USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 120 hydrogens (0 hets) HEADER GROWTH FACTOR 23-JAN-91 2GF1 TITLE SOLUTION STRUCTURE OF HUMAN INSULIN-LIKE GROWTH FACTOR 1: A TITLE 2 NUCLEAR MAGNETIC RESONANCE AND RESTRAINED MOLECULAR TITLE 3 DYNAMICS STUDY COMPND MOL_ID: 1; COMPND 2 MOLECULE: INSULIN-LIKE GROWTH FACTOR I; 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 GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR R.M.COOKE,T.S.HARVEY,I.D.CAMPBELL REVDAT 2 24-FEB-09 2GF1 1 VERSN REVDAT 1 15-APR-93 2GF1 0 JRNL AUTH R.M.COOKE,T.S.HARVEY,I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE OF HUMAN INSULIN-LIKE GROWTH JRNL TITL 2 FACTOR 1: A NUCLEAR MAGNETIC RESONANCE AND JRNL TITL 3 RESTRAINED MOLECULAR DYNAMICS STUDY. JRNL REF BIOCHEMISTRY V. 30 5484 1991 JRNL REFN ISSN 0006-2960 JRNL PMID 2036417 JRNL DOI 10.1021/BI00236A022 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMOS REMARK 3 AUTHORS : VAN GUNSTEREN,BERENDSEN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2GF1 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 PHE A 16 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES REMARK 500 TYR A 24 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 TYR A 60 CB - CG - CD1 ANGL. DEV. = -5.1 DEGREES REMARK 500 CYS A 61 N - CA - CB ANGL. DEV. = 14.4 DEGREES REMARK 500 CYS A 61 N - CA - C ANGL. DEV. = -18.8 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 VAL A 17 -74.04 -102.83 REMARK 500 TYR A 24 107.69 -173.85 REMARK 500 LYS A 27 -114.71 -78.47 REMARK 500 PRO A 28 63.30 -100.76 REMARK 500 ARG A 37 32.42 -97.71 REMARK 500 THR A 41 -40.08 92.76 REMARK 500 ILE A 43 -60.74 -16.66 REMARK 500 GLU A 46 -74.63 -69.35 REMARK 500 ARG A 50 -94.55 -147.96 REMARK 500 ASP A 53 -176.23 168.03 REMARK 500 ARG A 56 37.37 -81.15 REMARK 500 CYS A 61 -83.41 -90.99 REMARK 500 PRO A 63 26.47 -79.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LYS A 27 PRO A 28 141.27 REMARK 500 SER A 51 CYS A 52 143.51 REMARK 500 CYS A 61 ALA A 62 127.78 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 PHE A 16 0.09 SIDE_CHAIN REMARK 500 TYR A 24 0.12 SIDE_CHAIN REMARK 500 PHE A 25 0.07 SIDE_CHAIN REMARK 500 TYR A 31 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ARG A 36 -12.39 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3GF1 RELATED DB: PDB DBREF 2GF1 A 1 70 UNP P01343 IGF1A_HUMAN 49 118 SEQRES 1 A 70 GLY PRO GLU THR LEU CYS GLY ALA GLU LEU VAL ASP ALA SEQRES 2 A 70 LEU GLN PHE VAL CYS GLY ASP ARG GLY PHE TYR PHE ASN SEQRES 3 A 70 LYS PRO THR GLY TYR GLY SER SER SER ARG ARG ALA PRO SEQRES 4 A 70 GLN THR GLY ILE VAL ASP GLU CYS CYS PHE ARG SER CYS SEQRES 5 A 70 ASP LEU ARG ARG LEU GLU MET TYR CYS ALA PRO LEU LYS SEQRES 6 A 70 PRO ALA LYS SER ALA HELIX 1 1H ALA A 8 VAL A 17 1 10 HELIX 2 2H VAL A 44 PHE A 49 1 6 HELIX 3 3H LEU A 54 MET A 59 1 6 SSBOND *** CYS A 6 CYS A 48 1555 1555 2.04 SSBOND *** CYS A 18 CYS A 61 1555 1555 2.05 SSBOND *** CYS A 47 CYS A 52 1555 1555 2.04 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 1 GLY N :NH3+ 155:sc= -1.16 (180deg=-3.19!) USER MOD Set 1.2: A 51 SER OG : rot 100:sc= 0.353 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 152:sc= 0.353 (180deg=-0.11) USER MOD Set 2.2: A 29 THR OG1 : rot 106:sc= 0.783 USER MOD Set 2.3: A 31 TYR OH : rot 30:sc= -1.36 USER MOD Single : A 4 THR OG1 : rot 48:sc= 0.0757 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=0.62) USER MOD Single : A 24 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 26 ASN : amide:sc= 0.219 K(o=0.22,f=-5.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 34 SER OG : rot 89:sc= 0.985 USER MOD Single : A 35 SER OG : rot 51:sc= 0.369 USER MOD Single : A 40 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.7!) USER MOD Single : A 41 THR OG1 : rot -42:sc= 1.57 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -164:sc= 1.16 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 0.0605 (180deg=-0.693) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -1.85 (180deg=-2.93!) USER MOD Single : A 69 SER OG : rot -72:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.610 17.700 -11.590 1.00 0.00 N ATOM 2 CA GLY A 1 12.010 16.910 -12.760 1.00 0.00 C ATOM 3 C GLY A 1 11.810 15.400 -12.560 1.00 0.00 C ATOM 4 O GLY A 1 11.060 14.980 -11.680 1.00 0.00 O ATOM 0 H1 GLY A 1 12.128 18.602 -11.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.588 17.888 -11.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.831 17.171 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.434 17.236 -13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.059 17.106 -12.983 1.00 0.00 H new ATOM 8 N PRO A 2 12.550 14.610 -13.330 1.00 0.00 N ATOM 9 CA PRO A 2 12.140 13.230 -13.670 1.00 0.00 C ATOM 10 C PRO A 2 12.260 12.240 -12.510 1.00 0.00 C ATOM 11 O PRO A 2 13.350 11.800 -12.130 1.00 0.00 O ATOM 12 CB PRO A 2 13.020 12.920 -14.880 1.00 0.00 C ATOM 13 CG PRO A 2 14.330 13.640 -14.580 1.00 0.00 C ATOM 14 CD PRO A 2 13.860 14.930 -13.920 1.00 0.00 C ATOM 0 HA PRO A 2 11.077 13.135 -13.894 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.172 11.847 -14.998 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.569 13.281 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.970 13.057 -13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.902 13.834 -15.487 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.565 15.261 -13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.777 15.737 -14.648 1.00 0.00 H new ATOM 15 N GLU A 3 11.120 12.040 -11.870 1.00 0.00 N ATOM 16 CA GLU A 3 10.880 11.090 -10.770 1.00 0.00 C ATOM 17 C GLU A 3 9.390 10.730 -10.700 1.00 0.00 C ATOM 18 O GLU A 3 8.540 11.470 -10.200 1.00 0.00 O ATOM 19 CB GLU A 3 11.430 11.590 -9.430 1.00 0.00 C ATOM 20 CG GLU A 3 11.270 13.090 -9.160 1.00 0.00 C ATOM 21 CD GLU A 3 12.640 13.750 -8.980 1.00 0.00 C ATOM 22 OE1 GLU A 3 13.210 14.190 -10.000 1.00 0.00 O ATOM 23 OE2 GLU A 3 13.090 13.800 -7.820 1.00 0.00 O ATOM 0 H GLU A 3 10.279 12.564 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 3 11.436 10.178 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.935 11.041 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.490 11.342 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.739 13.560 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.666 13.242 -8.266 1.00 0.00 H new ATOM 25 N THR A 4 9.140 9.600 -11.350 1.00 0.00 N ATOM 26 CA THR A 4 7.810 9.130 -11.760 1.00 0.00 C ATOM 27 C THR A 4 7.200 8.090 -10.800 1.00 0.00 C ATOM 28 O THR A 4 7.710 6.990 -10.620 1.00 0.00 O ATOM 29 CB THR A 4 7.890 8.540 -13.170 1.00 0.00 C ATOM 30 OG1 THR A 4 9.010 7.660 -13.260 1.00 0.00 O ATOM 31 CG2 THR A 4 7.990 9.650 -14.220 1.00 0.00 C ATOM 0 H THR A 4 9.884 8.956 -11.620 1.00 0.00 H new ATOM 0 HA THR A 4 7.151 9.998 -11.737 1.00 0.00 H new ATOM 0 HB THR A 4 6.978 7.976 -13.367 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.012 7.053 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.046 9.206 -15.214 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.110 10.291 -14.157 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.885 10.244 -14.037 1.00 0.00 H new ATOM 34 N LEU A 5 6.130 8.530 -10.160 1.00 0.00 N ATOM 35 CA LEU A 5 5.310 7.730 -9.230 1.00 0.00 C ATOM 36 C LEU A 5 3.830 7.800 -9.610 1.00 0.00 C ATOM 37 O LEU A 5 3.220 8.870 -9.600 1.00 0.00 O ATOM 38 CB LEU A 5 5.510 8.190 -7.790 1.00 0.00 C ATOM 39 CG LEU A 5 6.930 7.970 -7.270 1.00 0.00 C ATOM 40 CD1 LEU A 5 7.110 8.710 -5.940 1.00 0.00 C ATOM 41 CD2 LEU A 5 7.270 6.490 -7.110 1.00 0.00 C ATOM 0 H LEU A 5 5.786 9.484 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 5 5.637 6.693 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.266 9.250 -7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.810 7.658 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 5 7.621 8.372 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.123 8.552 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.941 9.776 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.394 8.329 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.290 6.389 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.579 6.032 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.185 5.991 -8.075 1.00 0.00 H new ATOM 43 N CYS A 6 3.250 6.630 -9.880 1.00 0.00 N ATOM 44 CA CYS A 6 1.890 6.500 -10.420 1.00 0.00 C ATOM 45 C CYS A 6 0.910 5.800 -9.480 1.00 0.00 C ATOM 46 O CYS A 6 1.260 4.890 -8.730 1.00 0.00 O ATOM 47 CB CYS A 6 1.960 5.760 -11.750 1.00 0.00 C ATOM 48 SG CYS A 6 2.930 6.630 -13.040 1.00 0.00 S ATOM 0 H CYS A 6 3.714 5.734 -9.729 1.00 0.00 H new ATOM 0 HA CYS A 6 1.500 7.510 -10.550 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.398 4.776 -11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.947 5.600 -12.118 1.00 0.00 H new ATOM 50 N GLY A 7 -0.320 6.310 -9.480 1.00 0.00 N ATOM 51 CA GLY A 7 -1.470 5.740 -8.760 1.00 0.00 C ATOM 52 C GLY A 7 -1.260 5.730 -7.240 1.00 0.00 C ATOM 53 O GLY A 7 -1.020 6.760 -6.620 1.00 0.00 O ATOM 0 H GLY A 7 -0.557 7.158 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.365 6.315 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.644 4.722 -9.107 1.00 0.00 H new ATOM 55 N ALA A 8 -1.290 4.530 -6.660 1.00 0.00 N ATOM 56 CA ALA A 8 -0.860 4.280 -5.280 1.00 0.00 C ATOM 57 C ALA A 8 0.470 4.930 -4.890 1.00 0.00 C ATOM 58 O ALA A 8 0.530 5.660 -3.900 1.00 0.00 O ATOM 59 CB ALA A 8 -0.800 2.770 -5.030 1.00 0.00 C ATOM 0 H ALA A 8 -1.618 3.692 -7.140 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.607 4.755 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.481 2.583 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.787 2.336 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.089 2.315 -5.720 1.00 0.00 H new ATOM 61 N GLU A 9 1.470 4.850 -5.770 1.00 0.00 N ATOM 62 CA GLU A 9 2.760 5.510 -5.590 1.00 0.00 C ATOM 63 C GLU A 9 2.690 7.040 -5.520 1.00 0.00 C ATOM 64 O GLU A 9 3.360 7.660 -4.680 1.00 0.00 O ATOM 65 CB GLU A 9 3.680 5.130 -6.760 1.00 0.00 C ATOM 66 CG GLU A 9 3.980 3.640 -6.930 1.00 0.00 C ATOM 67 CD GLU A 9 4.810 3.420 -8.200 1.00 0.00 C ATOM 68 OE1 GLU A 9 4.440 4.000 -9.250 1.00 0.00 O ATOM 69 OE2 GLU A 9 5.800 2.670 -8.100 1.00 0.00 O ATOM 0 H GLU A 9 1.404 4.318 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 9 3.139 5.167 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.229 5.496 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.626 5.658 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.522 3.267 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.049 3.077 -6.991 1.00 0.00 H new ATOM 71 N LEU A 10 1.730 7.590 -6.250 1.00 0.00 N ATOM 72 CA LEU A 10 1.510 9.050 -6.300 1.00 0.00 C ATOM 73 C LEU A 10 0.860 9.570 -5.020 1.00 0.00 C ATOM 74 O LEU A 10 1.320 10.570 -4.470 1.00 0.00 O ATOM 75 CB LEU A 10 0.830 9.420 -7.620 1.00 0.00 C ATOM 76 CG LEU A 10 -0.640 9.850 -7.610 1.00 0.00 C ATOM 77 CD1 LEU A 10 -0.770 11.340 -7.270 1.00 0.00 C ATOM 78 CD2 LEU A 10 -1.240 9.660 -9.000 1.00 0.00 C ATOM 0 H LEU A 10 1.080 7.052 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 10 2.460 9.585 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.405 10.229 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.916 8.561 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.156 9.244 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.823 11.622 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.343 11.527 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.237 11.931 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.286 9.967 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.691 10.267 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.173 8.610 -9.285 1.00 0.00 H new ATOM 80 N VAL A 11 -0.030 8.770 -4.440 1.00 0.00 N ATOM 81 CA VAL A 11 -0.580 8.980 -3.100 1.00 0.00 C ATOM 82 C VAL A 11 0.520 8.910 -2.040 1.00 0.00 C ATOM 83 O VAL A 11 0.700 9.850 -1.270 1.00 0.00 O ATOM 84 CB VAL A 11 -1.710 7.980 -2.820 1.00 0.00 C ATOM 85 CG1 VAL A 11 -2.350 8.180 -1.440 1.00 0.00 C ATOM 86 CG2 VAL A 11 -2.820 8.060 -3.860 1.00 0.00 C ATOM 0 H VAL A 11 -0.399 7.937 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.007 9.982 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.230 7.002 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.142 7.446 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.593 8.053 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.770 9.184 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.597 7.334 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.248 9.063 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.411 7.841 -4.846 1.00 0.00 H new ATOM 88 N ASP A 12 1.340 7.870 -2.110 1.00 0.00 N ATOM 89 CA ASP A 12 2.520 7.690 -1.250 1.00 0.00 C ATOM 90 C ASP A 12 3.480 8.890 -1.270 1.00 0.00 C ATOM 91 O ASP A 12 3.920 9.360 -0.230 1.00 0.00 O ATOM 92 CB ASP A 12 3.290 6.420 -1.610 1.00 0.00 C ATOM 93 CG ASP A 12 2.470 5.130 -1.500 1.00 0.00 C ATOM 94 OD1 ASP A 12 1.650 5.030 -0.560 1.00 0.00 O ATOM 95 OD2 ASP A 12 2.660 4.280 -2.390 1.00 0.00 O ATOM 0 H ASP A 12 1.208 7.109 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 12 2.124 7.602 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.663 6.513 -2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.160 6.340 -0.958 1.00 0.00 H new ATOM 97 N ALA A 13 3.730 9.410 -2.480 1.00 0.00 N ATOM 98 CA ALA A 13 4.480 10.650 -2.710 1.00 0.00 C ATOM 99 C ALA A 13 3.900 11.850 -1.960 1.00 0.00 C ATOM 100 O ALA A 13 4.570 12.430 -1.100 1.00 0.00 O ATOM 101 CB ALA A 13 4.570 10.910 -4.220 1.00 0.00 C ATOM 0 H ALA A 13 3.409 8.970 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 13 5.483 10.519 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.126 11.830 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.082 10.077 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.566 11.007 -4.633 1.00 0.00 H new ATOM 103 N LEU A 14 2.640 12.160 -2.240 1.00 0.00 N ATOM 104 CA LEU A 14 1.820 13.130 -1.490 1.00 0.00 C ATOM 105 C LEU A 14 1.950 13.020 0.030 1.00 0.00 C ATOM 106 O LEU A 14 2.390 13.980 0.670 1.00 0.00 O ATOM 107 CB LEU A 14 0.360 12.990 -1.920 1.00 0.00 C ATOM 108 CG LEU A 14 0.130 13.500 -3.340 1.00 0.00 C ATOM 109 CD1 LEU A 14 -1.130 12.880 -3.940 1.00 0.00 C ATOM 110 CD2 LEU A 14 0.020 15.030 -3.370 1.00 0.00 C ATOM 0 H LEU A 14 2.136 11.735 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 14 2.200 14.122 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.063 11.943 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.276 13.543 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 14 0.992 13.203 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.275 13.257 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.024 11.796 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.992 13.144 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.144 15.363 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.817 15.347 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.942 15.469 -2.989 1.00 0.00 H new ATOM 112 N GLN A 15 1.770 11.820 0.570 1.00 0.00 N ATOM 113 CA GLN A 15 1.950 11.500 1.990 1.00 0.00 C ATOM 114 C GLN A 15 3.310 11.920 2.570 1.00 0.00 C ATOM 115 O GLN A 15 3.340 12.730 3.490 1.00 0.00 O ATOM 116 CB GLN A 15 1.710 10.000 2.170 1.00 0.00 C ATOM 117 CG GLN A 15 0.430 9.680 2.950 1.00 0.00 C ATOM 118 CD GLN A 15 -0.860 10.110 2.260 1.00 0.00 C ATOM 119 OE1 GLN A 15 -1.000 10.170 1.040 1.00 0.00 O ATOM 120 NE2 GLN A 15 -1.900 10.370 3.050 1.00 0.00 N ATOM 0 H GLN A 15 1.485 11.012 0.016 1.00 0.00 H new ATOM 0 HA GLN A 15 1.226 12.085 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.657 9.527 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.563 9.562 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.389 8.606 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.484 10.165 3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.795 10.323 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.802 10.616 2.642 1.00 0.00 H new ATOM 124 N PHE A 16 4.400 11.530 1.910 1.00 0.00 N ATOM 125 CA PHE A 16 5.750 11.800 2.420 1.00 0.00 C ATOM 126 C PHE A 16 6.180 13.280 2.440 1.00 0.00 C ATOM 127 O PHE A 16 7.250 13.600 2.950 1.00 0.00 O ATOM 128 CB PHE A 16 6.820 10.890 1.820 1.00 0.00 C ATOM 129 CG PHE A 16 7.140 10.970 0.320 1.00 0.00 C ATOM 130 CD1 PHE A 16 7.570 12.160 -0.250 1.00 0.00 C ATOM 131 CD2 PHE A 16 7.290 9.760 -0.350 1.00 0.00 C ATOM 132 CE1 PHE A 16 8.180 12.140 -1.500 1.00 0.00 C ATOM 133 CE2 PHE A 16 7.910 9.740 -1.600 1.00 0.00 C ATOM 134 CZ PHE A 16 8.350 10.930 -2.160 1.00 0.00 C ATOM 0 H PHE A 16 4.378 11.027 1.023 1.00 0.00 H new ATOM 0 HA PHE A 16 5.663 11.538 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.747 11.079 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.530 9.862 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.432 13.095 0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.930 8.844 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.519 13.059 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.046 8.807 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.833 10.915 -3.126 1.00 0.00 H new ATOM 136 N VAL A 17 5.400 14.150 1.800 1.00 0.00 N ATOM 137 CA VAL A 17 5.490 15.600 2.020 1.00 0.00 C ATOM 138 C VAL A 17 4.340 16.060 2.910 1.00 0.00 C ATOM 139 O VAL A 17 4.490 16.260 4.120 1.00 0.00 O ATOM 140 CB VAL A 17 5.510 16.360 0.690 1.00 0.00 C ATOM 141 CG1 VAL A 17 5.700 17.870 0.870 1.00 0.00 C ATOM 142 CG2 VAL A 17 6.570 15.880 -0.310 1.00 0.00 C ATOM 0 H VAL A 17 4.692 13.877 1.119 1.00 0.00 H new ATOM 0 HA VAL A 17 6.429 15.821 2.528 1.00 0.00 H new ATOM 0 HB VAL A 17 4.524 16.143 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.706 18.355 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.882 18.271 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.647 18.060 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.508 16.476 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.561 15.991 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.395 14.831 -0.551 1.00 0.00 H new ATOM 144 N CYS A 18 3.140 16.110 2.340 1.00 0.00 N ATOM 145 CA CYS A 18 1.990 16.820 2.910 1.00 0.00 C ATOM 146 C CYS A 18 1.100 16.070 3.900 1.00 0.00 C ATOM 147 O CYS A 18 0.210 16.650 4.510 1.00 0.00 O ATOM 148 CB CYS A 18 1.170 17.500 1.810 1.00 0.00 C ATOM 149 SG CYS A 18 0.820 16.570 0.270 1.00 0.00 S ATOM 0 H CYS A 18 2.931 15.651 1.453 1.00 0.00 H new ATOM 0 HA CYS A 18 2.458 17.564 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.214 17.793 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.688 18.418 1.531 1.00 0.00 H new ATOM 151 N GLY A 19 1.570 14.870 4.220 1.00 0.00 N ATOM 152 CA GLY A 19 1.110 14.030 5.340 1.00 0.00 C ATOM 153 C GLY A 19 1.150 14.740 6.690 1.00 0.00 C ATOM 154 O GLY A 19 0.380 14.420 7.590 1.00 0.00 O ATOM 0 H GLY A 19 2.318 14.428 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.090 13.701 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.730 13.135 5.391 1.00 0.00 H new ATOM 156 N ASP A 20 2.150 15.610 6.860 1.00 0.00 N ATOM 157 CA ASP A 20 2.120 16.650 7.900 1.00 0.00 C ATOM 158 C ASP A 20 1.780 18.050 7.390 1.00 0.00 C ATOM 159 O ASP A 20 1.030 18.760 8.050 1.00 0.00 O ATOM 160 CB ASP A 20 3.420 16.650 8.730 1.00 0.00 C ATOM 161 CG ASP A 20 4.660 17.100 7.960 1.00 0.00 C ATOM 162 OD1 ASP A 20 4.940 16.470 6.920 1.00 0.00 O ATOM 163 OD2 ASP A 20 5.270 18.100 8.390 1.00 0.00 O ATOM 0 H ASP A 20 2.995 15.617 6.289 1.00 0.00 H new ATOM 0 HA ASP A 20 1.289 16.379 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.286 17.303 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.591 15.645 9.115 1.00 0.00 H new ATOM 165 N ARG A 21 2.300 18.420 6.230 1.00 0.00 N ATOM 166 CA ARG A 21 2.250 19.790 5.700 1.00 0.00 C ATOM 167 C ARG A 21 0.890 20.290 5.200 1.00 0.00 C ATOM 168 O ARG A 21 0.760 21.460 4.850 1.00 0.00 O ATOM 169 CB ARG A 21 3.330 19.900 4.630 1.00 0.00 C ATOM 170 CG ARG A 21 4.730 19.790 5.240 1.00 0.00 C ATOM 171 CD ARG A 21 5.820 19.490 4.210 1.00 0.00 C ATOM 172 NE ARG A 21 6.210 20.690 3.440 1.00 0.00 N ATOM 173 CZ ARG A 21 7.270 20.770 2.620 1.00 0.00 C ATOM 174 NH1 ARG A 21 8.060 19.730 2.350 1.00 0.00 N ATOM 175 NH2 ARG A 21 7.700 21.970 2.210 1.00 0.00 N ATOM 0 H ARG A 21 2.781 17.768 5.611 1.00 0.00 H new ATOM 0 HA ARG A 21 2.432 20.461 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.191 19.114 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.232 20.852 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.970 20.723 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.728 19.004 5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.696 19.087 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.467 18.720 3.524 1.00 0.00 H new ATOM 0 HE ARG A 21 5.628 21.522 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.870 18.822 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.854 19.843 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.223 22.816 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.505 22.038 1.587 1.00 0.00 H new ATOM 182 N GLY A 22 -0.090 19.390 5.120 1.00 0.00 N ATOM 183 CA GLY A 22 -1.490 19.670 4.750 1.00 0.00 C ATOM 184 C GLY A 22 -1.720 19.410 3.260 1.00 0.00 C ATOM 185 O GLY A 22 -0.830 19.690 2.450 1.00 0.00 O ATOM 0 H GLY A 22 0.070 18.402 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.159 19.044 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.733 20.706 4.985 1.00 0.00 H new ATOM 187 N PHE A 23 -2.900 18.930 2.900 1.00 0.00 N ATOM 188 CA PHE A 23 -3.210 18.520 1.520 1.00 0.00 C ATOM 189 C PHE A 23 -4.170 19.440 0.770 1.00 0.00 C ATOM 190 O PHE A 23 -5.110 20.000 1.340 1.00 0.00 O ATOM 191 CB PHE A 23 -3.830 17.130 1.470 1.00 0.00 C ATOM 192 CG PHE A 23 -2.860 15.970 1.700 1.00 0.00 C ATOM 193 CD1 PHE A 23 -2.560 15.550 2.990 1.00 0.00 C ATOM 194 CD2 PHE A 23 -2.410 15.260 0.580 1.00 0.00 C ATOM 195 CE1 PHE A 23 -1.790 14.400 3.170 1.00 0.00 C ATOM 196 CE2 PHE A 23 -1.640 14.120 0.770 1.00 0.00 C ATOM 197 CZ PHE A 23 -1.330 13.700 2.060 1.00 0.00 C ATOM 0 H PHE A 23 -3.677 18.810 3.550 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.236 18.557 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.619 17.076 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.305 16.997 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.918 16.107 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.658 15.594 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.553 14.056 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.282 13.560 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.723 12.818 2.201 1.00 0.00 H new ATOM 199 N TYR A 24 -3.990 19.410 -0.550 1.00 0.00 N ATOM 200 CA TYR A 24 -4.770 20.130 -1.570 1.00 0.00 C ATOM 201 C TYR A 24 -4.310 19.680 -2.950 1.00 0.00 C ATOM 202 O TYR A 24 -3.220 20.030 -3.410 1.00 0.00 O ATOM 203 CB TYR A 24 -4.570 21.640 -1.410 1.00 0.00 C ATOM 204 CG TYR A 24 -5.410 22.550 -2.320 1.00 0.00 C ATOM 205 CD1 TYR A 24 -4.980 22.790 -3.620 1.00 0.00 C ATOM 206 CD2 TYR A 24 -6.410 23.300 -1.720 1.00 0.00 C ATOM 207 CE1 TYR A 24 -5.550 23.840 -4.330 1.00 0.00 C ATOM 208 CE2 TYR A 24 -6.980 24.360 -2.420 1.00 0.00 C ATOM 209 CZ TYR A 24 -6.520 24.610 -3.710 1.00 0.00 C ATOM 210 OH TYR A 24 -6.970 25.730 -4.350 1.00 0.00 O ATOM 0 H TYR A 24 -3.249 18.847 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.830 19.908 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.785 21.903 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.517 21.864 -1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.217 22.172 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.743 23.064 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.243 24.051 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.754 24.969 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.650 26.171 -3.799 1.00 0.00 H new ATOM 213 N PHE A 25 -5.160 18.900 -3.620 1.00 0.00 N ATOM 214 CA PHE A 25 -4.830 18.300 -4.920 1.00 0.00 C ATOM 215 C PHE A 25 -5.090 19.260 -6.090 1.00 0.00 C ATOM 216 O PHE A 25 -6.120 19.240 -6.750 1.00 0.00 O ATOM 217 CB PHE A 25 -5.560 16.970 -5.120 1.00 0.00 C ATOM 218 CG PHE A 25 -5.060 15.780 -4.300 1.00 0.00 C ATOM 219 CD1 PHE A 25 -5.030 15.830 -2.910 1.00 0.00 C ATOM 220 CD2 PHE A 25 -4.900 14.570 -4.960 1.00 0.00 C ATOM 221 CE1 PHE A 25 -4.850 14.660 -2.180 1.00 0.00 C ATOM 222 CE2 PHE A 25 -4.730 13.400 -4.240 1.00 0.00 C ATOM 223 CZ PHE A 25 -4.710 13.450 -2.850 1.00 0.00 C ATOM 0 H PHE A 25 -6.093 18.665 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.759 18.098 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.614 17.123 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.500 16.705 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.146 16.775 -2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.908 14.541 -6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.819 14.691 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.614 12.457 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.584 12.538 -2.285 1.00 0.00 H new ATOM 225 N ASN A 26 -4.110 20.140 -6.250 1.00 0.00 N ATOM 226 CA ASN A 26 -3.980 21.040 -7.410 1.00 0.00 C ATOM 227 C ASN A 26 -3.590 20.240 -8.660 1.00 0.00 C ATOM 228 O ASN A 26 -2.460 19.810 -8.870 1.00 0.00 O ATOM 229 CB ASN A 26 -2.990 22.160 -7.110 1.00 0.00 C ATOM 230 CG ASN A 26 -2.920 23.220 -8.210 1.00 0.00 C ATOM 231 OD1 ASN A 26 -3.400 23.070 -9.330 1.00 0.00 O ATOM 232 ND2 ASN A 26 -2.190 24.300 -7.940 1.00 0.00 N ATOM 0 H ASN A 26 -3.362 20.258 -5.567 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.943 21.509 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.268 22.639 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.999 21.730 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.030 25.001 -8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.791 24.426 -7.010 1.00 0.00 H new ATOM 236 N LYS A 27 -4.630 20.090 -9.480 1.00 0.00 N ATOM 237 CA LYS A 27 -4.570 19.500 -10.830 1.00 0.00 C ATOM 238 C LYS A 27 -4.010 20.610 -11.720 1.00 0.00 C ATOM 239 O LYS A 27 -2.850 20.960 -11.510 1.00 0.00 O ATOM 240 CB LYS A 27 -5.970 18.960 -11.140 1.00 0.00 C ATOM 241 CG LYS A 27 -6.580 18.080 -10.050 1.00 0.00 C ATOM 242 CD LYS A 27 -8.080 17.930 -10.300 1.00 0.00 C ATOM 243 CE LYS A 27 -8.890 17.800 -9.010 1.00 0.00 C ATOM 244 NZ LYS A 27 -8.850 19.060 -8.240 1.00 0.00 N ATOM 0 H LYS A 27 -5.572 20.384 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.916 18.640 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.636 19.804 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.925 18.386 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.101 17.101 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.406 18.523 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.437 18.793 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.253 17.051 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.923 17.545 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.492 16.985 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.715 19.146 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.021 19.057 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.786 19.865 -8.895 1.00 0.00 H new ATOM 248 N PRO A 28 -4.720 21.170 -12.690 1.00 0.00 N ATOM 249 CA PRO A 28 -4.580 22.620 -12.900 1.00 0.00 C ATOM 250 C PRO A 28 -5.750 23.400 -12.280 1.00 0.00 C ATOM 251 O PRO A 28 -6.480 24.130 -12.950 1.00 0.00 O ATOM 252 CB PRO A 28 -4.460 22.780 -14.410 1.00 0.00 C ATOM 253 CG PRO A 28 -5.330 21.650 -14.950 1.00 0.00 C ATOM 254 CD PRO A 28 -5.050 20.510 -13.970 1.00 0.00 C ATOM 0 HA PRO A 28 -3.707 23.038 -12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.816 23.756 -14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.427 22.687 -14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.385 21.923 -14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.058 21.382 -15.971 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.918 19.859 -13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.225 19.887 -14.316 1.00 0.00 H new ATOM 255 N THR A 29 -5.850 23.300 -10.960 1.00 0.00 N ATOM 256 CA THR A 29 -7.080 23.630 -10.220 1.00 0.00 C ATOM 257 C THR A 29 -6.860 24.230 -8.840 1.00 0.00 C ATOM 258 O THR A 29 -5.830 24.060 -8.190 1.00 0.00 O ATOM 259 CB THR A 29 -7.960 22.390 -10.020 1.00 0.00 C ATOM 260 OG1 THR A 29 -7.170 21.360 -9.430 1.00 0.00 O ATOM 261 CG2 THR A 29 -8.660 21.930 -11.300 1.00 0.00 C ATOM 0 H THR A 29 -5.084 22.988 -10.364 1.00 0.00 H new ATOM 0 HA THR A 29 -7.558 24.381 -10.850 1.00 0.00 H new ATOM 0 HB THR A 29 -8.776 22.651 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.415 21.260 -8.486 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.266 21.049 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.301 22.730 -11.672 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.913 21.683 -12.055 1.00 0.00 H new ATOM 264 N GLY A 30 -7.850 25.040 -8.480 1.00 0.00 N ATOM 265 CA GLY A 30 -8.260 25.350 -7.100 1.00 0.00 C ATOM 266 C GLY A 30 -9.080 24.170 -6.570 1.00 0.00 C ATOM 267 O GLY A 30 -8.650 23.020 -6.620 1.00 0.00 O ATOM 0 H GLY A 30 -8.421 25.526 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.385 25.518 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.851 26.266 -7.075 1.00 0.00 H new ATOM 269 N TYR A 31 -10.280 24.500 -6.080 1.00 0.00 N ATOM 270 CA TYR A 31 -11.310 23.480 -5.820 1.00 0.00 C ATOM 271 C TYR A 31 -12.700 23.780 -6.370 1.00 0.00 C ATOM 272 O TYR A 31 -13.090 24.940 -6.550 1.00 0.00 O ATOM 273 CB TYR A 31 -11.360 23.090 -4.340 1.00 0.00 C ATOM 274 CG TYR A 31 -10.590 21.780 -4.140 1.00 0.00 C ATOM 275 CD1 TYR A 31 -11.210 20.600 -4.540 1.00 0.00 C ATOM 276 CD2 TYR A 31 -9.240 21.840 -3.800 1.00 0.00 C ATOM 277 CE1 TYR A 31 -10.440 19.450 -4.660 1.00 0.00 C ATOM 278 CE2 TYR A 31 -8.470 20.690 -3.920 1.00 0.00 C ATOM 279 CZ TYR A 31 -9.080 19.510 -4.360 1.00 0.00 C ATOM 280 OH TYR A 31 -8.330 18.390 -4.490 1.00 0.00 O ATOM 0 H TYR A 31 -10.563 25.454 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.978 22.620 -6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.924 23.880 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.394 22.971 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.269 20.579 -4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.801 22.763 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.889 18.522 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.418 20.706 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.705 17.826 -5.198 1.00 0.00 H new ATOM 283 N GLY A 32 -13.370 22.690 -6.730 1.00 0.00 N ATOM 284 CA GLY A 32 -14.720 22.710 -7.320 1.00 0.00 C ATOM 285 C GLY A 32 -14.670 22.960 -8.820 1.00 0.00 C ATOM 286 O GLY A 32 -13.920 22.310 -9.550 1.00 0.00 O ATOM 0 H GLY A 32 -12.991 21.749 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.217 21.760 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.316 23.486 -6.840 1.00 0.00 H new ATOM 288 N SER A 33 -15.450 23.950 -9.250 1.00 0.00 N ATOM 289 CA SER A 33 -15.530 24.400 -10.650 1.00 0.00 C ATOM 290 C SER A 33 -14.350 25.310 -11.020 1.00 0.00 C ATOM 291 O SER A 33 -14.420 26.530 -11.080 1.00 0.00 O ATOM 292 CB SER A 33 -16.880 25.080 -10.900 1.00 0.00 C ATOM 293 OG SER A 33 -17.200 25.920 -9.790 1.00 0.00 O ATOM 0 H SER A 33 -16.060 24.477 -8.625 1.00 0.00 H new ATOM 0 HA SER A 33 -15.461 23.529 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.839 25.669 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.658 24.329 -11.038 1.00 0.00 H new ATOM 0 HG SER A 33 -18.063 26.357 -9.949 1.00 0.00 H new ATOM 296 N SER A 34 -13.240 24.620 -11.260 1.00 0.00 N ATOM 297 CA SER A 34 -11.910 25.220 -11.440 1.00 0.00 C ATOM 298 C SER A 34 -11.250 24.750 -12.740 1.00 0.00 C ATOM 299 O SER A 34 -11.110 23.550 -12.990 1.00 0.00 O ATOM 300 CB SER A 34 -11.040 24.890 -10.230 1.00 0.00 C ATOM 301 OG SER A 34 -9.780 25.540 -10.350 1.00 0.00 O ATOM 0 H SER A 34 -13.233 23.603 -11.338 1.00 0.00 H new ATOM 0 HA SER A 34 -12.022 26.302 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.538 25.209 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.898 23.812 -10.156 1.00 0.00 H new ATOM 0 HG SER A 34 -9.833 26.433 -9.950 1.00 0.00 H new ATOM 304 N SER A 35 -10.880 25.730 -13.560 1.00 0.00 N ATOM 305 CA SER A 35 -10.510 25.510 -14.970 1.00 0.00 C ATOM 306 C SER A 35 -9.080 25.950 -15.330 1.00 0.00 C ATOM 307 O SER A 35 -8.740 27.130 -15.250 1.00 0.00 O ATOM 308 CB SER A 35 -11.510 26.210 -15.890 1.00 0.00 C ATOM 309 OG SER A 35 -11.650 27.590 -15.520 1.00 0.00 O ATOM 0 H SER A 35 -10.826 26.707 -13.271 1.00 0.00 H new ATOM 0 HA SER A 35 -10.539 24.430 -15.116 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.175 26.137 -16.925 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.478 25.712 -15.832 1.00 0.00 H new ATOM 0 HG SER A 35 -10.763 28.001 -15.449 1.00 0.00 H new ATOM 312 N ARG A 36 -8.250 24.940 -15.570 1.00 0.00 N ATOM 313 CA ARG A 36 -7.010 25.000 -16.370 1.00 0.00 C ATOM 314 C ARG A 36 -5.920 25.950 -15.890 1.00 0.00 C ATOM 315 O ARG A 36 -4.810 25.980 -16.430 1.00 0.00 O ATOM 316 CB ARG A 36 -7.410 25.220 -17.830 1.00 0.00 C ATOM 317 CG ARG A 36 -6.350 25.030 -18.920 1.00 0.00 C ATOM 318 CD ARG A 36 -5.740 23.630 -18.980 1.00 0.00 C ATOM 319 NE ARG A 36 -4.490 23.600 -18.200 1.00 0.00 N ATOM 320 CZ ARG A 36 -3.710 22.540 -17.960 1.00 0.00 C ATOM 321 NH1 ARG A 36 -4.020 21.300 -18.370 1.00 0.00 N ATOM 322 NH2 ARG A 36 -2.570 22.690 -17.280 1.00 0.00 N ATOM 0 H ARG A 36 -8.424 24.006 -15.198 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.503 24.044 -16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.237 24.545 -18.052 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.796 26.236 -17.918 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.798 25.258 -19.887 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.550 25.753 -18.760 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.445 22.898 -18.585 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.541 23.353 -20.015 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.185 24.487 -17.798 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.883 21.135 -18.889 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.393 20.523 -18.163 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.294 23.613 -16.944 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.975 21.882 -17.097 1.00 0.00 H new ATOM 329 N ARG A 37 -6.020 26.370 -14.630 1.00 0.00 N ATOM 330 CA ARG A 37 -5.390 27.590 -14.120 1.00 0.00 C ATOM 331 C ARG A 37 -4.050 27.400 -13.390 1.00 0.00 C ATOM 332 O ARG A 37 -3.670 28.170 -12.510 1.00 0.00 O ATOM 333 CB ARG A 37 -6.400 28.360 -13.270 1.00 0.00 C ATOM 334 CG ARG A 37 -6.940 27.580 -12.070 1.00 0.00 C ATOM 335 CD ARG A 37 -8.040 28.350 -11.340 1.00 0.00 C ATOM 336 NE ARG A 37 -9.240 28.440 -12.190 1.00 0.00 N ATOM 337 CZ ARG A 37 -10.510 28.460 -11.760 1.00 0.00 C ATOM 338 NH1 ARG A 37 -10.820 28.710 -10.480 1.00 0.00 N ATOM 339 NH2 ARG A 37 -11.510 28.490 -12.640 1.00 0.00 N ATOM 0 H ARG A 37 -6.550 25.864 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.108 28.172 -14.997 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.931 29.276 -12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.237 28.657 -13.902 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.331 26.620 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.125 27.367 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.285 27.850 -10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.688 29.350 -11.086 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.091 28.492 -13.198 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.080 28.892 -9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.796 28.718 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.309 28.498 -13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.476 28.505 -12.314 1.00 0.00 H new ATOM 346 N ALA A 38 -3.300 26.400 -13.840 1.00 0.00 N ATOM 347 CA ALA A 38 -1.930 26.140 -13.360 1.00 0.00 C ATOM 348 C ALA A 38 -1.020 25.650 -14.480 1.00 0.00 C ATOM 349 O ALA A 38 -1.220 24.550 -14.990 1.00 0.00 O ATOM 350 CB ALA A 38 -1.930 25.170 -12.180 1.00 0.00 C ATOM 0 H ALA A 38 -3.618 25.740 -14.550 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.526 27.090 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.905 24.999 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.510 25.594 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.375 24.224 -12.487 1.00 0.00 H new ATOM 352 N PRO A 39 -0.010 26.440 -14.840 1.00 0.00 N ATOM 353 CA PRO A 39 1.140 25.980 -15.640 1.00 0.00 C ATOM 354 C PRO A 39 1.860 24.760 -15.050 1.00 0.00 C ATOM 355 O PRO A 39 2.570 24.050 -15.760 1.00 0.00 O ATOM 356 CB PRO A 39 2.080 27.190 -15.700 1.00 0.00 C ATOM 357 CG PRO A 39 1.110 28.370 -15.650 1.00 0.00 C ATOM 358 CD PRO A 39 0.030 27.900 -14.670 1.00 0.00 C ATOM 0 HA PRO A 39 0.806 25.642 -16.621 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.777 27.203 -14.862 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.677 27.195 -16.612 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.601 29.279 -15.302 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.693 28.589 -16.633 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.278 28.174 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.935 28.353 -14.896 1.00 0.00 H new ATOM 359 N GLN A 40 1.730 24.580 -13.740 1.00 0.00 N ATOM 360 CA GLN A 40 2.020 23.320 -13.030 1.00 0.00 C ATOM 361 C GLN A 40 1.470 22.040 -13.670 1.00 0.00 C ATOM 362 O GLN A 40 2.030 20.970 -13.480 1.00 0.00 O ATOM 363 CB GLN A 40 1.530 23.580 -11.600 1.00 0.00 C ATOM 364 CG GLN A 40 1.790 22.440 -10.610 1.00 0.00 C ATOM 365 CD GLN A 40 0.560 21.550 -10.470 1.00 0.00 C ATOM 366 OE1 GLN A 40 0.350 20.570 -11.190 1.00 0.00 O ATOM 367 NE2 GLN A 40 -0.290 21.870 -9.500 1.00 0.00 N ATOM 0 H GLN A 40 1.412 25.322 -13.117 1.00 0.00 H new ATOM 0 HA GLN A 40 3.085 23.090 -13.071 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.011 24.483 -11.225 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.459 23.779 -11.629 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.638 21.845 -10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.058 22.852 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.108 22.682 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.124 21.304 -9.346 1.00 0.00 H new ATOM 371 N THR A 41 0.330 22.140 -14.350 1.00 0.00 N ATOM 372 CA THR A 41 -0.270 21.180 -15.290 1.00 0.00 C ATOM 373 C THR A 41 -1.280 20.140 -14.800 1.00 0.00 C ATOM 374 O THR A 41 -2.210 19.790 -15.520 1.00 0.00 O ATOM 375 CB THR A 41 0.630 20.420 -16.270 1.00 0.00 C ATOM 376 OG1 THR A 41 1.420 19.400 -15.640 1.00 0.00 O ATOM 377 CG2 THR A 41 1.490 21.340 -17.140 1.00 0.00 C ATOM 0 H THR A 41 -0.255 22.969 -14.252 1.00 0.00 H new ATOM 0 HA THR A 41 -0.793 21.996 -15.788 1.00 0.00 H new ATOM 0 HB THR A 41 -0.061 19.911 -16.942 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.776 19.739 -14.792 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.103 20.738 -17.811 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.845 21.994 -17.727 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.136 21.944 -16.503 1.00 0.00 H new ATOM 380 N GLY A 42 -0.990 19.590 -13.620 1.00 0.00 N ATOM 381 CA GLY A 42 -1.770 18.470 -13.060 1.00 0.00 C ATOM 382 C GLY A 42 -0.940 17.590 -12.120 1.00 0.00 C ATOM 383 O GLY A 42 0.100 17.070 -12.500 1.00 0.00 O ATOM 0 H GLY A 42 -0.219 19.899 -13.027 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.630 18.865 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.160 17.860 -13.875 1.00 0.00 H new ATOM 385 N ILE A 43 -1.400 17.520 -10.870 1.00 0.00 N ATOM 386 CA ILE A 43 -1.170 16.390 -9.960 1.00 0.00 C ATOM 387 C ILE A 43 -0.700 15.080 -10.600 1.00 0.00 C ATOM 388 O ILE A 43 0.460 14.700 -10.440 1.00 0.00 O ATOM 389 CB ILE A 43 -2.360 16.320 -9.000 1.00 0.00 C ATOM 390 CG1 ILE A 43 -1.870 16.530 -7.570 1.00 0.00 C ATOM 391 CG2 ILE A 43 -3.350 15.160 -9.110 1.00 0.00 C ATOM 392 CD1 ILE A 43 -0.900 15.480 -7.030 1.00 0.00 C ATOM 0 H ILE A 43 -1.957 18.264 -10.449 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.271 16.579 -9.373 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.000 17.136 -9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.386 17.505 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.738 16.566 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.127 15.272 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.805 15.163 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.825 14.218 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.621 15.734 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.379 14.501 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.006 15.455 -7.654 1.00 0.00 H new ATOM 394 N VAL A 44 -1.520 14.530 -11.490 1.00 0.00 N ATOM 395 CA VAL A 44 -1.220 13.270 -12.190 1.00 0.00 C ATOM 396 C VAL A 44 -0.140 13.450 -13.260 1.00 0.00 C ATOM 397 O VAL A 44 0.900 12.790 -13.220 1.00 0.00 O ATOM 398 CB VAL A 44 -2.490 12.640 -12.780 1.00 0.00 C ATOM 399 CG1 VAL A 44 -2.220 11.240 -13.320 1.00 0.00 C ATOM 400 CG2 VAL A 44 -3.600 12.520 -11.730 1.00 0.00 C ATOM 0 H VAL A 44 -2.416 14.941 -11.752 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.822 12.580 -11.446 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.806 13.301 -13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.141 10.824 -13.730 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.465 11.292 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.862 10.601 -12.513 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.483 12.070 -12.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.256 11.894 -10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.852 13.511 -11.352 1.00 0.00 H new ATOM 402 N ASP A 45 -0.360 14.500 -14.040 1.00 0.00 N ATOM 403 CA ASP A 45 0.490 14.950 -15.160 1.00 0.00 C ATOM 404 C ASP A 45 1.970 15.070 -14.750 1.00 0.00 C ATOM 405 O ASP A 45 2.850 14.530 -15.420 1.00 0.00 O ATOM 406 CB ASP A 45 0.010 16.290 -15.700 1.00 0.00 C ATOM 407 CG ASP A 45 -1.450 16.290 -16.160 1.00 0.00 C ATOM 408 OD1 ASP A 45 -2.320 16.180 -15.270 1.00 0.00 O ATOM 409 OD2 ASP A 45 -1.660 16.280 -17.400 1.00 0.00 O ATOM 0 H ASP A 45 -1.175 15.099 -13.911 1.00 0.00 H new ATOM 0 HA ASP A 45 0.409 14.191 -15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.136 17.048 -14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.644 16.580 -16.538 1.00 0.00 H new ATOM 411 N GLU A 46 2.190 15.710 -13.610 1.00 0.00 N ATOM 412 CA GLU A 46 3.480 15.760 -12.900 1.00 0.00 C ATOM 413 C GLU A 46 3.890 14.420 -12.290 1.00 0.00 C ATOM 414 O GLU A 46 4.610 13.680 -12.940 1.00 0.00 O ATOM 415 CB GLU A 46 3.480 16.880 -11.860 1.00 0.00 C ATOM 416 CG GLU A 46 3.430 18.290 -12.450 1.00 0.00 C ATOM 417 CD GLU A 46 4.620 18.710 -13.310 1.00 0.00 C ATOM 418 OE1 GLU A 46 5.700 18.070 -13.210 1.00 0.00 O ATOM 419 OE2 GLU A 46 4.460 19.730 -14.010 1.00 0.00 O ATOM 0 H GLU A 46 1.456 16.230 -13.130 1.00 0.00 H new ATOM 0 HA GLU A 46 4.240 15.983 -13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.624 16.745 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.375 16.788 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.526 18.376 -13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.334 19.000 -11.629 1.00 0.00 H new ATOM 421 N CYS A 47 3.260 14.010 -11.190 1.00 0.00 N ATOM 422 CA CYS A 47 3.770 12.920 -10.350 1.00 0.00 C ATOM 423 C CYS A 47 4.000 11.600 -11.110 1.00 0.00 C ATOM 424 O CYS A 47 5.060 11.000 -10.980 1.00 0.00 O ATOM 425 CB CYS A 47 2.890 12.670 -9.130 1.00 0.00 C ATOM 426 SG CYS A 47 3.620 11.550 -7.880 1.00 0.00 S ATOM 0 H CYS A 47 2.388 14.419 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 47 4.746 13.270 -10.015 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.668 13.626 -8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.940 12.251 -9.463 1.00 0.00 H new ATOM 428 N CYS A 48 3.060 11.250 -11.990 1.00 0.00 N ATOM 429 CA CYS A 48 3.130 10.000 -12.760 1.00 0.00 C ATOM 430 C CYS A 48 3.990 10.060 -14.030 1.00 0.00 C ATOM 431 O CYS A 48 4.500 9.020 -14.430 1.00 0.00 O ATOM 432 CB CYS A 48 1.710 9.470 -13.000 1.00 0.00 C ATOM 433 SG CYS A 48 1.610 7.900 -13.940 1.00 0.00 S ATOM 0 H CYS A 48 2.236 11.816 -12.190 1.00 0.00 H new ATOM 0 HA CYS A 48 3.676 9.280 -12.151 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.225 9.328 -12.034 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.141 10.231 -13.534 1.00 0.00 H new ATOM 435 N PHE A 49 4.220 11.240 -14.600 1.00 0.00 N ATOM 436 CA PHE A 49 4.910 11.360 -15.890 1.00 0.00 C ATOM 437 C PHE A 49 6.240 12.110 -15.830 1.00 0.00 C ATOM 438 O PHE A 49 7.100 11.880 -16.680 1.00 0.00 O ATOM 439 CB PHE A 49 3.930 12.000 -16.880 1.00 0.00 C ATOM 440 CG PHE A 49 2.690 11.150 -17.120 1.00 0.00 C ATOM 441 CD1 PHE A 49 2.780 9.960 -17.850 1.00 0.00 C ATOM 442 CD2 PHE A 49 1.490 11.520 -16.520 1.00 0.00 C ATOM 443 CE1 PHE A 49 1.670 9.130 -17.950 1.00 0.00 C ATOM 444 CE2 PHE A 49 0.380 10.690 -16.620 1.00 0.00 C ATOM 445 CZ PHE A 49 0.480 9.500 -17.330 1.00 0.00 C ATOM 0 H PHE A 49 3.939 12.131 -14.191 1.00 0.00 H new ATOM 0 HA PHE A 49 5.199 10.362 -16.219 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.627 12.977 -16.503 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.438 12.168 -17.829 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.707 9.688 -18.333 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.422 12.451 -15.977 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.730 8.205 -18.504 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.552 10.967 -16.150 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.380 8.851 -17.402 1.00 0.00 H new ATOM 447 N ARG A 50 6.440 12.920 -14.800 1.00 0.00 N ATOM 448 CA ARG A 50 7.530 13.890 -14.640 1.00 0.00 C ATOM 449 C ARG A 50 7.950 14.080 -13.180 1.00 0.00 C ATOM 450 O ARG A 50 8.730 13.270 -12.680 1.00 0.00 O ATOM 451 CB ARG A 50 7.180 15.220 -15.310 1.00 0.00 C ATOM 452 CG ARG A 50 7.290 15.180 -16.830 1.00 0.00 C ATOM 453 CD ARG A 50 6.660 16.420 -17.480 1.00 0.00 C ATOM 454 NE ARG A 50 5.200 16.400 -17.260 1.00 0.00 N ATOM 455 CZ ARG A 50 4.430 17.460 -16.980 1.00 0.00 C ATOM 456 NH1 ARG A 50 4.910 18.700 -16.840 1.00 0.00 N ATOM 457 NH2 ARG A 50 3.100 17.280 -16.900 1.00 0.00 N ATOM 0 H ARG A 50 5.808 12.922 -13.999 1.00 0.00 H new ATOM 0 HA ARG A 50 8.400 13.475 -15.148 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.164 15.501 -15.034 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.841 15.997 -14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.339 15.113 -17.117 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.799 14.283 -17.207 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.091 17.326 -17.054 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.878 16.435 -18.548 1.00 0.00 H new ATOM 0 HE ARG A 50 4.734 15.495 -17.327 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.909 18.875 -16.947 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.277 19.471 -16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.701 16.354 -17.051 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.490 18.070 -16.688 1.00 0.00 H new ATOM 464 N SER A 51 7.410 15.080 -12.480 1.00 0.00 N ATOM 465 CA SER A 51 7.920 15.530 -11.180 1.00 0.00 C ATOM 466 C SER A 51 7.040 15.060 -10.020 1.00 0.00 C ATOM 467 O SER A 51 5.920 15.550 -9.880 1.00 0.00 O ATOM 468 CB SER A 51 7.950 17.060 -11.120 1.00 0.00 C ATOM 469 OG SER A 51 8.640 17.560 -12.270 1.00 0.00 O ATOM 0 H SER A 51 6.598 15.607 -12.802 1.00 0.00 H new ATOM 0 HA SER A 51 8.919 15.104 -11.082 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.935 17.455 -11.089 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.448 17.391 -10.209 1.00 0.00 H new ATOM 0 HG SER A 51 7.988 17.861 -12.937 1.00 0.00 H new ATOM 472 N CYS A 52 7.470 14.100 -9.210 1.00 0.00 N ATOM 473 CA CYS A 52 7.160 14.140 -7.770 1.00 0.00 C ATOM 474 C CYS A 52 8.270 13.670 -6.820 1.00 0.00 C ATOM 475 O CYS A 52 8.890 12.630 -7.050 1.00 0.00 O ATOM 476 CB CYS A 52 5.850 13.460 -7.360 1.00 0.00 C ATOM 477 SG CYS A 52 5.640 11.780 -8.050 1.00 0.00 S ATOM 0 H CYS A 52 8.023 13.297 -9.509 1.00 0.00 H new ATOM 0 HA CYS A 52 7.051 15.217 -7.644 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.806 13.404 -6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.014 14.081 -7.681 1.00 0.00 H new ATOM 479 N ASP A 53 8.270 14.290 -5.640 1.00 0.00 N ATOM 480 CA ASP A 53 9.260 14.150 -4.570 1.00 0.00 C ATOM 481 C ASP A 53 9.060 15.240 -3.520 1.00 0.00 C ATOM 482 O ASP A 53 8.310 16.180 -3.750 1.00 0.00 O ATOM 483 CB ASP A 53 10.720 14.140 -5.030 1.00 0.00 C ATOM 484 CG ASP A 53 11.130 15.410 -5.790 1.00 0.00 C ATOM 485 OD1 ASP A 53 11.430 16.400 -5.080 1.00 0.00 O ATOM 486 OD2 ASP A 53 11.030 15.410 -7.030 1.00 0.00 O ATOM 0 H ASP A 53 7.531 14.946 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 53 9.079 13.162 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.366 14.022 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.885 13.273 -5.670 1.00 0.00 H new ATOM 488 N LEU A 54 9.960 15.260 -2.530 1.00 0.00 N ATOM 489 CA LEU A 54 9.950 16.210 -1.410 1.00 0.00 C ATOM 490 C LEU A 54 9.810 17.690 -1.780 1.00 0.00 C ATOM 491 O LEU A 54 9.000 18.410 -1.200 1.00 0.00 O ATOM 492 CB LEU A 54 11.120 15.980 -0.450 1.00 0.00 C ATOM 493 CG LEU A 54 12.510 16.100 -1.060 1.00 0.00 C ATOM 494 CD1 LEU A 54 13.500 16.600 -0.010 1.00 0.00 C ATOM 495 CD2 LEU A 54 12.990 14.790 -1.680 1.00 0.00 C ATOM 0 H LEU A 54 10.736 14.599 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 54 9.019 15.978 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.040 16.695 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.019 14.985 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 54 12.451 16.825 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.492 16.683 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 13.182 17.577 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.534 15.897 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.986 14.930 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.025 14.016 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.302 14.487 -2.469 1.00 0.00 H new ATOM 497 N ARG A 55 10.540 18.100 -2.820 1.00 0.00 N ATOM 498 CA ARG A 55 10.470 19.440 -3.420 1.00 0.00 C ATOM 499 C ARG A 55 9.380 19.550 -4.490 1.00 0.00 C ATOM 500 O ARG A 55 8.420 20.300 -4.320 1.00 0.00 O ATOM 501 CB ARG A 55 11.860 19.680 -4.010 1.00 0.00 C ATOM 502 CG ARG A 55 12.170 21.150 -4.290 1.00 0.00 C ATOM 503 CD ARG A 55 13.400 21.600 -3.490 1.00 0.00 C ATOM 504 NE ARG A 55 13.130 21.540 -2.050 1.00 0.00 N ATOM 505 CZ ARG A 55 13.630 20.660 -1.170 1.00 0.00 C ATOM 506 NH1 ARG A 55 14.520 19.720 -1.510 1.00 0.00 N ATOM 507 NH2 ARG A 55 13.120 20.610 0.070 1.00 0.00 N ATOM 0 H ARG A 55 11.217 17.493 -3.283 1.00 0.00 H new ATOM 0 HA ARG A 55 10.201 20.190 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.608 19.286 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.952 19.116 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.349 21.294 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.311 21.766 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.251 20.964 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.672 22.617 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 55 12.493 22.244 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.846 19.651 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.872 19.072 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.360 21.237 0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.492 19.945 0.748 1.00 0.00 H new ATOM 514 N ARG A 56 9.440 18.630 -5.450 1.00 0.00 N ATOM 515 CA ARG A 56 8.570 18.590 -6.630 1.00 0.00 C ATOM 516 C ARG A 56 7.200 17.970 -6.370 1.00 0.00 C ATOM 517 O ARG A 56 6.710 17.100 -7.080 1.00 0.00 O ATOM 518 CB ARG A 56 9.260 17.850 -7.780 1.00 0.00 C ATOM 519 CG ARG A 56 10.380 18.620 -8.490 1.00 0.00 C ATOM 520 CD ARG A 56 11.700 18.650 -7.730 1.00 0.00 C ATOM 521 NE ARG A 56 12.720 19.260 -8.610 1.00 0.00 N ATOM 522 CZ ARG A 56 13.600 18.580 -9.350 1.00 0.00 C ATOM 523 NH1 ARG A 56 13.710 17.250 -9.300 1.00 0.00 N ATOM 524 NH2 ARG A 56 14.170 19.190 -10.400 1.00 0.00 N ATOM 0 H ARG A 56 10.116 17.866 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 56 8.394 19.631 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.674 16.919 -7.392 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.505 17.580 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.548 18.172 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.049 19.644 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.597 19.225 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.998 17.641 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 56 12.754 20.278 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.107 16.711 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.397 16.773 -9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.929 20.156 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.844 18.688 -10.977 1.00 0.00 H new ATOM 531 N LEU A 57 6.690 18.270 -5.180 1.00 0.00 N ATOM 532 CA LEU A 57 5.260 18.080 -4.860 1.00 0.00 C ATOM 533 C LEU A 57 4.550 19.380 -4.510 1.00 0.00 C ATOM 534 O LEU A 57 3.650 19.770 -5.260 1.00 0.00 O ATOM 535 CB LEU A 57 5.130 17.010 -3.770 1.00 0.00 C ATOM 536 CG LEU A 57 4.930 15.660 -4.450 1.00 0.00 C ATOM 537 CD1 LEU A 57 5.380 14.530 -3.520 1.00 0.00 C ATOM 538 CD2 LEU A 57 3.490 15.460 -4.920 1.00 0.00 C ATOM 0 H LEU A 57 7.241 18.649 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 57 4.746 17.728 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.023 16.993 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.288 17.234 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 57 5.551 15.640 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.233 13.570 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.436 14.656 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.792 14.558 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.395 14.485 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.817 15.511 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.228 16.241 -5.634 1.00 0.00 H new ATOM 540 N GLU A 58 5.130 20.160 -3.600 1.00 0.00 N ATOM 541 CA GLU A 58 4.410 21.200 -2.840 1.00 0.00 C ATOM 542 C GLU A 58 3.290 22.000 -3.500 1.00 0.00 C ATOM 543 O GLU A 58 2.160 21.820 -3.040 1.00 0.00 O ATOM 544 CB GLU A 58 5.370 22.020 -1.970 1.00 0.00 C ATOM 545 CG GLU A 58 5.530 21.390 -0.580 1.00 0.00 C ATOM 546 CD GLU A 58 4.300 21.490 0.330 1.00 0.00 C ATOM 547 OE1 GLU A 58 4.170 22.550 0.970 1.00 0.00 O ATOM 548 OE2 GLU A 58 3.560 20.490 0.400 1.00 0.00 O ATOM 0 H GLU A 58 6.120 20.094 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 58 3.766 20.600 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.343 22.085 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.995 23.039 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.786 20.338 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.372 21.866 -0.078 1.00 0.00 H new ATOM 550 N MET A 59 3.460 22.580 -4.690 1.00 0.00 N ATOM 551 CA MET A 59 2.400 23.160 -5.520 1.00 0.00 C ATOM 552 C MET A 59 1.090 22.380 -5.630 1.00 0.00 C ATOM 553 O MET A 59 0.020 22.960 -5.850 1.00 0.00 O ATOM 554 CB MET A 59 3.040 23.210 -6.910 1.00 0.00 C ATOM 555 CG MET A 59 3.020 24.620 -7.500 1.00 0.00 C ATOM 556 SD MET A 59 4.240 25.790 -6.810 1.00 0.00 S ATOM 557 CE MET A 59 3.890 27.210 -7.830 1.00 0.00 C ATOM 0 H MET A 59 4.381 22.662 -5.121 1.00 0.00 H new ATOM 0 HA MET A 59 2.093 24.105 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.070 22.858 -6.848 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.510 22.530 -7.578 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.184 24.546 -8.575 1.00 0.00 H new ATOM 0 HG3 MET A 59 2.024 25.038 -7.358 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.548 28.032 -7.547 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.056 26.956 -8.877 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.852 27.512 -7.690 1.00 0.00 H new ATOM 559 N TYR A 60 1.240 21.060 -5.700 1.00 0.00 N ATOM 560 CA TYR A 60 0.230 20.000 -5.820 1.00 0.00 C ATOM 561 C TYR A 60 0.450 18.880 -4.810 1.00 0.00 C ATOM 562 O TYR A 60 -0.300 17.900 -4.830 1.00 0.00 O ATOM 563 CB TYR A 60 0.270 19.420 -7.240 1.00 0.00 C ATOM 564 CG TYR A 60 1.660 19.000 -7.740 1.00 0.00 C ATOM 565 CD1 TYR A 60 2.460 20.020 -8.240 1.00 0.00 C ATOM 566 CD2 TYR A 60 2.100 17.690 -7.670 1.00 0.00 C ATOM 567 CE1 TYR A 60 3.750 19.730 -8.670 1.00 0.00 C ATOM 568 CE2 TYR A 60 3.380 17.380 -8.120 1.00 0.00 C ATOM 569 CZ TYR A 60 4.180 18.410 -8.610 1.00 0.00 C ATOM 570 OH TYR A 60 5.340 18.190 -9.280 1.00 0.00 O ATOM 0 H TYR A 60 2.177 20.657 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.744 20.444 -5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.389 18.553 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.137 20.161 -7.929 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.083 21.030 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.458 16.918 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.400 20.509 -9.040 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.745 16.364 -8.090 1.00 0.00 H new ATOM 0 HH TYR A 60 5.456 17.228 -9.426 1.00 0.00 H new ATOM 573 N CYS A 61 1.250 19.170 -3.790 1.00 0.00 N ATOM 574 CA CYS A 61 1.450 18.210 -2.700 1.00 0.00 C ATOM 575 C CYS A 61 0.290 18.800 -1.890 1.00 0.00 C ATOM 576 O CYS A 61 -0.800 18.240 -1.840 1.00 0.00 O ATOM 577 CB CYS A 61 2.600 18.250 -1.690 1.00 0.00 C ATOM 578 SG CYS A 61 2.570 16.660 -0.790 1.00 0.00 S ATOM 0 H CYS A 61 1.765 20.045 -3.691 1.00 0.00 H new ATOM 0 HA CYS A 61 1.583 17.212 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.555 18.389 -2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.480 19.086 -1.001 1.00 0.00 H new ATOM 580 N ALA A 62 0.520 19.880 -1.130 1.00 0.00 N ATOM 581 CA ALA A 62 -0.220 21.140 -1.120 1.00 0.00 C ATOM 582 C ALA A 62 0.660 22.360 -0.830 1.00 0.00 C ATOM 583 O ALA A 62 1.490 22.270 0.080 1.00 0.00 O ATOM 584 CB ALA A 62 -1.310 21.160 -0.040 1.00 0.00 C ATOM 0 H ALA A 62 1.287 19.892 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.640 21.200 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.834 22.115 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.018 20.352 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.853 21.027 0.941 1.00 0.00 H new ATOM 586 N PRO A 63 0.460 23.510 -1.460 1.00 0.00 N ATOM 587 CA PRO A 63 1.440 24.610 -1.440 1.00 0.00 C ATOM 588 C PRO A 63 1.490 25.510 -0.210 1.00 0.00 C ATOM 589 O PRO A 63 2.110 26.570 -0.240 1.00 0.00 O ATOM 590 CB PRO A 63 1.120 25.410 -2.700 1.00 0.00 C ATOM 591 CG PRO A 63 -0.390 25.250 -2.850 1.00 0.00 C ATOM 592 CD PRO A 63 -0.630 23.810 -2.400 1.00 0.00 C ATOM 0 HA PRO A 63 2.438 24.174 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.404 26.457 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.653 25.022 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.935 25.962 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.713 25.410 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.603 23.705 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.617 23.126 -3.248 1.00 0.00 H new ATOM 593 N LEU A 64 1.080 24.970 0.940 1.00 0.00 N ATOM 594 CA LEU A 64 0.620 25.750 2.090 1.00 0.00 C ATOM 595 C LEU A 64 1.590 26.780 2.690 1.00 0.00 C ATOM 596 O LEU A 64 1.130 27.840 3.120 1.00 0.00 O ATOM 597 CB LEU A 64 0.070 24.850 3.200 1.00 0.00 C ATOM 598 CG LEU A 64 -1.380 24.450 2.920 1.00 0.00 C ATOM 599 CD1 LEU A 64 -1.800 23.350 3.890 1.00 0.00 C ATOM 600 CD2 LEU A 64 -2.330 25.640 3.030 1.00 0.00 C ATOM 0 H LEU A 64 1.058 23.963 1.100 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.169 26.357 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.687 23.955 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.128 25.370 4.156 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.438 24.082 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.833 23.064 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.152 22.483 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.715 23.715 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.349 25.312 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.279 26.055 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.041 26.404 2.308 1.00 0.00 H new ATOM 602 N LYS A 65 2.850 26.400 2.870 1.00 0.00 N ATOM 603 CA LYS A 65 3.890 27.400 3.180 1.00 0.00 C ATOM 604 C LYS A 65 4.880 27.710 2.050 1.00 0.00 C ATOM 605 O LYS A 65 5.240 28.880 1.880 1.00 0.00 O ATOM 606 CB LYS A 65 4.550 27.160 4.540 1.00 0.00 C ATOM 607 CG LYS A 65 3.570 27.100 5.720 1.00 0.00 C ATOM 608 CD LYS A 65 2.830 28.420 5.960 1.00 0.00 C ATOM 609 CE LYS A 65 1.630 28.250 6.880 1.00 0.00 C ATOM 610 NZ LYS A 65 0.630 27.370 6.250 1.00 0.00 N ATOM 0 H LYS A 65 3.180 25.437 2.811 1.00 0.00 H new ATOM 0 HA LYS A 65 3.339 28.337 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.108 26.224 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.273 27.955 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.841 26.310 5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.116 26.828 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.518 29.146 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.498 28.827 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.949 27.827 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.186 29.222 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.324 27.659 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.706 27.443 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.801 26.386 6.541 1.00 0.00 H new ATOM 614 N PRO A 66 5.350 26.710 1.320 1.00 0.00 N ATOM 615 CA PRO A 66 6.090 26.930 0.070 1.00 0.00 C ATOM 616 C PRO A 66 5.290 26.620 -1.200 1.00 0.00 C ATOM 617 O PRO A 66 4.800 25.520 -1.430 1.00 0.00 O ATOM 618 CB PRO A 66 7.300 26.000 0.190 1.00 0.00 C ATOM 619 CG PRO A 66 6.740 24.790 0.930 1.00 0.00 C ATOM 620 CD PRO A 66 5.710 25.400 1.880 1.00 0.00 C ATOM 0 HA PRO A 66 6.348 27.983 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.695 25.726 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.114 26.468 0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.282 24.077 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.519 24.255 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.832 24.759 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.123 25.507 2.883 1.00 0.00 H new ATOM 621 N ALA A 67 5.340 27.600 -2.100 1.00 0.00 N ATOM 622 CA ALA A 67 4.920 27.430 -3.500 1.00 0.00 C ATOM 623 C ALA A 67 6.060 26.800 -4.300 1.00 0.00 C ATOM 624 O ALA A 67 6.900 27.470 -4.890 1.00 0.00 O ATOM 625 CB ALA A 67 4.470 28.780 -4.070 1.00 0.00 C ATOM 0 H ALA A 67 5.673 28.539 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 67 4.067 26.755 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.159 28.652 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.633 29.161 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.297 29.488 -4.024 1.00 0.00 H new ATOM 627 N LYS A 68 6.120 25.470 -4.190 1.00 0.00 N ATOM 628 CA LYS A 68 7.320 24.710 -4.580 1.00 0.00 C ATOM 629 C LYS A 68 7.020 23.540 -5.530 1.00 0.00 C ATOM 630 O LYS A 68 6.190 22.680 -5.230 1.00 0.00 O ATOM 631 CB LYS A 68 7.980 24.260 -3.280 1.00 0.00 C ATOM 632 CG LYS A 68 9.480 23.970 -3.380 1.00 0.00 C ATOM 633 CD LYS A 68 10.130 23.940 -1.990 1.00 0.00 C ATOM 634 CE LYS A 68 10.010 22.620 -1.230 1.00 0.00 C ATOM 635 NZ LYS A 68 8.620 22.270 -0.900 1.00 0.00 N ATOM 0 H LYS A 68 5.356 24.895 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 68 7.993 25.340 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.824 25.031 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.475 23.361 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.636 23.014 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.961 24.732 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.188 24.180 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.684 24.729 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.447 21.821 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.591 22.683 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.610 21.607 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.097 23.131 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.169 21.824 -1.724 1.00 0.00 H new ATOM 639 N SER A 69 7.470 23.720 -6.760 1.00 0.00 N ATOM 640 CA SER A 69 7.580 22.670 -7.780 1.00 0.00 C ATOM 641 C SER A 69 8.680 23.020 -8.790 1.00 0.00 C ATOM 642 O SER A 69 9.010 24.180 -8.980 1.00 0.00 O ATOM 643 CB SER A 69 6.270 22.490 -8.560 1.00 0.00 C ATOM 644 OG SER A 69 5.840 23.730 -9.130 1.00 0.00 O ATOM 0 H SER A 69 7.782 24.631 -7.096 1.00 0.00 H new ATOM 0 HA SER A 69 7.816 21.746 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.411 21.752 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.497 22.103 -7.896 1.00 0.00 H new ATOM 0 HG SER A 69 5.514 24.321 -8.420 1.00 0.00 H new ATOM 647 N ALA A 70 9.290 21.970 -9.350 1.00 0.00 N ATOM 648 CA ALA A 70 10.420 22.100 -10.270 1.00 0.00 C ATOM 649 C ALA A 70 10.580 20.940 -11.260 1.00 0.00 C ATOM 650 O ALA A 70 11.620 20.880 -11.950 1.00 0.00 O ATOM 651 CB ALA A 70 11.710 22.320 -9.470 1.00 0.00 C ATOM 652 OXT ALA A 70 9.620 20.140 -11.350 1.00 0.00 O ATOM 0 H ALA A 70 9.012 21.004 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 70 10.206 22.968 -10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.552 22.417 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.619 23.230 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.877 21.470 -8.808 1.00 0.00 H new TER 654 ALA A 70 CONECT 48 433 CONECT 149 578 CONECT 426 477 CONECT 433 48 CONECT 477 426 CONECT 578 149 END