USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) HEADER PLASMINOGEN ACTIVATION 14-JUN-95 1TPG TITLE F1-G MODULE PAIR RESIDUES 1-91 (C83S) OF TISSUE-TYPE TITLE 2 PLASMINOGEN ACTIVATOR (T-PA) (NMR, 298K, PH2.95, TITLE 3 REPRESENTATIVE STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: T-PLASMINOGEN ACTIVATOR F1-G; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.68; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 6 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PSW6 KEYWDS PLASMINOGEN ACTIVATION EXPDTA SOLUTION NMR AUTHOR B.O.SMITH,A.K.DOWNING,P.C.DRISCOLL,T.J.DUDGEON,I.D.CAMPBELL REVDAT 2 24-FEB-09 1TPG 1 VERSN REVDAT 1 15-SEP-95 1TPG 0 JRNL AUTH B.O.SMITH,A.K.DOWNING,P.C.DRISCOLL,T.J.DUDGEON, JRNL AUTH 2 I.D.CAMPBELL JRNL TITL THE SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF JRNL TITL 2 THE FIBRONECTIN TYPE I AND EPIDERMAL GROWTH JRNL TITL 3 FACTOR-LIKE PAIR OF MODULES OF TISSUE-TYPE JRNL TITL 4 PLASMINOGEN ACTIVATOR. JRNL REF STRUCTURE V. 3 823 1995 JRNL REFN ISSN 0969-2126 JRNL PMID 7582899 JRNL DOI 10.1016/S0969-2126(01)00217-9 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.O.SMITH,A.K.DOWNING,T.J.DUDGEON,M.CUNNINGHAM, REMARK 1 AUTH 2 P.C.DRISCOLL,I.D.CAMPBELL REMARK 1 TITL SECONDARY STRUCTURE OF FIBRONECTIN TYPE 1 AND REMARK 1 TITL 2 EPIDERMAL GROWTH FACTOR MODULES FROM TISSUE-TYPE REMARK 1 TITL 3 PLASMINOGEN ACTIVATOR BY NUCLEAR MAGNETIC RESONANCE REMARK 1 REF BIOCHEMISTRY V. 33 2422 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TPG 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: 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 4 88.75 -150.79 REMARK 500 CYS A 6 97.82 83.02 REMARK 500 LEU A 26 -91.33 -100.52 REMARK 500 SER A 28 -80.50 -40.84 REMARK 500 ASN A 29 -18.78 148.77 REMARK 500 ALA A 41 95.61 58.81 REMARK 500 HIS A 44 140.03 -178.37 REMARK 500 PRO A 54 95.42 -65.73 REMARK 500 PHE A 68 -169.60 -101.29 REMARK 500 CYS A 75 85.53 -170.89 REMARK 500 PRO A 76 -161.30 -64.46 REMARK 500 GLU A 77 -54.63 87.28 REMARK 500 PHE A 79 -148.70 -65.18 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 7 0.30 SIDE_CHAIN REMARK 500 ARG A 23 0.31 SIDE_CHAIN REMARK 500 ARG A 27 0.25 SIDE_CHAIN REMARK 500 ARG A 30 0.18 SIDE_CHAIN REMARK 500 ARG A 40 0.28 SIDE_CHAIN REMARK 500 ARG A 55 0.24 SIDE_CHAIN REMARK 500 ARG A 89 0.25 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1TPG A 1 91 UNP P00750 TPA_HUMAN 36 126 SEQADV 1TPG SER A 83 UNP P00750 CYS 118 CONFLICT SEQRES 1 A 91 SER TYR GLN VAL ILE CYS ARG ASP GLU LYS THR GLN MET SEQRES 2 A 91 ILE TYR GLN GLN HIS GLN SER TRP LEU ARG PRO VAL LEU SEQRES 3 A 91 ARG SER ASN ARG VAL GLU TYR CYS TRP CYS ASN SER GLY SEQRES 4 A 91 ARG ALA GLN CYS HIS SER VAL PRO VAL LYS SER CYS SER SEQRES 5 A 91 GLU PRO ARG CYS PHE ASN GLY GLY THR CYS GLN GLN ALA SEQRES 6 A 91 LEU TYR PHE SER ASP PHE VAL CYS GLN CYS PRO GLU GLY SEQRES 7 A 91 PHE ALA GLY LYS SER CYS GLU ILE ASP THR ARG ALA THR SHEET 1 A 2 SER A 20 PRO A 24 0 SHEET 2 A 2 VAL A 31 TRP A 35 -1 N CYS A 34 O TRP A 21 SHEET 1 B 3 VAL A 48 SER A 50 0 SHEET 2 B 3 THR A 61 ALA A 65 -1 N GLN A 64 O LYS A 49 SHEET 3 B 3 PHE A 71 GLN A 74 -1 N GLN A 74 O THR A 61 SSBOND *** CYS A 6 CYS A 36 1555 1555 2.01 SSBOND *** CYS A 34 CYS A 43 1555 1555 2.02 SSBOND *** CYS A 51 CYS A 62 1555 1555 2.03 SSBOND *** CYS A 56 CYS A 73 1555 1555 2.02 SSBOND *** CYS A 75 CYS A 84 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 59:sc= 0.372 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.735 K(o=-0.73,f=-0.064) USER MOD Single : A 18 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.49) USER MOD Single : A 19 GLN : amide:sc= -0.255 K(o=-0.25,f=-3.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.01! C(o=-3!,f=-6.5!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 42 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.14) USER MOD Single : A 44 HIS : no HE2:sc= -5.19! K(o=-5.2!,f=-2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.97 K(o=-2,f=-5.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.001) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 110:sc= 1.38 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0179 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.461 -18.708 -3.754 1.00 0.00 N ATOM 2 CA SER A 1 23.053 -18.250 -5.041 1.00 0.00 C ATOM 3 C SER A 1 22.223 -17.091 -5.602 1.00 0.00 C ATOM 4 O SER A 1 22.707 -15.988 -5.768 1.00 0.00 O ATOM 5 CB SER A 1 23.053 -19.407 -6.040 1.00 0.00 C ATOM 6 OG SER A 1 24.046 -20.355 -5.663 1.00 0.00 O ATOM 0 H1 SER A 1 23.024 -19.495 -3.373 1.00 0.00 H new ATOM 0 H2 SER A 1 22.460 -17.922 -3.073 1.00 0.00 H new ATOM 0 H3 SER A 1 21.485 -19.028 -3.915 1.00 0.00 H new ATOM 0 HA SER A 1 24.076 -17.915 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 1 22.072 -19.881 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.252 -19.035 -7.045 1.00 0.00 H new ATOM 0 HG SER A 1 24.047 -21.099 -6.301 1.00 0.00 H new ATOM 14 N TYR A 2 20.980 -17.334 -5.892 1.00 0.00 N ATOM 15 CA TYR A 2 20.113 -16.252 -6.441 1.00 0.00 C ATOM 16 C TYR A 2 19.811 -15.234 -5.343 1.00 0.00 C ATOM 17 O TYR A 2 20.331 -15.317 -4.250 1.00 0.00 O ATOM 18 CB TYR A 2 18.816 -16.863 -6.967 1.00 0.00 C ATOM 19 CG TYR A 2 19.125 -17.675 -8.206 1.00 0.00 C ATOM 20 CD1 TYR A 2 19.529 -17.030 -9.382 1.00 0.00 C ATOM 21 CD2 TYR A 2 19.019 -19.072 -8.175 1.00 0.00 C ATOM 22 CE1 TYR A 2 19.825 -17.780 -10.528 1.00 0.00 C ATOM 23 CE2 TYR A 2 19.315 -19.822 -9.323 1.00 0.00 C ATOM 24 CZ TYR A 2 19.717 -19.175 -10.498 1.00 0.00 C ATOM 25 OH TYR A 2 20.012 -19.915 -11.626 1.00 0.00 O ATOM 0 H TYR A 2 20.522 -18.238 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 2 20.626 -15.746 -7.259 1.00 0.00 H new ATOM 0 HB2 TYR A 2 18.361 -17.496 -6.205 1.00 0.00 H new ATOM 0 HB3 TYR A 2 18.097 -16.078 -7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 2 19.612 -15.953 -9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 2 18.710 -19.571 -7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 2 20.136 -17.282 -11.434 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.233 -20.899 -9.301 1.00 0.00 H new ATOM 0 HH TYR A 2 19.887 -20.868 -11.434 1.00 0.00 H new ATOM 35 N GLN A 3 18.989 -14.267 -5.625 1.00 0.00 N ATOM 36 CA GLN A 3 18.678 -13.246 -4.599 1.00 0.00 C ATOM 37 C GLN A 3 17.247 -12.752 -4.776 1.00 0.00 C ATOM 38 O GLN A 3 16.855 -12.299 -5.833 1.00 0.00 O ATOM 39 CB GLN A 3 19.652 -12.082 -4.744 1.00 0.00 C ATOM 40 CG GLN A 3 20.738 -12.198 -3.674 1.00 0.00 C ATOM 41 CD GLN A 3 20.457 -11.200 -2.550 1.00 0.00 C ATOM 42 OE1 GLN A 3 20.546 -10.005 -2.747 1.00 0.00 O ATOM 43 NE2 GLN A 3 20.120 -11.644 -1.369 1.00 0.00 N ATOM 0 H GLN A 3 18.520 -14.141 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 3 18.777 -13.683 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 3 20.101 -12.090 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 3 19.123 -11.135 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 3 20.764 -13.212 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 3 21.717 -12.002 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.045 -12.648 -1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.931 -10.987 -0.612 1.00 0.00 H new ATOM 52 N VAL A 4 16.467 -12.844 -3.742 1.00 0.00 N ATOM 53 CA VAL A 4 15.055 -12.393 -3.816 1.00 0.00 C ATOM 54 C VAL A 4 14.629 -11.930 -2.412 1.00 0.00 C ATOM 55 O VAL A 4 14.175 -12.706 -1.596 1.00 0.00 O ATOM 56 CB VAL A 4 14.191 -13.564 -4.293 1.00 0.00 C ATOM 57 CG1 VAL A 4 14.357 -14.761 -3.350 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.740 -13.134 -4.321 1.00 0.00 C ATOM 0 H VAL A 4 16.751 -13.217 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 4 14.936 -11.567 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 4 14.506 -13.859 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.738 -15.588 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.402 -15.071 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.049 -14.477 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.121 -13.965 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.430 -12.835 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.623 -12.292 -5.003 1.00 0.00 H new ATOM 68 N ILE A 5 14.844 -10.679 -2.106 1.00 56.44 N ATOM 69 CA ILE A 5 14.530 -10.184 -0.735 1.00 30.69 C ATOM 70 C ILE A 5 13.331 -9.203 -0.703 1.00 26.80 C ATOM 71 O ILE A 5 12.822 -8.779 -1.719 1.00 0.00 O ATOM 72 CB ILE A 5 15.779 -9.466 -0.210 1.00 0.00 C ATOM 73 CG1 ILE A 5 17.035 -10.151 -0.761 1.00 0.00 C ATOM 74 CG2 ILE A 5 15.818 -9.508 1.308 1.00 0.00 C ATOM 75 CD1 ILE A 5 17.533 -9.406 -2.001 1.00 0.00 C ATOM 0 H ILE A 5 15.223 -9.980 -2.745 1.00 56.44 H new ATOM 0 HA ILE A 5 14.251 -11.038 -0.118 1.00 30.69 H new ATOM 0 HB ILE A 5 15.746 -8.427 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.814 -10.168 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 16.813 -11.188 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 5 16.711 -8.994 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.932 -9.015 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.839 -10.545 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.426 -9.898 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.756 -9.412 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.773 -8.376 -1.735 1.00 0.00 H new ATOM 87 N CYS A 6 12.918 -8.853 0.513 1.00 14.40 N ATOM 88 CA CYS A 6 11.780 -7.891 0.763 1.00 10.55 C ATOM 89 C CYS A 6 10.417 -8.581 0.689 1.00 18.69 C ATOM 90 O CYS A 6 9.839 -8.763 -0.362 1.00 0.00 O ATOM 91 CB CYS A 6 11.830 -6.689 -0.188 1.00 0.00 C ATOM 92 SG CYS A 6 13.437 -5.879 0.005 1.00 0.00 S ATOM 0 H CYS A 6 13.343 -9.212 1.368 1.00 14.40 H new ATOM 0 HA CYS A 6 11.908 -7.520 1.780 1.00 10.55 H new ATOM 0 HB2 CYS A 6 11.690 -7.014 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 6 11.024 -5.992 0.039 1.00 0.00 H new ATOM 97 N ARG A 7 9.903 -8.925 1.840 1.00 24.07 N ATOM 98 CA ARG A 7 8.572 -9.563 1.951 1.00 40.98 C ATOM 99 C ARG A 7 7.723 -8.631 2.808 1.00 46.13 C ATOM 100 O ARG A 7 8.226 -7.664 3.346 1.00 0.00 O ATOM 101 CB ARG A 7 8.727 -10.932 2.639 1.00 0.00 C ATOM 102 CG ARG A 7 7.375 -11.630 2.772 1.00 0.00 C ATOM 103 CD ARG A 7 7.596 -13.117 3.064 1.00 0.00 C ATOM 104 NE ARG A 7 8.134 -13.287 4.441 1.00 0.00 N ATOM 105 CZ ARG A 7 8.093 -14.460 5.014 1.00 0.00 C ATOM 106 NH1 ARG A 7 6.946 -14.973 5.369 1.00 0.00 N ATOM 107 NH2 ARG A 7 9.198 -15.123 5.229 1.00 0.00 N ATOM 0 H ARG A 7 10.373 -8.782 2.734 1.00 24.07 H new ATOM 0 HA ARG A 7 8.110 -9.723 0.977 1.00 40.98 H new ATOM 0 HB2 ARG A 7 9.409 -11.558 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.171 -10.800 3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.795 -11.173 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.800 -11.510 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.657 -13.660 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.290 -13.540 2.338 1.00 0.00 H new ATOM 0 HE ARG A 7 8.534 -12.490 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.082 -14.458 5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.914 -15.889 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.094 -14.725 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.164 -16.039 5.677 1.00 0.00 H new ATOM 121 N ASP A 8 6.461 -8.872 2.938 1.00 67.29 N ATOM 122 CA ASP A 8 5.633 -7.937 3.766 1.00 81.92 C ATOM 123 C ASP A 8 4.664 -8.706 4.671 1.00109.10 C ATOM 124 O ASP A 8 4.123 -9.731 4.304 1.00 0.00 O ATOM 125 CB ASP A 8 4.846 -7.015 2.841 1.00 0.00 C ATOM 126 CG ASP A 8 4.713 -5.637 3.492 1.00 0.00 C ATOM 127 OD1 ASP A 8 4.119 -5.561 4.556 1.00 0.00 O ATOM 128 OD2 ASP A 8 5.206 -4.681 2.916 1.00 0.00 O ATOM 0 H ASP A 8 5.962 -9.657 2.521 1.00 67.29 H new ATOM 0 HA ASP A 8 6.299 -7.354 4.402 1.00 81.92 H new ATOM 0 HB2 ASP A 8 5.352 -6.928 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.859 -7.434 2.645 1.00 0.00 H new ATOM 133 N GLU A 9 4.438 -8.195 5.860 1.00125.53 N ATOM 134 CA GLU A 9 3.502 -8.864 6.810 1.00163.73 C ATOM 135 C GLU A 9 2.303 -7.945 7.079 1.00177.24 C ATOM 136 O GLU A 9 1.196 -8.399 7.294 1.00 0.00 O ATOM 137 CB GLU A 9 4.221 -9.141 8.131 1.00 0.00 C ATOM 138 CG GLU A 9 5.372 -10.115 7.895 1.00 0.00 C ATOM 139 CD GLU A 9 5.793 -10.739 9.229 1.00 0.00 C ATOM 140 OE1 GLU A 9 5.413 -10.203 10.258 1.00 0.00 O ATOM 141 OE2 GLU A 9 6.487 -11.741 9.198 1.00 0.00 O ATOM 0 H GLU A 9 4.866 -7.338 6.211 1.00125.53 H new ATOM 0 HA GLU A 9 3.160 -9.802 6.374 1.00163.73 H new ATOM 0 HB2 GLU A 9 4.600 -8.210 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.522 -9.558 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.066 -10.894 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.216 -9.595 7.442 1.00 0.00 H new ATOM 148 N LYS A 10 2.513 -6.653 7.060 1.00162.18 N ATOM 149 CA LYS A 10 1.389 -5.712 7.303 1.00175.90 C ATOM 150 C LYS A 10 0.400 -5.858 6.174 1.00172.35 C ATOM 151 O LYS A 10 -0.768 -6.128 6.371 1.00 0.00 O ATOM 152 CB LYS A 10 1.928 -4.284 7.325 1.00 0.00 C ATOM 153 CG LYS A 10 0.778 -3.303 7.585 1.00 0.00 C ATOM 154 CD LYS A 10 1.329 -2.018 8.210 1.00 0.00 C ATOM 155 CE LYS A 10 1.121 -2.059 9.725 1.00 0.00 C ATOM 156 NZ LYS A 10 1.558 -0.765 10.324 1.00 0.00 N ATOM 0 H LYS A 10 3.417 -6.213 6.886 1.00162.18 H new ATOM 0 HA LYS A 10 0.907 -5.930 8.256 1.00175.90 H new ATOM 0 HB2 LYS A 10 2.687 -4.183 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.410 -4.052 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.264 -3.074 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.043 -3.757 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.390 -1.915 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.825 -1.149 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.071 -2.241 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.689 -2.882 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.416 -0.794 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.565 -0.609 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.998 0.012 9.919 1.00 0.00 H new ATOM 170 N THR A 11 0.870 -5.695 4.986 1.00145.73 N ATOM 171 CA THR A 11 -0.018 -5.833 3.800 1.00149.61 C ATOM 172 C THR A 11 -0.193 -7.324 3.455 1.00170.98 C ATOM 173 O THR A 11 -1.121 -7.700 2.767 1.00 0.00 O ATOM 174 CB THR A 11 0.606 -5.104 2.605 1.00 0.00 C ATOM 175 OG1 THR A 11 -0.239 -5.248 1.471 1.00 0.00 O ATOM 176 CG2 THR A 11 1.977 -5.704 2.298 1.00 0.00 C ATOM 0 H THR A 11 1.842 -5.469 4.773 1.00145.73 H new ATOM 0 HA THR A 11 -0.991 -5.396 4.026 1.00149.61 H new ATOM 0 HB THR A 11 0.720 -4.047 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.158 -4.781 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.419 -5.185 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.625 -5.594 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.866 -6.762 2.059 1.00 0.00 H new ATOM 184 N GLN A 12 0.695 -8.174 3.927 1.00174.78 N ATOM 185 CA GLN A 12 0.579 -9.635 3.624 1.00201.21 C ATOM 186 C GLN A 12 0.858 -9.872 2.129 1.00167.12 C ATOM 187 O GLN A 12 0.101 -10.520 1.435 1.00 0.00 O ATOM 188 CB GLN A 12 -0.831 -10.132 3.993 1.00 0.00 C ATOM 189 CG GLN A 12 -0.725 -11.171 5.114 1.00 0.00 C ATOM 190 CD GLN A 12 -0.783 -12.580 4.518 1.00 0.00 C ATOM 191 OE1 GLN A 12 -0.063 -12.890 3.589 1.00 0.00 O ATOM 192 NE2 GLN A 12 -1.615 -13.454 5.020 1.00 0.00 N ATOM 0 H GLN A 12 1.493 -7.916 4.508 1.00174.78 H new ATOM 0 HA GLN A 12 1.309 -10.190 4.212 1.00201.21 H new ATOM 0 HB2 GLN A 12 -1.451 -9.295 4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.315 -10.570 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.208 -11.035 5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.537 -11.034 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.219 -13.194 5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.660 -14.396 4.632 1.00 0.00 H new ATOM 201 N MET A 13 1.955 -9.355 1.638 1.00148.40 N ATOM 202 CA MET A 13 2.303 -9.550 0.198 1.00141.34 C ATOM 203 C MET A 13 3.824 -9.691 0.064 1.00108.64 C ATOM 204 O MET A 13 4.583 -9.084 0.792 1.00 0.00 O ATOM 205 CB MET A 13 1.823 -8.346 -0.620 1.00 0.00 C ATOM 206 CG MET A 13 0.873 -8.822 -1.724 1.00 0.00 C ATOM 207 SD MET A 13 0.639 -7.493 -2.933 1.00 0.00 S ATOM 208 CE MET A 13 0.024 -8.527 -4.289 1.00 0.00 C ATOM 0 H MET A 13 2.626 -8.805 2.174 1.00148.40 H new ATOM 0 HA MET A 13 1.816 -10.450 -0.176 1.00141.34 H new ATOM 0 HB2 MET A 13 1.315 -7.632 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.676 -7.828 -1.058 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.281 -9.706 -2.214 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.086 -9.110 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.189 -7.901 -5.156 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.779 -9.268 -4.553 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.888 -9.035 -3.975 1.00 0.00 H new ATOM 218 N ILE A 14 4.273 -10.500 -0.853 1.00112.25 N ATOM 219 CA ILE A 14 5.738 -10.698 -1.032 1.00 89.58 C ATOM 220 C ILE A 14 6.244 -9.851 -2.197 1.00 78.28 C ATOM 221 O ILE A 14 5.518 -9.552 -3.126 1.00 0.00 O ATOM 222 CB ILE A 14 5.995 -12.165 -1.345 1.00 0.00 C ATOM 223 CG1 ILE A 14 7.450 -12.501 -1.063 1.00 0.00 C ATOM 224 CG2 ILE A 14 5.687 -12.433 -2.816 1.00 0.00 C ATOM 225 CD1 ILE A 14 7.506 -13.615 -0.032 1.00 0.00 C ATOM 0 H ILE A 14 3.684 -11.036 -1.491 1.00112.25 H new ATOM 0 HA ILE A 14 6.257 -10.401 -0.121 1.00 89.58 H new ATOM 0 HB ILE A 14 5.353 -12.785 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.950 -12.811 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.976 -11.620 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.871 -13.484 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.642 -12.196 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.327 -11.811 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.546 -13.864 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.019 -13.286 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.993 -14.495 -0.419 1.00 0.00 H new ATOM 237 N TYR A 15 7.491 -9.481 -2.161 1.00 55.68 N ATOM 238 CA TYR A 15 8.072 -8.673 -3.266 1.00 52.90 C ATOM 239 C TYR A 15 9.454 -9.229 -3.591 1.00 54.63 C ATOM 240 O TYR A 15 10.262 -9.457 -2.712 1.00 0.00 O ATOM 241 CB TYR A 15 8.183 -7.211 -2.834 1.00 0.00 C ATOM 242 CG TYR A 15 6.800 -6.660 -2.584 1.00 0.00 C ATOM 243 CD1 TYR A 15 5.903 -6.512 -3.649 1.00 0.00 C ATOM 244 CD2 TYR A 15 6.414 -6.300 -1.287 1.00 0.00 C ATOM 245 CE1 TYR A 15 4.621 -6.004 -3.417 1.00 0.00 C ATOM 246 CE2 TYR A 15 5.131 -5.793 -1.057 1.00 0.00 C ATOM 247 CZ TYR A 15 4.234 -5.646 -2.122 1.00 0.00 C ATOM 248 OH TYR A 15 2.970 -5.146 -1.895 1.00 0.00 O ATOM 0 H TYR A 15 8.139 -9.706 -1.406 1.00 55.68 H new ATOM 0 HA TYR A 15 7.433 -8.726 -4.148 1.00 52.90 H new ATOM 0 HB2 TYR A 15 8.788 -7.131 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.685 -6.628 -3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.201 -6.790 -4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.106 -6.414 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.929 -5.888 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.832 -5.515 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 15 2.302 -5.801 -2.186 1.00 0.00 H new ATOM 258 N GLN A 16 9.728 -9.483 -4.836 1.00 58.22 N ATOM 259 CA GLN A 16 11.048 -10.062 -5.196 1.00 65.25 C ATOM 260 C GLN A 16 12.106 -8.962 -5.366 1.00 55.15 C ATOM 261 O GLN A 16 11.889 -7.811 -5.046 1.00 0.00 O ATOM 262 CB GLN A 16 10.910 -10.862 -6.499 1.00 0.00 C ATOM 263 CG GLN A 16 10.405 -9.949 -7.621 1.00 0.00 C ATOM 264 CD GLN A 16 10.970 -10.431 -8.961 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.807 -9.778 -9.553 1.00 0.00 O ATOM 266 NE2 GLN A 16 10.545 -11.557 -9.468 1.00 0.00 N ATOM 0 H GLN A 16 9.097 -9.315 -5.619 1.00 58.22 H new ATOM 0 HA GLN A 16 11.373 -10.720 -4.390 1.00 65.25 H new ATOM 0 HB2 GLN A 16 11.872 -11.293 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.218 -11.692 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.315 -9.957 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.711 -8.920 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.843 -12.106 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.915 -11.887 -10.359 1.00 0.00 H new ATOM 275 N GLN A 17 13.259 -9.338 -5.850 1.00 68.08 N ATOM 276 CA GLN A 17 14.376 -8.374 -6.035 1.00 67.26 C ATOM 277 C GLN A 17 13.919 -7.115 -6.788 1.00 67.89 C ATOM 278 O GLN A 17 13.124 -7.167 -7.705 1.00 0.00 O ATOM 279 CB GLN A 17 15.478 -9.068 -6.831 1.00 0.00 C ATOM 280 CG GLN A 17 16.670 -8.126 -7.009 1.00 0.00 C ATOM 281 CD GLN A 17 17.903 -8.939 -7.414 1.00 0.00 C ATOM 282 OE1 GLN A 17 18.554 -8.631 -8.393 1.00 0.00 O ATOM 283 NE2 GLN A 17 18.253 -9.975 -6.694 1.00 0.00 N ATOM 0 H GLN A 17 13.476 -10.295 -6.130 1.00 68.08 H new ATOM 0 HA GLN A 17 14.737 -8.061 -5.055 1.00 67.26 H new ATOM 0 HB2 GLN A 17 15.795 -9.974 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.097 -9.373 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.447 -7.379 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.864 -7.588 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.706 -10.233 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 17 19.072 -10.524 -6.955 1.00 0.00 H new ATOM 292 N HIS A 18 14.455 -5.989 -6.399 1.00 54.76 N ATOM 293 CA HIS A 18 14.122 -4.689 -7.062 1.00 52.80 C ATOM 294 C HIS A 18 12.611 -4.516 -7.245 1.00 48.80 C ATOM 295 O HIS A 18 12.122 -4.332 -8.340 1.00 0.00 O ATOM 296 CB HIS A 18 14.818 -4.612 -8.418 1.00 0.00 C ATOM 297 CG HIS A 18 16.235 -4.140 -8.219 1.00 0.00 C ATOM 298 ND1 HIS A 18 17.005 -4.550 -7.140 1.00 0.00 N ATOM 299 CD2 HIS A 18 17.030 -3.288 -8.943 1.00 0.00 C ATOM 300 CE1 HIS A 18 18.205 -3.947 -7.246 1.00 0.00 C ATOM 301 NE2 HIS A 18 18.272 -3.167 -8.328 1.00 0.00 N ATOM 0 H HIS A 18 15.124 -5.912 -5.633 1.00 54.76 H new ATOM 0 HA HIS A 18 14.474 -3.884 -6.417 1.00 52.80 H new ATOM 0 HB2 HIS A 18 14.812 -5.590 -8.900 1.00 0.00 H new ATOM 0 HB3 HIS A 18 14.283 -3.928 -9.077 1.00 0.00 H new ATOM 0 HD2 HIS A 18 16.736 -2.787 -9.853 1.00 0.00 H new ATOM 0 HE1 HIS A 18 19.014 -4.078 -6.542 1.00 0.00 H new ATOM 0 HE2 HIS A 18 19.064 -2.603 -8.637 1.00 0.00 H new ATOM 309 N GLN A 19 11.882 -4.538 -6.176 1.00 40.30 N ATOM 310 CA GLN A 19 10.416 -4.338 -6.258 1.00 37.16 C ATOM 311 C GLN A 19 10.057 -3.110 -5.435 1.00 25.87 C ATOM 312 O GLN A 19 10.916 -2.439 -4.903 1.00 0.00 O ATOM 313 CB GLN A 19 9.699 -5.558 -5.700 1.00 0.00 C ATOM 314 CG GLN A 19 9.641 -6.634 -6.776 1.00 0.00 C ATOM 315 CD GLN A 19 8.397 -6.419 -7.646 1.00 0.00 C ATOM 316 OE1 GLN A 19 8.127 -5.315 -8.076 1.00 0.00 O ATOM 317 NE2 GLN A 19 7.622 -7.432 -7.922 1.00 0.00 N ATOM 0 H GLN A 19 12.243 -4.688 -5.234 1.00 40.30 H new ATOM 0 HA GLN A 19 10.112 -4.198 -7.295 1.00 37.16 H new ATOM 0 HB2 GLN A 19 10.223 -5.933 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.692 -5.290 -5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.540 -6.597 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.610 -7.622 -6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.847 -8.359 -7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.791 -7.296 -8.498 1.00 0.00 H new ATOM 326 N SER A 20 8.806 -2.801 -5.325 1.00 20.38 N ATOM 327 CA SER A 20 8.416 -1.605 -4.529 1.00 13.64 C ATOM 328 C SER A 20 6.986 -1.754 -4.010 1.00 11.18 C ATOM 329 O SER A 20 6.151 -2.396 -4.614 1.00 0.00 O ATOM 330 CB SER A 20 8.519 -0.354 -5.404 1.00 0.00 C ATOM 331 OG SER A 20 8.035 -0.650 -6.708 1.00 0.00 O ATOM 0 H SER A 20 8.035 -3.318 -5.747 1.00 20.38 H new ATOM 0 HA SER A 20 9.089 -1.512 -3.677 1.00 13.64 H new ATOM 0 HB2 SER A 20 7.941 0.459 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.554 -0.017 -5.456 1.00 0.00 H new ATOM 0 HG SER A 20 8.099 0.150 -7.270 1.00 0.00 H new ATOM 337 N TRP A 21 6.706 -1.149 -2.890 1.00 7.01 N ATOM 338 CA TRP A 21 5.348 -1.222 -2.307 1.00 6.78 C ATOM 339 C TRP A 21 5.153 -0.016 -1.397 1.00 4.36 C ATOM 340 O TRP A 21 6.043 0.799 -1.236 1.00 0.00 O ATOM 341 CB TRP A 21 5.188 -2.515 -1.499 1.00 0.00 C ATOM 342 CG TRP A 21 6.214 -2.569 -0.406 1.00 0.00 C ATOM 343 CD1 TRP A 21 5.976 -2.259 0.889 1.00 0.00 C ATOM 344 CD2 TRP A 21 7.623 -2.950 -0.483 1.00 0.00 C ATOM 345 NE1 TRP A 21 7.143 -2.425 1.612 1.00 0.00 N ATOM 346 CE2 TRP A 21 8.185 -2.849 0.809 1.00 0.00 C ATOM 347 CE3 TRP A 21 8.462 -3.370 -1.537 1.00 0.00 C ATOM 348 CZ2 TRP A 21 9.525 -3.149 1.049 1.00 0.00 C ATOM 349 CZ3 TRP A 21 9.808 -3.669 -1.294 1.00 0.00 C ATOM 350 CH2 TRP A 21 10.338 -3.558 -0.005 1.00 0.00 C ATOM 0 H TRP A 21 7.374 -0.600 -2.350 1.00 7.01 H new ATOM 0 HA TRP A 21 4.602 -1.219 -3.102 1.00 6.78 H new ATOM 0 HB2 TRP A 21 4.187 -2.564 -1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 21 5.298 -3.379 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.028 -1.935 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 21 7.225 -2.255 2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.064 -3.461 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.930 -3.065 2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.442 -3.988 -2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.378 -3.789 0.173 1.00 0.00 H new ATOM 361 N LEU A 22 4.004 0.121 -0.812 1.00 4.87 N ATOM 362 CA LEU A 22 3.763 1.288 0.066 1.00 4.15 C ATOM 363 C LEU A 22 3.589 0.841 1.521 1.00 4.97 C ATOM 364 O LEU A 22 3.032 -0.200 1.806 1.00 0.00 O ATOM 365 CB LEU A 22 2.500 1.998 -0.399 1.00 0.00 C ATOM 366 CG LEU A 22 2.792 2.763 -1.688 1.00 0.00 C ATOM 367 CD1 LEU A 22 1.559 2.735 -2.588 1.00 0.00 C ATOM 368 CD2 LEU A 22 3.143 4.213 -1.353 1.00 0.00 C ATOM 0 H LEU A 22 3.220 -0.525 -0.904 1.00 4.87 H new ATOM 0 HA LEU A 22 4.619 1.961 0.010 1.00 4.15 H new ATOM 0 HB2 LEU A 22 1.703 1.273 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.150 2.684 0.373 1.00 0.00 H new ATOM 0 HG LEU A 22 3.630 2.295 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.768 3.281 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.307 1.702 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.721 3.202 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.351 4.759 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.305 4.680 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.023 4.235 -0.711 1.00 0.00 H new ATOM 380 N ARG A 23 4.049 1.645 2.437 1.00 4.94 N ATOM 381 CA ARG A 23 3.915 1.318 3.876 1.00 6.45 C ATOM 382 C ARG A 23 3.323 2.549 4.585 1.00 7.80 C ATOM 383 O ARG A 23 4.057 3.371 5.101 1.00 0.00 O ATOM 384 CB ARG A 23 5.299 1.004 4.462 1.00 0.00 C ATOM 385 CG ARG A 23 5.144 0.093 5.680 1.00 0.00 C ATOM 386 CD ARG A 23 6.506 -0.503 6.053 1.00 0.00 C ATOM 387 NE ARG A 23 6.849 -0.130 7.455 1.00 0.00 N ATOM 388 CZ ARG A 23 7.779 -0.788 8.094 1.00 0.00 C ATOM 389 NH1 ARG A 23 7.498 -1.935 8.651 1.00 0.00 N ATOM 390 NH2 ARG A 23 8.986 -0.301 8.176 1.00 0.00 N ATOM 0 H ARG A 23 4.519 2.529 2.242 1.00 4.94 H new ATOM 0 HA ARG A 23 3.270 0.450 4.013 1.00 6.45 H new ATOM 0 HB2 ARG A 23 5.922 0.520 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.803 1.928 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.741 0.658 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.434 -0.705 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.480 -1.588 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.273 -0.137 5.371 1.00 0.00 H new ATOM 0 HE ARG A 23 6.359 0.637 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.554 -2.316 8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.223 -2.451 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.205 0.595 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.711 -0.816 8.675 1.00 0.00 H new ATOM 404 N PRO A 24 2.010 2.655 4.563 1.00 8.87 N ATOM 405 CA PRO A 24 1.315 3.792 5.170 1.00 10.82 C ATOM 406 C PRO A 24 1.758 3.993 6.622 1.00 14.61 C ATOM 407 O PRO A 24 2.037 3.054 7.339 1.00 0.00 O ATOM 408 CB PRO A 24 -0.179 3.435 5.089 1.00 0.00 C ATOM 409 CG PRO A 24 -0.293 2.104 4.281 1.00 0.00 C ATOM 410 CD PRO A 24 1.139 1.652 3.942 1.00 0.00 C ATOM 0 HA PRO A 24 1.536 4.728 4.657 1.00 10.82 H new ATOM 0 HB2 PRO A 24 -0.601 3.316 6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.739 4.232 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.808 1.342 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.874 2.255 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.342 0.656 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.294 1.607 2.864 1.00 0.00 H new ATOM 418 N VAL A 25 1.827 5.226 7.046 1.00 18.83 N ATOM 419 CA VAL A 25 2.254 5.532 8.438 1.00 25.59 C ATOM 420 C VAL A 25 1.061 5.370 9.384 1.00 32.03 C ATOM 421 O VAL A 25 0.025 4.854 9.010 1.00 0.00 O ATOM 422 CB VAL A 25 2.796 6.965 8.472 1.00 0.00 C ATOM 423 CG1 VAL A 25 1.661 7.952 8.692 1.00 0.00 C ATOM 424 CG2 VAL A 25 3.835 7.115 9.584 1.00 0.00 C ATOM 0 H VAL A 25 1.602 6.043 6.478 1.00 18.83 H new ATOM 0 HA VAL A 25 3.037 4.847 8.763 1.00 25.59 H new ATOM 0 HB VAL A 25 3.271 7.177 7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.060 8.966 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.939 7.864 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.169 7.735 9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.211 8.138 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.375 6.887 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.661 6.427 9.405 1.00 0.00 H new ATOM 434 N LEU A 26 1.202 5.782 10.607 1.00 41.38 N ATOM 435 CA LEU A 26 0.069 5.619 11.576 1.00 50.89 C ATOM 436 C LEU A 26 -0.722 6.939 11.767 1.00 50.76 C ATOM 437 O LEU A 26 -1.686 7.190 11.073 1.00 0.00 O ATOM 438 CB LEU A 26 0.581 5.102 12.948 1.00 0.00 C ATOM 439 CG LEU A 26 1.988 5.621 13.241 1.00 0.00 C ATOM 440 CD1 LEU A 26 2.199 5.691 14.756 1.00 0.00 C ATOM 441 CD2 LEU A 26 3.020 4.668 12.628 1.00 0.00 C ATOM 0 H LEU A 26 2.041 6.222 10.984 1.00 41.38 H new ATOM 0 HA LEU A 26 -0.609 4.879 11.151 1.00 50.89 H new ATOM 0 HB2 LEU A 26 -0.099 5.421 13.737 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.584 4.012 12.951 1.00 0.00 H new ATOM 0 HG LEU A 26 2.107 6.615 12.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.202 6.061 14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.464 6.365 15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.081 4.696 15.186 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.024 5.037 12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.901 3.675 13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.870 4.614 11.550 1.00 0.00 H new ATOM 453 N ARG A 27 -0.357 7.755 12.731 1.00 50.41 N ATOM 454 CA ARG A 27 -1.137 9.013 12.990 1.00 52.13 C ATOM 455 C ARG A 27 -0.617 10.187 12.181 1.00 46.93 C ATOM 456 O ARG A 27 -1.357 11.102 11.879 1.00 0.00 O ATOM 457 CB ARG A 27 -1.024 9.359 14.462 1.00 0.00 C ATOM 458 CG ARG A 27 -1.884 8.403 15.276 1.00 0.00 C ATOM 459 CD ARG A 27 -2.513 9.152 16.452 1.00 0.00 C ATOM 460 NE ARG A 27 -3.068 8.175 17.424 1.00 0.00 N ATOM 461 CZ ARG A 27 -3.336 8.550 18.643 1.00 0.00 C ATOM 462 NH1 ARG A 27 -4.100 9.589 18.857 1.00 0.00 N ATOM 463 NH2 ARG A 27 -2.837 7.890 19.650 1.00 0.00 N ATOM 0 H ARG A 27 0.442 7.606 13.347 1.00 50.41 H new ATOM 0 HA ARG A 27 -2.171 8.831 12.697 1.00 52.13 H new ATOM 0 HB2 ARG A 27 0.016 9.293 14.783 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.345 10.387 14.630 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.664 7.974 14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.278 7.575 15.642 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.766 9.780 16.938 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.302 9.814 16.095 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.239 7.211 17.137 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.488 10.108 18.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.308 9.881 19.812 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.238 7.082 19.483 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.046 8.182 20.605 1.00 0.00 H new ATOM 477 N SER A 28 0.641 10.184 11.867 1.00 43.06 N ATOM 478 CA SER A 28 1.251 11.321 11.091 1.00 39.55 C ATOM 479 C SER A 28 0.304 11.799 9.965 1.00 36.09 C ATOM 480 O SER A 28 -0.399 12.773 10.129 1.00 0.00 O ATOM 481 CB SER A 28 2.572 10.853 10.482 1.00 0.00 C ATOM 482 OG SER A 28 3.653 11.331 11.275 1.00 0.00 O ATOM 0 H SER A 28 1.292 9.438 12.112 1.00 43.06 H new ATOM 0 HA SER A 28 1.421 12.157 11.770 1.00 39.55 H new ATOM 0 HB2 SER A 28 2.597 9.764 10.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.665 11.221 9.460 1.00 0.00 H new ATOM 0 HG SER A 28 4.501 11.030 10.887 1.00 0.00 H new ATOM 488 N ASN A 29 0.292 11.088 8.845 1.00 37.67 N ATOM 489 CA ASN A 29 -0.596 11.436 7.648 1.00 36.39 C ATOM 490 C ASN A 29 0.103 11.012 6.344 1.00 25.08 C ATOM 491 O ASN A 29 -0.520 10.907 5.306 1.00 0.00 O ATOM 492 CB ASN A 29 -0.872 12.951 7.542 1.00 0.00 C ATOM 493 CG ASN A 29 0.429 13.739 7.713 1.00 0.00 C ATOM 494 OD1 ASN A 29 1.401 13.490 7.030 1.00 0.00 O ATOM 495 ND2 ASN A 29 0.484 14.690 8.603 1.00 0.00 N ATOM 0 H ASN A 29 0.871 10.261 8.701 1.00 37.67 H new ATOM 0 HA ASN A 29 -1.539 10.909 7.795 1.00 36.39 H new ATOM 0 HB2 ASN A 29 -1.320 13.180 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.590 13.251 8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.344 15.225 8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.333 14.899 9.177 1.00 0.00 H new ATOM 502 N ARG A 30 1.398 10.804 6.375 1.00 21.88 N ATOM 503 CA ARG A 30 2.120 10.435 5.133 1.00 14.68 C ATOM 504 C ARG A 30 2.322 8.929 5.043 1.00 12.43 C ATOM 505 O ARG A 30 1.870 8.167 5.873 1.00 0.00 O ATOM 506 CB ARG A 30 3.488 11.106 5.150 1.00 0.00 C ATOM 507 CG ARG A 30 4.398 10.377 6.148 1.00 0.00 C ATOM 508 CD ARG A 30 5.199 11.387 6.961 1.00 0.00 C ATOM 509 NE ARG A 30 6.131 10.636 7.856 1.00 0.00 N ATOM 510 CZ ARG A 30 7.025 11.265 8.566 1.00 0.00 C ATOM 511 NH1 ARG A 30 7.610 12.333 8.097 1.00 0.00 N ATOM 512 NH2 ARG A 30 7.334 10.823 9.754 1.00 0.00 N ATOM 0 H ARG A 30 1.979 10.876 7.210 1.00 21.88 H new ATOM 0 HA ARG A 30 1.530 10.761 4.276 1.00 14.68 H new ATOM 0 HB2 ARG A 30 3.930 11.083 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.388 12.155 5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.798 9.757 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.075 9.709 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.758 12.049 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.531 12.016 7.550 1.00 0.00 H new ATOM 0 HE ARG A 30 6.067 9.620 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.369 12.681 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.309 12.820 8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.877 9.989 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.033 11.311 10.314 1.00 0.00 H new ATOM 526 N VAL A 31 3.029 8.515 4.041 1.00 8.92 N ATOM 527 CA VAL A 31 3.323 7.066 3.857 1.00 7.78 C ATOM 528 C VAL A 31 4.754 6.942 3.359 1.00 6.55 C ATOM 529 O VAL A 31 5.373 7.920 3.028 1.00 0.00 O ATOM 530 CB VAL A 31 2.373 6.463 2.826 1.00 0.00 C ATOM 531 CG1 VAL A 31 0.952 6.965 3.086 1.00 0.00 C ATOM 532 CG2 VAL A 31 2.813 6.878 1.419 1.00 0.00 C ATOM 0 H VAL A 31 3.425 9.125 3.326 1.00 8.92 H new ATOM 0 HA VAL A 31 3.193 6.535 4.800 1.00 7.78 H new ATOM 0 HB VAL A 31 2.394 5.376 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.274 6.534 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.638 6.667 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.930 8.052 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.134 6.447 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.794 7.965 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.825 6.518 1.233 1.00 0.00 H new ATOM 542 N GLU A 32 5.290 5.763 3.302 1.00 6.25 N ATOM 543 CA GLU A 32 6.694 5.630 2.818 1.00 6.59 C ATOM 544 C GLU A 32 6.736 4.795 1.540 1.00 4.39 C ATOM 545 O GLU A 32 5.972 3.875 1.359 1.00 0.00 O ATOM 546 CB GLU A 32 7.545 4.956 3.888 1.00 0.00 C ATOM 547 CG GLU A 32 6.938 5.228 5.258 1.00 0.00 C ATOM 548 CD GLU A 32 7.973 4.939 6.346 1.00 0.00 C ATOM 549 OE1 GLU A 32 8.381 3.796 6.456 1.00 0.00 O ATOM 550 OE2 GLU A 32 8.337 5.867 7.049 1.00 0.00 O ATOM 0 H GLU A 32 4.829 4.892 3.565 1.00 6.25 H new ATOM 0 HA GLU A 32 7.087 6.625 2.608 1.00 6.59 H new ATOM 0 HB2 GLU A 32 7.595 3.882 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.567 5.334 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.609 6.265 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.056 4.605 5.406 1.00 0.00 H new ATOM 557 N TYR A 33 7.640 5.103 0.665 1.00 5.35 N ATOM 558 CA TYR A 33 7.759 4.315 -0.605 1.00 4.76 C ATOM 559 C TYR A 33 8.900 3.322 -0.432 1.00 5.27 C ATOM 560 O TYR A 33 10.048 3.659 -0.604 1.00 0.00 O ATOM 561 CB TYR A 33 8.068 5.256 -1.769 1.00 0.00 C ATOM 562 CG TYR A 33 8.464 4.444 -2.977 1.00 0.00 C ATOM 563 CD1 TYR A 33 7.504 3.680 -3.653 1.00 0.00 C ATOM 564 CD2 TYR A 33 9.790 4.458 -3.423 1.00 0.00 C ATOM 565 CE1 TYR A 33 7.874 2.929 -4.775 1.00 0.00 C ATOM 566 CE2 TYR A 33 10.160 3.708 -4.543 1.00 0.00 C ATOM 567 CZ TYR A 33 9.203 2.943 -5.220 1.00 0.00 C ATOM 568 OH TYR A 33 9.569 2.206 -6.325 1.00 0.00 O ATOM 0 H TYR A 33 8.309 5.867 0.765 1.00 5.35 H new ATOM 0 HA TYR A 33 6.827 3.792 -0.818 1.00 4.76 H new ATOM 0 HB2 TYR A 33 7.195 5.868 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.873 5.938 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.480 3.670 -3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.528 5.049 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.136 2.339 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.184 3.719 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 33 10.526 2.329 -6.498 1.00 0.00 H new ATOM 578 N CYS A 34 8.596 2.105 -0.060 1.00 3.84 N ATOM 579 CA CYS A 34 9.683 1.106 0.178 1.00 4.42 C ATOM 580 C CYS A 34 10.051 0.359 -1.100 1.00 5.24 C ATOM 581 O CYS A 34 9.364 -0.537 -1.525 1.00 0.00 O ATOM 582 CB CYS A 34 9.205 0.096 1.212 1.00 0.00 C ATOM 583 SG CYS A 34 9.117 0.880 2.838 1.00 0.00 S ATOM 0 H CYS A 34 7.648 1.760 0.089 1.00 3.84 H new ATOM 0 HA CYS A 34 10.565 1.641 0.529 1.00 4.42 H new ATOM 0 HB2 CYS A 34 8.225 -0.290 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.886 -0.755 1.245 1.00 0.00 H new ATOM 588 N TRP A 35 11.155 0.704 -1.695 1.00 8.11 N ATOM 589 CA TRP A 35 11.588 0.001 -2.922 1.00 10.80 C ATOM 590 C TRP A 35 12.775 -0.922 -2.568 1.00 11.54 C ATOM 591 O TRP A 35 13.861 -0.471 -2.266 1.00 0.00 O ATOM 592 CB TRP A 35 11.976 1.051 -3.983 1.00 0.00 C ATOM 593 CG TRP A 35 13.265 0.691 -4.629 1.00 0.00 C ATOM 594 CD1 TRP A 35 13.473 -0.399 -5.392 1.00 0.00 C ATOM 595 CD2 TRP A 35 14.523 1.412 -4.584 1.00 0.00 C ATOM 596 NE1 TRP A 35 14.793 -0.401 -5.809 1.00 0.00 N ATOM 597 CE2 TRP A 35 15.478 0.702 -5.339 1.00 0.00 C ATOM 598 CE3 TRP A 35 14.921 2.605 -3.961 1.00 0.00 C ATOM 599 CZ2 TRP A 35 16.789 1.157 -5.473 1.00 0.00 C ATOM 600 CZ3 TRP A 35 16.240 3.072 -4.093 1.00 0.00 C ATOM 601 CH2 TRP A 35 17.173 2.347 -4.849 1.00 0.00 C ATOM 0 H TRP A 35 11.777 1.448 -1.379 1.00 8.11 H new ATOM 0 HA TRP A 35 10.787 -0.615 -3.331 1.00 10.80 H new ATOM 0 HB2 TRP A 35 11.192 1.120 -4.737 1.00 0.00 H new ATOM 0 HB3 TRP A 35 12.058 2.033 -3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 35 12.733 -1.147 -5.638 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.208 -1.128 -6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 35 14.209 3.168 -3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 17.503 0.594 -6.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 16.536 3.992 -3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.186 2.708 -4.949 1.00 0.00 H new ATOM 612 N CYS A 36 12.544 -2.222 -2.580 1.00 10.46 N ATOM 613 CA CYS A 36 13.622 -3.212 -2.223 1.00 11.17 C ATOM 614 C CYS A 36 14.944 -2.863 -2.894 1.00 17.63 C ATOM 615 O CYS A 36 14.987 -2.427 -4.028 1.00 0.00 O ATOM 616 CB CYS A 36 13.214 -4.605 -2.695 1.00 0.00 C ATOM 617 SG CYS A 36 14.209 -5.845 -1.847 1.00 0.00 S ATOM 0 H CYS A 36 11.647 -2.641 -2.824 1.00 10.46 H new ATOM 0 HA CYS A 36 13.748 -3.183 -1.141 1.00 11.17 H new ATOM 0 HB2 CYS A 36 12.156 -4.773 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.351 -4.689 -3.773 1.00 0.00 H new ATOM 622 N ASN A 37 16.028 -3.079 -2.203 1.00 21.74 N ATOM 623 CA ASN A 37 17.353 -2.797 -2.789 1.00 32.10 C ATOM 624 C ASN A 37 18.373 -3.762 -2.183 1.00 36.56 C ATOM 625 O ASN A 37 19.180 -3.384 -1.364 1.00 0.00 O ATOM 626 CB ASN A 37 17.758 -1.356 -2.478 1.00 0.00 C ATOM 627 CG ASN A 37 18.989 -0.985 -3.308 1.00 0.00 C ATOM 628 OD1 ASN A 37 18.993 -1.139 -4.513 1.00 0.00 O ATOM 629 ND2 ASN A 37 20.043 -0.501 -2.711 1.00 0.00 N ATOM 0 H ASN A 37 16.046 -3.442 -1.250 1.00 21.74 H new ATOM 0 HA ASN A 37 17.316 -2.928 -3.870 1.00 32.10 H new ATOM 0 HB2 ASN A 37 16.935 -0.678 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.976 -1.249 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.869 -0.253 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.041 -0.371 -1.699 1.00 0.00 H new ATOM 636 N SER A 38 18.324 -5.019 -2.572 1.00 41.11 N ATOM 637 CA SER A 38 19.282 -6.018 -2.015 1.00 47.28 C ATOM 638 C SER A 38 18.958 -6.261 -0.544 1.00 39.71 C ATOM 639 O SER A 38 19.829 -6.541 0.257 1.00 0.00 O ATOM 640 CB SER A 38 20.717 -5.497 -2.152 1.00 0.00 C ATOM 641 OG SER A 38 20.872 -4.863 -3.417 1.00 0.00 O ATOM 0 H SER A 38 17.660 -5.390 -3.251 1.00 41.11 H new ATOM 0 HA SER A 38 19.192 -6.954 -2.567 1.00 47.28 H new ATOM 0 HB2 SER A 38 20.938 -4.792 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 21.425 -6.320 -2.056 1.00 0.00 H new ATOM 0 HG SER A 38 21.789 -4.528 -3.505 1.00 0.00 H new ATOM 647 N GLY A 39 17.708 -6.160 -0.182 1.00 31.84 N ATOM 648 CA GLY A 39 17.318 -6.388 1.238 1.00 29.64 C ATOM 649 C GLY A 39 17.548 -5.113 2.063 1.00 26.81 C ATOM 650 O GLY A 39 17.603 -5.156 3.277 1.00 0.00 O ATOM 0 H GLY A 39 16.938 -5.929 -0.810 1.00 31.84 H new ATOM 0 HA2 GLY A 39 16.269 -6.681 1.292 1.00 29.64 H new ATOM 0 HA3 GLY A 39 17.900 -7.210 1.655 1.00 29.64 H new ATOM 654 N ARG A 40 17.685 -3.977 1.422 1.00 27.58 N ATOM 655 CA ARG A 40 17.912 -2.721 2.193 1.00 33.15 C ATOM 656 C ARG A 40 16.581 -2.001 2.421 1.00 25.26 C ATOM 657 O ARG A 40 16.426 -1.257 3.369 1.00 0.00 O ATOM 658 CB ARG A 40 18.843 -1.799 1.405 1.00 0.00 C ATOM 659 CG ARG A 40 20.129 -2.542 1.056 1.00 0.00 C ATOM 660 CD ARG A 40 21.187 -2.252 2.120 1.00 0.00 C ATOM 661 NE ARG A 40 22.544 -2.395 1.529 1.00 0.00 N ATOM 662 CZ ARG A 40 23.578 -1.901 2.149 1.00 0.00 C ATOM 663 NH1 ARG A 40 23.920 -2.365 3.322 1.00 0.00 N ATOM 664 NH2 ARG A 40 24.269 -0.941 1.600 1.00 0.00 N ATOM 0 H ARG A 40 17.649 -3.868 0.408 1.00 27.58 H new ATOM 0 HA ARG A 40 18.361 -2.972 3.154 1.00 33.15 H new ATOM 0 HB2 ARG A 40 18.349 -1.460 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 40 19.073 -0.910 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.939 -3.614 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.488 -2.229 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 40 21.055 -1.244 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 21.071 -2.938 2.959 1.00 0.00 H new ATOM 0 HE ARG A 40 22.665 -2.879 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 40 23.377 -3.114 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 40 24.730 -1.978 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 40 24.000 -0.577 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.079 -0.554 2.085 1.00 0.00 H new ATOM 678 N ALA A 41 15.627 -2.198 1.555 1.00 17.79 N ATOM 679 CA ALA A 41 14.322 -1.503 1.722 1.00 11.62 C ATOM 680 C ALA A 41 14.568 0.001 1.722 1.00 16.34 C ATOM 681 O ALA A 41 14.904 0.595 2.728 1.00 0.00 O ATOM 682 CB ALA A 41 13.675 -1.911 3.034 1.00 0.00 C ATOM 0 H ALA A 41 15.695 -2.809 0.741 1.00 17.79 H new ATOM 0 HA ALA A 41 13.655 -1.776 0.904 1.00 11.62 H new ATOM 0 HB1 ALA A 41 12.721 -1.396 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.508 -2.988 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.331 -1.642 3.862 1.00 0.00 H new ATOM 688 N GLN A 42 14.417 0.606 0.601 1.00 15.36 N ATOM 689 CA GLN A 42 14.650 2.068 0.483 1.00 20.43 C ATOM 690 C GLN A 42 13.333 2.824 0.688 1.00 16.77 C ATOM 691 O GLN A 42 12.645 3.149 -0.258 1.00 0.00 O ATOM 692 CB GLN A 42 15.193 2.353 -0.917 1.00 0.00 C ATOM 693 CG GLN A 42 16.630 1.833 -1.027 1.00 0.00 C ATOM 694 CD GLN A 42 17.575 2.762 -0.263 1.00 0.00 C ATOM 695 OE1 GLN A 42 17.662 3.938 -0.560 1.00 0.00 O ATOM 696 NE2 GLN A 42 18.293 2.280 0.714 1.00 0.00 N ATOM 0 H GLN A 42 14.135 0.148 -0.266 1.00 15.36 H new ATOM 0 HA GLN A 42 15.362 2.396 1.240 1.00 20.43 H new ATOM 0 HB2 GLN A 42 14.564 1.873 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.167 3.424 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.693 0.822 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.927 1.777 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.219 1.293 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.928 2.890 1.229 1.00 0.00 H new ATOM 705 N CYS A 43 12.969 3.103 1.916 1.00 16.52 N ATOM 706 CA CYS A 43 11.691 3.832 2.152 1.00 14.66 C ATOM 707 C CYS A 43 11.959 5.306 2.447 1.00 18.35 C ATOM 708 O CYS A 43 13.081 5.722 2.654 1.00 0.00 O ATOM 709 CB CYS A 43 10.947 3.217 3.335 1.00 0.00 C ATOM 710 SG CYS A 43 11.021 1.418 3.232 1.00 0.00 S ATOM 0 H CYS A 43 13.497 2.859 2.754 1.00 16.52 H new ATOM 0 HA CYS A 43 11.083 3.750 1.251 1.00 14.66 H new ATOM 0 HB2 CYS A 43 11.390 3.556 4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.909 3.548 3.336 1.00 0.00 H new ATOM 715 N HIS A 44 10.920 6.093 2.473 1.00 15.40 N ATOM 716 CA HIS A 44 11.064 7.544 2.762 1.00 18.53 C ATOM 717 C HIS A 44 9.670 8.167 2.758 1.00 14.65 C ATOM 718 O HIS A 44 8.825 7.810 1.965 1.00 0.00 O ATOM 719 CB HIS A 44 11.952 8.219 1.708 1.00 0.00 C ATOM 720 CG HIS A 44 11.297 8.141 0.363 1.00 0.00 C ATOM 721 ND1 HIS A 44 11.752 7.293 -0.634 1.00 0.00 N ATOM 722 CD2 HIS A 44 10.227 8.804 -0.167 1.00 0.00 C ATOM 723 CE1 HIS A 44 10.959 7.471 -1.705 1.00 0.00 C ATOM 724 NE2 HIS A 44 10.013 8.383 -1.474 1.00 0.00 N ATOM 0 H HIS A 44 9.962 5.785 2.303 1.00 15.40 H new ATOM 0 HA HIS A 44 11.538 7.685 3.733 1.00 18.53 H new ATOM 0 HB2 HIS A 44 12.124 9.261 1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.927 7.733 1.676 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.543 6.652 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.636 9.544 0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 44 11.074 6.940 -2.639 1.00 0.00 H new ATOM 732 N SER A 45 9.414 9.059 3.659 1.00 17.55 N ATOM 733 CA SER A 45 8.055 9.675 3.746 1.00 14.60 C ATOM 734 C SER A 45 7.707 10.483 2.485 1.00 12.03 C ATOM 735 O SER A 45 8.551 11.086 1.856 1.00 0.00 O ATOM 736 CB SER A 45 8.006 10.600 4.958 1.00 0.00 C ATOM 737 OG SER A 45 8.934 11.662 4.774 1.00 0.00 O ATOM 0 H SER A 45 10.086 9.397 4.348 1.00 17.55 H new ATOM 0 HA SER A 45 7.327 8.870 3.840 1.00 14.60 H new ATOM 0 HB2 SER A 45 7.000 10.999 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.246 10.044 5.864 1.00 0.00 H new ATOM 0 HG SER A 45 8.905 12.260 5.550 1.00 0.00 H new ATOM 743 N VAL A 46 6.437 10.505 2.150 1.00 9.06 N ATOM 744 CA VAL A 46 5.942 11.272 0.968 1.00 7.28 C ATOM 745 C VAL A 46 4.459 11.637 1.230 1.00 5.95 C ATOM 746 O VAL A 46 3.727 10.827 1.769 1.00 0.00 O ATOM 747 CB VAL A 46 6.022 10.408 -0.290 1.00 0.00 C ATOM 748 CG1 VAL A 46 7.452 10.392 -0.818 1.00 0.00 C ATOM 749 CG2 VAL A 46 5.584 8.978 0.045 1.00 0.00 C ATOM 0 H VAL A 46 5.707 10.009 2.662 1.00 9.06 H new ATOM 0 HA VAL A 46 6.549 12.165 0.823 1.00 7.28 H new ATOM 0 HB VAL A 46 5.364 10.823 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.502 9.774 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.762 11.409 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.116 9.982 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.641 8.361 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.241 8.566 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.558 8.989 0.414 1.00 0.00 H new ATOM 759 N PRO A 47 4.048 12.836 0.845 1.00 6.16 N ATOM 760 CA PRO A 47 2.660 13.265 1.052 1.00 5.92 C ATOM 761 C PRO A 47 1.723 12.357 0.259 1.00 3.95 C ATOM 762 O PRO A 47 2.079 11.852 -0.788 1.00 0.00 O ATOM 763 CB PRO A 47 2.598 14.701 0.517 1.00 0.00 C ATOM 764 CG PRO A 47 4.015 15.056 -0.031 1.00 0.00 C ATOM 765 CD PRO A 47 4.915 13.822 0.194 1.00 0.00 C ATOM 0 HA PRO A 47 2.358 13.214 2.098 1.00 5.92 H new ATOM 0 HB2 PRO A 47 1.850 14.785 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.308 15.393 1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.966 15.308 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.420 15.927 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.307 13.442 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.773 14.068 0.820 1.00 0.00 H new ATOM 773 N VAL A 48 0.534 12.131 0.741 1.00 4.21 N ATOM 774 CA VAL A 48 -0.399 11.241 -0.010 1.00 3.43 C ATOM 775 C VAL A 48 -1.811 11.828 0.000 1.00 4.13 C ATOM 776 O VAL A 48 -2.092 12.801 0.672 1.00 0.00 O ATOM 777 CB VAL A 48 -0.423 9.863 0.643 1.00 0.00 C ATOM 778 CG1 VAL A 48 0.936 9.187 0.461 1.00 0.00 C ATOM 779 CG2 VAL A 48 -0.724 10.014 2.135 1.00 0.00 C ATOM 0 H VAL A 48 0.169 12.518 1.611 1.00 4.21 H new ATOM 0 HA VAL A 48 -0.054 11.157 -1.041 1.00 3.43 H new ATOM 0 HB VAL A 48 -1.195 9.252 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.918 8.202 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.150 9.080 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.711 9.796 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.742 9.030 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.049 10.625 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.694 10.495 2.264 1.00 0.00 H new ATOM 789 N LYS A 49 -2.697 11.231 -0.741 1.00 4.74 N ATOM 790 CA LYS A 49 -4.100 11.724 -0.793 1.00 7.75 C ATOM 791 C LYS A 49 -5.019 10.545 -1.066 1.00 8.38 C ATOM 792 O LYS A 49 -4.596 9.409 -1.087 1.00 0.00 O ATOM 793 CB LYS A 49 -4.244 12.760 -1.914 1.00 0.00 C ATOM 794 CG LYS A 49 -3.766 12.156 -3.236 1.00 0.00 C ATOM 795 CD LYS A 49 -3.996 13.158 -4.372 1.00 0.00 C ATOM 796 CE LYS A 49 -5.455 13.091 -4.827 1.00 0.00 C ATOM 797 NZ LYS A 49 -5.553 13.510 -6.254 1.00 0.00 N ATOM 0 H LYS A 49 -2.508 10.413 -1.320 1.00 4.74 H new ATOM 0 HA LYS A 49 -4.364 12.191 0.156 1.00 7.75 H new ATOM 0 HB2 LYS A 49 -5.284 13.074 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.661 13.650 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.708 11.902 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.304 11.230 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.755 14.166 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.333 12.934 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.837 12.077 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.071 13.739 -4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.545 13.464 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.204 14.485 -6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.978 12.874 -6.843 1.00 0.00 H new ATOM 811 N SER A 50 -6.269 10.798 -1.276 1.00 14.76 N ATOM 812 CA SER A 50 -7.217 9.677 -1.552 1.00 16.15 C ATOM 813 C SER A 50 -7.225 9.377 -3.053 1.00 15.36 C ATOM 814 O SER A 50 -7.174 10.274 -3.870 1.00 0.00 O ATOM 815 CB SER A 50 -8.632 10.063 -1.103 1.00 0.00 C ATOM 816 OG SER A 50 -8.601 11.323 -0.443 1.00 0.00 O ATOM 0 H SER A 50 -6.685 11.729 -1.271 1.00 14.76 H new ATOM 0 HA SER A 50 -6.896 8.793 -1.001 1.00 16.15 H new ATOM 0 HB2 SER A 50 -9.297 10.110 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.032 9.301 -0.434 1.00 0.00 H new ATOM 0 HG SER A 50 -9.507 11.566 -0.160 1.00 0.00 H new ATOM 822 N CYS A 51 -7.284 8.118 -3.423 1.00 13.77 N ATOM 823 CA CYS A 51 -7.293 7.764 -4.879 1.00 14.66 C ATOM 824 C CYS A 51 -8.391 8.554 -5.592 1.00 20.39 C ATOM 825 O CYS A 51 -9.240 9.160 -4.969 1.00 0.00 O ATOM 826 CB CYS A 51 -7.575 6.266 -5.050 1.00 0.00 C ATOM 827 SG CYS A 51 -6.226 5.305 -4.325 1.00 0.00 S ATOM 0 H CYS A 51 -7.326 7.325 -2.783 1.00 13.77 H new ATOM 0 HA CYS A 51 -6.320 8.007 -5.307 1.00 14.66 H new ATOM 0 HB2 CYS A 51 -8.518 6.007 -4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.679 6.024 -6.108 1.00 0.00 H new ATOM 832 N SER A 52 -8.384 8.545 -6.893 1.00 23.20 N ATOM 833 CA SER A 52 -9.429 9.284 -7.647 1.00 30.74 C ATOM 834 C SER A 52 -10.760 8.555 -7.483 1.00 34.10 C ATOM 835 O SER A 52 -11.810 9.160 -7.394 1.00 0.00 O ATOM 836 CB SER A 52 -9.043 9.328 -9.120 1.00 0.00 C ATOM 837 OG SER A 52 -9.961 10.157 -9.823 1.00 0.00 O ATOM 0 H SER A 52 -7.698 8.056 -7.468 1.00 23.20 H new ATOM 0 HA SER A 52 -9.520 10.302 -7.268 1.00 30.74 H new ATOM 0 HB2 SER A 52 -8.029 9.713 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.049 8.322 -9.539 1.00 0.00 H new ATOM 0 HG SER A 52 -9.714 10.188 -10.771 1.00 0.00 H new ATOM 843 N GLU A 53 -10.717 7.254 -7.427 1.00 30.76 N ATOM 844 CA GLU A 53 -11.965 6.467 -7.251 1.00 34.20 C ATOM 845 C GLU A 53 -11.697 5.359 -6.212 1.00 25.44 C ATOM 846 O GLU A 53 -10.617 4.800 -6.189 1.00 0.00 O ATOM 847 CB GLU A 53 -12.363 5.833 -8.590 1.00 0.00 C ATOM 848 CG GLU A 53 -13.667 6.459 -9.089 1.00 0.00 C ATOM 849 CD GLU A 53 -13.975 5.943 -10.495 1.00 0.00 C ATOM 850 OE1 GLU A 53 -13.667 4.793 -10.764 1.00 0.00 O ATOM 851 OE2 GLU A 53 -14.516 6.706 -11.279 1.00 0.00 O ATOM 0 H GLU A 53 -9.864 6.699 -7.496 1.00 30.76 H new ATOM 0 HA GLU A 53 -12.774 7.113 -6.910 1.00 34.20 H new ATOM 0 HB2 GLU A 53 -11.572 5.984 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.487 4.757 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.484 6.211 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.581 7.546 -9.100 1.00 0.00 H new ATOM 858 N PRO A 54 -12.675 5.072 -5.371 1.00 23.25 N ATOM 859 CA PRO A 54 -12.512 4.046 -4.341 1.00 17.81 C ATOM 860 C PRO A 54 -12.352 2.671 -4.988 1.00 12.45 C ATOM 861 O PRO A 54 -13.320 2.009 -5.313 1.00 0.00 O ATOM 862 CB PRO A 54 -13.799 4.100 -3.511 1.00 0.00 C ATOM 863 CG PRO A 54 -14.751 5.116 -4.204 1.00 0.00 C ATOM 864 CD PRO A 54 -13.980 5.735 -5.386 1.00 0.00 C ATOM 0 HA PRO A 54 -11.627 4.217 -3.728 1.00 17.81 H new ATOM 0 HB2 PRO A 54 -14.262 3.115 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.584 4.410 -2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.655 4.618 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.064 5.889 -3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.499 5.565 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.877 6.814 -5.269 1.00 0.00 H new ATOM 872 N ARG A 55 -11.140 2.238 -5.174 1.00 8.61 N ATOM 873 CA ARG A 55 -10.913 0.906 -5.792 1.00 8.34 C ATOM 874 C ARG A 55 -11.287 -0.189 -4.788 1.00 5.93 C ATOM 875 O ARG A 55 -11.648 -1.288 -5.160 1.00 0.00 O ATOM 876 CB ARG A 55 -9.440 0.777 -6.179 1.00 0.00 C ATOM 877 CG ARG A 55 -8.998 2.048 -6.911 1.00 0.00 C ATOM 878 CD ARG A 55 -8.081 1.675 -8.076 1.00 0.00 C ATOM 879 NE ARG A 55 -7.857 2.874 -8.933 1.00 0.00 N ATOM 880 CZ ARG A 55 -6.912 2.866 -9.832 1.00 0.00 C ATOM 881 NH1 ARG A 55 -5.702 2.504 -9.503 1.00 0.00 N ATOM 882 NH2 ARG A 55 -7.176 3.216 -11.063 1.00 0.00 N ATOM 0 H ARG A 55 -10.294 2.750 -4.924 1.00 8.61 H new ATOM 0 HA ARG A 55 -11.531 0.800 -6.684 1.00 8.34 H new ATOM 0 HB2 ARG A 55 -8.830 0.625 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.294 -0.094 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.869 2.589 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.477 2.714 -6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.129 1.301 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.528 0.873 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.443 3.701 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.496 2.227 -8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.963 2.498 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.122 3.496 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.436 3.209 -11.765 1.00 0.00 H new ATOM 896 N CYS A 56 -11.212 0.103 -3.514 1.00 4.83 N ATOM 897 CA CYS A 56 -11.575 -0.920 -2.495 1.00 5.53 C ATOM 898 C CYS A 56 -13.075 -0.816 -2.196 1.00 7.39 C ATOM 899 O CYS A 56 -13.596 0.261 -1.981 1.00 0.00 O ATOM 900 CB CYS A 56 -10.778 -0.666 -1.214 1.00 0.00 C ATOM 901 SG CYS A 56 -9.078 -0.205 -1.640 1.00 0.00 S ATOM 0 H CYS A 56 -10.916 1.004 -3.139 1.00 4.83 H new ATOM 0 HA CYS A 56 -11.344 -1.916 -2.871 1.00 5.53 H new ATOM 0 HB2 CYS A 56 -11.247 0.128 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -10.778 -1.560 -0.590 1.00 0.00 H new ATOM 906 N PHE A 57 -13.779 -1.920 -2.186 1.00 12.72 N ATOM 907 CA PHE A 57 -15.246 -1.856 -1.905 1.00 17.66 C ATOM 908 C PHE A 57 -15.556 -2.519 -0.563 1.00 21.10 C ATOM 909 O PHE A 57 -14.672 -2.930 0.158 1.00 0.00 O ATOM 910 CB PHE A 57 -16.024 -2.584 -3.007 1.00 0.00 C ATOM 911 CG PHE A 57 -15.675 -2.002 -4.352 1.00 0.00 C ATOM 912 CD1 PHE A 57 -15.611 -0.617 -4.516 1.00 0.00 C ATOM 913 CD2 PHE A 57 -15.420 -2.850 -5.437 1.00 0.00 C ATOM 914 CE1 PHE A 57 -15.291 -0.074 -5.766 1.00 0.00 C ATOM 915 CE2 PHE A 57 -15.099 -2.308 -6.688 1.00 0.00 C ATOM 916 CZ PHE A 57 -15.035 -0.919 -6.853 1.00 0.00 C ATOM 0 H PHE A 57 -13.406 -2.854 -2.358 1.00 12.72 H new ATOM 0 HA PHE A 57 -15.544 -0.808 -1.873 1.00 17.66 H new ATOM 0 HB2 PHE A 57 -15.787 -3.648 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -17.095 -2.493 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.808 0.036 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.471 -3.921 -5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.242 0.997 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.901 -2.961 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.789 -0.500 -7.817 1.00 0.00 H new ATOM 926 N ASN A 58 -16.819 -2.626 -0.242 1.00 24.02 N ATOM 927 CA ASN A 58 -17.237 -3.268 1.042 1.00 30.10 C ATOM 928 C ASN A 58 -16.705 -2.472 2.249 1.00 29.63 C ATOM 929 O ASN A 58 -16.651 -2.978 3.355 1.00 0.00 O ATOM 930 CB ASN A 58 -16.720 -4.710 1.091 1.00 0.00 C ATOM 931 CG ASN A 58 -17.307 -5.497 -0.086 1.00 0.00 C ATOM 932 OD1 ASN A 58 -17.639 -4.927 -1.107 1.00 0.00 O ATOM 933 ND2 ASN A 58 -17.450 -6.791 0.013 1.00 0.00 N ATOM 0 H ASN A 58 -17.589 -2.292 -0.822 1.00 24.02 H new ATOM 0 HA ASN A 58 -18.326 -3.274 1.091 1.00 30.10 H new ATOM 0 HB2 ASN A 58 -15.631 -4.720 1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.002 -5.178 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.840 -7.322 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.172 -7.271 0.869 1.00 0.00 H new ATOM 940 N GLY A 59 -16.336 -1.226 2.058 1.00 25.44 N ATOM 941 CA GLY A 59 -15.840 -0.411 3.215 1.00 31.16 C ATOM 942 C GLY A 59 -14.361 -0.050 3.035 1.00 25.99 C ATOM 943 O GLY A 59 -13.872 0.895 3.625 1.00 0.00 O ATOM 0 H GLY A 59 -16.356 -0.742 1.160 1.00 25.44 H new ATOM 0 HA2 GLY A 59 -16.433 0.500 3.304 1.00 31.16 H new ATOM 0 HA3 GLY A 59 -15.972 -0.969 4.142 1.00 31.16 H new ATOM 947 N GLY A 60 -13.642 -0.788 2.243 1.00 17.89 N ATOM 948 CA GLY A 60 -12.198 -0.475 2.050 1.00 15.41 C ATOM 949 C GLY A 60 -12.035 0.959 1.546 1.00 14.25 C ATOM 950 O GLY A 60 -12.976 1.582 1.099 1.00 0.00 O ATOM 0 H GLY A 60 -13.988 -1.593 1.721 1.00 17.89 H new ATOM 0 HA2 GLY A 60 -11.661 -0.602 2.990 1.00 15.41 H new ATOM 0 HA3 GLY A 60 -11.759 -1.172 1.336 1.00 15.41 H new ATOM 954 N THR A 61 -10.841 1.481 1.612 1.00 14.56 N ATOM 955 CA THR A 61 -10.602 2.884 1.128 1.00 16.04 C ATOM 956 C THR A 61 -9.278 2.940 0.353 1.00 11.03 C ATOM 957 O THR A 61 -8.259 2.474 0.813 1.00 0.00 O ATOM 958 CB THR A 61 -10.530 3.841 2.317 1.00 0.00 C ATOM 959 OG1 THR A 61 -10.796 3.130 3.519 1.00 0.00 O ATOM 960 CG2 THR A 61 -11.562 4.959 2.144 1.00 0.00 C ATOM 0 H THR A 61 -10.018 1.003 1.978 1.00 14.56 H new ATOM 0 HA THR A 61 -11.424 3.180 0.476 1.00 16.04 H new ATOM 0 HB THR A 61 -9.532 4.277 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.748 3.745 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.507 5.639 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.353 5.508 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.561 4.527 2.089 1.00 0.00 H new ATOM 968 N CYS A 62 -9.296 3.498 -0.825 1.00 10.38 N ATOM 969 CA CYS A 62 -8.055 3.573 -1.644 1.00 7.41 C ATOM 970 C CYS A 62 -7.257 4.840 -1.325 1.00 8.18 C ATOM 971 O CYS A 62 -7.806 5.891 -1.064 1.00 0.00 O ATOM 972 CB CYS A 62 -8.447 3.604 -3.114 1.00 0.00 C ATOM 973 SG CYS A 62 -6.967 3.425 -4.148 1.00 0.00 S ATOM 0 H CYS A 62 -10.123 3.908 -1.258 1.00 10.38 H new ATOM 0 HA CYS A 62 -7.435 2.705 -1.418 1.00 7.41 H new ATOM 0 HB2 CYS A 62 -9.152 2.801 -3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.952 4.542 -3.345 1.00 0.00 H new ATOM 978 N GLN A 63 -5.957 4.739 -1.378 1.00 5.65 N ATOM 979 CA GLN A 63 -5.091 5.919 -1.118 1.00 5.90 C ATOM 980 C GLN A 63 -3.977 5.931 -2.177 1.00 4.07 C ATOM 981 O GLN A 63 -3.353 4.930 -2.427 1.00 0.00 O ATOM 982 CB GLN A 63 -4.478 5.797 0.270 1.00 0.00 C ATOM 983 CG GLN A 63 -5.245 6.687 1.253 1.00 0.00 C ATOM 984 CD GLN A 63 -5.390 5.957 2.589 1.00 0.00 C ATOM 985 OE1 GLN A 63 -6.489 5.748 3.066 1.00 0.00 O ATOM 986 NE2 GLN A 63 -4.320 5.558 3.217 1.00 0.00 N ATOM 0 H GLN A 63 -5.454 3.878 -1.593 1.00 5.65 H new ATOM 0 HA GLN A 63 -5.671 6.841 -1.169 1.00 5.90 H new ATOM 0 HB2 GLN A 63 -4.510 4.759 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.429 6.090 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.717 7.630 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.228 6.930 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.398 5.733 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.404 5.070 4.109 1.00 0.00 H new ATOM 995 N GLN A 64 -3.739 7.043 -2.816 1.00 6.00 N ATOM 996 CA GLN A 64 -2.677 7.080 -3.874 1.00 4.94 C ATOM 997 C GLN A 64 -1.624 8.144 -3.529 1.00 3.74 C ATOM 998 O GLN A 64 -1.939 9.192 -3.015 1.00 0.00 O ATOM 999 CB GLN A 64 -3.320 7.422 -5.223 1.00 0.00 C ATOM 1000 CG GLN A 64 -2.516 6.779 -6.356 1.00 0.00 C ATOM 1001 CD GLN A 64 -3.442 6.486 -7.537 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -3.235 6.987 -8.626 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -4.462 5.691 -7.369 1.00 0.00 N ATOM 0 H GLN A 64 -4.227 7.924 -2.657 1.00 6.00 H new ATOM 0 HA GLN A 64 -2.193 6.105 -3.929 1.00 4.94 H new ATOM 0 HB2 GLN A 64 -4.350 7.065 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.354 8.503 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.711 7.444 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.050 5.857 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.636 5.271 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.086 5.490 -8.151 1.00 0.00 H new ATOM 1012 N ALA A 65 -0.374 7.872 -3.811 1.00 2.43 N ATOM 1013 CA ALA A 65 0.703 8.863 -3.497 1.00 2.49 C ATOM 1014 C ALA A 65 0.533 10.128 -4.349 1.00 4.03 C ATOM 1015 O ALA A 65 -0.093 10.116 -5.390 1.00 0.00 O ATOM 1016 CB ALA A 65 2.067 8.242 -3.792 1.00 0.00 C ATOM 0 H ALA A 65 -0.052 7.007 -4.245 1.00 2.43 H new ATOM 0 HA ALA A 65 0.634 9.132 -2.443 1.00 2.49 H new ATOM 0 HB1 ALA A 65 2.852 8.963 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.202 7.352 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.122 7.968 -4.845 1.00 0.00 H new ATOM 1022 N LEU A 66 1.073 11.221 -3.882 1.00 3.82 N ATOM 1023 CA LEU A 66 0.957 12.511 -4.593 1.00 6.13 C ATOM 1024 C LEU A 66 1.880 12.614 -5.802 1.00 9.62 C ATOM 1025 O LEU A 66 1.595 13.332 -6.737 1.00 0.00 O ATOM 1026 CB LEU A 66 1.374 13.600 -3.626 1.00 0.00 C ATOM 1027 CG LEU A 66 0.520 14.797 -3.856 1.00 0.00 C ATOM 1028 CD1 LEU A 66 0.656 15.763 -2.678 1.00 0.00 C ATOM 1029 CD2 LEU A 66 0.944 15.496 -5.149 1.00 0.00 C ATOM 0 H LEU A 66 1.603 11.267 -3.012 1.00 3.82 H new ATOM 0 HA LEU A 66 -0.071 12.604 -4.943 1.00 6.13 H new ATOM 0 HB2 LEU A 66 1.269 13.253 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.424 13.852 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.520 14.483 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.029 16.638 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.340 15.265 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.696 16.075 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.315 16.371 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.986 15.807 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.833 14.808 -5.987 1.00 0.00 H new ATOM 1041 N TYR A 67 3.008 11.993 -5.766 1.00 9.52 N ATOM 1042 CA TYR A 67 3.966 12.168 -6.890 1.00 15.46 C ATOM 1043 C TYR A 67 4.075 10.936 -7.778 1.00 13.15 C ATOM 1044 O TYR A 67 4.272 11.050 -8.971 1.00 0.00 O ATOM 1045 CB TYR A 67 5.306 12.488 -6.288 1.00 0.00 C ATOM 1046 CG TYR A 67 5.160 13.735 -5.440 1.00 0.00 C ATOM 1047 CD1 TYR A 67 4.746 14.940 -6.025 1.00 0.00 C ATOM 1048 CD2 TYR A 67 5.430 13.684 -4.067 1.00 0.00 C ATOM 1049 CE1 TYR A 67 4.607 16.089 -5.238 1.00 0.00 C ATOM 1050 CE2 TYR A 67 5.293 14.835 -3.281 1.00 0.00 C ATOM 1051 CZ TYR A 67 4.882 16.038 -3.868 1.00 0.00 C ATOM 1052 OH TYR A 67 4.746 17.172 -3.094 1.00 0.00 O ATOM 0 H TYR A 67 3.316 11.374 -5.016 1.00 9.52 H new ATOM 0 HA TYR A 67 3.608 12.971 -7.534 1.00 15.46 H new ATOM 0 HB2 TYR A 67 5.658 11.654 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.047 12.646 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.534 14.982 -7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.744 12.756 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.287 17.016 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.504 14.795 -2.223 1.00 0.00 H new ATOM 0 HH TYR A 67 4.975 16.963 -2.164 1.00 0.00 H new ATOM 1062 N PHE A 68 3.952 9.775 -7.242 1.00 8.73 N ATOM 1063 CA PHE A 68 4.052 8.586 -8.086 1.00 10.43 C ATOM 1064 C PHE A 68 2.666 8.073 -8.366 1.00 8.79 C ATOM 1065 O PHE A 68 1.671 8.703 -8.071 1.00 0.00 O ATOM 1066 CB PHE A 68 4.878 7.464 -7.400 1.00 0.00 C ATOM 1067 CG PHE A 68 5.313 7.857 -6.012 1.00 0.00 C ATOM 1068 CD1 PHE A 68 6.252 8.873 -5.824 1.00 0.00 C ATOM 1069 CD2 PHE A 68 4.774 7.187 -4.906 1.00 0.00 C ATOM 1070 CE1 PHE A 68 6.653 9.222 -4.530 1.00 0.00 C ATOM 1071 CE2 PHE A 68 5.174 7.532 -3.615 1.00 0.00 C ATOM 1072 CZ PHE A 68 6.113 8.551 -3.425 1.00 0.00 C ATOM 0 H PHE A 68 3.786 9.599 -6.251 1.00 8.73 H new ATOM 0 HA PHE A 68 4.560 8.863 -9.010 1.00 10.43 H new ATOM 0 HB2 PHE A 68 4.282 6.553 -7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.756 7.237 -8.005 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.668 9.389 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.047 6.402 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.379 10.008 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.759 7.013 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.422 8.821 -2.426 1.00 0.00 H new ATOM 1082 N SER A 69 2.606 6.938 -8.911 1.00 15.67 N ATOM 1083 CA SER A 69 1.296 6.312 -9.223 1.00 13.96 C ATOM 1084 C SER A 69 1.097 5.074 -8.328 1.00 10.02 C ATOM 1085 O SER A 69 0.177 4.306 -8.517 1.00 0.00 O ATOM 1086 CB SER A 69 1.266 5.890 -10.692 1.00 0.00 C ATOM 1087 OG SER A 69 0.083 6.397 -11.302 1.00 0.00 O ATOM 0 H SER A 69 3.419 6.380 -9.171 1.00 15.67 H new ATOM 0 HA SER A 69 0.497 7.029 -9.038 1.00 13.96 H new ATOM 0 HB2 SER A 69 2.147 6.269 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.293 4.803 -10.771 1.00 0.00 H new ATOM 0 HG SER A 69 0.061 6.130 -12.245 1.00 0.00 H new ATOM 1093 N ASP A 70 1.955 4.881 -7.350 1.00 8.06 N ATOM 1094 CA ASP A 70 1.813 3.713 -6.450 1.00 6.28 C ATOM 1095 C ASP A 70 0.610 3.937 -5.539 1.00 4.25 C ATOM 1096 O ASP A 70 0.410 5.015 -5.025 1.00 0.00 O ATOM 1097 CB ASP A 70 3.088 3.579 -5.607 1.00 0.00 C ATOM 1098 CG ASP A 70 3.452 2.101 -5.455 1.00 0.00 C ATOM 1099 OD1 ASP A 70 2.555 1.278 -5.528 1.00 0.00 O ATOM 1100 OD2 ASP A 70 4.623 1.817 -5.267 1.00 0.00 O ATOM 0 H ASP A 70 2.747 5.491 -7.145 1.00 8.06 H new ATOM 0 HA ASP A 70 1.664 2.802 -7.029 1.00 6.28 H new ATOM 0 HB2 ASP A 70 3.908 4.118 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.936 4.029 -4.626 1.00 0.00 H new ATOM 1105 N PHE A 71 -0.203 2.940 -5.343 1.00 5.45 N ATOM 1106 CA PHE A 71 -1.393 3.128 -4.471 1.00 4.90 C ATOM 1107 C PHE A 71 -1.595 1.904 -3.583 1.00 4.83 C ATOM 1108 O PHE A 71 -1.316 0.787 -3.967 1.00 0.00 O ATOM 1109 CB PHE A 71 -2.636 3.328 -5.343 1.00 0.00 C ATOM 1110 CG PHE A 71 -3.186 1.983 -5.759 1.00 0.00 C ATOM 1111 CD1 PHE A 71 -2.607 1.292 -6.832 1.00 0.00 C ATOM 1112 CD2 PHE A 71 -4.275 1.428 -5.074 1.00 0.00 C ATOM 1113 CE1 PHE A 71 -3.117 0.046 -7.218 1.00 0.00 C ATOM 1114 CE2 PHE A 71 -4.784 0.181 -5.461 1.00 0.00 C ATOM 1115 CZ PHE A 71 -4.205 -0.509 -6.532 1.00 0.00 C ATOM 0 H PHE A 71 -0.097 2.009 -5.746 1.00 5.45 H new ATOM 0 HA PHE A 71 -1.235 4.004 -3.842 1.00 4.90 H new ATOM 0 HB2 PHE A 71 -3.393 3.887 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.383 3.917 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.768 1.720 -7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.722 1.961 -4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.671 -0.487 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.623 -0.247 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.597 -1.470 -6.830 1.00 0.00 H new ATOM 1125 N VAL A 72 -2.099 2.113 -2.401 1.00 5.06 N ATOM 1126 CA VAL A 72 -2.353 0.973 -1.478 1.00 5.47 C ATOM 1127 C VAL A 72 -3.862 0.854 -1.275 1.00 4.27 C ATOM 1128 O VAL A 72 -4.586 1.823 -1.376 1.00 0.00 O ATOM 1129 CB VAL A 72 -1.646 1.200 -0.123 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -1.358 2.690 0.083 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -2.536 0.697 1.019 1.00 0.00 C ATOM 0 H VAL A 72 -2.348 3.031 -2.032 1.00 5.06 H new ATOM 0 HA VAL A 72 -1.956 0.053 -1.908 1.00 5.47 H new ATOM 0 HB VAL A 72 -0.705 0.649 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.860 2.835 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.714 3.050 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.295 3.246 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.032 0.860 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.481 1.241 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.729 -0.368 0.888 1.00 0.00 H new ATOM 1141 N CYS A 73 -4.347 -0.324 -1.020 1.00 4.80 N ATOM 1142 CA CYS A 73 -5.822 -0.496 -0.841 1.00 4.65 C ATOM 1143 C CYS A 73 -6.135 -1.060 0.547 1.00 8.45 C ATOM 1144 O CYS A 73 -5.678 -2.125 0.917 1.00 0.00 O ATOM 1145 CB CYS A 73 -6.343 -1.467 -1.900 1.00 0.00 C ATOM 1146 SG CYS A 73 -8.044 -1.935 -1.501 1.00 0.00 S ATOM 0 H CYS A 73 -3.794 -1.176 -0.927 1.00 4.80 H new ATOM 0 HA CYS A 73 -6.304 0.476 -0.944 1.00 4.65 H new ATOM 0 HB2 CYS A 73 -6.303 -1.003 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.710 -2.353 -1.939 1.00 0.00 H new ATOM 1151 N GLN A 74 -6.934 -0.359 1.303 1.00 10.66 N ATOM 1152 CA GLN A 74 -7.318 -0.845 2.658 1.00 18.44 C ATOM 1153 C GLN A 74 -8.676 -1.538 2.544 1.00 20.63 C ATOM 1154 O GLN A 74 -9.458 -1.224 1.669 1.00 0.00 O ATOM 1155 CB GLN A 74 -7.423 0.345 3.615 1.00 0.00 C ATOM 1156 CG GLN A 74 -6.200 0.370 4.529 1.00 0.00 C ATOM 1157 CD GLN A 74 -6.442 1.341 5.684 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -7.238 1.074 6.561 1.00 0.00 O ATOM 1159 NE2 GLN A 74 -5.781 2.466 5.722 1.00 0.00 N ATOM 0 H GLN A 74 -7.341 0.538 1.037 1.00 10.66 H new ATOM 0 HA GLN A 74 -6.571 -1.540 3.041 1.00 18.44 H new ATOM 0 HB2 GLN A 74 -7.488 1.275 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.333 0.269 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.003 -0.630 4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.318 0.673 3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.112 2.690 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.933 3.121 6.489 1.00 0.00 H new ATOM 1168 N CYS A 75 -8.973 -2.483 3.395 1.00 23.36 N ATOM 1169 CA CYS A 75 -10.288 -3.170 3.273 1.00 27.58 C ATOM 1170 C CYS A 75 -10.548 -4.083 4.487 1.00 45.28 C ATOM 1171 O CYS A 75 -10.280 -5.268 4.432 1.00 0.00 O ATOM 1172 CB CYS A 75 -10.273 -4.026 2.012 1.00 0.00 C ATOM 1173 SG CYS A 75 -11.831 -4.932 1.870 1.00 0.00 S ATOM 0 H CYS A 75 -8.374 -2.804 4.156 1.00 23.36 H new ATOM 0 HA CYS A 75 -11.075 -2.417 3.227 1.00 27.58 H new ATOM 0 HB2 CYS A 75 -10.127 -3.396 1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -9.437 -4.725 2.045 1.00 0.00 H new ATOM 1178 N PRO A 76 -11.082 -3.512 5.538 1.00 58.64 N ATOM 1179 CA PRO A 76 -11.405 -4.268 6.751 1.00 81.15 C ATOM 1180 C PRO A 76 -12.490 -5.298 6.447 1.00 88.23 C ATOM 1181 O PRO A 76 -12.722 -5.642 5.310 1.00 0.00 O ATOM 1182 CB PRO A 76 -11.928 -3.220 7.748 1.00 0.00 C ATOM 1183 CG PRO A 76 -11.922 -1.842 7.017 1.00 0.00 C ATOM 1184 CD PRO A 76 -11.390 -2.083 5.592 1.00 0.00 C ATOM 0 HA PRO A 76 -10.544 -4.810 7.144 1.00 81.15 H new ATOM 0 HB2 PRO A 76 -12.934 -3.474 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.298 -3.187 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.926 -1.419 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.291 -1.128 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.133 -1.811 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.503 -1.481 5.395 1.00 0.00 H new ATOM 1192 N GLU A 77 -13.141 -5.773 7.489 1.00 90.76 N ATOM 1193 CA GLU A 77 -14.251 -6.798 7.374 1.00131.02 C ATOM 1194 C GLU A 77 -13.652 -8.195 7.388 1.00155.99 C ATOM 1195 O GLU A 77 -14.020 -9.032 8.191 1.00 0.00 O ATOM 1196 CB GLU A 77 -15.082 -6.603 6.088 1.00 0.00 C ATOM 1197 CG GLU A 77 -15.492 -5.129 5.945 1.00 0.00 C ATOM 1198 CD GLU A 77 -16.926 -4.944 6.442 1.00 0.00 C ATOM 1199 OE1 GLU A 77 -17.347 -5.726 7.279 1.00 0.00 O ATOM 1200 OE2 GLU A 77 -17.579 -4.023 5.980 1.00 0.00 O ATOM 0 H GLU A 77 -12.946 -5.486 8.448 1.00 90.76 H new ATOM 0 HA GLU A 77 -14.920 -6.666 8.225 1.00131.02 H new ATOM 0 HB2 GLU A 77 -14.501 -6.913 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.970 -7.234 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.814 -4.496 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.415 -4.819 4.903 1.00 0.00 H new ATOM 1207 N GLY A 78 -12.735 -8.456 6.517 1.00138.96 N ATOM 1208 CA GLY A 78 -12.103 -9.799 6.479 1.00184.32 C ATOM 1209 C GLY A 78 -12.458 -10.518 5.169 1.00164.96 C ATOM 1210 O GLY A 78 -12.105 -11.665 4.976 1.00 0.00 O ATOM 0 H GLY A 78 -12.389 -7.795 5.821 1.00138.96 H new ATOM 0 HA2 GLY A 78 -11.021 -9.702 6.567 1.00184.32 H new ATOM 0 HA3 GLY A 78 -12.440 -10.391 7.330 1.00184.32 H new ATOM 1214 N PHE A 79 -13.153 -9.865 4.262 1.00126.83 N ATOM 1215 CA PHE A 79 -13.506 -10.538 2.983 1.00117.53 C ATOM 1216 C PHE A 79 -12.211 -10.833 2.188 1.00111.87 C ATOM 1217 O PHE A 79 -11.169 -11.075 2.766 1.00 0.00 O ATOM 1218 CB PHE A 79 -14.436 -9.634 2.173 1.00 0.00 C ATOM 1219 CG PHE A 79 -15.585 -9.175 3.039 1.00 0.00 C ATOM 1220 CD1 PHE A 79 -16.219 -10.079 3.900 1.00 0.00 C ATOM 1221 CD2 PHE A 79 -16.023 -7.847 2.975 1.00 0.00 C ATOM 1222 CE1 PHE A 79 -17.289 -9.656 4.697 1.00 0.00 C ATOM 1223 CE2 PHE A 79 -17.095 -7.425 3.770 1.00 0.00 C ATOM 1224 CZ PHE A 79 -17.726 -8.329 4.633 1.00 0.00 C ATOM 0 H PHE A 79 -13.485 -8.905 4.358 1.00126.83 H new ATOM 0 HA PHE A 79 -14.019 -11.478 3.185 1.00117.53 H new ATOM 0 HB2 PHE A 79 -13.884 -8.772 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.816 -10.172 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -15.882 -11.104 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -15.534 -7.148 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -17.777 -10.354 5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -17.436 -6.401 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 79 -18.550 -8.002 5.249 1.00 0.00 H new ATOM 1234 N ALA A 80 -12.258 -10.827 0.872 1.00101.67 N ATOM 1235 CA ALA A 80 -11.019 -11.125 0.094 1.00102.62 C ATOM 1236 C ALA A 80 -11.052 -10.416 -1.263 1.00 88.40 C ATOM 1237 O ALA A 80 -12.099 -10.032 -1.757 1.00 0.00 O ATOM 1238 CB ALA A 80 -10.922 -12.632 -0.134 1.00 0.00 C ATOM 0 H ALA A 80 -13.090 -10.631 0.315 1.00101.67 H new ATOM 0 HA ALA A 80 -10.156 -10.770 0.657 1.00102.62 H new ATOM 0 HB1 ALA A 80 -10.019 -12.857 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.883 -13.144 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.795 -12.973 -0.691 1.00 0.00 H new ATOM 1244 N GLY A 81 -9.904 -10.248 -1.872 1.00 86.16 N ATOM 1245 CA GLY A 81 -9.846 -9.575 -3.202 1.00 79.86 C ATOM 1246 C GLY A 81 -9.480 -8.100 -3.020 1.00 58.90 C ATOM 1247 O GLY A 81 -9.681 -7.525 -1.969 1.00 0.00 O ATOM 0 H GLY A 81 -9.003 -10.550 -1.502 1.00 86.16 H new ATOM 0 HA2 GLY A 81 -9.109 -10.067 -3.837 1.00 79.86 H new ATOM 0 HA3 GLY A 81 -10.809 -9.661 -3.706 1.00 79.86 H new ATOM 1251 N LYS A 82 -8.948 -7.478 -4.041 1.00 57.07 N ATOM 1252 CA LYS A 82 -8.580 -6.037 -3.925 1.00 43.22 C ATOM 1253 C LYS A 82 -9.845 -5.219 -3.690 1.00 31.97 C ATOM 1254 O LYS A 82 -9.888 -4.347 -2.845 1.00 0.00 O ATOM 1255 CB LYS A 82 -7.910 -5.570 -5.217 1.00 0.00 C ATOM 1256 CG LYS A 82 -6.570 -4.916 -4.887 1.00 0.00 C ATOM 1257 CD LYS A 82 -5.473 -5.971 -4.933 1.00 0.00 C ATOM 1258 CE LYS A 82 -4.826 -5.965 -6.315 1.00 0.00 C ATOM 1259 NZ LYS A 82 -3.356 -6.131 -6.169 1.00 0.00 N ATOM 0 H LYS A 82 -8.753 -7.905 -4.947 1.00 57.07 H new ATOM 0 HA LYS A 82 -7.889 -5.903 -3.093 1.00 43.22 H new ATOM 0 HB2 LYS A 82 -7.759 -6.416 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.554 -4.862 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.355 -4.120 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.609 -4.458 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.724 -5.767 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.890 -6.955 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.236 -6.770 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.049 -5.030 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.911 -6.127 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.973 -5.348 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.154 -7.034 -5.694 1.00 0.00 H new ATOM 1273 N SER A 83 -10.878 -5.507 -4.421 1.00 34.63 N ATOM 1274 CA SER A 83 -12.157 -4.760 -4.233 1.00 27.13 C ATOM 1275 C SER A 83 -12.982 -5.425 -3.116 1.00 29.31 C ATOM 1276 O SER A 83 -14.051 -4.975 -2.779 1.00 0.00 O ATOM 1277 CB SER A 83 -12.968 -4.770 -5.535 1.00 0.00 C ATOM 1278 OG SER A 83 -12.261 -5.491 -6.538 1.00 0.00 O ATOM 0 H SER A 83 -10.898 -6.227 -5.143 1.00 34.63 H new ATOM 0 HA SER A 83 -11.929 -3.730 -3.960 1.00 27.13 H new ATOM 0 HB2 SER A 83 -13.942 -5.228 -5.364 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.150 -3.748 -5.869 1.00 0.00 H new ATOM 0 HG SER A 83 -12.721 -6.338 -6.718 1.00 0.00 H new ATOM 1284 N CYS A 84 -12.489 -6.496 -2.530 1.00 35.45 N ATOM 1285 CA CYS A 84 -13.250 -7.168 -1.440 1.00 42.47 C ATOM 1286 C CYS A 84 -14.573 -7.711 -1.991 1.00 50.46 C ATOM 1287 O CYS A 84 -15.515 -7.921 -1.259 1.00 0.00 O ATOM 1288 CB CYS A 84 -13.541 -6.162 -0.313 1.00 0.00 C ATOM 1289 SG CYS A 84 -12.133 -5.035 -0.120 1.00 0.00 S ATOM 0 H CYS A 84 -11.595 -6.927 -2.764 1.00 35.45 H new ATOM 0 HA CYS A 84 -12.655 -7.992 -1.046 1.00 42.47 H new ATOM 0 HB2 CYS A 84 -14.444 -5.596 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.726 -6.692 0.622 1.00 0.00 H new ATOM 1294 N GLU A 85 -14.653 -7.944 -3.274 1.00 57.13 N ATOM 1295 CA GLU A 85 -15.921 -8.473 -3.852 1.00 69.18 C ATOM 1296 C GLU A 85 -16.147 -9.927 -3.404 1.00 91.99 C ATOM 1297 O GLU A 85 -17.218 -10.471 -3.588 1.00 0.00 O ATOM 1298 CB GLU A 85 -15.851 -8.422 -5.380 1.00 0.00 C ATOM 1299 CG GLU A 85 -14.699 -9.301 -5.874 1.00 0.00 C ATOM 1300 CD GLU A 85 -13.889 -8.535 -6.922 1.00 0.00 C ATOM 1301 OE1 GLU A 85 -14.308 -8.516 -8.068 1.00 0.00 O ATOM 1302 OE2 GLU A 85 -12.865 -7.978 -6.561 1.00 0.00 O ATOM 0 H GLU A 85 -13.899 -7.792 -3.943 1.00 57.13 H new ATOM 0 HA GLU A 85 -16.749 -7.858 -3.499 1.00 69.18 H new ATOM 0 HB2 GLU A 85 -16.793 -8.765 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.705 -7.394 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.059 -9.584 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.089 -10.224 -6.303 1.00 0.00 H new ATOM 1309 N ILE A 86 -15.158 -10.572 -2.821 1.00 99.48 N ATOM 1310 CA ILE A 86 -15.367 -11.980 -2.390 1.00128.81 C ATOM 1311 C ILE A 86 -15.686 -12.026 -0.897 1.00133.12 C ATOM 1312 O ILE A 86 -14.814 -11.933 -0.065 1.00 0.00 O ATOM 1313 CB ILE A 86 -14.104 -12.796 -2.657 1.00 0.00 C ATOM 1314 CG1 ILE A 86 -13.775 -12.766 -4.155 1.00 0.00 C ATOM 1315 CG2 ILE A 86 -14.332 -14.240 -2.211 1.00 0.00 C ATOM 1316 CD1 ILE A 86 -14.975 -13.272 -4.959 1.00 0.00 C ATOM 0 H ILE A 86 -14.233 -10.185 -2.631 1.00 99.48 H new ATOM 0 HA ILE A 86 -16.200 -12.400 -2.953 1.00128.81 H new ATOM 0 HB ILE A 86 -13.271 -12.368 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -13.522 -11.751 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.902 -13.386 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.432 -14.826 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.561 -14.260 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -15.166 -14.666 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -14.736 -13.249 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -15.207 -14.295 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -15.837 -12.633 -4.767 1.00 0.00 H new ATOM 1328 N ASP A 87 -16.926 -12.192 -0.549 1.00143.55 N ATOM 1329 CA ASP A 87 -17.284 -12.263 0.891 1.00156.01 C ATOM 1330 C ASP A 87 -17.506 -13.715 1.268 1.00192.65 C ATOM 1331 O ASP A 87 -18.253 -14.432 0.629 1.00 0.00 O ATOM 1332 CB ASP A 87 -18.561 -11.469 1.169 1.00 0.00 C ATOM 1333 CG ASP A 87 -18.934 -10.614 -0.047 1.00 0.00 C ATOM 1334 OD1 ASP A 87 -18.097 -9.842 -0.482 1.00 0.00 O ATOM 1335 OD2 ASP A 87 -20.051 -10.747 -0.522 1.00 0.00 O ATOM 0 H ASP A 87 -17.708 -12.282 -1.198 1.00143.55 H new ATOM 0 HA ASP A 87 -16.473 -11.836 1.481 1.00156.01 H new ATOM 0 HB2 ASP A 87 -19.377 -12.152 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.417 -10.830 2.040 1.00 0.00 H new ATOM 1340 N THR A 88 -16.872 -14.151 2.297 1.00 0.00 N ATOM 1341 CA THR A 88 -17.041 -15.567 2.736 1.00 0.00 C ATOM 1342 C THR A 88 -17.628 -15.593 4.147 1.00 0.00 C ATOM 1343 O THR A 88 -18.245 -16.556 4.558 1.00 0.00 O ATOM 1344 CB THR A 88 -15.684 -16.275 2.734 1.00 0.00 C ATOM 1345 OG1 THR A 88 -15.871 -17.655 3.020 1.00 0.00 O ATOM 1346 CG2 THR A 88 -14.782 -15.650 3.795 1.00 0.00 C ATOM 0 H THR A 88 -16.236 -13.594 2.867 1.00 0.00 H new ATOM 0 HA THR A 88 -17.714 -16.080 2.050 1.00 0.00 H new ATOM 0 HB THR A 88 -15.218 -16.167 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.003 -18.110 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.816 -16.154 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.640 -14.592 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.246 -15.757 4.776 1.00 0.00 H new ATOM 1354 N ARG A 89 -17.448 -14.535 4.892 1.00 0.00 N ATOM 1355 CA ARG A 89 -17.988 -14.483 6.253 1.00 0.00 C ATOM 1356 C ARG A 89 -19.494 -14.315 6.173 1.00 0.00 C ATOM 1357 O ARG A 89 -20.254 -15.066 6.754 1.00 0.00 O ATOM 1358 CB ARG A 89 -17.385 -13.285 6.953 1.00 0.00 C ATOM 1359 CG ARG A 89 -17.966 -13.164 8.344 1.00 0.00 C ATOM 1360 CD ARG A 89 -19.011 -12.052 8.358 1.00 0.00 C ATOM 1361 NE ARG A 89 -19.034 -11.407 9.700 1.00 0.00 N ATOM 1362 CZ ARG A 89 -19.619 -10.249 9.857 1.00 0.00 C ATOM 1363 NH1 ARG A 89 -20.853 -10.087 9.467 1.00 0.00 N ATOM 1364 NH2 ARG A 89 -18.972 -9.257 10.405 1.00 0.00 N ATOM 0 H ARG A 89 -16.941 -13.700 4.598 1.00 0.00 H new ATOM 0 HA ARG A 89 -17.751 -15.396 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.302 -13.391 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.588 -12.378 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -18.419 -14.109 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.176 -12.946 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -18.780 -11.312 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -19.994 -12.460 8.122 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.594 -11.869 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -21.359 -10.863 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -21.312 -9.184 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.008 -9.385 10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -19.431 -8.354 10.526 1.00 0.00 H new ATOM 1378 N ALA A 90 -19.925 -13.332 5.450 1.00 0.00 N ATOM 1379 CA ALA A 90 -21.387 -13.090 5.305 1.00 0.00 C ATOM 1380 C ALA A 90 -21.905 -13.858 4.084 1.00 0.00 C ATOM 1381 O ALA A 90 -21.157 -14.172 3.179 1.00 0.00 O ATOM 1382 CB ALA A 90 -21.637 -11.589 5.119 1.00 0.00 C ATOM 0 H ALA A 90 -19.327 -12.677 4.947 1.00 0.00 H new ATOM 0 HA ALA A 90 -21.910 -13.433 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -22.707 -11.409 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -21.262 -11.047 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -21.120 -11.242 4.224 1.00 0.00 H new ATOM 1388 N THR A 91 -23.181 -14.173 4.060 1.00 0.00 N ATOM 1389 CA THR A 91 -23.749 -14.928 2.912 1.00 0.00 C ATOM 1390 C THR A 91 -23.360 -14.252 1.594 1.00 0.00 C ATOM 1391 O THR A 91 -22.988 -14.963 0.675 1.00 0.00 O ATOM 1392 CB THR A 91 -25.279 -14.968 3.029 1.00 0.00 C ATOM 1393 OG1 THR A 91 -25.642 -15.294 4.364 1.00 0.00 O ATOM 1394 CG2 THR A 91 -25.842 -16.024 2.073 1.00 0.00 C ATOM 1395 OXT THR A 91 -23.442 -13.037 1.526 1.00 0.00 O ATOM 0 H THR A 91 -23.850 -13.935 4.793 1.00 0.00 H new ATOM 0 HA THR A 91 -23.352 -15.943 2.925 1.00 0.00 H new ATOM 0 HB THR A 91 -25.688 -13.992 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.619 -15.318 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.928 -16.050 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.564 -15.773 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.434 -17.002 2.330 1.00 0.00 H new TER 1403 THR A 91 CONECT 92 617 CONECT 583 710 CONECT 617 92 CONECT 710 583 CONECT 827 973 CONECT 901 1146 CONECT 973 827 CONECT 1146 901 CONECT 1173 1289 CONECT 1289 1173 END