USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 546 hydrogens (3 hets) HEADER HYDROLASE (SERINE PROTEINASE) 12-JUN-95 1HYM TITLE HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR TITLE 2 STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYDROLYZED CUCURBITA MAXIMA TRYPSIN INHIBITOR V; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CMTI-V; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: HYDROLYZED CUCURBITA MAXIMA TRYPSIN INHIBITOR V; COMPND 7 CHAIN: B; COMPND 8 SYNONYM: CMTI-V SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; SOURCE 3 ORGANISM_COMMON: WINTER SQUASH; SOURCE 4 ORGANISM_TAXID: 3661; SOURCE 5 TISSUE: SEED; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; SOURCE 8 ORGANISM_COMMON: WINTER SQUASH; SOURCE 9 ORGANISM_TAXID: 3661; SOURCE 0 TISSUE: SEED KEYWDS HYDROLASE (SERINE PROTEINASE) EXPDTA SOLUTION NMR AUTHOR M.CAI,Y.GONG,O.PRAKASH,R.KRISHNAMOORTHI REVDAT 2 24-FEB-09 1HYM 1 VERSN REVDAT 1 15-SEP-95 1HYM 0 JRNL AUTH M.CAI,Y.GONG,O.PRAKASH,R.KRISHNAMOORTHI JRNL TITL REACTIVE-SITE HYDROLYZED CUCURBITA MAXIMA TRYPSIN JRNL TITL 2 INHIBITOR-V: FUNCTION, THERMODYNAMIC STABILITY, JRNL TITL 3 AND NMR SOLUTION STRUCTURE. JRNL REF BIOCHEMISTRY V. 34 12087 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7547948 JRNL DOI 10.1021/BI00038A001 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.CAI,Y.GONG,J.L.F.KAO,R.KRISHNAMOORTHI REMARK 1 TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF CUCURBITA REMARK 1 TITL 2 MAXIMA TRYPSIN INHIBITOR-V DETERMINED BY NMR REMARK 1 TITL 3 SPECTROSCOPY REMARK 1 REF BIOCHEMISTRY V. 34 5201 1995 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.KRISHNAMOORTHI,Y.GONG,M.RICHARDSON REMARK 1 TITL A NEW PROTEIN INHIBITOR OF TRYPSIN AND ACTIVATED REMARK 1 TITL 2 HAGEMAN FACTOR FROM PUMPKIN (CUCURBITA MAXIMA) REMARK 1 TITL 3 SEEDS REMARK 1 REF FEBS LETT. V. 273 163 1990 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HYM 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 11 CG HIS A 11 ND1 -0.102 REMARK 500 TRP B 54 CG TRP B 54 CD2 -0.104 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 9 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 9 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 9 NE1 - CE2 - CZ2 ANGL. DEV. = 8.7 DEGREES REMARK 500 TRP A 9 NE1 - CE2 - CD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP B 54 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP B 54 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP B 54 NE1 - CE2 - CZ2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP B 54 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 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 PRO A 4 -170.68 -56.97 REMARK 500 LYS A 6 100.03 -53.84 REMARK 500 PRO A 10 -113.98 -66.62 REMARK 500 HIS A 11 67.76 -155.00 REMARK 500 LEU A 12 29.68 -79.95 REMARK 500 VAL A 15 43.11 -84.32 REMARK 500 PRO A 29 1.17 -59.26 REMARK 500 PRO A 41 106.75 -58.21 REMARK 500 THR A 43 105.43 -45.15 REMARK 500 ARG B 58 -9.96 -52.01 REMARK 500 ILE B 67 -96.67 -81.76 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 26 0.17 SIDE_CHAIN REMARK 500 ARG B 47 0.24 SIDE_CHAIN REMARK 500 ARG B 52 0.26 SIDE_CHAIN REMARK 500 ARG B 58 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1HYM A 1 44 UNP P19873 ITH5_CUCMA 1 44 DBREF 1HYM B 45 68 UNP P19873 ITH5_CUCMA 45 68 SEQRES 1 A 45 ACE SER SER CYS PRO GLY LYS SER SER TRP PRO HIS LEU SEQRES 2 A 45 VAL GLY VAL GLY GLY SER VAL ALA LYS ALA ILE ILE GLU SEQRES 3 A 45 ARG GLN ASN PRO ASN VAL LYS ALA VAL ILE LEU GLU GLU SEQRES 4 A 45 GLY THR PRO VAL THR LYS SEQRES 1 B 24 ASP PHE ARG CYS ASN ARG VAL ARG ILE TRP VAL ASN LYS SEQRES 2 B 24 ARG GLY LEU VAL VAL SER PRO PRO ARG ILE GLY HET ACE A 0 6 HETNAM ACE ACETYL GROUP FORMUL 1 ACE C2 H4 O HELIX 1 A SER A 18 ASN A 28 1 11 SHEET 1 S1 2 SER A 7 TRP A 9 0 SHEET 2 S1 2 ARG B 66 ILE B 67 -1 N ILE B 67 O SER A 7 SHEET 1 S2 2 TRP B 54 ASN B 56 0 SHEET 2 S2 2 LEU B 60 VAL B 62 -1 O VAL B 62 N TRP B 54 SHEET 1 S3 2 ARG B 50 ASN B 56 0 SHEET 2 S3 2 LYS A 32 GLU A 38 1 N GLU A 38 O ASN B 56 SSBOND *** CYS A 3 CYS B 48 1555 1555 2.02 LINK C ACE A 0 N SER A 1 1555 1555 1.31 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 7 SER OG : rot 180:sc=-0.00568 USER MOD Set 1.2: A 8 SER OG : rot 52:sc= 0.0794 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= -2.9! (180deg=-3.45!) USER MOD Single : A 11 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0.211 USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0644 (180deg=-0.561) USER MOD Single : A 27 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.9!) USER MOD Single : A 28 ASN : amide:sc= -7.61! C(o=-7.6!,f=-13!) USER MOD Single : A 30 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 106:sc= 0.19 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= -0.163 (180deg=-0.405) USER MOD Single : B 49 ASN : amide:sc= -5! C(o=-5!,f=-16!) USER MOD Single : B 56 ASN : amide:sc= -14.6! C(o=-15!,f=-19!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 SER OG : rot -150:sc= -5.39! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 -18.532 15.622 -0.901 1.00 5.01 C HETATM 2 O ACE A 0 -18.390 16.574 -1.642 1.00 5.16 O HETATM 3 CH3 ACE A 0 -19.563 15.697 0.227 1.00 5.96 C HETATM 0 H1 ACE A 0 -20.303 14.907 0.097 1.00 5.96 H new HETATM 0 H2 ACE A 0 -19.062 15.570 1.187 1.00 5.96 H new HETATM 0 H3 ACE A 0 -20.060 16.667 0.202 1.00 5.96 H new ATOM 7 N SER A 1 -17.850 14.514 -1.002 1.00 4.49 N ATOM 8 CA SER A 1 -16.832 14.379 -2.077 1.00 4.01 C ATOM 9 C SER A 1 -16.329 12.939 -2.137 1.00 3.11 C ATOM 10 O SER A 1 -16.710 12.140 -1.305 1.00 3.37 O ATOM 11 CB SER A 1 -15.674 15.322 -1.734 1.00 4.66 C ATOM 12 OG SER A 1 -14.852 14.532 -0.886 1.00 5.40 O ATOM 0 H SER A 1 -17.953 13.704 -0.391 1.00 4.49 H new ATOM 0 HA SER A 1 -17.260 14.632 -3.047 1.00 4.01 H new ATOM 0 HB2 SER A 1 -15.139 15.644 -2.627 1.00 4.66 H new ATOM 0 HB3 SER A 1 -16.024 16.223 -1.230 1.00 4.66 H new ATOM 0 HG SER A 1 -14.070 15.054 -0.609 1.00 5.40 H new ATOM 18 N SER A 2 -15.498 12.644 -3.100 1.00 2.68 N ATOM 19 CA SER A 2 -14.973 11.258 -3.210 1.00 2.40 C ATOM 20 C SER A 2 -13.507 11.288 -3.636 1.00 1.79 C ATOM 21 O SER A 2 -13.131 12.140 -4.416 1.00 2.09 O ATOM 22 CB SER A 2 -15.809 10.535 -4.271 1.00 3.24 C ATOM 23 OG SER A 2 -16.235 9.356 -3.602 1.00 3.74 O ATOM 0 H SER A 2 -15.164 13.298 -3.808 1.00 2.68 H new ATOM 0 HA SER A 2 -15.038 10.745 -2.251 1.00 2.40 H new ATOM 0 HB2 SER A 2 -16.655 11.140 -4.598 1.00 3.24 H new ATOM 0 HB3 SER A 2 -15.220 10.304 -5.159 1.00 3.24 H new ATOM 0 HG SER A 2 -16.787 8.818 -4.207 1.00 3.74 H new ATOM 29 N CYS A 3 -12.726 10.376 -3.124 1.00 1.29 N ATOM 30 CA CYS A 3 -11.288 10.351 -3.499 1.00 1.09 C ATOM 31 C CYS A 3 -11.109 9.610 -4.823 1.00 0.93 C ATOM 32 O CYS A 3 -11.369 8.425 -4.892 1.00 0.91 O ATOM 33 CB CYS A 3 -10.539 9.610 -2.386 1.00 1.29 C ATOM 34 SG CYS A 3 -10.116 10.587 -0.920 1.00 1.50 S ATOM 0 H CYS A 3 -13.021 9.653 -2.467 1.00 1.29 H new ATOM 0 HA CYS A 3 -10.903 11.364 -3.618 1.00 1.09 H new ATOM 0 HB2 CYS A 3 -11.147 8.762 -2.069 1.00 1.29 H new ATOM 0 HB3 CYS A 3 -9.618 9.203 -2.804 1.00 1.29 H new ATOM 39 N PRO A 4 -10.675 10.327 -5.826 1.00 1.17 N ATOM 40 CA PRO A 4 -10.454 9.752 -7.161 1.00 1.30 C ATOM 41 C PRO A 4 -9.474 8.582 -7.079 1.00 1.09 C ATOM 42 O PRO A 4 -9.143 8.159 -5.989 1.00 1.40 O ATOM 43 CB PRO A 4 -9.852 10.915 -7.972 1.00 1.85 C ATOM 44 CG PRO A 4 -10.067 12.205 -7.139 1.00 2.04 C ATOM 45 CD PRO A 4 -10.363 11.760 -5.701 1.00 1.57 C ATOM 0 HA PRO A 4 -11.366 9.359 -7.611 1.00 1.30 H new ATOM 0 HB2 PRO A 4 -8.791 10.748 -8.157 1.00 1.85 H new ATOM 0 HB3 PRO A 4 -10.336 10.999 -8.945 1.00 1.85 H new ATOM 0 HG2 PRO A 4 -9.181 12.839 -7.173 1.00 2.04 H new ATOM 0 HG3 PRO A 4 -10.894 12.791 -7.540 1.00 2.04 H new ATOM 0 HD2 PRO A 4 -9.506 11.926 -5.048 1.00 1.57 H new ATOM 0 HD3 PRO A 4 -11.200 12.315 -5.276 1.00 1.57 H new ATOM 53 N GLY A 5 -9.040 8.095 -8.209 1.00 1.07 N ATOM 54 CA GLY A 5 -8.082 6.954 -8.193 1.00 1.17 C ATOM 55 C GLY A 5 -8.757 5.734 -7.563 1.00 1.00 C ATOM 56 O GLY A 5 -9.715 5.895 -6.833 1.00 1.12 O ATOM 0 H GLY A 5 -9.304 8.434 -9.134 1.00 1.07 H new ATOM 0 HA2 GLY A 5 -7.759 6.721 -9.208 1.00 1.17 H new ATOM 0 HA3 GLY A 5 -7.189 7.222 -7.628 1.00 1.17 H new ATOM 60 N LYS A 6 -8.251 4.567 -7.852 1.00 0.86 N ATOM 61 CA LYS A 6 -8.862 3.343 -7.271 1.00 0.77 C ATOM 62 C LYS A 6 -8.941 3.472 -5.752 1.00 0.78 C ATOM 63 O LYS A 6 -7.948 3.257 -5.084 1.00 0.76 O ATOM 64 CB LYS A 6 -7.962 2.159 -7.647 1.00 0.73 C ATOM 65 CG LYS A 6 -8.816 0.890 -7.615 1.00 0.74 C ATOM 66 CD LYS A 6 -8.239 -0.090 -8.638 1.00 0.80 C ATOM 67 CE LYS A 6 -9.374 -1.000 -9.108 1.00 0.98 C ATOM 68 NZ LYS A 6 -9.867 -1.816 -7.962 1.00 1.01 N ATOM 0 H LYS A 6 -7.447 4.410 -8.460 1.00 0.86 H new ATOM 0 HA LYS A 6 -9.872 3.198 -7.654 1.00 0.77 H new ATOM 0 HB2 LYS A 6 -7.533 2.305 -8.638 1.00 0.73 H new ATOM 0 HB3 LYS A 6 -7.129 2.076 -6.949 1.00 0.73 H new ATOM 0 HG2 LYS A 6 -8.808 0.450 -6.618 1.00 0.74 H new ATOM 0 HG3 LYS A 6 -9.854 1.122 -7.852 1.00 0.74 H new ATOM 0 HD2 LYS A 6 -7.808 0.449 -9.482 1.00 0.80 H new ATOM 0 HD3 LYS A 6 -7.437 -0.679 -8.192 1.00 0.80 H new ATOM 0 HE2 LYS A 6 -10.187 -0.402 -9.518 1.00 0.98 H new ATOM 0 HE3 LYS A 6 -9.023 -1.652 -9.908 1.00 0.98 H new ATOM 0 HZ1 LYS A 6 -10.891 -1.970 -8.061 1.00 1.01 H new ATOM 0 HZ2 LYS A 6 -9.378 -2.734 -7.954 1.00 1.01 H new ATOM 0 HZ3 LYS A 6 -9.677 -1.314 -7.071 1.00 1.01 H new ATOM 82 N SER A 7 -10.095 3.812 -5.248 1.00 0.96 N ATOM 83 CA SER A 7 -10.235 3.954 -3.776 1.00 1.10 C ATOM 84 C SER A 7 -10.157 2.581 -3.113 1.00 1.02 C ATOM 85 O SER A 7 -9.813 2.500 -1.950 1.00 1.09 O ATOM 86 CB SER A 7 -11.605 4.586 -3.505 1.00 1.39 C ATOM 87 OG SER A 7 -12.501 3.494 -3.656 1.00 1.48 O ATOM 0 H SER A 7 -10.940 3.996 -5.789 1.00 0.96 H new ATOM 0 HA SER A 7 -9.437 4.576 -3.371 1.00 1.10 H new ATOM 0 HB2 SER A 7 -11.659 5.016 -2.505 1.00 1.39 H new ATOM 0 HB3 SER A 7 -11.825 5.388 -4.210 1.00 1.39 H new ATOM 0 HG SER A 7 -13.419 3.800 -3.498 1.00 1.48 H new ATOM 93 N SER A 8 -10.473 1.552 -3.851 1.00 1.00 N ATOM 94 CA SER A 8 -10.418 0.188 -3.264 1.00 1.00 C ATOM 95 C SER A 8 -9.857 -0.794 -4.290 1.00 0.99 C ATOM 96 O SER A 8 -10.541 -1.117 -5.241 1.00 1.17 O ATOM 97 CB SER A 8 -11.851 -0.209 -2.891 1.00 1.12 C ATOM 98 OG SER A 8 -12.635 0.438 -3.883 1.00 1.75 O ATOM 0 H SER A 8 -10.764 1.598 -4.827 1.00 1.00 H new ATOM 0 HA SER A 8 -9.773 0.171 -2.385 1.00 1.00 H new ATOM 0 HB2 SER A 8 -11.988 -1.290 -2.911 1.00 1.12 H new ATOM 0 HB3 SER A 8 -12.114 0.127 -1.888 1.00 1.12 H new ATOM 0 HG SER A 8 -12.289 0.212 -4.772 1.00 1.75 H new ATOM 104 N TRP A 9 -8.649 -1.241 -4.079 1.00 0.90 N ATOM 105 CA TRP A 9 -8.048 -2.200 -5.043 1.00 0.91 C ATOM 106 C TRP A 9 -8.562 -3.611 -4.762 1.00 1.05 C ATOM 107 O TRP A 9 -9.226 -3.827 -3.769 1.00 1.39 O ATOM 108 CB TRP A 9 -6.526 -2.150 -4.853 1.00 0.86 C ATOM 109 CG TRP A 9 -5.944 -1.004 -5.684 1.00 0.75 C ATOM 110 CD1 TRP A 9 -5.575 -1.095 -6.973 1.00 0.75 C ATOM 111 CD2 TRP A 9 -5.728 0.231 -5.235 1.00 0.70 C ATOM 112 NE1 TRP A 9 -5.135 0.132 -7.261 1.00 0.70 N ATOM 113 CE2 TRP A 9 -5.195 1.021 -6.236 1.00 0.67 C ATOM 114 CE3 TRP A 9 -5.960 0.765 -3.984 1.00 0.72 C ATOM 115 CZ2 TRP A 9 -4.894 2.344 -5.983 1.00 0.66 C ATOM 116 CZ3 TRP A 9 -5.659 2.087 -3.732 1.00 0.70 C ATOM 117 CH2 TRP A 9 -5.126 2.877 -4.731 1.00 0.67 C ATOM 0 H TRP A 9 -8.058 -0.985 -3.288 1.00 0.90 H new ATOM 0 HA TRP A 9 -8.317 -1.937 -6.066 1.00 0.91 H new ATOM 0 HB2 TRP A 9 -6.285 -2.008 -3.799 1.00 0.86 H new ATOM 0 HB3 TRP A 9 -6.080 -3.097 -5.157 1.00 0.86 H new ATOM 0 HD1 TRP A 9 -5.623 -1.957 -7.622 1.00 0.75 H new ATOM 0 HE1 TRP A 9 -4.780 0.383 -8.183 1.00 0.70 H new ATOM 0 HE3 TRP A 9 -6.377 0.148 -3.202 1.00 0.72 H new ATOM 0 HZ2 TRP A 9 -4.477 2.962 -6.764 1.00 0.66 H new ATOM 0 HZ3 TRP A 9 -5.840 2.505 -2.753 1.00 0.70 H new ATOM 0 HH2 TRP A 9 -4.891 3.912 -4.533 1.00 0.67 H new ATOM 128 N PRO A 10 -8.237 -4.516 -5.645 1.00 1.00 N ATOM 129 CA PRO A 10 -8.653 -5.921 -5.520 1.00 1.12 C ATOM 130 C PRO A 10 -7.979 -6.577 -4.316 1.00 1.01 C ATOM 131 O PRO A 10 -8.256 -6.194 -3.197 1.00 1.30 O ATOM 132 CB PRO A 10 -8.171 -6.566 -6.833 1.00 1.41 C ATOM 133 CG PRO A 10 -7.191 -5.564 -7.498 1.00 1.52 C ATOM 134 CD PRO A 10 -7.428 -4.202 -6.832 1.00 1.17 C ATOM 0 HA PRO A 10 -9.726 -6.032 -5.365 1.00 1.12 H new ATOM 0 HB2 PRO A 10 -7.676 -7.517 -6.636 1.00 1.41 H new ATOM 0 HB3 PRO A 10 -9.014 -6.776 -7.492 1.00 1.41 H new ATOM 0 HG2 PRO A 10 -6.158 -5.886 -7.363 1.00 1.52 H new ATOM 0 HG3 PRO A 10 -7.368 -5.505 -8.572 1.00 1.52 H new ATOM 0 HD2 PRO A 10 -6.488 -3.724 -6.558 1.00 1.17 H new ATOM 0 HD3 PRO A 10 -7.951 -3.518 -7.500 1.00 1.17 H new ATOM 142 N HIS A 11 -7.126 -7.533 -4.567 1.00 1.11 N ATOM 143 CA HIS A 11 -6.437 -8.211 -3.438 1.00 1.41 C ATOM 144 C HIS A 11 -5.112 -8.799 -3.918 1.00 1.39 C ATOM 145 O HIS A 11 -4.978 -10.006 -3.963 1.00 1.85 O ATOM 146 CB HIS A 11 -7.358 -9.333 -2.946 1.00 2.08 C ATOM 147 CG HIS A 11 -8.446 -9.596 -3.990 1.00 2.68 C ATOM 148 ND1 HIS A 11 -9.604 -9.081 -3.981 1.00 3.30 N ATOM 149 CD2 HIS A 11 -8.422 -10.402 -5.113 1.00 3.32 C ATOM 150 CE1 HIS A 11 -10.288 -9.491 -4.983 1.00 4.00 C ATOM 151 NE2 HIS A 11 -9.605 -10.331 -5.745 1.00 4.04 N ATOM 0 H HIS A 11 -6.879 -7.870 -5.498 1.00 1.11 H new ATOM 0 HA HIS A 11 -6.227 -7.505 -2.634 1.00 1.41 H new ATOM 0 HB2 HIS A 11 -6.781 -10.241 -2.770 1.00 2.08 H new ATOM 0 HB3 HIS A 11 -7.812 -9.055 -1.995 1.00 2.08 H new ATOM 0 HD2 HIS A 11 -7.580 -10.998 -5.433 1.00 3.32 H new ATOM 0 HE1 HIS A 11 -11.305 -9.187 -5.183 1.00 4.00 H new ATOM 0 HE2 HIS A 11 -9.902 -10.805 -6.598 1.00 4.04 H new ATOM 159 N LEU A 12 -4.181 -7.952 -4.260 1.00 1.07 N ATOM 160 CA LEU A 12 -2.868 -8.462 -4.735 1.00 1.27 C ATOM 161 C LEU A 12 -2.006 -8.870 -3.543 1.00 1.07 C ATOM 162 O LEU A 12 -0.797 -8.791 -3.627 1.00 1.07 O ATOM 163 CB LEU A 12 -2.187 -7.324 -5.506 1.00 1.55 C ATOM 164 CG LEU A 12 -2.012 -7.777 -6.952 1.00 2.15 C ATOM 165 CD1 LEU A 12 -3.234 -7.299 -7.747 1.00 3.08 C ATOM 166 CD2 LEU A 12 -0.778 -7.098 -7.539 1.00 2.83 C ATOM 0 H LEU A 12 -4.273 -6.937 -4.231 1.00 1.07 H new ATOM 0 HA LEU A 12 -3.002 -9.335 -5.373 1.00 1.27 H new ATOM 0 HB2 LEU A 12 -2.791 -6.418 -5.460 1.00 1.55 H new ATOM 0 HB3 LEU A 12 -1.221 -7.086 -5.061 1.00 1.55 H new ATOM 0 HG LEU A 12 -1.907 -8.861 -6.998 1.00 2.15 H new ATOM 0 HD11 LEU A 12 -3.136 -7.610 -8.787 1.00 3.08 H new ATOM 0 HD12 LEU A 12 -4.138 -7.735 -7.322 1.00 3.08 H new ATOM 0 HD13 LEU A 12 -3.298 -6.212 -7.698 1.00 3.08 H new ATOM 0 HD21 LEU A 12 -0.645 -7.416 -8.573 1.00 2.83 H new ATOM 0 HD22 LEU A 12 -0.908 -6.016 -7.506 1.00 2.83 H new ATOM 0 HD23 LEU A 12 0.101 -7.376 -6.958 1.00 2.83 H new ATOM 178 N VAL A 13 -2.635 -9.290 -2.479 1.00 1.03 N ATOM 179 CA VAL A 13 -1.853 -9.703 -1.284 1.00 1.05 C ATOM 180 C VAL A 13 -0.889 -10.827 -1.656 1.00 1.09 C ATOM 181 O VAL A 13 -1.294 -11.765 -2.313 1.00 1.41 O ATOM 182 CB VAL A 13 -2.849 -10.200 -0.236 1.00 1.34 C ATOM 183 CG1 VAL A 13 -2.076 -10.451 1.066 1.00 1.57 C ATOM 184 CG2 VAL A 13 -3.877 -9.105 0.033 1.00 1.41 C ATOM 0 H VAL A 13 -3.648 -9.364 -2.387 1.00 1.03 H new ATOM 0 HA VAL A 13 -1.270 -8.867 -0.898 1.00 1.05 H new ATOM 0 HB VAL A 13 -3.345 -11.106 -0.585 1.00 1.34 H new ATOM 0 HG11 VAL A 13 -2.763 -10.807 1.834 1.00 1.57 H new ATOM 0 HG12 VAL A 13 -1.305 -11.201 0.892 1.00 1.57 H new ATOM 0 HG13 VAL A 13 -1.611 -9.523 1.398 1.00 1.57 H new ATOM 0 HG21 VAL A 13 -4.591 -9.452 0.780 1.00 1.41 H new ATOM 0 HG22 VAL A 13 -3.371 -8.213 0.402 1.00 1.41 H new ATOM 0 HG23 VAL A 13 -4.405 -8.867 -0.890 1.00 1.41 H new ATOM 194 N GLY A 14 0.341 -10.711 -1.236 1.00 0.92 N ATOM 195 CA GLY A 14 1.330 -11.775 -1.566 1.00 0.99 C ATOM 196 C GLY A 14 1.838 -11.571 -2.995 1.00 1.01 C ATOM 197 O GLY A 14 2.720 -12.290 -3.421 1.00 1.36 O ATOM 0 H GLY A 14 0.701 -9.933 -0.684 1.00 0.92 H new ATOM 0 HA2 GLY A 14 2.163 -11.743 -0.864 1.00 0.99 H new ATOM 0 HA3 GLY A 14 0.869 -12.758 -1.469 1.00 0.99 H new ATOM 201 N VAL A 15 1.282 -10.615 -3.687 1.00 0.84 N ATOM 202 CA VAL A 15 1.732 -10.368 -5.082 1.00 1.03 C ATOM 203 C VAL A 15 2.966 -9.469 -5.080 1.00 1.07 C ATOM 204 O VAL A 15 3.044 -8.563 -5.886 1.00 1.27 O ATOM 205 CB VAL A 15 0.585 -9.676 -5.815 1.00 1.24 C ATOM 206 CG1 VAL A 15 0.919 -9.669 -7.312 1.00 1.65 C ATOM 207 CG2 VAL A 15 -0.691 -10.491 -5.624 1.00 1.58 C ATOM 0 H VAL A 15 0.542 -10.000 -3.349 1.00 0.84 H new ATOM 0 HA VAL A 15 1.995 -11.305 -5.574 1.00 1.03 H new ATOM 0 HB VAL A 15 0.448 -8.664 -5.433 1.00 1.24 H new ATOM 0 HG11 VAL A 15 0.115 -9.180 -7.862 1.00 1.65 H new ATOM 0 HG12 VAL A 15 1.851 -9.128 -7.474 1.00 1.65 H new ATOM 0 HG13 VAL A 15 1.028 -10.694 -7.665 1.00 1.65 H new ATOM 0 HG21 VAL A 15 -1.515 -10.004 -6.144 1.00 1.58 H new ATOM 0 HG22 VAL A 15 -0.547 -11.492 -6.030 1.00 1.58 H new ATOM 0 HG23 VAL A 15 -0.923 -10.560 -4.561 1.00 1.58 H new ATOM 217 N GLY A 16 3.886 -9.733 -4.193 1.00 1.25 N ATOM 218 CA GLY A 16 5.115 -8.893 -4.139 1.00 1.77 C ATOM 219 C GLY A 16 4.736 -7.461 -3.757 1.00 0.94 C ATOM 220 O GLY A 16 3.839 -6.902 -4.357 1.00 0.87 O ATOM 0 H GLY A 16 3.841 -10.488 -3.509 1.00 1.25 H new ATOM 0 HA2 GLY A 16 5.816 -9.302 -3.411 1.00 1.77 H new ATOM 0 HA3 GLY A 16 5.618 -8.902 -5.106 1.00 1.77 H new ATOM 224 N GLY A 17 5.413 -6.911 -2.786 1.00 0.99 N ATOM 225 CA GLY A 17 5.091 -5.518 -2.368 1.00 0.93 C ATOM 226 C GLY A 17 5.358 -4.565 -3.534 1.00 0.81 C ATOM 227 O GLY A 17 4.471 -3.826 -3.915 1.00 0.71 O ATOM 0 H GLY A 17 6.168 -7.361 -2.269 1.00 0.99 H new ATOM 0 HA2 GLY A 17 4.048 -5.451 -2.060 1.00 0.93 H new ATOM 0 HA3 GLY A 17 5.696 -5.236 -1.507 1.00 0.93 H new ATOM 231 N SER A 18 6.550 -4.603 -4.065 1.00 0.95 N ATOM 232 CA SER A 18 6.871 -3.702 -5.202 1.00 0.99 C ATOM 233 C SER A 18 5.781 -3.801 -6.266 1.00 0.87 C ATOM 234 O SER A 18 5.306 -2.783 -6.728 1.00 0.90 O ATOM 235 CB SER A 18 8.212 -4.161 -5.786 1.00 1.20 C ATOM 236 OG SER A 18 8.647 -5.148 -4.861 1.00 1.90 O ATOM 0 H SER A 18 7.308 -5.215 -3.762 1.00 0.95 H new ATOM 0 HA SER A 18 6.930 -2.666 -4.868 1.00 0.99 H new ATOM 0 HB2 SER A 18 8.095 -4.572 -6.789 1.00 1.20 H new ATOM 0 HB3 SER A 18 8.922 -3.337 -5.860 1.00 1.20 H new ATOM 0 HG SER A 18 9.510 -5.510 -5.151 1.00 1.90 H new ATOM 242 N VAL A 19 5.414 -5.001 -6.624 1.00 0.84 N ATOM 243 CA VAL A 19 4.356 -5.162 -7.655 1.00 0.87 C ATOM 244 C VAL A 19 3.125 -4.349 -7.262 1.00 0.79 C ATOM 245 O VAL A 19 2.710 -3.493 -8.018 1.00 0.89 O ATOM 246 CB VAL A 19 4.000 -6.648 -7.720 1.00 0.95 C ATOM 247 CG1 VAL A 19 3.369 -6.920 -9.092 1.00 1.19 C ATOM 248 CG2 VAL A 19 5.283 -7.470 -7.623 1.00 1.14 C ATOM 0 H VAL A 19 5.798 -5.869 -6.250 1.00 0.84 H new ATOM 0 HA VAL A 19 4.705 -4.809 -8.625 1.00 0.87 H new ATOM 0 HB VAL A 19 3.320 -6.911 -6.910 1.00 0.95 H new ATOM 0 HG11 VAL A 19 3.104 -7.975 -9.168 1.00 1.19 H new ATOM 0 HG12 VAL A 19 2.472 -6.311 -9.207 1.00 1.19 H new ATOM 0 HG13 VAL A 19 4.082 -6.668 -9.877 1.00 1.19 H new ATOM 0 HG21 VAL A 19 5.039 -8.531 -7.668 1.00 1.14 H new ATOM 0 HG22 VAL A 19 5.943 -7.213 -8.452 1.00 1.14 H new ATOM 0 HG23 VAL A 19 5.784 -7.253 -6.680 1.00 1.14 H new ATOM 258 N ALA A 20 2.578 -4.629 -6.110 1.00 0.67 N ATOM 259 CA ALA A 20 1.377 -3.871 -5.672 1.00 0.67 C ATOM 260 C ALA A 20 1.668 -2.374 -5.728 1.00 0.61 C ATOM 261 O ALA A 20 0.806 -1.614 -6.123 1.00 0.67 O ATOM 262 CB ALA A 20 1.071 -4.290 -4.229 1.00 0.71 C ATOM 0 H ALA A 20 2.908 -5.343 -5.461 1.00 0.67 H new ATOM 0 HA ALA A 20 0.527 -4.081 -6.321 1.00 0.67 H new ATOM 0 HB1 ALA A 20 0.193 -3.752 -3.872 1.00 0.71 H new ATOM 0 HB2 ALA A 20 0.879 -5.362 -4.195 1.00 0.71 H new ATOM 0 HB3 ALA A 20 1.924 -4.054 -3.593 1.00 0.71 H new ATOM 268 N LYS A 21 2.853 -1.991 -5.338 1.00 0.61 N ATOM 269 CA LYS A 21 3.200 -0.546 -5.369 1.00 0.64 C ATOM 270 C LYS A 21 3.092 -0.022 -6.798 1.00 0.65 C ATOM 271 O LYS A 21 2.749 1.128 -6.987 1.00 0.69 O ATOM 272 CB LYS A 21 4.644 -0.412 -4.870 1.00 0.73 C ATOM 273 CG LYS A 21 5.036 1.065 -4.953 1.00 0.87 C ATOM 274 CD LYS A 21 6.563 1.147 -4.909 1.00 1.04 C ATOM 275 CE LYS A 21 6.950 2.615 -4.720 1.00 1.24 C ATOM 276 NZ LYS A 21 6.605 3.049 -3.337 1.00 1.42 N ATOM 0 H LYS A 21 3.589 -2.612 -5.002 1.00 0.61 H new ATOM 0 HA LYS A 21 2.521 0.030 -4.740 1.00 0.64 H new ATOM 0 HB2 LYS A 21 4.728 -0.772 -3.845 1.00 0.73 H new ATOM 0 HB3 LYS A 21 5.315 -1.019 -5.477 1.00 0.73 H new ATOM 0 HG2 LYS A 21 4.656 1.510 -5.873 1.00 0.87 H new ATOM 0 HG3 LYS A 21 4.599 1.623 -4.125 1.00 0.87 H new ATOM 0 HD2 LYS A 21 6.954 0.541 -4.092 1.00 1.04 H new ATOM 0 HD3 LYS A 21 6.993 0.755 -5.831 1.00 1.04 H new ATOM 0 HE2 LYS A 21 8.017 2.746 -4.897 1.00 1.24 H new ATOM 0 HE3 LYS A 21 6.428 3.236 -5.448 1.00 1.24 H new ATOM 0 HZ1 LYS A 21 7.224 3.836 -3.056 1.00 1.42 H new ATOM 0 HZ2 LYS A 21 5.613 3.361 -3.308 1.00 1.42 H new ATOM 0 HZ3 LYS A 21 6.737 2.253 -2.680 1.00 1.42 H new ATOM 290 N ALA A 22 3.383 -0.861 -7.755 1.00 0.70 N ATOM 291 CA ALA A 22 3.297 -0.414 -9.169 1.00 0.80 C ATOM 292 C ALA A 22 1.835 -0.221 -9.560 1.00 0.77 C ATOM 293 O ALA A 22 1.516 0.752 -10.214 1.00 0.88 O ATOM 294 CB ALA A 22 3.929 -1.509 -10.037 1.00 0.94 C ATOM 0 H ALA A 22 3.674 -1.829 -7.618 1.00 0.70 H new ATOM 0 HA ALA A 22 3.818 0.534 -9.307 1.00 0.80 H new ATOM 0 HB1 ALA A 22 3.883 -1.214 -11.085 1.00 0.94 H new ATOM 0 HB2 ALA A 22 4.970 -1.650 -9.745 1.00 0.94 H new ATOM 0 HB3 ALA A 22 3.384 -2.443 -9.899 1.00 0.94 H new ATOM 300 N ILE A 23 0.993 -1.135 -9.158 1.00 0.73 N ATOM 301 CA ILE A 23 -0.446 -1.004 -9.506 1.00 0.77 C ATOM 302 C ILE A 23 -1.048 0.193 -8.773 1.00 0.68 C ATOM 303 O ILE A 23 -1.806 0.934 -9.366 1.00 0.72 O ATOM 304 CB ILE A 23 -1.144 -2.290 -9.061 1.00 0.84 C ATOM 305 CG1 ILE A 23 -0.446 -3.484 -9.706 1.00 0.98 C ATOM 306 CG2 ILE A 23 -2.585 -2.248 -9.586 1.00 1.00 C ATOM 307 CD1 ILE A 23 -1.405 -4.674 -9.649 1.00 1.13 C ATOM 0 H ILE A 23 1.239 -1.959 -8.609 1.00 0.73 H new ATOM 0 HA ILE A 23 -0.571 -0.849 -10.578 1.00 0.77 H new ATOM 0 HB ILE A 23 -1.118 -2.378 -7.975 1.00 0.84 H new ATOM 0 HG12 ILE A 23 -0.179 -3.258 -10.738 1.00 0.98 H new ATOM 0 HG13 ILE A 23 0.480 -3.715 -9.180 1.00 0.98 H new ATOM 0 HG21 ILE A 23 -3.109 -3.155 -9.283 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -3.097 -1.378 -9.174 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -2.574 -2.181 -10.674 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -0.932 -5.544 -10.104 1.00 1.13 H new ATOM 0 HD12 ILE A 23 -1.649 -4.895 -8.610 1.00 1.13 H new ATOM 0 HD13 ILE A 23 -2.318 -4.432 -10.192 1.00 1.13 H new ATOM 319 N ILE A 24 -0.703 0.352 -7.524 1.00 0.63 N ATOM 320 CA ILE A 24 -1.255 1.498 -6.755 1.00 0.59 C ATOM 321 C ILE A 24 -0.669 2.805 -7.282 1.00 0.57 C ATOM 322 O ILE A 24 -1.406 3.750 -7.480 1.00 0.61 O ATOM 323 CB ILE A 24 -0.857 1.300 -5.292 1.00 0.60 C ATOM 324 CG1 ILE A 24 -1.645 0.127 -4.718 1.00 0.80 C ATOM 325 CG2 ILE A 24 -1.263 2.562 -4.520 1.00 0.64 C ATOM 326 CD1 ILE A 24 -1.061 -0.204 -3.343 1.00 0.89 C ATOM 0 H ILE A 24 -0.068 -0.258 -7.008 1.00 0.63 H new ATOM 0 HA ILE A 24 -2.339 1.545 -6.856 1.00 0.59 H new ATOM 0 HB ILE A 24 0.214 1.112 -5.213 1.00 0.60 H new ATOM 0 HG12 ILE A 24 -2.701 0.382 -4.632 1.00 0.80 H new ATOM 0 HG13 ILE A 24 -1.578 -0.737 -5.379 1.00 0.80 H new ATOM 0 HG21 ILE A 24 -0.991 2.450 -3.470 1.00 0.64 H new ATOM 0 HG22 ILE A 24 -0.747 3.426 -4.938 1.00 0.64 H new ATOM 0 HG23 ILE A 24 -2.340 2.708 -4.602 1.00 0.64 H new ATOM 0 HD11 ILE A 24 -1.607 -1.041 -2.908 1.00 0.89 H new ATOM 0 HD12 ILE A 24 -0.010 -0.472 -3.449 1.00 0.89 H new ATOM 0 HD13 ILE A 24 -1.150 0.665 -2.691 1.00 0.89 H new ATOM 338 N GLU A 25 0.619 2.831 -7.494 1.00 0.62 N ATOM 339 CA GLU A 25 1.248 4.076 -8.007 1.00 0.69 C ATOM 340 C GLU A 25 0.802 4.324 -9.445 1.00 0.74 C ATOM 341 O GLU A 25 0.745 5.464 -9.863 1.00 0.88 O ATOM 342 CB GLU A 25 2.768 3.877 -7.958 1.00 0.80 C ATOM 343 CG GLU A 25 3.231 4.143 -6.525 1.00 0.82 C ATOM 344 CD GLU A 25 3.584 5.623 -6.370 1.00 1.11 C ATOM 345 OE1 GLU A 25 4.194 6.134 -7.294 1.00 1.74 O ATOM 346 OE2 GLU A 25 3.224 6.159 -5.335 1.00 1.60 O ATOM 0 H GLU A 25 1.256 2.050 -7.335 1.00 0.62 H new ATOM 0 HA GLU A 25 0.954 4.935 -7.404 1.00 0.69 H new ATOM 0 HB2 GLU A 25 3.030 2.863 -8.262 1.00 0.80 H new ATOM 0 HB3 GLU A 25 3.264 4.556 -8.652 1.00 0.80 H new ATOM 0 HG2 GLU A 25 2.445 3.870 -5.821 1.00 0.82 H new ATOM 0 HG3 GLU A 25 4.098 3.525 -6.291 1.00 0.82 H new ATOM 353 N ARG A 26 0.502 3.272 -10.158 1.00 0.80 N ATOM 354 CA ARG A 26 0.061 3.446 -11.566 1.00 0.90 C ATOM 355 C ARG A 26 -1.394 3.908 -11.599 1.00 0.81 C ATOM 356 O ARG A 26 -1.745 4.710 -12.442 1.00 0.85 O ATOM 357 CB ARG A 26 0.193 2.084 -12.259 1.00 1.06 C ATOM 358 CG ARG A 26 1.465 2.110 -13.109 1.00 1.55 C ATOM 359 CD ARG A 26 1.281 1.124 -14.263 1.00 2.08 C ATOM 360 NE ARG A 26 2.088 -0.093 -13.966 1.00 2.59 N ATOM 361 CZ ARG A 26 3.180 -0.319 -14.645 1.00 3.14 C ATOM 362 NH1 ARG A 26 3.227 0.035 -15.900 1.00 3.65 N ATOM 363 NH2 ARG A 26 4.188 -0.892 -14.045 1.00 3.70 N ATOM 0 H ARG A 26 0.544 2.308 -9.827 1.00 0.80 H new ATOM 0 HA ARG A 26 0.669 4.196 -12.072 1.00 0.90 H new ATOM 0 HB2 ARG A 26 0.244 1.284 -11.521 1.00 1.06 H new ATOM 0 HB3 ARG A 26 -0.679 1.887 -12.883 1.00 1.06 H new ATOM 0 HG2 ARG A 26 1.648 3.114 -13.491 1.00 1.55 H new ATOM 0 HG3 ARG A 26 2.331 1.835 -12.507 1.00 1.55 H new ATOM 0 HD2 ARG A 26 0.229 0.864 -14.377 1.00 2.08 H new ATOM 0 HD3 ARG A 26 1.602 1.574 -15.203 1.00 2.08 H new ATOM 0 HE ARG A 26 1.790 -0.743 -13.239 1.00 2.59 H new ATOM 0 HH11 ARG A 26 2.419 0.480 -16.335 1.00 3.65 H new ATOM 0 HH12 ARG A 26 4.072 -0.134 -16.446 1.00 3.65 H new ATOM 0 HH21 ARG A 26 4.114 -1.155 -13.062 1.00 3.70 H new ATOM 0 HH22 ARG A 26 5.049 -1.077 -14.559 1.00 3.70 H new ATOM 377 N GLN A 27 -2.193 3.404 -10.699 1.00 0.76 N ATOM 378 CA GLN A 27 -3.621 3.815 -10.679 1.00 0.75 C ATOM 379 C GLN A 27 -3.751 5.207 -10.067 1.00 0.69 C ATOM 380 O GLN A 27 -4.520 6.006 -10.562 1.00 0.78 O ATOM 381 CB GLN A 27 -4.381 2.797 -9.823 1.00 0.78 C ATOM 382 CG GLN A 27 -5.877 3.057 -10.004 1.00 0.89 C ATOM 383 CD GLN A 27 -6.381 2.304 -11.236 1.00 1.37 C ATOM 384 OE1 GLN A 27 -5.758 1.350 -11.658 1.00 1.83 O ATOM 385 NE2 GLN A 27 -7.478 2.690 -11.828 1.00 2.05 N ATOM 0 H GLN A 27 -1.920 2.731 -9.983 1.00 0.76 H new ATOM 0 HA GLN A 27 -4.027 3.846 -11.690 1.00 0.75 H new ATOM 0 HB2 GLN A 27 -4.131 1.780 -10.126 1.00 0.78 H new ATOM 0 HB3 GLN A 27 -4.101 2.895 -8.774 1.00 0.78 H new ATOM 0 HG2 GLN A 27 -6.423 2.733 -9.118 1.00 0.89 H new ATOM 0 HG3 GLN A 27 -6.060 4.125 -10.118 1.00 0.89 H new ATOM 0 HE21 GLN A 27 -7.996 3.492 -11.469 1.00 2.05 H new ATOM 0 HE22 GLN A 27 -7.817 2.190 -12.650 1.00 2.05 H new ATOM 394 N ASN A 28 -3.012 5.461 -9.022 1.00 0.66 N ATOM 395 CA ASN A 28 -3.092 6.798 -8.378 1.00 0.67 C ATOM 396 C ASN A 28 -1.699 7.416 -8.291 1.00 0.67 C ATOM 397 O ASN A 28 -1.103 7.422 -7.232 1.00 0.62 O ATOM 398 CB ASN A 28 -3.662 6.595 -6.969 1.00 0.68 C ATOM 399 CG ASN A 28 -4.302 7.898 -6.486 1.00 0.81 C ATOM 400 OD1 ASN A 28 -3.760 8.960 -6.720 1.00 1.21 O ATOM 401 ND2 ASN A 28 -5.426 7.861 -5.824 1.00 0.78 N ATOM 0 H ASN A 28 -2.361 4.805 -8.590 1.00 0.66 H new ATOM 0 HA ASN A 28 -3.727 7.468 -8.958 1.00 0.67 H new ATOM 0 HB2 ASN A 28 -4.402 5.795 -6.976 1.00 0.68 H new ATOM 0 HB3 ASN A 28 -2.870 6.291 -6.285 1.00 0.68 H new ATOM 0 HD21 ASN A 28 -5.855 8.727 -5.499 1.00 0.78 H new ATOM 0 HD22 ASN A 28 -5.875 6.966 -5.631 1.00 0.78 H new ATOM 408 N PRO A 29 -1.232 7.914 -9.403 1.00 0.78 N ATOM 409 CA PRO A 29 0.094 8.546 -9.488 1.00 0.90 C ATOM 410 C PRO A 29 0.188 9.735 -8.531 1.00 0.95 C ATOM 411 O PRO A 29 1.214 10.385 -8.493 1.00 1.07 O ATOM 412 CB PRO A 29 0.185 9.018 -10.953 1.00 1.07 C ATOM 413 CG PRO A 29 -0.989 8.353 -11.718 1.00 1.04 C ATOM 414 CD PRO A 29 -1.992 7.876 -10.661 1.00 0.88 C ATOM 0 HA PRO A 29 0.902 7.869 -9.212 1.00 0.90 H new ATOM 0 HB2 PRO A 29 0.118 10.104 -11.013 1.00 1.07 H new ATOM 0 HB3 PRO A 29 1.141 8.733 -11.391 1.00 1.07 H new ATOM 0 HG2 PRO A 29 -1.456 9.062 -12.402 1.00 1.04 H new ATOM 0 HG3 PRO A 29 -0.634 7.516 -12.320 1.00 1.04 H new ATOM 0 HD2 PRO A 29 -2.866 8.526 -10.619 1.00 0.88 H new ATOM 0 HD3 PRO A 29 -2.353 6.871 -10.879 1.00 0.88 H new ATOM 422 N ASN A 30 -0.860 9.990 -7.796 1.00 0.92 N ATOM 423 CA ASN A 30 -0.824 11.135 -6.848 1.00 1.05 C ATOM 424 C ASN A 30 -0.808 10.624 -5.409 1.00 0.97 C ATOM 425 O ASN A 30 -1.113 11.380 -4.507 1.00 1.15 O ATOM 426 CB ASN A 30 -2.088 11.969 -7.091 1.00 1.10 C ATOM 427 CG ASN A 30 -1.807 13.022 -8.164 1.00 1.31 C ATOM 428 OD1 ASN A 30 -2.677 13.809 -8.481 1.00 1.73 O ATOM 429 ND2 ASN A 30 -0.634 13.070 -8.734 1.00 1.87 N ATOM 0 H ASN A 30 -1.731 9.460 -7.811 1.00 0.92 H new ATOM 0 HA ASN A 30 0.072 11.735 -7.005 1.00 1.05 H new ATOM 0 HB2 ASN A 30 -2.907 11.323 -7.406 1.00 1.10 H new ATOM 0 HB3 ASN A 30 -2.401 12.452 -6.165 1.00 1.10 H new ATOM 0 HD21 ASN A 30 -0.443 13.771 -9.450 1.00 1.87 H new ATOM 0 HD22 ASN A 30 0.092 12.407 -8.463 1.00 1.87 H new ATOM 436 N VAL A 31 -0.460 9.379 -5.226 1.00 0.83 N ATOM 437 CA VAL A 31 -0.427 8.828 -3.845 1.00 0.81 C ATOM 438 C VAL A 31 0.801 7.937 -3.669 1.00 0.85 C ATOM 439 O VAL A 31 1.171 7.243 -4.595 1.00 1.04 O ATOM 440 CB VAL A 31 -1.699 8.001 -3.650 1.00 0.86 C ATOM 441 CG1 VAL A 31 -2.885 8.836 -4.152 1.00 1.04 C ATOM 442 CG2 VAL A 31 -1.612 6.746 -4.514 1.00 0.96 C ATOM 0 H VAL A 31 -0.200 8.727 -5.966 1.00 0.83 H new ATOM 0 HA VAL A 31 -0.374 9.633 -3.112 1.00 0.81 H new ATOM 0 HB VAL A 31 -1.818 7.731 -2.601 1.00 0.86 H new ATOM 0 HG11 VAL A 31 -3.808 8.270 -4.025 1.00 1.04 H new ATOM 0 HG12 VAL A 31 -2.946 9.762 -3.581 1.00 1.04 H new ATOM 0 HG13 VAL A 31 -2.745 9.069 -5.207 1.00 1.04 H new ATOM 0 HG21 VAL A 31 -2.515 6.150 -4.382 1.00 0.96 H new ATOM 0 HG22 VAL A 31 -1.516 7.031 -5.562 1.00 0.96 H new ATOM 0 HG23 VAL A 31 -0.743 6.159 -4.217 1.00 0.96 H new ATOM 452 N LYS A 32 1.394 7.975 -2.507 1.00 0.92 N ATOM 453 CA LYS A 32 2.595 7.132 -2.271 1.00 1.12 C ATOM 454 C LYS A 32 2.231 5.947 -1.379 1.00 0.91 C ATOM 455 O LYS A 32 1.146 5.926 -0.832 1.00 1.18 O ATOM 456 CB LYS A 32 3.641 8.009 -1.572 1.00 1.64 C ATOM 457 CG LYS A 32 5.015 7.381 -1.810 1.00 2.17 C ATOM 458 CD LYS A 32 6.029 8.516 -1.967 1.00 2.73 C ATOM 459 CE LYS A 32 5.547 9.422 -3.101 1.00 3.29 C ATOM 460 NZ LYS A 32 6.636 10.364 -3.485 1.00 3.91 N ATOM 0 H LYS A 32 1.100 8.550 -1.717 1.00 0.92 H new ATOM 0 HA LYS A 32 2.984 6.744 -3.212 1.00 1.12 H new ATOM 0 HB2 LYS A 32 3.612 9.025 -1.966 1.00 1.64 H new ATOM 0 HB3 LYS A 32 3.431 8.075 -0.504 1.00 1.64 H new ATOM 0 HG2 LYS A 32 5.290 6.736 -0.975 1.00 2.17 H new ATOM 0 HG3 LYS A 32 5.000 6.757 -2.703 1.00 2.17 H new ATOM 0 HD2 LYS A 32 6.117 9.080 -1.039 1.00 2.73 H new ATOM 0 HD3 LYS A 32 7.018 8.116 -2.192 1.00 2.73 H new ATOM 0 HE2 LYS A 32 5.253 8.820 -3.961 1.00 3.29 H new ATOM 0 HE3 LYS A 32 4.665 9.979 -2.785 1.00 3.29 H new ATOM 0 HZ1 LYS A 32 6.307 10.979 -4.256 1.00 3.91 H new ATOM 0 HZ2 LYS A 32 6.896 10.947 -2.664 1.00 3.91 H new ATOM 0 HZ3 LYS A 32 7.466 9.824 -3.803 1.00 3.91 H new ATOM 474 N ALA A 33 3.126 5.006 -1.253 1.00 0.82 N ATOM 475 CA ALA A 33 2.830 3.826 -0.398 1.00 0.89 C ATOM 476 C ALA A 33 3.973 3.599 0.589 1.00 0.93 C ATOM 477 O ALA A 33 5.064 4.081 0.359 1.00 1.17 O ATOM 478 CB ALA A 33 2.691 2.611 -1.323 1.00 1.19 C ATOM 0 H ALA A 33 4.042 5.004 -1.702 1.00 0.82 H new ATOM 0 HA ALA A 33 1.914 3.984 0.171 1.00 0.89 H new ATOM 0 HB1 ALA A 33 2.473 1.724 -0.728 1.00 1.19 H new ATOM 0 HB2 ALA A 33 1.879 2.783 -2.030 1.00 1.19 H new ATOM 0 HB3 ALA A 33 3.622 2.461 -1.870 1.00 1.19 H new ATOM 484 N VAL A 34 3.704 2.882 1.647 1.00 0.97 N ATOM 485 CA VAL A 34 4.774 2.624 2.645 1.00 1.08 C ATOM 486 C VAL A 34 4.824 1.136 2.983 1.00 1.05 C ATOM 487 O VAL A 34 3.796 0.554 3.267 1.00 1.15 O ATOM 488 CB VAL A 34 4.433 3.429 3.898 1.00 1.30 C ATOM 489 CG1 VAL A 34 5.508 3.135 4.953 1.00 1.82 C ATOM 490 CG2 VAL A 34 4.497 4.917 3.565 1.00 1.84 C ATOM 0 H VAL A 34 2.796 2.468 1.860 1.00 0.97 H new ATOM 0 HA VAL A 34 5.747 2.917 2.250 1.00 1.08 H new ATOM 0 HB VAL A 34 3.439 3.165 4.259 1.00 1.30 H new ATOM 0 HG11 VAL A 34 5.290 3.697 5.861 1.00 1.82 H new ATOM 0 HG12 VAL A 34 5.514 2.069 5.179 1.00 1.82 H new ATOM 0 HG13 VAL A 34 6.485 3.430 4.569 1.00 1.82 H new ATOM 0 HG21 VAL A 34 4.255 5.500 4.454 1.00 1.84 H new ATOM 0 HG22 VAL A 34 5.502 5.171 3.227 1.00 1.84 H new ATOM 0 HG23 VAL A 34 3.780 5.144 2.776 1.00 1.84 H new ATOM 500 N ILE A 35 5.996 0.563 2.945 1.00 1.07 N ATOM 501 CA ILE A 35 6.113 -0.885 3.264 1.00 1.09 C ATOM 502 C ILE A 35 6.327 -1.071 4.764 1.00 1.13 C ATOM 503 O ILE A 35 7.124 -0.360 5.343 1.00 1.33 O ATOM 504 CB ILE A 35 7.320 -1.424 2.495 1.00 1.23 C ATOM 505 CG1 ILE A 35 7.137 -1.126 1.009 1.00 1.25 C ATOM 506 CG2 ILE A 35 7.347 -2.948 2.668 1.00 1.43 C ATOM 507 CD1 ILE A 35 8.045 -2.074 0.225 1.00 1.55 C ATOM 0 H ILE A 35 6.870 1.032 2.709 1.00 1.07 H new ATOM 0 HA ILE A 35 5.205 -1.418 2.981 1.00 1.09 H new ATOM 0 HB ILE A 35 8.238 -0.965 2.863 1.00 1.23 H new ATOM 0 HG12 ILE A 35 6.096 -1.266 0.717 1.00 1.25 H new ATOM 0 HG13 ILE A 35 7.392 -0.088 0.794 1.00 1.25 H new ATOM 0 HG21 ILE A 35 8.200 -3.360 2.129 1.00 1.43 H new ATOM 0 HG22 ILE A 35 7.434 -3.193 3.727 1.00 1.43 H new ATOM 0 HG23 ILE A 35 6.426 -3.376 2.272 1.00 1.43 H new ATOM 0 HD11 ILE A 35 7.935 -1.883 -0.843 1.00 1.55 H new ATOM 0 HD12 ILE A 35 9.082 -1.910 0.518 1.00 1.55 H new ATOM 0 HD13 ILE A 35 7.766 -3.106 0.440 1.00 1.55 H new ATOM 519 N LEU A 36 5.626 -2.003 5.350 1.00 1.03 N ATOM 520 CA LEU A 36 5.792 -2.230 6.810 1.00 1.11 C ATOM 521 C LEU A 36 5.448 -3.678 7.157 1.00 1.12 C ATOM 522 O LEU A 36 4.638 -4.278 6.478 1.00 1.10 O ATOM 523 CB LEU A 36 4.833 -1.278 7.534 1.00 1.11 C ATOM 524 CG LEU A 36 3.570 -1.151 6.689 1.00 1.08 C ATOM 525 CD1 LEU A 36 2.651 -2.329 7.037 1.00 1.15 C ATOM 526 CD2 LEU A 36 2.844 0.136 7.070 1.00 1.24 C ATOM 0 H LEU A 36 4.952 -2.611 4.885 1.00 1.03 H new ATOM 0 HA LEU A 36 6.822 -2.044 7.113 1.00 1.11 H new ATOM 0 HB2 LEU A 36 4.592 -1.661 8.525 1.00 1.11 H new ATOM 0 HB3 LEU A 36 5.298 -0.302 7.674 1.00 1.11 H new ATOM 0 HG LEU A 36 3.824 -1.143 5.629 1.00 1.08 H new ATOM 0 HD11 LEU A 36 1.737 -2.264 6.446 1.00 1.15 H new ATOM 0 HD12 LEU A 36 3.161 -3.266 6.815 1.00 1.15 H new ATOM 0 HD13 LEU A 36 2.401 -2.294 8.097 1.00 1.15 H new ATOM 0 HD21 LEU A 36 1.939 0.235 6.470 1.00 1.24 H new ATOM 0 HD22 LEU A 36 2.577 0.104 8.126 1.00 1.24 H new ATOM 0 HD23 LEU A 36 3.496 0.990 6.886 1.00 1.24 H new ATOM 538 N GLU A 37 6.059 -4.196 8.187 1.00 1.20 N ATOM 539 CA GLU A 37 5.771 -5.600 8.579 1.00 1.24 C ATOM 540 C GLU A 37 4.469 -5.663 9.376 1.00 1.22 C ATOM 541 O GLU A 37 3.775 -4.670 9.463 1.00 1.31 O ATOM 542 CB GLU A 37 6.938 -6.081 9.451 1.00 1.41 C ATOM 543 CG GLU A 37 8.107 -6.421 8.526 1.00 1.95 C ATOM 544 CD GLU A 37 9.012 -7.451 9.204 1.00 2.44 C ATOM 545 OE1 GLU A 37 9.258 -7.262 10.384 1.00 2.83 O ATOM 546 OE2 GLU A 37 9.406 -8.369 8.504 1.00 2.95 O ATOM 0 H GLU A 37 6.741 -3.710 8.769 1.00 1.20 H new ATOM 0 HA GLU A 37 5.662 -6.230 7.696 1.00 1.24 H new ATOM 0 HB2 GLU A 37 7.227 -5.307 10.162 1.00 1.41 H new ATOM 0 HB3 GLU A 37 6.645 -6.955 10.032 1.00 1.41 H new ATOM 0 HG2 GLU A 37 7.734 -6.815 7.581 1.00 1.95 H new ATOM 0 HG3 GLU A 37 8.674 -5.520 8.293 1.00 1.95 H new ATOM 553 N GLU A 38 4.173 -6.808 9.929 1.00 1.28 N ATOM 554 CA GLU A 38 2.920 -6.938 10.718 1.00 1.29 C ATOM 555 C GLU A 38 3.213 -6.713 12.199 1.00 1.39 C ATOM 556 O GLU A 38 4.362 -6.758 12.592 1.00 1.86 O ATOM 557 CB GLU A 38 2.390 -8.361 10.501 1.00 1.71 C ATOM 558 CG GLU A 38 0.957 -8.416 11.034 1.00 2.05 C ATOM 559 CD GLU A 38 0.281 -9.699 10.548 1.00 2.66 C ATOM 560 OE1 GLU A 38 0.117 -9.801 9.343 1.00 3.29 O ATOM 561 OE2 GLU A 38 -0.034 -10.505 11.408 1.00 3.02 O ATOM 0 H GLU A 38 4.742 -7.652 9.868 1.00 1.28 H new ATOM 0 HA GLU A 38 2.185 -6.199 10.400 1.00 1.29 H new ATOM 0 HB2 GLU A 38 2.413 -8.619 9.442 1.00 1.71 H new ATOM 0 HB3 GLU A 38 3.018 -9.085 11.020 1.00 1.71 H new ATOM 0 HG2 GLU A 38 0.961 -8.385 12.124 1.00 2.05 H new ATOM 0 HG3 GLU A 38 0.397 -7.545 10.693 1.00 2.05 H new ATOM 568 N GLY A 39 2.189 -6.481 12.974 1.00 1.71 N ATOM 569 CA GLY A 39 2.410 -6.253 14.430 1.00 2.09 C ATOM 570 C GLY A 39 1.076 -5.909 15.098 1.00 1.86 C ATOM 571 O GLY A 39 0.685 -6.585 16.028 1.00 2.02 O ATOM 0 H GLY A 39 1.218 -6.440 12.666 1.00 1.71 H new ATOM 0 HA2 GLY A 39 2.840 -7.144 14.888 1.00 2.09 H new ATOM 0 HA3 GLY A 39 3.124 -5.443 14.578 1.00 2.09 H new ATOM 575 N THR A 40 0.423 -4.886 14.617 1.00 1.90 N ATOM 576 CA THR A 40 -0.878 -4.502 15.222 1.00 2.19 C ATOM 577 C THR A 40 -1.987 -5.410 14.688 1.00 2.18 C ATOM 578 O THR A 40 -1.886 -5.889 13.576 1.00 1.99 O ATOM 579 CB THR A 40 -1.158 -3.051 14.819 1.00 2.47 C ATOM 580 OG1 THR A 40 -0.021 -2.661 14.069 1.00 3.03 O ATOM 581 CG2 THR A 40 -1.125 -2.137 16.048 1.00 2.97 C ATOM 0 H THR A 40 0.733 -4.306 13.838 1.00 1.90 H new ATOM 0 HA THR A 40 -0.844 -4.603 16.307 1.00 2.19 H new ATOM 0 HB THR A 40 -2.118 -2.979 14.308 1.00 2.47 H new ATOM 0 HG1 THR A 40 -0.252 -2.629 13.117 1.00 3.03 H new ATOM 0 HG21 THR A 40 -1.326 -1.110 15.743 1.00 2.97 H new ATOM 0 HG22 THR A 40 -1.884 -2.459 16.761 1.00 2.97 H new ATOM 0 HG23 THR A 40 -0.142 -2.191 16.515 1.00 2.97 H new ATOM 589 N PRO A 41 -3.003 -5.619 15.488 1.00 2.79 N ATOM 590 CA PRO A 41 -4.137 -6.471 15.099 1.00 3.28 C ATOM 591 C PRO A 41 -4.788 -5.940 13.823 1.00 3.33 C ATOM 592 O PRO A 41 -5.462 -4.931 13.875 1.00 3.74 O ATOM 593 CB PRO A 41 -5.110 -6.363 16.289 1.00 4.03 C ATOM 594 CG PRO A 41 -4.331 -5.696 17.452 1.00 4.05 C ATOM 595 CD PRO A 41 -3.098 -5.024 16.833 1.00 3.33 C ATOM 0 HA PRO A 41 -3.841 -7.499 14.891 1.00 3.28 H new ATOM 0 HB2 PRO A 41 -5.984 -5.770 16.020 1.00 4.03 H new ATOM 0 HB3 PRO A 41 -5.472 -7.349 16.582 1.00 4.03 H new ATOM 0 HG2 PRO A 41 -4.954 -4.963 17.964 1.00 4.05 H new ATOM 0 HG3 PRO A 41 -4.035 -6.437 18.194 1.00 4.05 H new ATOM 0 HD2 PRO A 41 -3.217 -3.942 16.783 1.00 3.33 H new ATOM 0 HD3 PRO A 41 -2.200 -5.219 17.420 1.00 3.33 H new ATOM 603 N VAL A 42 -4.578 -6.617 12.727 1.00 3.21 N ATOM 604 CA VAL A 42 -5.186 -6.149 11.454 1.00 3.55 C ATOM 605 C VAL A 42 -6.418 -6.989 11.126 1.00 4.33 C ATOM 606 O VAL A 42 -6.557 -8.073 11.657 1.00 4.54 O ATOM 607 CB VAL A 42 -4.136 -6.316 10.355 1.00 3.34 C ATOM 608 CG1 VAL A 42 -4.353 -5.201 9.324 1.00 3.40 C ATOM 609 CG2 VAL A 42 -2.749 -6.129 10.962 1.00 3.22 C ATOM 0 H VAL A 42 -4.017 -7.466 12.660 1.00 3.21 H new ATOM 0 HA VAL A 42 -5.495 -5.107 11.536 1.00 3.55 H new ATOM 0 HB VAL A 42 -4.219 -7.302 9.898 1.00 3.34 H new ATOM 0 HG11 VAL A 42 -3.616 -5.295 8.526 1.00 3.40 H new ATOM 0 HG12 VAL A 42 -5.355 -5.284 8.904 1.00 3.40 H new ATOM 0 HG13 VAL A 42 -4.242 -4.231 9.808 1.00 3.40 H new ATOM 0 HG21 VAL A 42 -1.993 -6.246 10.185 1.00 3.22 H new ATOM 0 HG22 VAL A 42 -2.673 -5.132 11.395 1.00 3.22 H new ATOM 0 HG23 VAL A 42 -2.589 -6.875 11.740 1.00 3.22 H new ATOM 619 N THR A 43 -7.267 -6.482 10.275 1.00 4.96 N ATOM 620 CA THR A 43 -8.486 -7.252 9.915 1.00 5.81 C ATOM 621 C THR A 43 -8.117 -8.709 9.643 1.00 6.28 C ATOM 622 O THR A 43 -7.553 -8.996 8.606 1.00 6.46 O ATOM 623 CB THR A 43 -9.072 -6.618 8.650 1.00 6.45 C ATOM 624 OG1 THR A 43 -10.004 -7.571 8.168 1.00 6.54 O ATOM 625 CG2 THR A 43 -8.010 -6.545 7.548 1.00 7.09 C ATOM 0 H THR A 43 -7.169 -5.575 9.818 1.00 4.96 H new ATOM 0 HA THR A 43 -9.211 -7.229 10.728 1.00 5.81 H new ATOM 0 HB THR A 43 -9.471 -5.628 8.872 1.00 6.45 H new ATOM 0 HG1 THR A 43 -10.426 -7.232 7.351 1.00 6.54 H new ATOM 0 HG21 THR A 43 -8.442 -6.092 6.656 1.00 7.09 H new ATOM 0 HG22 THR A 43 -7.170 -5.941 7.891 1.00 7.09 H new ATOM 0 HG23 THR A 43 -7.661 -7.550 7.312 1.00 7.09 H new ATOM 633 N LYS A 44 -8.438 -9.578 10.562 1.00 6.76 N ATOM 634 CA LYS A 44 -8.106 -11.012 10.357 1.00 7.44 C ATOM 635 C LYS A 44 -8.854 -11.550 9.139 1.00 7.88 C ATOM 636 O LYS A 44 -9.161 -10.732 8.288 1.00 8.19 O ATOM 637 CB LYS A 44 -8.549 -11.768 11.616 1.00 7.96 C ATOM 638 CG LYS A 44 -7.565 -11.430 12.737 1.00 8.04 C ATOM 639 CD LYS A 44 -8.366 -11.251 14.028 1.00 8.62 C ATOM 640 CE LYS A 44 -9.472 -12.308 14.045 1.00 9.20 C ATOM 641 NZ LYS A 44 -10.803 -11.640 14.065 1.00 9.31 N ATOM 642 OXT LYS A 44 -9.077 -12.749 9.127 1.00 8.12 O ATOM 0 H LYS A 44 -8.912 -9.358 11.438 1.00 6.76 H new ATOM 0 HA LYS A 44 -7.037 -11.140 10.185 1.00 7.44 H new ATOM 0 HB2 LYS A 44 -9.562 -11.480 11.898 1.00 7.96 H new ATOM 0 HB3 LYS A 44 -8.563 -12.842 11.431 1.00 7.96 H new ATOM 0 HG2 LYS A 44 -6.829 -12.226 12.852 1.00 8.04 H new ATOM 0 HG3 LYS A 44 -7.015 -10.519 12.500 1.00 8.04 H new ATOM 0 HD2 LYS A 44 -7.718 -11.362 14.898 1.00 8.62 H new ATOM 0 HD3 LYS A 44 -8.794 -10.250 14.076 1.00 8.62 H new ATOM 0 HE2 LYS A 44 -9.389 -12.949 13.168 1.00 9.20 H new ATOM 0 HE3 LYS A 44 -9.363 -12.949 14.920 1.00 9.20 H new ATOM 0 HZ1 LYS A 44 -11.518 -12.279 13.662 1.00 9.31 H new ATOM 0 HZ2 LYS A 44 -11.060 -11.408 15.046 1.00 9.31 H new ATOM 0 HZ3 LYS A 44 -10.762 -10.767 13.502 1.00 9.31 H new TER 656 LYS A 44 ATOM 657 N ASP B 45 -1.802 8.879 10.260 1.00 5.64 N ATOM 658 CA ASP B 45 -2.066 9.800 9.125 1.00 5.03 C ATOM 659 C ASP B 45 -2.344 8.980 7.867 1.00 4.15 C ATOM 660 O ASP B 45 -1.515 8.954 6.979 1.00 4.37 O ATOM 661 CB ASP B 45 -0.831 10.682 8.903 1.00 5.64 C ATOM 662 CG ASP B 45 -1.113 11.686 7.783 1.00 6.49 C ATOM 663 OD1 ASP B 45 -2.178 11.563 7.202 1.00 6.88 O ATOM 664 OD2 ASP B 45 -0.246 12.519 7.573 1.00 6.96 O ATOM 0 HA ASP B 45 -2.930 10.428 9.345 1.00 5.03 H new ATOM 0 HB2 ASP B 45 -0.578 11.209 9.823 1.00 5.64 H new ATOM 0 HB3 ASP B 45 0.028 10.064 8.643 1.00 5.64 H new ATOM 671 N PHE B 46 -3.481 8.341 7.820 1.00 3.64 N ATOM 672 CA PHE B 46 -3.810 7.524 6.622 1.00 3.23 C ATOM 673 C PHE B 46 -4.764 8.296 5.713 1.00 2.27 C ATOM 674 O PHE B 46 -5.963 8.174 5.869 1.00 2.44 O ATOM 675 CB PHE B 46 -4.486 6.240 7.116 1.00 3.95 C ATOM 676 CG PHE B 46 -4.694 6.322 8.629 1.00 4.57 C ATOM 677 CD1 PHE B 46 -5.719 7.087 9.155 1.00 5.01 C ATOM 678 CD2 PHE B 46 -3.859 5.635 9.490 1.00 5.16 C ATOM 679 CE1 PHE B 46 -5.906 7.163 10.520 1.00 5.87 C ATOM 680 CE2 PHE B 46 -4.046 5.711 10.855 1.00 6.02 C ATOM 681 CZ PHE B 46 -5.069 6.475 11.370 1.00 6.31 C ATOM 0 H PHE B 46 -4.190 8.350 8.553 1.00 3.64 H new ATOM 0 HA PHE B 46 -2.909 7.292 6.054 1.00 3.23 H new ATOM 0 HB2 PHE B 46 -5.444 6.104 6.613 1.00 3.95 H new ATOM 0 HB3 PHE B 46 -3.871 5.375 6.869 1.00 3.95 H new ATOM 0 HD1 PHE B 46 -6.378 7.629 8.493 1.00 5.01 H new ATOM 0 HD2 PHE B 46 -3.055 5.035 9.092 1.00 5.16 H new ATOM 0 HE1 PHE B 46 -6.709 7.762 10.922 1.00 5.87 H new ATOM 0 HE2 PHE B 46 -3.389 5.170 11.520 1.00 6.02 H new ATOM 0 HZ PHE B 46 -5.215 6.535 12.438 1.00 6.31 H new ATOM 691 N ARG B 47 -4.223 9.057 4.802 1.00 1.79 N ATOM 692 CA ARG B 47 -5.099 9.834 3.886 1.00 1.28 C ATOM 693 C ARG B 47 -5.193 9.129 2.535 1.00 1.05 C ATOM 694 O ARG B 47 -4.550 8.115 2.347 1.00 1.09 O ATOM 695 CB ARG B 47 -4.463 11.219 3.708 1.00 1.89 C ATOM 696 CG ARG B 47 -4.805 12.054 4.943 1.00 2.46 C ATOM 697 CD ARG B 47 -6.326 12.061 5.099 1.00 3.29 C ATOM 698 NE ARG B 47 -6.919 12.572 3.832 1.00 3.86 N ATOM 699 CZ ARG B 47 -6.465 13.680 3.313 1.00 4.20 C ATOM 700 NH1 ARG B 47 -6.343 14.731 4.078 1.00 4.73 N ATOM 701 NH2 ARG B 47 -6.147 13.701 2.048 1.00 4.47 N ATOM 0 H ARG B 47 -3.220 9.173 4.654 1.00 1.79 H new ATOM 0 HA ARG B 47 -6.105 9.921 4.297 1.00 1.28 H new ATOM 0 HB2 ARG B 47 -3.383 11.131 3.594 1.00 1.89 H new ATOM 0 HB3 ARG B 47 -4.841 11.700 2.806 1.00 1.89 H new ATOM 0 HG2 ARG B 47 -4.332 11.634 5.831 1.00 2.46 H new ATOM 0 HG3 ARG B 47 -4.428 13.071 4.832 1.00 2.46 H new ATOM 0 HD2 ARG B 47 -6.691 11.056 5.312 1.00 3.29 H new ATOM 0 HD3 ARG B 47 -6.620 12.692 5.938 1.00 3.29 H new ATOM 0 HE ARG B 47 -7.673 12.061 3.374 1.00 3.86 H new ATOM 0 HH11 ARG B 47 -6.601 14.677 5.063 1.00 4.73 H new ATOM 0 HH12 ARG B 47 -5.990 15.606 3.690 1.00 4.73 H new ATOM 0 HH21 ARG B 47 -6.255 12.860 1.481 1.00 4.47 H new ATOM 0 HH22 ARG B 47 -5.791 14.558 1.626 1.00 4.47 H new ATOM 715 N CYS B 48 -5.975 9.670 1.641 1.00 0.94 N ATOM 716 CA CYS B 48 -6.109 9.030 0.306 1.00 0.89 C ATOM 717 C CYS B 48 -4.811 9.194 -0.481 1.00 0.87 C ATOM 718 O CYS B 48 -4.751 8.781 -1.622 1.00 1.10 O ATOM 719 CB CYS B 48 -7.255 9.735 -0.426 1.00 0.98 C ATOM 720 SG CYS B 48 -8.927 9.365 0.163 1.00 1.01 S ATOM 0 H CYS B 48 -6.522 10.520 1.777 1.00 0.94 H new ATOM 0 HA CYS B 48 -6.314 7.964 0.408 1.00 0.89 H new ATOM 0 HB2 CYS B 48 -7.097 10.811 -0.354 1.00 0.98 H new ATOM 0 HB3 CYS B 48 -7.198 9.474 -1.483 1.00 0.98 H new ATOM 725 N ASN B 49 -3.820 9.781 0.133 1.00 0.82 N ATOM 726 CA ASN B 49 -2.530 9.971 -0.580 1.00 0.92 C ATOM 727 C ASN B 49 -1.448 9.110 0.067 1.00 0.95 C ATOM 728 O ASN B 49 -0.284 9.298 -0.226 1.00 1.08 O ATOM 729 CB ASN B 49 -2.155 11.453 -0.463 1.00 1.05 C ATOM 730 CG ASN B 49 -1.933 11.807 1.009 1.00 1.12 C ATOM 731 OD1 ASN B 49 -2.073 10.954 1.863 1.00 1.67 O ATOM 732 ND2 ASN B 49 -1.595 13.023 1.340 1.00 1.60 N ATOM 0 H ASN B 49 -3.849 10.134 1.090 1.00 0.82 H new ATOM 0 HA ASN B 49 -2.621 9.678 -1.626 1.00 0.92 H new ATOM 0 HB2 ASN B 49 -1.252 11.657 -1.038 1.00 1.05 H new ATOM 0 HB3 ASN B 49 -2.947 12.074 -0.882 1.00 1.05 H new ATOM 0 HD21 ASN B 49 -1.447 13.262 2.320 1.00 1.60 H new ATOM 0 HD22 ASN B 49 -1.479 13.734 0.618 1.00 1.60 H new ATOM 739 N ARG B 50 -1.846 8.203 0.916 1.00 0.94 N ATOM 740 CA ARG B 50 -0.839 7.334 1.578 1.00 1.04 C ATOM 741 C ARG B 50 -1.360 5.902 1.661 1.00 0.91 C ATOM 742 O ARG B 50 -2.367 5.671 2.301 1.00 1.03 O ATOM 743 CB ARG B 50 -0.613 7.889 2.990 1.00 1.30 C ATOM 744 CG ARG B 50 0.090 9.241 2.856 1.00 1.50 C ATOM 745 CD ARG B 50 0.142 9.881 4.244 1.00 1.78 C ATOM 746 NE ARG B 50 1.004 9.032 5.113 1.00 1.82 N ATOM 747 CZ ARG B 50 2.272 9.318 5.233 1.00 2.34 C ATOM 748 NH1 ARG B 50 2.810 10.162 4.395 1.00 3.11 N ATOM 749 NH2 ARG B 50 2.958 8.750 6.186 1.00 2.64 N ATOM 0 H ARG B 50 -2.816 8.028 1.177 1.00 0.94 H new ATOM 0 HA ARG B 50 0.093 7.325 1.012 1.00 1.04 H new ATOM 0 HB2 ARG B 50 -1.563 8.003 3.512 1.00 1.30 H new ATOM 0 HB3 ARG B 50 -0.007 7.200 3.578 1.00 1.30 H new ATOM 0 HG2 ARG B 50 1.096 9.110 2.458 1.00 1.50 H new ATOM 0 HG3 ARG B 50 -0.448 9.884 2.159 1.00 1.50 H new ATOM 0 HD2 ARG B 50 0.543 10.893 4.182 1.00 1.78 H new ATOM 0 HD3 ARG B 50 -0.861 9.961 4.664 1.00 1.78 H new ATOM 0 HE ARG B 50 0.607 8.234 5.610 1.00 1.82 H new ATOM 0 HH11 ARG B 50 2.241 10.586 3.662 1.00 3.11 H new ATOM 0 HH12 ARG B 50 3.799 10.398 4.473 1.00 3.11 H new ATOM 0 HH21 ARG B 50 2.503 8.095 6.822 1.00 2.64 H new ATOM 0 HH22 ARG B 50 3.950 8.961 6.296 1.00 2.64 H new ATOM 763 N VAL B 51 -0.678 4.989 1.026 1.00 0.81 N ATOM 764 CA VAL B 51 -1.134 3.576 1.067 1.00 0.74 C ATOM 765 C VAL B 51 -0.194 2.756 1.949 1.00 0.79 C ATOM 766 O VAL B 51 0.998 2.765 1.716 1.00 0.93 O ATOM 767 CB VAL B 51 -1.101 3.042 -0.366 1.00 0.64 C ATOM 768 CG1 VAL B 51 -2.030 1.823 -0.436 1.00 0.69 C ATOM 769 CG2 VAL B 51 -1.658 4.109 -1.304 1.00 0.75 C ATOM 0 H VAL B 51 0.169 5.161 0.485 1.00 0.81 H new ATOM 0 HA VAL B 51 -2.140 3.506 1.480 1.00 0.74 H new ATOM 0 HB VAL B 51 -0.082 2.781 -0.650 1.00 0.64 H new ATOM 0 HG11 VAL B 51 -2.026 1.420 -1.449 1.00 0.69 H new ATOM 0 HG12 VAL B 51 -1.681 1.059 0.259 1.00 0.69 H new ATOM 0 HG13 VAL B 51 -3.043 2.122 -0.168 1.00 0.69 H new ATOM 0 HG21 VAL B 51 -1.639 3.738 -2.329 1.00 0.75 H new ATOM 0 HG22 VAL B 51 -2.685 4.342 -1.021 1.00 0.75 H new ATOM 0 HG23 VAL B 51 -1.049 5.010 -1.233 1.00 0.75 H new ATOM 779 N ARG B 52 -0.738 2.081 2.924 1.00 0.86 N ATOM 780 CA ARG B 52 0.127 1.264 3.816 1.00 0.94 C ATOM 781 C ARG B 52 0.135 -0.190 3.350 1.00 0.91 C ATOM 782 O ARG B 52 -0.905 -0.707 2.992 1.00 1.17 O ATOM 783 CB ARG B 52 -0.459 1.354 5.231 1.00 1.11 C ATOM 784 CG ARG B 52 -0.815 2.817 5.501 1.00 1.22 C ATOM 785 CD ARG B 52 -0.859 3.018 7.017 1.00 1.36 C ATOM 786 NE ARG B 52 -0.990 4.477 7.288 1.00 1.46 N ATOM 787 CZ ARG B 52 0.084 5.216 7.353 1.00 1.61 C ATOM 788 NH1 ARG B 52 0.919 5.203 6.350 1.00 2.27 N ATOM 789 NH2 ARG B 52 0.285 5.943 8.417 1.00 1.89 N ATOM 0 H ARG B 52 -1.735 2.060 3.139 1.00 0.86 H new ATOM 0 HA ARG B 52 1.153 1.632 3.798 1.00 0.94 H new ATOM 0 HB2 ARG B 52 -1.344 0.724 5.318 1.00 1.11 H new ATOM 0 HB3 ARG B 52 0.262 0.995 5.966 1.00 1.11 H new ATOM 0 HG2 ARG B 52 -0.076 3.479 5.050 1.00 1.22 H new ATOM 0 HG3 ARG B 52 -1.779 3.064 5.055 1.00 1.22 H new ATOM 0 HD2 ARG B 52 -1.699 2.474 7.449 1.00 1.36 H new ATOM 0 HD3 ARG B 52 0.047 2.625 7.479 1.00 1.36 H new ATOM 0 HE ARG B 52 -1.911 4.895 7.422 1.00 1.46 H new ATOM 0 HH11 ARG B 52 0.727 4.622 5.534 1.00 2.27 H new ATOM 0 HH12 ARG B 52 1.764 5.774 6.382 1.00 2.27 H new ATOM 0 HH21 ARG B 52 -0.391 5.928 9.180 1.00 1.89 H new ATOM 0 HH22 ARG B 52 1.119 6.527 8.486 1.00 1.89 H new ATOM 803 N ILE B 53 1.286 -0.806 3.366 1.00 0.88 N ATOM 804 CA ILE B 53 1.364 -2.224 2.926 1.00 0.85 C ATOM 805 C ILE B 53 1.994 -3.073 4.027 1.00 0.87 C ATOM 806 O ILE B 53 3.106 -2.794 4.431 1.00 0.93 O ATOM 807 CB ILE B 53 2.239 -2.266 1.672 1.00 0.85 C ATOM 808 CG1 ILE B 53 1.630 -1.354 0.610 1.00 1.02 C ATOM 809 CG2 ILE B 53 2.215 -3.701 1.129 1.00 0.88 C ATOM 810 CD1 ILE B 53 2.749 -0.932 -0.343 1.00 1.09 C ATOM 0 H ILE B 53 2.169 -0.390 3.663 1.00 0.88 H new ATOM 0 HA ILE B 53 0.370 -2.619 2.715 1.00 0.85 H new ATOM 0 HB ILE B 53 3.254 -1.947 1.908 1.00 0.85 H new ATOM 0 HG12 ILE B 53 0.842 -1.875 0.066 1.00 1.02 H new ATOM 0 HG13 ILE B 53 1.174 -0.480 1.074 1.00 1.02 H new ATOM 0 HG21 ILE B 53 2.832 -3.761 0.232 1.00 0.88 H new ATOM 0 HG22 ILE B 53 2.606 -4.383 1.885 1.00 0.88 H new ATOM 0 HG23 ILE B 53 1.190 -3.980 0.884 1.00 0.88 H new ATOM 0 HD11 ILE B 53 2.343 -0.278 -1.115 1.00 1.09 H new ATOM 0 HD12 ILE B 53 3.520 -0.400 0.214 1.00 1.09 H new ATOM 0 HD13 ILE B 53 3.183 -1.817 -0.809 1.00 1.09 H new ATOM 822 N TRP B 54 1.287 -4.072 4.481 1.00 0.89 N ATOM 823 CA TRP B 54 1.848 -4.935 5.554 1.00 0.97 C ATOM 824 C TRP B 54 2.530 -6.157 4.944 1.00 0.90 C ATOM 825 O TRP B 54 2.152 -6.576 3.868 1.00 0.87 O ATOM 826 CB TRP B 54 0.681 -5.383 6.441 1.00 1.11 C ATOM 827 CG TRP B 54 -0.045 -4.155 6.992 1.00 1.12 C ATOM 828 CD1 TRP B 54 -1.002 -3.466 6.346 1.00 1.38 C ATOM 829 CD2 TRP B 54 0.171 -3.618 8.187 1.00 0.99 C ATOM 830 NE1 TRP B 54 -1.336 -2.507 7.212 1.00 1.33 N ATOM 831 CE2 TRP B 54 -0.653 -2.529 8.387 1.00 1.11 C ATOM 832 CE3 TRP B 54 1.058 -4.004 9.170 1.00 0.90 C ATOM 833 CZ2 TRP B 54 -0.589 -1.826 9.573 1.00 1.09 C ATOM 834 CZ3 TRP B 54 1.122 -3.302 10.355 1.00 1.00 C ATOM 835 CH2 TRP B 54 0.299 -2.214 10.557 1.00 1.06 C ATOM 0 H TRP B 54 0.353 -4.325 4.157 1.00 0.89 H new ATOM 0 HA TRP B 54 2.589 -4.386 6.135 1.00 0.97 H new ATOM 0 HB2 TRP B 54 -0.010 -5.999 5.866 1.00 1.11 H new ATOM 0 HB3 TRP B 54 1.050 -5.998 7.261 1.00 1.11 H new ATOM 0 HD1 TRP B 54 -1.405 -3.646 5.360 1.00 1.38 H new ATOM 0 HE1 TRP B 54 -2.051 -1.809 7.007 1.00 1.33 H new ATOM 0 HE3 TRP B 54 1.702 -4.856 9.012 1.00 0.90 H new ATOM 0 HZ2 TRP B 54 -1.233 -0.973 9.731 1.00 1.09 H new ATOM 0 HZ3 TRP B 54 1.817 -3.604 11.125 1.00 1.00 H new ATOM 0 HH2 TRP B 54 0.349 -1.665 11.486 1.00 1.06 H new ATOM 846 N VAL B 55 3.502 -6.691 5.632 1.00 0.93 N ATOM 847 CA VAL B 55 4.208 -7.884 5.096 1.00 0.91 C ATOM 848 C VAL B 55 4.356 -8.936 6.193 1.00 1.00 C ATOM 849 O VAL B 55 4.907 -8.637 7.233 1.00 1.12 O ATOM 850 CB VAL B 55 5.590 -7.426 4.626 1.00 0.95 C ATOM 851 CG1 VAL B 55 5.398 -6.199 3.725 1.00 0.94 C ATOM 852 CG2 VAL B 55 6.408 -6.992 5.839 1.00 1.09 C ATOM 0 H VAL B 55 3.834 -6.354 6.536 1.00 0.93 H new ATOM 0 HA VAL B 55 3.647 -8.325 4.272 1.00 0.91 H new ATOM 0 HB VAL B 55 6.096 -8.233 4.097 1.00 0.95 H new ATOM 0 HG11 VAL B 55 6.369 -5.850 3.374 1.00 0.94 H new ATOM 0 HG12 VAL B 55 4.779 -6.469 2.870 1.00 0.94 H new ATOM 0 HG13 VAL B 55 4.910 -5.405 4.290 1.00 0.94 H new ATOM 0 HG21 VAL B 55 7.395 -6.664 5.514 1.00 1.09 H new ATOM 0 HG22 VAL B 55 5.901 -6.170 6.345 1.00 1.09 H new ATOM 0 HG23 VAL B 55 6.513 -7.831 6.526 1.00 1.09 H new ATOM 862 N ASN B 56 3.869 -10.120 5.942 1.00 1.01 N ATOM 863 CA ASN B 56 3.981 -11.188 6.970 1.00 1.15 C ATOM 864 C ASN B 56 5.293 -11.948 6.792 1.00 1.19 C ATOM 865 O ASN B 56 5.577 -12.397 5.698 1.00 1.14 O ATOM 866 CB ASN B 56 2.796 -12.141 6.774 1.00 1.21 C ATOM 867 CG ASN B 56 2.645 -12.470 5.288 1.00 1.17 C ATOM 868 OD1 ASN B 56 3.502 -13.119 4.723 1.00 1.64 O ATOM 869 ND2 ASN B 56 1.595 -12.052 4.635 1.00 1.39 N ATOM 0 H ASN B 56 3.402 -10.391 5.076 1.00 1.01 H new ATOM 0 HA ASN B 56 3.969 -10.759 7.972 1.00 1.15 H new ATOM 0 HB2 ASN B 56 2.953 -13.056 7.346 1.00 1.21 H new ATOM 0 HB3 ASN B 56 1.881 -11.683 7.151 1.00 1.21 H new ATOM 0 HD21 ASN B 56 1.491 -12.270 3.644 1.00 1.39 H new ATOM 0 HD22 ASN B 56 0.879 -11.507 5.116 1.00 1.39 H new ATOM 876 N LYS B 57 6.047 -12.074 7.850 1.00 1.41 N ATOM 877 CA LYS B 57 7.338 -12.803 7.745 1.00 1.54 C ATOM 878 C LYS B 57 7.141 -14.095 6.957 1.00 1.36 C ATOM 879 O LYS B 57 8.098 -14.616 6.419 1.00 1.52 O ATOM 880 CB LYS B 57 7.797 -13.127 9.172 1.00 1.85 C ATOM 881 CG LYS B 57 8.604 -14.425 9.122 1.00 2.19 C ATOM 882 CD LYS B 57 8.979 -14.801 10.557 1.00 2.61 C ATOM 883 CE LYS B 57 10.504 -14.795 10.660 1.00 3.20 C ATOM 884 NZ LYS B 57 10.928 -13.889 11.764 1.00 3.89 N ATOM 0 H LYS B 57 5.825 -11.706 8.775 1.00 1.41 H new ATOM 0 HA LYS B 57 8.083 -12.198 7.228 1.00 1.54 H new ATOM 0 HB2 LYS B 57 8.405 -12.315 9.571 1.00 1.85 H new ATOM 0 HB3 LYS B 57 6.938 -13.237 9.834 1.00 1.85 H new ATOM 0 HG2 LYS B 57 8.019 -15.220 8.660 1.00 2.19 H new ATOM 0 HG3 LYS B 57 9.500 -14.294 8.515 1.00 2.19 H new ATOM 0 HD2 LYS B 57 8.546 -14.092 11.263 1.00 2.61 H new ATOM 0 HD3 LYS B 57 8.583 -15.785 10.810 1.00 2.61 H new ATOM 0 HE2 LYS B 57 10.870 -15.805 10.844 1.00 3.20 H new ATOM 0 HE3 LYS B 57 10.941 -14.465 9.717 1.00 3.20 H new ATOM 0 HZ1 LYS B 57 11.966 -13.887 11.832 1.00 3.89 H new ATOM 0 HZ2 LYS B 57 10.592 -12.924 11.570 1.00 3.89 H new ATOM 0 HZ3 LYS B 57 10.523 -14.223 12.662 1.00 3.89 H new ATOM 898 N ARG B 58 5.929 -14.577 6.906 1.00 1.32 N ATOM 899 CA ARG B 58 5.674 -15.833 6.153 1.00 1.36 C ATOM 900 C ARG B 58 6.242 -15.714 4.741 1.00 1.36 C ATOM 901 O ARG B 58 6.294 -16.702 4.035 1.00 1.56 O ATOM 902 CB ARG B 58 4.154 -16.030 6.090 1.00 1.75 C ATOM 903 CG ARG B 58 3.688 -16.536 7.457 1.00 2.17 C ATOM 904 CD ARG B 58 2.171 -16.721 7.398 1.00 2.44 C ATOM 905 NE ARG B 58 1.571 -15.463 6.872 1.00 2.98 N ATOM 906 CZ ARG B 58 0.289 -15.416 6.631 1.00 3.65 C ATOM 907 NH1 ARG B 58 -0.504 -16.233 7.269 1.00 4.39 N ATOM 908 NH2 ARG B 58 -0.158 -14.554 5.759 1.00 4.02 N ATOM 0 H ARG B 58 5.112 -14.158 7.350 1.00 1.32 H new ATOM 0 HA ARG B 58 6.152 -16.681 6.644 1.00 1.36 H new ATOM 0 HB2 ARG B 58 3.658 -15.092 5.841 1.00 1.75 H new ATOM 0 HB3 ARG B 58 3.894 -16.745 5.310 1.00 1.75 H new ATOM 0 HG2 ARG B 58 4.178 -17.478 7.702 1.00 2.17 H new ATOM 0 HG3 ARG B 58 3.955 -15.825 8.238 1.00 2.17 H new ATOM 0 HD2 ARG B 58 1.915 -17.563 6.755 1.00 2.44 H new ATOM 0 HD3 ARG B 58 1.776 -16.946 8.389 1.00 2.44 H new ATOM 0 HE ARG B 58 2.157 -14.646 6.702 1.00 2.98 H new ATOM 0 HH11 ARG B 58 -0.119 -16.894 7.944 1.00 4.39 H new ATOM 0 HH12 ARG B 58 -1.508 -16.210 7.093 1.00 4.39 H new ATOM 0 HH21 ARG B 58 0.491 -13.931 5.279 1.00 4.02 H new ATOM 0 HH22 ARG B 58 -1.157 -14.503 5.558 1.00 4.02 H new ATOM 922 N GLY B 59 6.648 -14.531 4.368 1.00 1.42 N ATOM 923 CA GLY B 59 7.213 -14.348 3.001 1.00 1.89 C ATOM 924 C GLY B 59 6.118 -13.829 2.068 1.00 1.37 C ATOM 925 O GLY B 59 6.124 -14.164 0.900 1.00 1.35 O ATOM 0 H GLY B 59 6.614 -13.690 4.945 1.00 1.42 H new ATOM 0 HA2 GLY B 59 8.046 -13.645 3.030 1.00 1.89 H new ATOM 0 HA3 GLY B 59 7.607 -15.293 2.628 1.00 1.89 H new ATOM 929 N LEU B 60 5.222 -13.039 2.592 1.00 1.11 N ATOM 930 CA LEU B 60 4.133 -12.502 1.734 1.00 0.85 C ATOM 931 C LEU B 60 3.887 -11.031 2.062 1.00 0.79 C ATOM 932 O LEU B 60 4.249 -10.591 3.135 1.00 0.86 O ATOM 933 CB LEU B 60 2.870 -13.321 2.032 1.00 1.08 C ATOM 934 CG LEU B 60 3.124 -14.755 1.578 1.00 1.16 C ATOM 935 CD1 LEU B 60 1.897 -15.594 1.959 1.00 1.64 C ATOM 936 CD2 LEU B 60 3.251 -14.778 0.057 1.00 1.63 C ATOM 0 H LEU B 60 5.197 -12.745 3.568 1.00 1.11 H new ATOM 0 HA LEU B 60 4.402 -12.575 0.680 1.00 0.85 H new ATOM 0 HB2 LEU B 60 2.639 -13.293 3.097 1.00 1.08 H new ATOM 0 HB3 LEU B 60 2.011 -12.901 1.509 1.00 1.08 H new ATOM 0 HG LEU B 60 4.031 -15.144 2.041 1.00 1.16 H new ATOM 0 HD11 LEU B 60 2.051 -16.627 1.646 1.00 1.64 H new ATOM 0 HD12 LEU B 60 1.754 -15.560 3.039 1.00 1.64 H new ATOM 0 HD13 LEU B 60 1.013 -15.192 1.463 1.00 1.64 H new ATOM 0 HD21 LEU B 60 3.433 -15.799 -0.278 1.00 1.63 H new ATOM 0 HD22 LEU B 60 2.329 -14.408 -0.391 1.00 1.63 H new ATOM 0 HD23 LEU B 60 4.082 -14.143 -0.248 1.00 1.63 H new ATOM 948 N VAL B 61 3.289 -10.316 1.147 1.00 0.73 N ATOM 949 CA VAL B 61 3.020 -8.877 1.405 1.00 0.69 C ATOM 950 C VAL B 61 1.520 -8.652 1.573 1.00 0.73 C ATOM 951 O VAL B 61 0.811 -8.608 0.587 1.00 0.88 O ATOM 952 CB VAL B 61 3.532 -8.093 0.195 1.00 0.67 C ATOM 953 CG1 VAL B 61 2.998 -6.659 0.305 1.00 0.78 C ATOM 954 CG2 VAL B 61 5.055 -8.030 0.253 1.00 0.88 C ATOM 0 H VAL B 61 2.978 -10.665 0.240 1.00 0.73 H new ATOM 0 HA VAL B 61 3.519 -8.548 2.317 1.00 0.69 H new ATOM 0 HB VAL B 61 3.208 -8.569 -0.730 1.00 0.67 H new ATOM 0 HG11 VAL B 61 3.347 -6.074 -0.546 1.00 0.78 H new ATOM 0 HG12 VAL B 61 1.908 -6.676 0.311 1.00 0.78 H new ATOM 0 HG13 VAL B 61 3.359 -6.206 1.229 1.00 0.78 H new ATOM 0 HG21 VAL B 61 5.429 -7.473 -0.606 1.00 0.88 H new ATOM 0 HG22 VAL B 61 5.364 -7.531 1.172 1.00 0.88 H new ATOM 0 HG23 VAL B 61 5.462 -9.041 0.235 1.00 0.88 H new ATOM 964 N VAL B 62 1.077 -8.517 2.793 1.00 0.83 N ATOM 965 CA VAL B 62 -0.375 -8.296 3.022 1.00 0.89 C ATOM 966 C VAL B 62 -0.724 -6.827 2.789 1.00 0.88 C ATOM 967 O VAL B 62 -0.752 -6.064 3.734 1.00 0.97 O ATOM 968 CB VAL B 62 -0.671 -8.676 4.473 1.00 1.00 C ATOM 969 CG1 VAL B 62 -0.834 -10.200 4.535 1.00 1.09 C ATOM 970 CG2 VAL B 62 0.527 -8.299 5.340 1.00 1.02 C ATOM 0 H VAL B 62 1.654 -8.550 3.634 1.00 0.83 H new ATOM 0 HA VAL B 62 -0.968 -8.899 2.335 1.00 0.89 H new ATOM 0 HB VAL B 62 -1.568 -8.164 4.823 1.00 1.00 H new ATOM 0 HG11 VAL B 62 -1.047 -10.502 5.561 1.00 1.09 H new ATOM 0 HG12 VAL B 62 -1.658 -10.504 3.889 1.00 1.09 H new ATOM 0 HG13 VAL B 62 0.086 -10.678 4.199 1.00 1.09 H new ATOM 0 HG21 VAL B 62 0.324 -8.567 6.377 1.00 1.02 H new ATOM 0 HG22 VAL B 62 1.410 -8.835 4.993 1.00 1.02 H new ATOM 0 HG23 VAL B 62 0.703 -7.226 5.270 1.00 1.02 H new ATOM 980 N SER B 63 -0.979 -6.471 1.559 1.00 0.81 N ATOM 981 CA SER B 63 -1.326 -5.056 1.264 1.00 0.83 C ATOM 982 C SER B 63 -2.839 -4.860 1.361 1.00 0.92 C ATOM 983 O SER B 63 -3.578 -5.538 0.675 1.00 0.98 O ATOM 984 CB SER B 63 -0.856 -4.761 -0.165 1.00 0.80 C ATOM 985 OG SER B 63 -0.406 -3.415 -0.087 1.00 1.43 O ATOM 0 H SER B 63 -0.962 -7.095 0.753 1.00 0.81 H new ATOM 0 HA SER B 63 -0.848 -4.385 1.977 1.00 0.83 H new ATOM 0 HB2 SER B 63 -0.057 -5.435 -0.474 1.00 0.80 H new ATOM 0 HB3 SER B 63 -1.665 -4.874 -0.887 1.00 0.80 H new ATOM 0 HG SER B 63 -0.532 -2.977 -0.955 1.00 1.43 H new ATOM 991 N PRO B 64 -3.252 -3.948 2.203 1.00 1.04 N ATOM 992 CA PRO B 64 -4.681 -3.654 2.397 1.00 1.15 C ATOM 993 C PRO B 64 -5.333 -3.278 1.065 1.00 0.95 C ATOM 994 O PRO B 64 -4.864 -2.377 0.398 1.00 0.89 O ATOM 995 CB PRO B 64 -4.685 -2.453 3.363 1.00 1.33 C ATOM 996 CG PRO B 64 -3.253 -2.337 3.945 1.00 1.44 C ATOM 997 CD PRO B 64 -2.330 -3.136 3.015 1.00 1.19 C ATOM 0 HA PRO B 64 -5.240 -4.505 2.785 1.00 1.15 H new ATOM 0 HB2 PRO B 64 -4.964 -1.538 2.840 1.00 1.33 H new ATOM 0 HB3 PRO B 64 -5.414 -2.601 4.159 1.00 1.33 H new ATOM 0 HG2 PRO B 64 -2.940 -1.294 3.997 1.00 1.44 H new ATOM 0 HG3 PRO B 64 -3.215 -2.732 4.960 1.00 1.44 H new ATOM 0 HD2 PRO B 64 -1.725 -2.477 2.392 1.00 1.19 H new ATOM 0 HD3 PRO B 64 -1.640 -3.762 3.580 1.00 1.19 H new ATOM 1005 N PRO B 65 -6.388 -3.974 0.723 1.00 1.04 N ATOM 1006 CA PRO B 65 -7.117 -3.722 -0.530 1.00 1.02 C ATOM 1007 C PRO B 65 -7.572 -2.265 -0.599 1.00 0.86 C ATOM 1008 O PRO B 65 -7.824 -1.772 -1.680 1.00 0.90 O ATOM 1009 CB PRO B 65 -8.328 -4.671 -0.453 1.00 1.35 C ATOM 1010 CG PRO B 65 -8.044 -5.671 0.697 1.00 1.57 C ATOM 1011 CD PRO B 65 -6.937 -5.053 1.561 1.00 1.36 C ATOM 0 HA PRO B 65 -6.507 -3.894 -1.417 1.00 1.02 H new ATOM 0 HB2 PRO B 65 -9.244 -4.113 -0.262 1.00 1.35 H new ATOM 0 HB3 PRO B 65 -8.467 -5.198 -1.397 1.00 1.35 H new ATOM 0 HG2 PRO B 65 -8.943 -5.846 1.288 1.00 1.57 H new ATOM 0 HG3 PRO B 65 -7.731 -6.637 0.301 1.00 1.57 H new ATOM 0 HD2 PRO B 65 -7.333 -4.666 2.500 1.00 1.36 H new ATOM 0 HD3 PRO B 65 -6.173 -5.788 1.816 1.00 1.36 H new ATOM 1019 N ARG B 66 -7.666 -1.621 0.532 1.00 0.89 N ATOM 1020 CA ARG B 66 -8.104 -0.201 0.528 1.00 0.87 C ATOM 1021 C ARG B 66 -6.967 0.692 1.018 1.00 0.96 C ATOM 1022 O ARG B 66 -5.962 0.181 1.469 1.00 1.18 O ATOM 1023 CB ARG B 66 -9.305 -0.082 1.476 1.00 1.04 C ATOM 1024 CG ARG B 66 -9.963 -1.459 1.587 1.00 1.59 C ATOM 1025 CD ARG B 66 -10.184 -1.755 3.071 1.00 2.18 C ATOM 1026 NE ARG B 66 -11.149 -0.752 3.605 1.00 2.36 N ATOM 1027 CZ ARG B 66 -12.007 -1.112 4.520 1.00 2.91 C ATOM 1028 NH1 ARG B 66 -11.864 -2.274 5.097 1.00 3.34 N ATOM 1029 NH2 ARG B 66 -12.979 -0.298 4.828 1.00 3.58 N ATOM 0 H ARG B 66 -7.460 -2.014 1.450 1.00 0.89 H new ATOM 0 HA ARG B 66 -8.379 0.112 -0.479 1.00 0.87 H new ATOM 0 HB2 ARG B 66 -8.982 0.265 2.457 1.00 1.04 H new ATOM 0 HB3 ARG B 66 -10.018 0.651 1.097 1.00 1.04 H new ATOM 0 HG2 ARG B 66 -10.911 -1.473 1.050 1.00 1.59 H new ATOM 0 HG3 ARG B 66 -9.329 -2.222 1.136 1.00 1.59 H new ATOM 0 HD2 ARG B 66 -10.572 -2.765 3.204 1.00 2.18 H new ATOM 0 HD3 ARG B 66 -9.240 -1.702 3.614 1.00 2.18 H new ATOM 0 HE ARG B 66 -11.139 0.207 3.258 1.00 2.36 H new ATOM 0 HH11 ARG B 66 -11.091 -2.884 4.831 1.00 3.34 H new ATOM 0 HH12 ARG B 66 -12.525 -2.572 5.814 1.00 3.34 H new ATOM 0 HH21 ARG B 66 -13.059 0.603 4.356 1.00 3.58 H new ATOM 0 HH22 ARG B 66 -13.659 -0.562 5.541 1.00 3.58 H new ATOM 1043 N ILE B 67 -7.147 1.981 0.920 1.00 0.94 N ATOM 1044 CA ILE B 67 -6.076 2.902 1.380 1.00 1.15 C ATOM 1045 C ILE B 67 -6.159 3.082 2.894 1.00 1.31 C ATOM 1046 O ILE B 67 -5.643 2.256 3.620 1.00 1.75 O ATOM 1047 CB ILE B 67 -6.299 4.245 0.684 1.00 1.19 C ATOM 1048 CG1 ILE B 67 -6.867 3.992 -0.710 1.00 1.09 C ATOM 1049 CG2 ILE B 67 -4.933 4.923 0.518 1.00 1.70 C ATOM 1050 CD1 ILE B 67 -6.574 5.224 -1.568 1.00 1.18 C ATOM 0 H ILE B 67 -7.982 2.431 0.545 1.00 0.94 H new ATOM 0 HA ILE B 67 -5.092 2.500 1.138 1.00 1.15 H new ATOM 0 HB ILE B 67 -6.982 4.864 1.266 1.00 1.19 H new ATOM 0 HG12 ILE B 67 -6.415 3.104 -1.151 1.00 1.09 H new ATOM 0 HG13 ILE B 67 -7.940 3.810 -0.657 1.00 1.09 H new ATOM 0 HG21 ILE B 67 -5.062 5.885 0.023 1.00 1.70 H new ATOM 0 HG22 ILE B 67 -4.482 5.077 1.498 1.00 1.70 H new ATOM 0 HG23 ILE B 67 -4.283 4.289 -0.085 1.00 1.70 H new ATOM 0 HD11 ILE B 67 -6.970 5.071 -2.572 1.00 1.18 H new ATOM 0 HD12 ILE B 67 -7.046 6.099 -1.122 1.00 1.18 H new ATOM 0 HD13 ILE B 67 -5.497 5.381 -1.623 1.00 1.18 H new ATOM 1062 N GLY B 68 -6.796 4.135 3.329 1.00 1.72 N ATOM 1063 CA GLY B 68 -6.912 4.366 4.796 1.00 1.97 C ATOM 1064 C GLY B 68 -8.255 3.826 5.291 1.00 2.80 C ATOM 1065 O GLY B 68 -8.744 4.392 6.255 1.00 3.41 O ATOM 1066 OXT GLY B 68 -8.717 2.878 4.677 1.00 3.31 O ATOM 0 H GLY B 68 -7.237 4.839 2.738 1.00 1.72 H new ATOM 0 HA2 GLY B 68 -6.094 3.871 5.319 1.00 1.97 H new ATOM 0 HA3 GLY B 68 -6.833 5.431 5.015 1.00 1.97 H new TER 1070 GLY B 68 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 34 720 CONECT 720 34 END