 1.00 0.00 H new ATOM 0 HD12 ILE A 120 17.215 19.364 28.046 1.00 0.00 H new ATOM 0 HD13 ILE A 120 18.680 19.238 29.049 1.00 0.00 H new TER 1766 ILE A 120 CONECT 78 733 CONECT 533 901 CONECT 733 78 CONECT 901 533 CONECT 966 1577 CONECT 1385 1741 CONECT 1577 966 CONECT 1741 1385 END