USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) HEADER SIGNALING PROTEIN 07-MAR-07 2JOD TITLE PAC1-RSHORT N-TERMINAL EC DOMAIN PACAP(6-38) COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: PITUITARY ADENYLATE CYCLASE-ACTIVATING COMPND 3 POLYPEPTIDE TYPE I RECEPTOR; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RESIDUES 22-143; COMPND 6 SYNONYM: PACAP TYPE I RECEPTOR, PACAP-R-1; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: PITUITARY ADENYLATE CYCLASE-ACTIVATING COMPND 0 POLYPEPTIDE; COMPND 1 CHAIN: B; COMPND 2 FRAGMENT: SEQUENCE DATABASE RESIDUES, 137-169; COMPND 3 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: ADCYAP1R1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 0 ORGANISM_COMMON: HUMAN; SOURCE 1 ORGANISM_TAXID: 9606; SOURCE 2 GENE: ADCYAP1; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 4 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PROTEIN/PEPTIDE COMPLEX, SIGNALING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR E.T.OLEJNICZAK,C.SUN,D.SONG,R.A.DAVIS-TABER,L.W.BARRETT, AUTHOR 2 V.E.SCOTT,P.L.RICHARDSON,A.PEREDA-LOPEZ,M.E.UCHIC, AUTHOR 3 L.R.SOLOMON,M.R.LAKE,K.A.WALTER,P.J.HAJDUK REVDAT 2 24-FEB-09 2JOD 1 VERSN REVDAT 1 22-MAY-07 2JOD 0 JRNL AUTH C.SUN,D.SONG,R.A.DAVIS-TABER,L.W.BARRETT,V.E.SCOTT, JRNL AUTH 2 P.L.RICHARDSON,A.PEREDA-LOPEZ,M.E.UCHIC, JRNL AUTH 3 L.R.SOLOMON,M.R.LAKE,K.A.WALTER,P.J.HAJDUK, JRNL AUTH 4 E.T.OLEJNICZAK JRNL TITL SOLUTION STRUCTURE AND MUTATIONAL ANALYSIS OF JRNL TITL 2 PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE JRNL TITL 3 BINDING TO THE EXTRACELLULAR DOMAIN OF PAC1-RS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 104 7875 2007 JRNL REFN ISSN 0027-8424 JRNL PMID 17470806 JRNL DOI 10.1073/PNAS.0611397104 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JOD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAR-07. REMARK 100 THE RCSB ID CODE IS RCSB100085. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 700 UM [U-100% 13C, U-100% REMARK 210 15N] PAC1-R N-TERMINAL EC REMARK 210 DOMAIN, 700 UM PACAP (6-38),50 REMARK 210 MM PHOSPHATE, PH 7.0, 100 MM REMARK 210 AMMONIUM SULFATE, 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 1H-13C NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 300 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 HIS A 22 77.67 60.21 REMARK 500 PHE A 27 45.38 37.18 REMARK 500 LYS A 28 -144.43 51.78 REMARK 500 MET A 45 -142.44 42.33 REMARK 500 ASN A 48 -142.39 64.39 REMARK 500 ASP A 49 74.25 -104.68 REMARK 500 SER A 50 -53.47 -161.21 REMARK 500 PRO A 52 -175.42 -68.57 REMARK 500 ASP A 59 -164.47 -107.39 REMARK 500 ILE A 61 -22.72 -167.09 REMARK 500 GLU A 79 96.99 67.03 REMARK 500 PHE A 84 -86.76 -112.75 REMARK 500 ASP A 89 90.75 66.35 REMARK 500 PHE A 106 104.30 -164.04 REMARK 500 TYR A 109 -108.85 -87.42 REMARK 500 ASP A 111 81.07 63.91 REMARK 500 ALA A 112 -80.49 -67.60 REMARK 500 TYR A 118 -97.71 -77.94 REMARK 500 THR B 7 58.75 -92.60 REMARK 500 ALA B 18 -77.22 -93.56 REMARK 500 LEU B 27 41.03 -88.82 REMARK 500 LYS B 32 -40.42 -156.66 REMARK 500 ARG B 34 -116.84 -105.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 15166 RELATED DB: BMRB DBREF 2JOD A 22 122 UNP P41586 PACR_HUMAN 22 143 DBREF 2JOD B 6 38 UNP P18509 PACA_HUMAN 137 169 SEQADV 2JOD MET A 17 UNP P41586 CLONING ARTIFACT SEQADV 2JOD GLY A 18 UNP P41586 CLONING ARTIFACT SEQADV 2JOD SER A 19 UNP P41586 CLONING ARTIFACT SEQADV 2JOD MET A 20 UNP P41586 CLONING ARTIFACT SEQADV 2JOD ALA A 21 UNP P41586 CLONING ARTIFACT SEQADV 2JOD GLY A 25 UNP P41586 CYS 25 ENGINEERED SEQADV 2JOD A UNP P41586 VAL 89 DELETION SEQADV 2JOD A UNP P41586 TRP 90 DELETION SEQADV 2JOD A UNP P41586 GLU 91 DELETION SEQADV 2JOD A UNP P41586 THR 92 DELETION SEQADV 2JOD A UNP P41586 GLU 93 DELETION SEQADV 2JOD A UNP P41586 THR 94 DELETION SEQADV 2JOD A UNP P41586 ILE 95 DELETION SEQADV 2JOD A UNP P41586 GLY 96 DELETION SEQADV 2JOD A UNP P41586 GLU 97 DELETION SEQADV 2JOD A UNP P41586 SER 98 DELETION SEQADV 2JOD A UNP P41586 ASP 99 DELETION SEQADV 2JOD A UNP P41586 PHE 100 DELETION SEQADV 2JOD A UNP P41586 GLY 101 DELETION SEQADV 2JOD A UNP P41586 ASP 102 DELETION SEQADV 2JOD A UNP P41586 SER 103 DELETION SEQADV 2JOD A UNP P41586 ASN 104 DELETION SEQADV 2JOD A UNP P41586 SER 105 DELETION SEQADV 2JOD A UNP P41586 LEU 106 DELETION SEQADV 2JOD A UNP P41586 ASP 107 DELETION SEQADV 2JOD A UNP P41586 LEU 108 DELETION SEQADV 2JOD A UNP P41586 SER 109 DELETION SEQRES 1 A 106 MET GLY SER MET ALA HIS SER ASP GLY ILE PHE LYS LYS SEQRES 2 A 106 GLU GLN ALA MET CYS LEU GLU LYS ILE GLN ARG ALA ASN SEQRES 3 A 106 GLU LEU MET GLY PHE ASN ASP SER SER PRO GLY CYS PRO SEQRES 4 A 106 GLY MET TRP ASP ASN ILE THR CYS TRP LYS PRO ALA HIS SEQRES 5 A 106 VAL GLY GLU MET VAL LEU VAL SER CYS PRO GLU LEU PHE SEQRES 6 A 106 ARG ILE PHE ASN PRO ASP GLN ASP MET GLY VAL VAL SER SEQRES 7 A 106 ARG ASN CYS THR GLU ASP GLY TRP SER GLU PRO PHE PRO SEQRES 8 A 106 HIS TYR PHE ASP ALA CYS GLY PHE ASP GLU TYR GLU SER SEQRES 9 A 106 GLU THR SEQRES 1 B 33 PHE THR ASP SER TYR SER ARG TYR ARG LYS GLN MET ALA SEQRES 2 B 33 VAL LYS LYS TYR LEU ALA ALA VAL LEU GLY LYS ARG TYR SEQRES 3 B 33 LYS GLN ARG VAL LYS ASN LYS HELIX 1 1 SER A 23 PHE A 27 5 5 HELIX 2 2 LYS A 29 MET A 45 1 17 HELIX 3 3 TYR B 10 LYS B 15 1 6 HELIX 4 4 LYS B 21 ARG B 30 1 10 SHEET 1 A 2 MET A 57 TRP A 58 0 SHEET 2 A 2 CYS A 63 TRP A 64 -1 O TRP A 64 N MET A 57 SHEET 1 B 2 VAL A 73 VAL A 75 0 SHEET 2 B 2 VAL A 93 ARG A 95 -1 O ARG A 95 N VAL A 73 SSBOND *** CYS A 34 CYS A 63 1555 1555 2.03 SSBOND *** CYS A 54 CYS A 97 1555 1555 2.03 SSBOND *** CYS A 77 CYS A 113 1555 1555 2.03 CISPEP 1 PHE A 106 PRO A 107 0 1.43 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 72 MET CE :methyl -112:sc= -0.895 (180deg=-4.75) USER MOD Set 1.2: B 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 161:sc= -0.139 (180deg=-0.714) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.187 K(o=0.19,f=-2.6!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.59) USER MOD Single : A 45 MET CE :methyl -163:sc= -0.865! (180deg=-1.85!) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -1.32! (180deg=-2.27!) USER MOD Single : A 60 ASN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 62 THR OG1 : rot -90:sc= -1.94! USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0.0897 (180deg=-0.594) USER MOD Single : A 68 HIS : no HE2:sc= 0.188 K(o=0.19,f=-0.77) USER MOD Single : A 76 SER OG : rot 160:sc= -0.0945 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 90 MET CE :methyl 161:sc= -0.365 (180deg=-1.41) USER MOD Single : A 94 SER OG : rot 180:sc= -0.114 USER MOD Single : A 96 ASN : amide:sc= -0.0976 K(o=-0.098,f=-1.9) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 103 SER OG : rot -160:sc= -0.0068 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot -60:sc= -1.3 USER MOD Single : A 118 TYR OH : rot 30:sc= 0.0182 USER MOD Single : A 120 SER OG : rot 180:sc= 0.117 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : B 7 THR OG1 : rot 81:sc= 0.473 USER MOD Single : B 9 SER OG : rot 180:sc= 0.114 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : B 17 MET CE :methyl -124:sc= -0.0748 (180deg=-0.989) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0317) USER MOD Single : B 22 TYR OH : rot 180:sc= -0.313 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 0:sc= -0.467 USER MOD Single : B 32 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.768) USER MOD Single : B 33 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 36 LYS NZ :NH3+ 168:sc= 0.0312 (180deg=0.0171) USER MOD Single : B 37 ASN :FLIP amide:sc= 0.291 F(o=-2.6!,f=0.29) USER MOD Single : B 38 LYS NZ :NH3+ -112:sc= 0.0109 (180deg=-0.592) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 17 16.544 -16.616 -15.544 1.00 1.41 N ATOM 2 CA MET A 17 16.601 -15.400 -16.395 1.00 1.39 C ATOM 3 C MET A 17 15.201 -14.945 -16.789 1.00 1.35 C ATOM 4 O MET A 17 14.921 -13.747 -16.852 1.00 1.35 O ATOM 5 CB MET A 17 17.428 -15.675 -17.652 1.00 1.51 C ATOM 6 CG MET A 17 18.922 -15.477 -17.455 1.00 1.43 C ATOM 7 SD MET A 17 19.863 -15.733 -18.971 1.00 1.74 S ATOM 8 CE MET A 17 19.218 -14.417 -20.000 1.00 2.13 C ATOM 0 HA MET A 17 17.074 -14.605 -15.819 1.00 1.39 H new ATOM 0 HB2 MET A 17 17.246 -16.699 -17.979 1.00 1.51 H new ATOM 0 HB3 MET A 17 17.086 -15.019 -18.452 1.00 1.51 H new ATOM 0 HG2 MET A 17 19.105 -14.468 -17.084 1.00 1.43 H new ATOM 0 HG3 MET A 17 19.278 -16.167 -16.690 1.00 1.43 H new ATOM 0 HE1 MET A 17 19.910 -14.224 -20.820 1.00 2.13 H new ATOM 0 HE2 MET A 17 18.250 -14.713 -20.405 1.00 2.13 H new ATOM 0 HE3 MET A 17 19.101 -13.513 -19.403 1.00 2.13 H new ATOM 20 N GLY A 18 14.324 -15.908 -17.054 1.00 1.33 N ATOM 21 CA GLY A 18 12.962 -15.586 -17.438 1.00 1.30 C ATOM 22 C GLY A 18 12.069 -15.331 -16.240 1.00 1.33 C ATOM 23 O GLY A 18 11.287 -14.380 -16.232 1.00 1.44 O ATOM 0 H GLY A 18 14.532 -16.906 -17.010 1.00 1.33 H new ATOM 0 HA2 GLY A 18 12.967 -14.704 -18.078 1.00 1.30 H new ATOM 0 HA3 GLY A 18 12.550 -16.405 -18.027 1.00 1.30 H new ATOM 27 N SER A 19 12.187 -16.182 -15.226 1.00 1.28 N ATOM 28 CA SER A 19 11.386 -16.045 -14.016 1.00 1.30 C ATOM 29 C SER A 19 12.273 -15.766 -12.807 1.00 1.25 C ATOM 30 O SER A 19 13.220 -16.505 -12.536 1.00 1.33 O ATOM 31 CB SER A 19 10.561 -17.311 -13.778 1.00 1.41 C ATOM 32 OG SER A 19 10.856 -18.302 -14.748 1.00 1.55 O ATOM 0 H SER A 19 12.830 -16.974 -15.219 1.00 1.28 H new ATOM 0 HA SER A 19 10.710 -15.201 -14.151 1.00 1.30 H new ATOM 0 HB2 SER A 19 10.767 -17.701 -12.781 1.00 1.41 H new ATOM 0 HB3 SER A 19 9.499 -17.069 -13.813 1.00 1.41 H new ATOM 0 HG SER A 19 10.317 -19.102 -14.573 1.00 1.55 H new ATOM 38 N MET A 20 11.961 -14.696 -12.084 1.00 1.28 N ATOM 39 CA MET A 20 12.731 -14.318 -10.904 1.00 1.25 C ATOM 40 C MET A 20 11.961 -14.631 -9.624 1.00 1.19 C ATOM 41 O MET A 20 10.733 -14.724 -9.634 1.00 1.17 O ATOM 42 CB MET A 20 13.073 -12.827 -10.953 1.00 1.22 C ATOM 43 CG MET A 20 14.304 -12.458 -10.142 1.00 1.22 C ATOM 44 SD MET A 20 14.336 -10.714 -9.685 1.00 1.30 S ATOM 45 CE MET A 20 14.817 -9.963 -11.238 1.00 1.43 C ATOM 0 H MET A 20 11.180 -14.075 -12.294 1.00 1.28 H new ATOM 0 HA MET A 20 13.653 -14.899 -10.901 1.00 1.25 H new ATOM 0 HB2 MET A 20 13.230 -12.533 -11.991 1.00 1.22 H new ATOM 0 HB3 MET A 20 12.221 -12.255 -10.585 1.00 1.22 H new ATOM 0 HG2 MET A 20 14.335 -13.067 -9.239 1.00 1.22 H new ATOM 0 HG3 MET A 20 15.199 -12.695 -10.718 1.00 1.22 H new ATOM 0 HE1 MET A 20 14.880 -8.882 -11.115 1.00 1.43 H new ATOM 0 HE2 MET A 20 15.789 -10.350 -11.544 1.00 1.43 H new ATOM 0 HE3 MET A 20 14.076 -10.199 -12.001 1.00 1.43 H new ATOM 55 N ALA A 21 12.691 -14.797 -8.526 1.00 1.21 N ATOM 56 CA ALA A 21 12.078 -15.092 -7.236 1.00 1.20 C ATOM 57 C ALA A 21 11.586 -13.812 -6.566 1.00 1.08 C ATOM 58 O ALA A 21 10.648 -13.833 -5.769 1.00 1.05 O ATOM 59 CB ALA A 21 13.069 -15.819 -6.338 1.00 1.32 C ATOM 0 H ALA A 21 13.709 -14.732 -8.504 1.00 1.21 H new ATOM 0 HA ALA A 21 11.217 -15.740 -7.402 1.00 1.20 H new ATOM 0 HB1 ALA A 21 12.600 -16.034 -5.378 1.00 1.32 H new ATOM 0 HB2 ALA A 21 13.371 -16.753 -6.811 1.00 1.32 H new ATOM 0 HB3 ALA A 21 13.946 -15.191 -6.181 1.00 1.32 H new ATOM 65 N HIS A 22 12.231 -12.699 -6.902 1.00 1.05 N ATOM 66 CA HIS A 22 11.873 -11.397 -6.349 1.00 0.97 C ATOM 67 C HIS A 22 12.013 -11.378 -4.829 1.00 0.94 C ATOM 68 O HIS A 22 11.023 -11.460 -4.101 1.00 0.99 O ATOM 69 CB HIS A 22 10.445 -11.018 -6.748 1.00 0.95 C ATOM 70 CG HIS A 22 10.280 -10.777 -8.217 1.00 0.97 C ATOM 71 ND1 HIS A 22 10.967 -9.811 -8.918 1.00 1.07 N ATOM 72 CD2 HIS A 22 9.486 -11.404 -9.123 1.00 1.07 C ATOM 73 CE1 HIS A 22 10.579 -9.878 -10.199 1.00 1.10 C ATOM 74 NE2 HIS A 22 9.682 -10.829 -10.376 1.00 1.08 N ATOM 0 H HIS A 22 13.010 -12.673 -7.560 1.00 1.05 H new ATOM 0 HA HIS A 22 12.565 -10.663 -6.762 1.00 0.97 H new ATOM 0 HB2 HIS A 22 9.767 -11.814 -6.440 1.00 0.95 H new ATOM 0 HB3 HIS A 22 10.151 -10.120 -6.205 1.00 0.95 H new ATOM 0 HD2 HIS A 22 8.811 -12.218 -8.906 1.00 1.07 H new ATOM 0 HE1 HIS A 22 10.952 -9.237 -10.984 1.00 1.10 H new ATOM 0 HE2 HIS A 22 9.226 -11.089 -11.250 1.00 1.08 H new ATOM 82 N SER A 23 13.252 -11.264 -4.358 1.00 0.92 N ATOM 83 CA SER A 23 13.528 -11.221 -2.926 1.00 0.92 C ATOM 84 C SER A 23 13.181 -9.851 -2.356 1.00 0.81 C ATOM 85 O SER A 23 12.923 -9.708 -1.161 1.00 0.83 O ATOM 86 CB SER A 23 14.999 -11.541 -2.658 1.00 1.00 C ATOM 87 OG SER A 23 15.569 -12.262 -3.737 1.00 1.12 O ATOM 0 H SER A 23 14.081 -11.200 -4.948 1.00 0.92 H new ATOM 0 HA SER A 23 12.908 -11.971 -2.435 1.00 0.92 H new ATOM 0 HB2 SER A 23 15.553 -10.615 -2.502 1.00 1.00 H new ATOM 0 HB3 SER A 23 15.086 -12.123 -1.741 1.00 1.00 H new ATOM 0 HG SER A 23 16.510 -12.453 -3.542 1.00 1.12 H new ATOM 93 N ASP A 24 13.182 -8.845 -3.223 1.00 0.75 N ATOM 94 CA ASP A 24 12.861 -7.485 -2.816 1.00 0.67 C ATOM 95 C ASP A 24 11.358 -7.339 -2.603 1.00 0.65 C ATOM 96 O ASP A 24 10.913 -6.725 -1.634 1.00 0.85 O ATOM 97 CB ASP A 24 13.343 -6.493 -3.875 1.00 0.71 C ATOM 98 CG ASP A 24 14.329 -7.120 -4.843 1.00 1.05 C ATOM 99 OD1 ASP A 24 15.545 -7.092 -4.557 1.00 1.43 O ATOM 100 OD2 ASP A 24 13.884 -7.638 -5.889 1.00 1.76 O ATOM 0 H ASP A 24 13.402 -8.947 -4.214 1.00 0.75 H new ATOM 0 HA ASP A 24 13.369 -7.271 -1.876 1.00 0.67 H new ATOM 0 HB2 ASP A 24 12.486 -6.111 -4.429 1.00 0.71 H new ATOM 0 HB3 ASP A 24 13.811 -5.640 -3.384 1.00 0.71 H new ATOM 105 N GLY A 25 10.583 -7.908 -3.521 1.00 0.65 N ATOM 106 CA GLY A 25 9.138 -7.854 -3.414 1.00 0.62 C ATOM 107 C GLY A 25 8.579 -9.121 -2.800 1.00 0.62 C ATOM 108 O GLY A 25 7.797 -9.835 -3.428 1.00 0.67 O ATOM 0 H GLY A 25 10.932 -8.407 -4.339 1.00 0.65 H new ATOM 0 HA2 GLY A 25 8.849 -6.996 -2.807 1.00 0.62 H new ATOM 0 HA3 GLY A 25 8.704 -7.706 -4.403 1.00 0.62 H new ATOM 112 N ILE A 26 8.988 -9.402 -1.568 1.00 0.61 N ATOM 113 CA ILE A 26 8.537 -10.596 -0.863 1.00 0.64 C ATOM 114 C ILE A 26 7.680 -10.230 0.353 1.00 0.59 C ATOM 115 O ILE A 26 6.955 -11.068 0.885 1.00 0.62 O ATOM 116 CB ILE A 26 9.750 -11.448 -0.429 1.00 0.72 C ATOM 117 CG1 ILE A 26 9.586 -12.912 -0.863 1.00 0.81 C ATOM 118 CG2 ILE A 26 9.968 -11.353 1.069 1.00 0.76 C ATOM 119 CD1 ILE A 26 8.787 -13.747 0.113 1.00 0.89 C ATOM 0 H ILE A 26 9.633 -8.818 -1.036 1.00 0.61 H new ATOM 0 HA ILE A 26 7.919 -11.180 -1.545 1.00 0.64 H new ATOM 0 HB ILE A 26 10.632 -11.048 -0.929 1.00 0.72 H new ATOM 0 HG12 ILE A 26 9.098 -12.941 -1.837 1.00 0.81 H new ATOM 0 HG13 ILE A 26 10.573 -13.358 -0.987 1.00 0.81 H new ATOM 0 HG21 ILE A 26 10.827 -11.961 1.351 1.00 0.76 H new ATOM 0 HG22 ILE A 26 10.152 -10.315 1.345 1.00 0.76 H new ATOM 0 HG23 ILE A 26 9.081 -11.715 1.589 1.00 0.76 H new ATOM 0 HD11 ILE A 26 8.712 -14.769 -0.259 1.00 0.89 H new ATOM 0 HD12 ILE A 26 9.285 -13.749 1.083 1.00 0.89 H new ATOM 0 HD13 ILE A 26 7.787 -13.325 0.219 1.00 0.89 H new ATOM 131 N PHE A 27 7.795 -8.974 0.792 1.00 0.54 N ATOM 132 CA PHE A 27 7.038 -8.456 1.936 1.00 0.52 C ATOM 133 C PHE A 27 6.870 -9.489 3.046 1.00 0.57 C ATOM 134 O PHE A 27 5.787 -9.622 3.616 1.00 0.58 O ATOM 135 CB PHE A 27 5.662 -7.961 1.495 1.00 0.49 C ATOM 136 CG PHE A 27 5.395 -8.105 0.030 1.00 0.49 C ATOM 137 CD1 PHE A 27 5.008 -9.325 -0.495 1.00 0.55 C ATOM 138 CD2 PHE A 27 5.490 -7.011 -0.815 1.00 0.47 C ATOM 139 CE1 PHE A 27 4.724 -9.452 -1.842 1.00 0.58 C ATOM 140 CE2 PHE A 27 5.200 -7.130 -2.163 1.00 0.51 C ATOM 141 CZ PHE A 27 4.815 -8.353 -2.676 1.00 0.56 C ATOM 0 H PHE A 27 8.416 -8.287 0.365 1.00 0.54 H new ATOM 0 HA PHE A 27 7.619 -7.626 2.337 1.00 0.52 H new ATOM 0 HB2 PHE A 27 4.898 -8.509 2.047 1.00 0.49 H new ATOM 0 HB3 PHE A 27 5.562 -6.911 1.769 1.00 0.49 H new ATOM 0 HD1 PHE A 27 4.927 -10.185 0.153 1.00 0.55 H new ATOM 0 HD2 PHE A 27 5.794 -6.054 -0.417 1.00 0.47 H new ATOM 0 HE1 PHE A 27 4.431 -10.411 -2.243 1.00 0.58 H new ATOM 0 HE2 PHE A 27 5.275 -6.270 -2.811 1.00 0.51 H new ATOM 0 HZ PHE A 27 4.585 -8.451 -3.727 1.00 0.56 H new ATOM 151 N LYS A 28 7.947 -10.182 3.385 1.00 0.62 N ATOM 152 CA LYS A 28 7.884 -11.186 4.434 1.00 0.69 C ATOM 153 C LYS A 28 6.734 -12.145 4.148 1.00 0.70 C ATOM 154 O LYS A 28 6.465 -12.477 2.994 1.00 0.74 O ATOM 155 CB LYS A 28 7.684 -10.519 5.800 1.00 0.71 C ATOM 156 CG LYS A 28 8.520 -11.131 6.915 1.00 0.78 C ATOM 157 CD LYS A 28 8.060 -10.657 8.287 1.00 0.88 C ATOM 158 CE LYS A 28 7.955 -11.812 9.271 1.00 1.00 C ATOM 159 NZ LYS A 28 7.833 -11.336 10.677 1.00 0.93 N ATOM 0 H LYS A 28 8.865 -10.069 2.954 1.00 0.62 H new ATOM 0 HA LYS A 28 8.822 -11.740 4.455 1.00 0.69 H new ATOM 0 HB2 LYS A 28 7.929 -9.460 5.715 1.00 0.71 H new ATOM 0 HB3 LYS A 28 6.631 -10.582 6.073 1.00 0.71 H new ATOM 0 HG2 LYS A 28 8.455 -12.218 6.864 1.00 0.78 H new ATOM 0 HG3 LYS A 28 9.568 -10.868 6.771 1.00 0.78 H new ATOM 0 HD2 LYS A 28 8.760 -9.914 8.670 1.00 0.88 H new ATOM 0 HD3 LYS A 28 7.091 -10.165 8.197 1.00 0.88 H new ATOM 0 HE2 LYS A 28 7.090 -12.426 9.019 1.00 1.00 H new ATOM 0 HE3 LYS A 28 8.835 -12.449 9.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.764 -12.154 11.316 1.00 0.93 H new ATOM 0 HZ2 LYS A 28 8.670 -10.772 10.926 1.00 0.93 H new ATOM 0 HZ3 LYS A 28 6.979 -10.750 10.772 1.00 0.93 H new ATOM 173 N LYS A 29 6.074 -12.605 5.199 1.00 0.70 N ATOM 174 CA LYS A 29 4.940 -13.512 5.054 1.00 0.73 C ATOM 175 C LYS A 29 3.638 -12.728 4.884 1.00 0.68 C ATOM 176 O LYS A 29 2.596 -13.292 4.554 1.00 0.70 O ATOM 177 CB LYS A 29 4.856 -14.465 6.255 1.00 0.83 C ATOM 178 CG LYS A 29 5.795 -15.660 6.151 1.00 0.94 C ATOM 179 CD LYS A 29 5.511 -16.693 7.232 1.00 1.05 C ATOM 180 CE LYS A 29 6.202 -18.015 6.934 1.00 1.23 C ATOM 181 NZ LYS A 29 6.106 -18.964 8.079 1.00 1.37 N ATOM 0 H LYS A 29 6.302 -12.366 6.164 1.00 0.70 H new ATOM 0 HA LYS A 29 5.090 -14.111 4.156 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.086 -13.911 7.165 1.00 0.83 H new ATOM 0 HB3 LYS A 29 3.832 -14.825 6.352 1.00 0.83 H new ATOM 0 HG2 LYS A 29 5.689 -16.122 5.169 1.00 0.94 H new ATOM 0 HG3 LYS A 29 6.827 -15.320 6.234 1.00 0.94 H new ATOM 0 HD2 LYS A 29 5.848 -16.314 8.197 1.00 1.05 H new ATOM 0 HD3 LYS A 29 4.436 -16.853 7.311 1.00 1.05 H new ATOM 0 HE2 LYS A 29 5.754 -18.467 6.049 1.00 1.23 H new ATOM 0 HE3 LYS A 29 7.251 -17.832 6.702 1.00 1.23 H new ATOM 0 HZ1 LYS A 29 6.589 -19.852 7.835 1.00 1.37 H new ATOM 0 HZ2 LYS A 29 6.556 -18.544 8.917 1.00 1.37 H new ATOM 0 HZ3 LYS A 29 5.106 -19.159 8.285 1.00 1.37 H new ATOM 195 N GLU A 30 3.714 -11.426 5.126 1.00 0.63 N ATOM 196 CA GLU A 30 2.556 -10.540 5.033 1.00 0.59 C ATOM 197 C GLU A 30 1.756 -10.743 3.740 1.00 0.57 C ATOM 198 O GLU A 30 0.567 -10.433 3.695 1.00 0.59 O ATOM 199 CB GLU A 30 3.020 -9.084 5.132 1.00 0.53 C ATOM 200 CG GLU A 30 1.894 -8.098 5.394 1.00 0.63 C ATOM 201 CD GLU A 30 2.340 -6.656 5.248 1.00 0.68 C ATOM 202 OE1 GLU A 30 3.547 -6.387 5.425 1.00 0.87 O ATOM 203 OE2 GLU A 30 1.483 -5.796 4.956 1.00 0.82 O ATOM 0 H GLU A 30 4.578 -10.953 5.392 1.00 0.63 H new ATOM 0 HA GLU A 30 1.891 -10.786 5.861 1.00 0.59 H new ATOM 0 HB2 GLU A 30 3.757 -9.001 5.931 1.00 0.53 H new ATOM 0 HB3 GLU A 30 3.523 -8.809 4.205 1.00 0.53 H new ATOM 0 HG2 GLU A 30 1.075 -8.294 4.701 1.00 0.63 H new ATOM 0 HG3 GLU A 30 1.505 -8.255 6.400 1.00 0.63 H new ATOM 210 N GLN A 31 2.398 -11.254 2.693 1.00 0.57 N ATOM 211 CA GLN A 31 1.707 -11.471 1.418 1.00 0.59 C ATOM 212 C GLN A 31 0.636 -12.549 1.540 1.00 0.67 C ATOM 213 O GLN A 31 -0.534 -12.311 1.245 1.00 0.92 O ATOM 214 CB GLN A 31 2.705 -11.856 0.320 1.00 0.61 C ATOM 215 CG GLN A 31 2.104 -12.706 -0.791 1.00 0.67 C ATOM 216 CD GLN A 31 2.693 -12.370 -2.149 1.00 0.73 C ATOM 217 OE1 GLN A 31 2.249 -11.436 -2.816 1.00 0.79 O ATOM 218 NE2 GLN A 31 3.707 -13.125 -2.562 1.00 0.88 N ATOM 0 H GLN A 31 3.382 -11.523 2.697 1.00 0.57 H new ATOM 0 HA GLN A 31 1.221 -10.533 1.148 1.00 0.59 H new ATOM 0 HB2 GLN A 31 3.119 -10.947 -0.116 1.00 0.61 H new ATOM 0 HB3 GLN A 31 3.535 -12.400 0.772 1.00 0.61 H new ATOM 0 HG2 GLN A 31 2.275 -13.760 -0.573 1.00 0.67 H new ATOM 0 HG3 GLN A 31 1.025 -12.557 -0.817 1.00 0.67 H new ATOM 0 HE21 GLN A 31 4.044 -13.890 -1.978 1.00 0.88 H new ATOM 0 HE22 GLN A 31 4.147 -12.939 -3.463 1.00 0.88 H new ATOM 227 N ALA A 32 1.050 -13.731 1.974 1.00 0.60 N ATOM 228 CA ALA A 32 0.140 -14.861 2.121 1.00 0.66 C ATOM 229 C ALA A 32 -0.682 -14.787 3.407 1.00 0.66 C ATOM 230 O ALA A 32 -1.782 -15.331 3.478 1.00 0.72 O ATOM 231 CB ALA A 32 0.930 -16.159 2.079 1.00 0.73 C ATOM 0 H ALA A 32 2.016 -13.934 2.232 1.00 0.60 H new ATOM 0 HA ALA A 32 -0.565 -14.825 1.291 1.00 0.66 H new ATOM 0 HB1 ALA A 32 0.249 -17.003 2.189 1.00 0.73 H new ATOM 0 HB2 ALA A 32 1.453 -16.236 1.126 1.00 0.73 H new ATOM 0 HB3 ALA A 32 1.656 -16.170 2.892 1.00 0.73 H new ATOM 237 N MET A 33 -0.147 -14.113 4.419 1.00 0.65 N ATOM 238 CA MET A 33 -0.831 -14.000 5.706 1.00 0.66 C ATOM 239 C MET A 33 -2.024 -13.050 5.644 1.00 0.60 C ATOM 240 O MET A 33 -3.090 -13.348 6.181 1.00 0.63 O ATOM 241 CB MET A 33 0.148 -13.532 6.782 1.00 0.69 C ATOM 242 CG MET A 33 0.738 -14.668 7.602 1.00 0.74 C ATOM 243 SD MET A 33 -0.452 -15.985 7.921 1.00 0.79 S ATOM 244 CE MET A 33 -1.086 -15.487 9.521 1.00 0.87 C ATOM 0 H MET A 33 0.754 -13.638 4.376 1.00 0.65 H new ATOM 0 HA MET A 33 -1.211 -14.990 5.958 1.00 0.66 H new ATOM 0 HB2 MET A 33 0.958 -12.978 6.308 1.00 0.69 H new ATOM 0 HB3 MET A 33 -0.363 -12.840 7.451 1.00 0.69 H new ATOM 0 HG2 MET A 33 1.599 -15.081 7.077 1.00 0.74 H new ATOM 0 HG3 MET A 33 1.102 -14.275 8.551 1.00 0.74 H new ATOM 0 HE1 MET A 33 -1.835 -16.205 9.855 1.00 0.87 H new ATOM 0 HE2 MET A 33 -0.269 -15.454 10.242 1.00 0.87 H new ATOM 0 HE3 MET A 33 -1.540 -14.499 9.441 1.00 0.87 H new ATOM 254 N CYS A 34 -1.844 -11.908 4.994 1.00 0.53 N ATOM 255 CA CYS A 34 -2.914 -10.921 4.889 1.00 0.48 C ATOM 256 C CYS A 34 -3.962 -11.335 3.861 1.00 0.44 C ATOM 257 O CYS A 34 -5.159 -11.139 4.069 1.00 0.46 O ATOM 258 CB CYS A 34 -2.339 -9.553 4.523 1.00 0.47 C ATOM 259 SG CYS A 34 -2.965 -8.190 5.556 1.00 0.48 S ATOM 0 H CYS A 34 -0.974 -11.642 4.534 1.00 0.53 H new ATOM 0 HA CYS A 34 -3.402 -10.860 5.862 1.00 0.48 H new ATOM 0 HB2 CYS A 34 -1.253 -9.591 4.608 1.00 0.47 H new ATOM 0 HB3 CYS A 34 -2.569 -9.340 3.479 1.00 0.47 H new ATOM 264 N LEU A 35 -3.509 -11.909 2.754 1.00 0.44 N ATOM 265 CA LEU A 35 -4.413 -12.342 1.694 1.00 0.43 C ATOM 266 C LEU A 35 -5.291 -13.500 2.158 1.00 0.47 C ATOM 267 O LEU A 35 -6.320 -13.792 1.550 1.00 0.46 O ATOM 268 CB LEU A 35 -3.613 -12.751 0.457 1.00 0.45 C ATOM 269 CG LEU A 35 -4.388 -12.724 -0.863 1.00 0.50 C ATOM 270 CD1 LEU A 35 -5.216 -11.453 -0.978 1.00 0.43 C ATOM 271 CD2 LEU A 35 -3.428 -12.842 -2.037 1.00 0.58 C ATOM 0 H LEU A 35 -2.522 -12.086 2.566 1.00 0.44 H new ATOM 0 HA LEU A 35 -5.064 -11.505 1.440 1.00 0.43 H new ATOM 0 HB2 LEU A 35 -2.752 -12.089 0.367 1.00 0.45 H new ATOM 0 HB3 LEU A 35 -3.226 -13.758 0.612 1.00 0.45 H new ATOM 0 HG LEU A 35 -5.069 -13.575 -0.880 1.00 0.50 H new ATOM 0 HD11 LEU A 35 -5.758 -11.456 -1.924 1.00 0.43 H new ATOM 0 HD12 LEU A 35 -5.927 -11.406 -0.153 1.00 0.43 H new ATOM 0 HD13 LEU A 35 -4.558 -10.585 -0.940 1.00 0.43 H new ATOM 0 HD21 LEU A 35 -3.990 -12.822 -2.970 1.00 0.58 H new ATOM 0 HD22 LEU A 35 -2.726 -12.008 -2.018 1.00 0.58 H new ATOM 0 HD23 LEU A 35 -2.879 -13.781 -1.965 1.00 0.58 H new ATOM 283 N GLU A 36 -4.879 -14.156 3.238 1.00 0.55 N ATOM 284 CA GLU A 36 -5.632 -15.279 3.783 1.00 0.60 C ATOM 285 C GLU A 36 -6.847 -14.790 4.564 1.00 0.58 C ATOM 286 O GLU A 36 -7.923 -15.382 4.489 1.00 0.59 O ATOM 287 CB GLU A 36 -4.736 -16.128 4.687 1.00 0.69 C ATOM 288 CG GLU A 36 -5.243 -17.547 4.894 1.00 0.75 C ATOM 289 CD GLU A 36 -4.555 -18.246 6.051 1.00 0.81 C ATOM 290 OE1 GLU A 36 -3.316 -18.393 6.003 1.00 0.89 O ATOM 291 OE2 GLU A 36 -5.256 -18.644 7.005 1.00 1.35 O ATOM 0 H GLU A 36 -4.028 -13.929 3.753 1.00 0.55 H new ATOM 0 HA GLU A 36 -5.980 -15.891 2.951 1.00 0.60 H new ATOM 0 HB2 GLU A 36 -3.735 -16.169 4.257 1.00 0.69 H new ATOM 0 HB3 GLU A 36 -4.646 -15.639 5.657 1.00 0.69 H new ATOM 0 HG2 GLU A 36 -6.318 -17.523 5.075 1.00 0.75 H new ATOM 0 HG3 GLU A 36 -5.087 -18.122 3.981 1.00 0.75 H new ATOM 298 N LYS A 37 -6.668 -13.706 5.314 1.00 0.56 N ATOM 299 CA LYS A 37 -7.756 -13.145 6.106 1.00 0.55 C ATOM 300 C LYS A 37 -8.682 -12.305 5.234 1.00 0.49 C ATOM 301 O LYS A 37 -9.843 -12.086 5.580 1.00 0.49 O ATOM 302 CB LYS A 37 -7.205 -12.316 7.269 1.00 0.58 C ATOM 303 CG LYS A 37 -6.545 -11.015 6.844 1.00 0.56 C ATOM 304 CD LYS A 37 -7.180 -9.821 7.537 1.00 0.84 C ATOM 305 CE LYS A 37 -6.476 -8.525 7.172 1.00 0.91 C ATOM 306 NZ LYS A 37 -5.660 -7.997 8.300 1.00 1.03 N ATOM 0 H LYS A 37 -5.785 -13.202 5.389 1.00 0.56 H new ATOM 0 HA LYS A 37 -8.337 -13.969 6.520 1.00 0.55 H new ATOM 0 HB2 LYS A 37 -8.019 -12.090 7.958 1.00 0.58 H new ATOM 0 HB3 LYS A 37 -6.480 -12.917 7.818 1.00 0.58 H new ATOM 0 HG2 LYS A 37 -5.481 -11.051 7.079 1.00 0.56 H new ATOM 0 HG3 LYS A 37 -6.629 -10.898 5.764 1.00 0.56 H new ATOM 0 HD2 LYS A 37 -8.232 -9.755 7.259 1.00 0.84 H new ATOM 0 HD3 LYS A 37 -7.144 -9.964 8.617 1.00 0.84 H new ATOM 0 HE2 LYS A 37 -5.834 -8.692 6.307 1.00 0.91 H new ATOM 0 HE3 LYS A 37 -7.216 -7.780 6.880 1.00 0.91 H new ATOM 0 HZ1 LYS A 37 -5.197 -7.112 8.009 1.00 1.03 H new ATOM 0 HZ2 LYS A 37 -6.276 -7.813 9.118 1.00 1.03 H new ATOM 0 HZ3 LYS A 37 -4.937 -8.697 8.562 1.00 1.03 H new ATOM 320 N ILE A 38 -8.166 -11.832 4.103 1.00 0.43 N ATOM 321 CA ILE A 38 -8.973 -11.048 3.181 1.00 0.37 C ATOM 322 C ILE A 38 -9.901 -11.971 2.408 1.00 0.34 C ATOM 323 O ILE A 38 -10.990 -11.577 1.991 1.00 0.31 O ATOM 324 CB ILE A 38 -8.113 -10.246 2.188 1.00 0.35 C ATOM 325 CG1 ILE A 38 -7.183 -9.287 2.924 1.00 0.38 C ATOM 326 CG2 ILE A 38 -9.002 -9.474 1.242 1.00 0.32 C ATOM 327 CD1 ILE A 38 -6.120 -8.683 2.034 1.00 0.36 C ATOM 0 H ILE A 38 -7.201 -11.978 3.807 1.00 0.43 H new ATOM 0 HA ILE A 38 -9.547 -10.335 3.774 1.00 0.37 H new ATOM 0 HB ILE A 38 -7.503 -10.948 1.619 1.00 0.35 H new ATOM 0 HG12 ILE A 38 -7.775 -8.486 3.366 1.00 0.38 H new ATOM 0 HG13 ILE A 38 -6.701 -9.818 3.745 1.00 0.38 H new ATOM 0 HG21 ILE A 38 -8.386 -8.909 0.543 1.00 0.32 H new ATOM 0 HG22 ILE A 38 -9.635 -10.168 0.689 1.00 0.32 H new ATOM 0 HG23 ILE A 38 -9.628 -8.787 1.811 1.00 0.32 H new ATOM 0 HD11 ILE A 38 -5.493 -8.011 2.620 1.00 0.36 H new ATOM 0 HD12 ILE A 38 -5.504 -9.477 1.612 1.00 0.36 H new ATOM 0 HD13 ILE A 38 -6.595 -8.125 1.227 1.00 0.36 H new ATOM 339 N GLN A 39 -9.451 -13.209 2.223 1.00 0.37 N ATOM 340 CA GLN A 39 -10.238 -14.211 1.521 1.00 0.37 C ATOM 341 C GLN A 39 -11.441 -14.605 2.367 1.00 0.37 C ATOM 342 O GLN A 39 -12.495 -14.962 1.844 1.00 0.37 O ATOM 343 CB GLN A 39 -9.382 -15.439 1.205 1.00 0.42 C ATOM 344 CG GLN A 39 -10.020 -16.382 0.198 1.00 0.54 C ATOM 345 CD GLN A 39 -9.375 -17.754 0.193 1.00 0.82 C ATOM 346 OE1 GLN A 39 -8.527 -18.051 -0.649 1.00 1.35 O ATOM 347 NE2 GLN A 39 -9.776 -18.600 1.135 1.00 0.97 N ATOM 0 H GLN A 39 -8.544 -13.540 2.551 1.00 0.37 H new ATOM 0 HA GLN A 39 -10.589 -13.789 0.579 1.00 0.37 H new ATOM 0 HB2 GLN A 39 -8.417 -15.110 0.821 1.00 0.42 H new ATOM 0 HB3 GLN A 39 -9.188 -15.984 2.129 1.00 0.42 H new ATOM 0 HG2 GLN A 39 -11.081 -16.485 0.424 1.00 0.54 H new ATOM 0 HG3 GLN A 39 -9.947 -15.947 -0.799 1.00 0.54 H new ATOM 0 HE21 GLN A 39 -10.482 -18.312 1.813 1.00 0.97 H new ATOM 0 HE22 GLN A 39 -9.378 -19.538 1.181 1.00 0.97 H new ATOM 356 N ARG A 40 -11.267 -14.537 3.685 1.00 0.39 N ATOM 357 CA ARG A 40 -12.338 -14.857 4.618 1.00 0.41 C ATOM 358 C ARG A 40 -13.317 -13.696 4.673 1.00 0.41 C ATOM 359 O ARG A 40 -14.518 -13.879 4.863 1.00 0.79 O ATOM 360 CB ARG A 40 -11.762 -15.129 6.011 1.00 0.50 C ATOM 361 CG ARG A 40 -12.217 -16.445 6.626 1.00 0.73 C ATOM 362 CD ARG A 40 -12.010 -17.610 5.674 1.00 0.61 C ATOM 363 NE ARG A 40 -11.107 -18.617 6.220 1.00 0.84 N ATOM 364 CZ ARG A 40 -10.465 -19.499 5.467 1.00 1.09 C ATOM 365 NH1 ARG A 40 -10.651 -19.507 4.153 1.00 1.07 N ATOM 366 NH2 ARG A 40 -9.639 -20.372 6.021 1.00 1.50 N ATOM 0 H ARG A 40 -10.391 -14.262 4.129 1.00 0.39 H new ATOM 0 HA ARG A 40 -12.858 -15.753 4.279 1.00 0.41 H new ATOM 0 HB2 ARG A 40 -10.674 -15.126 5.949 1.00 0.50 H new ATOM 0 HB3 ARG A 40 -12.046 -14.313 6.675 1.00 0.50 H new ATOM 0 HG2 ARG A 40 -11.665 -16.626 7.548 1.00 0.73 H new ATOM 0 HG3 ARG A 40 -13.271 -16.376 6.894 1.00 0.73 H new ATOM 0 HD2 ARG A 40 -12.973 -18.070 5.452 1.00 0.61 H new ATOM 0 HD3 ARG A 40 -11.609 -17.239 4.731 1.00 0.61 H new ATOM 0 HE ARG A 40 -10.963 -18.644 7.229 1.00 0.84 H new ATOM 0 HH11 ARG A 40 -11.287 -18.835 3.724 1.00 1.07 H new ATOM 0 HH12 ARG A 40 -10.158 -20.185 3.572 1.00 1.07 H new ATOM 0 HH21 ARG A 40 -9.495 -20.368 7.031 1.00 1.50 H new ATOM 0 HH22 ARG A 40 -9.147 -21.049 5.438 1.00 1.50 H new ATOM 380 N ALA A 41 -12.785 -12.497 4.491 1.00 0.39 N ATOM 381 CA ALA A 41 -13.597 -11.295 4.506 1.00 0.37 C ATOM 382 C ALA A 41 -14.255 -11.079 3.147 1.00 0.31 C ATOM 383 O ALA A 41 -15.150 -10.247 3.001 1.00 0.29 O ATOM 384 CB ALA A 41 -12.747 -10.095 4.892 1.00 0.40 C ATOM 0 H ALA A 41 -11.791 -12.333 4.331 1.00 0.39 H new ATOM 0 HA ALA A 41 -14.386 -11.412 5.249 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -13.366 -9.198 4.900 1.00 0.40 H new ATOM 0 HB2 ALA A 41 -12.324 -10.253 5.884 1.00 0.40 H new ATOM 0 HB3 ALA A 41 -11.941 -9.973 4.169 1.00 0.40 H new ATOM 390 N ASN A 42 -13.804 -11.845 2.161 1.00 0.33 N ATOM 391 CA ASN A 42 -14.325 -11.750 0.804 1.00 0.32 C ATOM 392 C ASN A 42 -15.717 -12.371 0.688 1.00 0.32 C ATOM 393 O ASN A 42 -16.650 -11.733 0.201 1.00 0.32 O ATOM 394 CB ASN A 42 -13.360 -12.448 -0.156 1.00 0.40 C ATOM 395 CG ASN A 42 -13.499 -11.963 -1.585 1.00 0.44 C ATOM 396 OD1 ASN A 42 -14.502 -12.224 -2.247 1.00 0.90 O ATOM 397 ND2 ASN A 42 -12.484 -11.255 -2.069 1.00 0.49 N ATOM 0 H ASN A 42 -13.072 -12.545 2.279 1.00 0.33 H new ATOM 0 HA ASN A 42 -14.414 -10.695 0.545 1.00 0.32 H new ATOM 0 HB2 ASN A 42 -12.337 -12.283 0.181 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -13.537 -13.523 -0.123 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -12.518 -10.904 -3.026 1.00 0.49 H new ATOM 0 HD22 ASN A 42 -11.671 -11.062 -1.483 1.00 0.49 H new ATOM 404 N GLU A 43 -15.848 -13.617 1.134 1.00 0.41 N ATOM 405 CA GLU A 43 -17.121 -14.332 1.060 1.00 0.46 C ATOM 406 C GLU A 43 -18.042 -14.000 2.236 1.00 0.42 C ATOM 407 O GLU A 43 -19.259 -14.163 2.142 1.00 0.48 O ATOM 408 CB GLU A 43 -16.869 -15.839 1.006 1.00 0.61 C ATOM 409 CG GLU A 43 -16.130 -16.284 -0.246 1.00 0.56 C ATOM 410 CD GLU A 43 -14.679 -16.630 0.025 1.00 0.76 C ATOM 411 OE1 GLU A 43 -14.420 -17.419 0.958 1.00 1.14 O ATOM 412 OE2 GLU A 43 -13.801 -16.111 -0.696 1.00 1.27 O ATOM 0 H GLU A 43 -15.088 -14.154 1.551 1.00 0.41 H new ATOM 0 HA GLU A 43 -17.625 -14.007 0.150 1.00 0.46 H new ATOM 0 HB2 GLU A 43 -16.293 -16.135 1.883 1.00 0.61 H new ATOM 0 HB3 GLU A 43 -17.824 -16.362 1.060 1.00 0.61 H new ATOM 0 HG2 GLU A 43 -16.633 -17.152 -0.671 1.00 0.56 H new ATOM 0 HG3 GLU A 43 -16.177 -15.491 -0.992 1.00 0.56 H new ATOM 419 N LEU A 44 -17.462 -13.540 3.340 1.00 0.39 N ATOM 420 CA LEU A 44 -18.242 -13.195 4.528 1.00 0.38 C ATOM 421 C LEU A 44 -18.674 -11.729 4.485 1.00 0.34 C ATOM 422 O LEU A 44 -19.767 -11.377 4.929 1.00 0.34 O ATOM 423 CB LEU A 44 -17.419 -13.492 5.786 1.00 0.44 C ATOM 424 CG LEU A 44 -17.472 -12.434 6.890 1.00 0.47 C ATOM 425 CD1 LEU A 44 -17.490 -13.096 8.252 1.00 0.57 C ATOM 426 CD2 LEU A 44 -16.269 -11.522 6.800 1.00 0.46 C ATOM 0 H LEU A 44 -16.457 -13.397 3.439 1.00 0.39 H new ATOM 0 HA LEU A 44 -19.147 -13.803 4.550 1.00 0.38 H new ATOM 0 HB2 LEU A 44 -17.759 -14.440 6.203 1.00 0.44 H new ATOM 0 HB3 LEU A 44 -16.379 -13.628 5.491 1.00 0.44 H new ATOM 0 HG LEU A 44 -18.382 -11.849 6.758 1.00 0.47 H new ATOM 0 HD11 LEU A 44 -17.528 -12.331 9.028 1.00 0.57 H new ATOM 0 HD12 LEU A 44 -18.367 -13.738 8.333 1.00 0.57 H new ATOM 0 HD13 LEU A 44 -16.588 -13.696 8.377 1.00 0.57 H new ATOM 0 HD21 LEU A 44 -16.319 -10.774 7.591 1.00 0.46 H new ATOM 0 HD22 LEU A 44 -15.358 -12.109 6.913 1.00 0.46 H new ATOM 0 HD23 LEU A 44 -16.261 -11.024 5.830 1.00 0.46 H new ATOM 438 N MET A 45 -17.810 -10.891 3.921 1.00 0.37 N ATOM 439 CA MET A 45 -18.070 -9.460 3.789 1.00 0.38 C ATOM 440 C MET A 45 -18.695 -8.850 5.044 1.00 0.39 C ATOM 441 O MET A 45 -18.350 -9.205 6.171 1.00 0.48 O ATOM 442 CB MET A 45 -18.999 -9.190 2.607 1.00 0.39 C ATOM 443 CG MET A 45 -19.094 -10.328 1.605 1.00 0.40 C ATOM 444 SD MET A 45 -20.666 -10.361 0.696 1.00 0.47 S ATOM 445 CE MET A 45 -21.832 -9.632 1.857 1.00 0.42 C ATOM 0 H MET A 45 -16.909 -11.184 3.542 1.00 0.37 H new ATOM 0 HA MET A 45 -17.099 -8.992 3.630 1.00 0.38 H new ATOM 0 HB2 MET A 45 -19.997 -8.975 2.988 1.00 0.39 H new ATOM 0 HB3 MET A 45 -18.655 -8.295 2.089 1.00 0.39 H new ATOM 0 HG2 MET A 45 -18.273 -10.244 0.893 1.00 0.40 H new ATOM 0 HG3 MET A 45 -18.966 -11.275 2.129 1.00 0.40 H new ATOM 0 HE1 MET A 45 -22.850 -9.870 1.548 1.00 0.42 H new ATOM 0 HE2 MET A 45 -21.652 -10.034 2.854 1.00 0.42 H new ATOM 0 HE3 MET A 45 -21.701 -8.550 1.873 1.00 0.42 H new ATOM 455 N GLY A 46 -19.619 -7.912 4.817 1.00 0.39 N ATOM 456 CA GLY A 46 -20.296 -7.229 5.905 1.00 0.45 C ATOM 457 C GLY A 46 -20.969 -5.947 5.439 1.00 0.47 C ATOM 458 O GLY A 46 -21.379 -5.119 6.254 1.00 0.51 O ATOM 0 H GLY A 46 -19.910 -7.613 3.886 1.00 0.39 H new ATOM 0 HA2 GLY A 46 -21.042 -7.893 6.342 1.00 0.45 H new ATOM 0 HA3 GLY A 46 -19.577 -6.997 6.691 1.00 0.45 H new ATOM 462 N PHE A 47 -21.080 -5.784 4.118 1.00 0.47 N ATOM 463 CA PHE A 47 -21.706 -4.600 3.537 1.00 0.50 C ATOM 464 C PHE A 47 -23.170 -4.866 3.194 1.00 0.49 C ATOM 465 O PHE A 47 -24.059 -4.107 3.583 1.00 0.57 O ATOM 466 CB PHE A 47 -20.958 -4.153 2.273 1.00 0.52 C ATOM 467 CG PHE A 47 -19.628 -4.825 2.069 1.00 0.52 C ATOM 468 CD1 PHE A 47 -18.565 -4.564 2.919 1.00 0.58 C ATOM 469 CD2 PHE A 47 -19.442 -5.714 1.023 1.00 0.52 C ATOM 470 CE1 PHE A 47 -17.343 -5.178 2.728 1.00 0.60 C ATOM 471 CE2 PHE A 47 -18.223 -6.329 0.827 1.00 0.55 C ATOM 472 CZ PHE A 47 -17.172 -6.062 1.680 1.00 0.58 C ATOM 0 H PHE A 47 -20.743 -6.460 3.432 1.00 0.47 H new ATOM 0 HA PHE A 47 -21.657 -3.805 4.281 1.00 0.50 H new ATOM 0 HB2 PHE A 47 -21.587 -4.348 1.405 1.00 0.52 H new ATOM 0 HB3 PHE A 47 -20.804 -3.075 2.319 1.00 0.52 H new ATOM 0 HD1 PHE A 47 -18.694 -3.873 3.739 1.00 0.58 H new ATOM 0 HD2 PHE A 47 -20.261 -5.928 0.353 1.00 0.52 H new ATOM 0 HE1 PHE A 47 -16.522 -4.967 3.397 1.00 0.60 H new ATOM 0 HE2 PHE A 47 -18.091 -7.019 0.007 1.00 0.55 H new ATOM 0 HZ PHE A 47 -16.217 -6.543 1.529 1.00 0.58 H new ATOM 482 N ASN A 48 -23.410 -5.949 2.462 1.00 0.43 N ATOM 483 CA ASN A 48 -24.761 -6.326 2.052 1.00 0.45 C ATOM 484 C ASN A 48 -25.367 -5.279 1.116 1.00 0.53 C ATOM 485 O ASN A 48 -24.668 -4.711 0.277 1.00 0.56 O ATOM 486 CB ASN A 48 -25.657 -6.536 3.275 1.00 0.49 C ATOM 487 CG ASN A 48 -25.204 -7.712 4.120 1.00 0.48 C ATOM 488 OD1 ASN A 48 -24.773 -8.738 3.594 1.00 0.59 O ATOM 489 ND2 ASN A 48 -25.301 -7.570 5.436 1.00 0.72 N ATOM 0 H ASN A 48 -22.682 -6.586 2.138 1.00 0.43 H new ATOM 0 HA ASN A 48 -24.694 -7.267 1.506 1.00 0.45 H new ATOM 0 HB2 ASN A 48 -25.657 -5.632 3.883 1.00 0.49 H new ATOM 0 HB3 ASN A 48 -26.684 -6.700 2.948 1.00 0.49 H new ATOM 0 HD21 ASN A 48 -25.012 -8.329 6.053 1.00 0.72 H new ATOM 0 HD22 ASN A 48 -25.664 -6.702 5.830 1.00 0.72 H new ATOM 496 N ASP A 49 -26.667 -5.025 1.261 1.00 0.59 N ATOM 497 CA ASP A 49 -27.353 -4.056 0.409 1.00 0.69 C ATOM 498 C ASP A 49 -27.631 -2.750 1.151 1.00 0.76 C ATOM 499 O ASP A 49 -28.768 -2.466 1.529 1.00 0.84 O ATOM 500 CB ASP A 49 -28.661 -4.645 -0.122 1.00 0.75 C ATOM 501 CG ASP A 49 -29.125 -3.966 -1.396 1.00 0.85 C ATOM 502 OD1 ASP A 49 -28.291 -3.776 -2.306 1.00 1.01 O ATOM 503 OD2 ASP A 49 -30.323 -3.624 -1.484 1.00 0.91 O ATOM 0 H ASP A 49 -27.263 -5.474 1.956 1.00 0.59 H new ATOM 0 HA ASP A 49 -26.694 -3.832 -0.429 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -28.527 -5.710 -0.309 1.00 0.75 H new ATOM 0 HB3 ASP A 49 -29.435 -4.550 0.640 1.00 0.75 H new ATOM 508 N SER A 50 -26.581 -1.963 1.351 1.00 0.77 N ATOM 509 CA SER A 50 -26.690 -0.677 2.032 1.00 0.86 C ATOM 510 C SER A 50 -25.473 0.183 1.710 1.00 0.87 C ATOM 511 O SER A 50 -25.600 1.323 1.262 1.00 0.94 O ATOM 512 CB SER A 50 -26.810 -0.877 3.544 1.00 0.88 C ATOM 513 OG SER A 50 -26.149 -2.060 3.958 1.00 0.95 O ATOM 0 H SER A 50 -25.635 -2.195 1.048 1.00 0.77 H new ATOM 0 HA SER A 50 -27.589 -0.170 1.681 1.00 0.86 H new ATOM 0 HB2 SER A 50 -26.383 -0.018 4.062 1.00 0.88 H new ATOM 0 HB3 SER A 50 -27.862 -0.928 3.824 1.00 0.88 H new ATOM 0 HG SER A 50 -26.240 -2.163 4.928 1.00 0.95 H new ATOM 519 N SER A 51 -24.293 -0.382 1.944 1.00 0.82 N ATOM 520 CA SER A 51 -23.034 0.302 1.671 1.00 0.83 C ATOM 521 C SER A 51 -22.047 -0.669 1.026 1.00 0.70 C ATOM 522 O SER A 51 -21.136 -1.172 1.682 1.00 0.65 O ATOM 523 CB SER A 51 -22.445 0.872 2.964 1.00 0.89 C ATOM 524 OG SER A 51 -23.309 1.837 3.540 1.00 1.09 O ATOM 0 H SER A 51 -24.182 -1.321 2.326 1.00 0.82 H new ATOM 0 HA SER A 51 -23.223 1.127 0.984 1.00 0.83 H new ATOM 0 HB2 SER A 51 -22.273 0.064 3.675 1.00 0.89 H new ATOM 0 HB3 SER A 51 -21.476 1.326 2.756 1.00 0.89 H new ATOM 0 HG SER A 51 -22.909 2.183 4.365 1.00 1.09 H new ATOM 530 N PRO A 52 -22.224 -0.941 -0.278 1.00 0.75 N ATOM 531 CA PRO A 52 -21.372 -1.873 -1.026 1.00 0.71 C ATOM 532 C PRO A 52 -19.950 -1.360 -1.222 1.00 0.69 C ATOM 533 O PRO A 52 -19.578 -0.305 -0.706 1.00 0.81 O ATOM 534 CB PRO A 52 -22.075 -2.005 -2.386 1.00 1.00 C ATOM 535 CG PRO A 52 -23.424 -1.392 -2.205 1.00 1.03 C ATOM 536 CD PRO A 52 -23.268 -0.359 -1.128 1.00 0.94 C ATOM 0 HA PRO A 52 -21.260 -2.815 -0.490 1.00 0.71 H new ATOM 0 HB2 PRO A 52 -21.514 -1.493 -3.168 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -22.157 -3.050 -2.685 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -23.774 -0.939 -3.132 1.00 1.03 H new ATOM 0 HG3 PRO A 52 -24.159 -2.144 -1.920 1.00 1.03 H new ATOM 0 HD2 PRO A 52 -22.969 0.608 -1.533 1.00 0.94 H new ATOM 0 HD3 PRO A 52 -24.197 -0.201 -0.580 1.00 0.94 H new ATOM 544 N GLY A 53 -19.159 -2.121 -1.975 1.00 0.62 N ATOM 545 CA GLY A 53 -17.783 -1.741 -2.236 1.00 0.73 C ATOM 546 C GLY A 53 -16.914 -2.924 -2.617 1.00 0.59 C ATOM 547 O GLY A 53 -17.397 -3.898 -3.195 1.00 0.94 O ATOM 0 H GLY A 53 -19.449 -2.997 -2.410 1.00 0.62 H new ATOM 0 HA2 GLY A 53 -17.759 -1.004 -3.039 1.00 0.73 H new ATOM 0 HA3 GLY A 53 -17.368 -1.261 -1.350 1.00 0.73 H new ATOM 551 N CYS A 54 -15.629 -2.841 -2.293 1.00 0.59 N ATOM 552 CA CYS A 54 -14.690 -3.914 -2.608 1.00 0.43 C ATOM 553 C CYS A 54 -14.624 -4.940 -1.479 1.00 0.31 C ATOM 554 O CYS A 54 -14.865 -4.608 -0.318 1.00 0.35 O ATOM 555 CB CYS A 54 -13.297 -3.345 -2.858 1.00 0.43 C ATOM 556 SG CYS A 54 -13.047 -1.671 -2.194 1.00 0.45 S ATOM 0 H CYS A 54 -15.213 -2.043 -1.813 1.00 0.59 H new ATOM 0 HA CYS A 54 -15.047 -4.411 -3.510 1.00 0.43 H new ATOM 0 HB2 CYS A 54 -12.559 -4.014 -2.415 1.00 0.43 H new ATOM 0 HB3 CYS A 54 -13.110 -3.330 -3.932 1.00 0.43 H new ATOM 561 N PRO A 55 -14.298 -6.206 -1.805 1.00 0.29 N ATOM 562 CA PRO A 55 -14.197 -7.272 -0.813 1.00 0.29 C ATOM 563 C PRO A 55 -12.792 -7.417 -0.229 1.00 0.27 C ATOM 564 O PRO A 55 -12.522 -8.357 0.517 1.00 0.45 O ATOM 565 CB PRO A 55 -14.555 -8.502 -1.636 1.00 0.39 C ATOM 566 CG PRO A 55 -14.001 -8.216 -2.992 1.00 0.44 C ATOM 567 CD PRO A 55 -14.033 -6.711 -3.166 1.00 0.40 C ATOM 0 HA PRO A 55 -14.833 -7.094 0.054 1.00 0.29 H new ATOM 0 HB2 PRO A 55 -14.118 -9.405 -1.211 1.00 0.39 H new ATOM 0 HB3 PRO A 55 -15.633 -8.656 -1.672 1.00 0.39 H new ATOM 0 HG2 PRO A 55 -12.983 -8.595 -3.082 1.00 0.44 H new ATOM 0 HG3 PRO A 55 -14.593 -8.708 -3.764 1.00 0.44 H new ATOM 0 HD2 PRO A 55 -13.088 -6.333 -3.556 1.00 0.40 H new ATOM 0 HD3 PRO A 55 -14.812 -6.405 -3.865 1.00 0.40 H new ATOM 575 N GLY A 56 -11.901 -6.491 -0.563 1.00 0.24 N ATOM 576 CA GLY A 56 -10.542 -6.568 -0.049 1.00 0.22 C ATOM 577 C GLY A 56 -9.510 -6.719 -1.147 1.00 0.23 C ATOM 578 O GLY A 56 -9.846 -7.067 -2.279 1.00 0.37 O ATOM 0 H GLY A 56 -12.089 -5.696 -1.173 1.00 0.24 H new ATOM 0 HA2 GLY A 56 -10.324 -5.669 0.527 1.00 0.22 H new ATOM 0 HA3 GLY A 56 -10.464 -7.412 0.636 1.00 0.22 H new ATOM 582 N MET A 57 -8.245 -6.469 -0.816 1.00 0.23 N ATOM 583 CA MET A 57 -7.175 -6.580 -1.798 1.00 0.28 C ATOM 584 C MET A 57 -5.795 -6.521 -1.145 1.00 0.25 C ATOM 585 O MET A 57 -5.639 -6.016 -0.034 1.00 0.24 O ATOM 586 CB MET A 57 -7.301 -5.448 -2.818 1.00 0.37 C ATOM 587 CG MET A 57 -6.627 -5.740 -4.150 1.00 0.45 C ATOM 588 SD MET A 57 -6.174 -4.246 -5.075 1.00 0.53 S ATOM 589 CE MET A 57 -5.684 -3.104 -3.779 1.00 0.49 C ATOM 0 H MET A 57 -7.940 -6.191 0.117 1.00 0.23 H new ATOM 0 HA MET A 57 -7.273 -7.548 -2.290 1.00 0.28 H new ATOM 0 HB2 MET A 57 -8.358 -5.246 -2.993 1.00 0.37 H new ATOM 0 HB3 MET A 57 -6.869 -4.541 -2.395 1.00 0.37 H new ATOM 0 HG2 MET A 57 -5.730 -6.333 -3.972 1.00 0.45 H new ATOM 0 HG3 MET A 57 -7.295 -6.347 -4.761 1.00 0.45 H new ATOM 0 HE1 MET A 57 -5.067 -2.313 -4.205 1.00 0.49 H new ATOM 0 HE2 MET A 57 -6.573 -2.666 -3.325 1.00 0.49 H new ATOM 0 HE3 MET A 57 -5.115 -3.639 -3.019 1.00 0.49 H new ATOM 599 N TRP A 58 -4.796 -7.037 -1.860 1.00 0.32 N ATOM 600 CA TRP A 58 -3.413 -7.042 -1.385 1.00 0.32 C ATOM 601 C TRP A 58 -2.502 -6.483 -2.477 1.00 0.39 C ATOM 602 O TRP A 58 -2.523 -6.961 -3.611 1.00 0.58 O ATOM 603 CB TRP A 58 -2.990 -8.466 -1.001 1.00 0.39 C ATOM 604 CG TRP A 58 -1.504 -8.656 -0.906 1.00 0.41 C ATOM 605 CD1 TRP A 58 -0.718 -9.400 -1.736 1.00 0.48 C ATOM 606 CD2 TRP A 58 -0.630 -8.100 0.081 1.00 0.37 C ATOM 607 NE1 TRP A 58 0.594 -9.334 -1.328 1.00 0.48 N ATOM 608 CE2 TRP A 58 0.673 -8.539 -0.215 1.00 0.41 C ATOM 609 CE3 TRP A 58 -0.825 -7.269 1.183 1.00 0.33 C ATOM 610 CZ2 TRP A 58 1.777 -8.172 0.555 1.00 0.41 C ATOM 611 CZ3 TRP A 58 0.268 -6.906 1.946 1.00 0.34 C ATOM 612 CH2 TRP A 58 1.555 -7.355 1.628 1.00 0.37 C ATOM 0 H TRP A 58 -4.921 -7.461 -2.779 1.00 0.32 H new ATOM 0 HA TRP A 58 -3.330 -6.414 -0.498 1.00 0.32 H new ATOM 0 HB2 TRP A 58 -3.441 -8.722 -0.042 1.00 0.39 H new ATOM 0 HB3 TRP A 58 -3.389 -9.164 -1.737 1.00 0.39 H new ATOM 0 HD1 TRP A 58 -1.074 -9.959 -2.589 1.00 0.48 H new ATOM 0 HE1 TRP A 58 1.380 -9.801 -1.780 1.00 0.48 H new ATOM 0 HE3 TRP A 58 -1.813 -6.915 1.436 1.00 0.33 H new ATOM 0 HZ2 TRP A 58 2.770 -8.520 0.312 1.00 0.41 H new ATOM 0 HZ3 TRP A 58 0.127 -6.264 2.803 1.00 0.34 H new ATOM 0 HH2 TRP A 58 2.389 -7.050 2.243 1.00 0.37 H new ATOM 623 N ASP A 59 -1.703 -5.472 -2.139 1.00 0.36 N ATOM 624 CA ASP A 59 -0.825 -4.847 -3.125 1.00 0.42 C ATOM 625 C ASP A 59 0.646 -5.205 -2.914 1.00 0.44 C ATOM 626 O ASP A 59 0.975 -6.148 -2.193 1.00 0.57 O ATOM 627 CB ASP A 59 -1.020 -3.327 -3.128 1.00 0.48 C ATOM 628 CG ASP A 59 -2.089 -2.898 -4.114 1.00 0.66 C ATOM 629 OD1 ASP A 59 -2.451 -3.714 -4.989 1.00 0.73 O ATOM 630 OD2 ASP A 59 -2.566 -1.749 -4.011 1.00 0.93 O ATOM 0 H ASP A 59 -1.646 -5.073 -1.202 1.00 0.36 H new ATOM 0 HA ASP A 59 -1.106 -5.244 -4.100 1.00 0.42 H new ATOM 0 HB2 ASP A 59 -1.294 -2.994 -2.127 1.00 0.48 H new ATOM 0 HB3 ASP A 59 -0.078 -2.840 -3.379 1.00 0.48 H new ATOM 635 N ASN A 60 1.522 -4.435 -3.555 1.00 0.47 N ATOM 636 CA ASN A 60 2.963 -4.675 -3.501 1.00 0.60 C ATOM 637 C ASN A 60 3.659 -4.012 -2.312 1.00 0.62 C ATOM 638 O ASN A 60 4.880 -3.870 -2.326 1.00 1.26 O ATOM 639 CB ASN A 60 3.611 -4.177 -4.795 1.00 0.76 C ATOM 640 CG ASN A 60 4.214 -5.300 -5.614 1.00 1.04 C ATOM 641 OD1 ASN A 60 5.380 -5.243 -6.005 1.00 1.18 O ATOM 642 ND2 ASN A 60 3.420 -6.330 -5.881 1.00 1.70 N ATOM 0 H ASN A 60 1.256 -3.631 -4.124 1.00 0.47 H new ATOM 0 HA ASN A 60 3.088 -5.751 -3.379 1.00 0.60 H new ATOM 0 HB2 ASN A 60 2.864 -3.656 -5.394 1.00 0.76 H new ATOM 0 HB3 ASN A 60 4.388 -3.452 -4.552 1.00 0.76 H new ATOM 0 HD21 ASN A 60 3.770 -7.115 -6.430 1.00 1.70 H new ATOM 0 HD22 ASN A 60 2.460 -6.336 -5.537 1.00 1.70 H new ATOM 649 N ILE A 61 2.924 -3.602 -1.284 1.00 0.51 N ATOM 650 CA ILE A 61 3.588 -2.973 -0.137 1.00 0.45 C ATOM 651 C ILE A 61 2.686 -2.837 1.087 1.00 0.39 C ATOM 652 O ILE A 61 3.184 -2.728 2.207 1.00 0.54 O ATOM 653 CB ILE A 61 4.137 -1.573 -0.500 1.00 0.40 C ATOM 654 CG1 ILE A 61 5.575 -1.374 0.011 1.00 0.58 C ATOM 655 CG2 ILE A 61 3.228 -0.496 0.074 1.00 0.36 C ATOM 656 CD1 ILE A 61 6.601 -1.197 -1.094 1.00 0.45 C ATOM 0 H ILE A 61 1.910 -3.686 -1.215 1.00 0.51 H new ATOM 0 HA ILE A 61 4.407 -3.645 0.118 1.00 0.45 H new ATOM 0 HB ILE A 61 4.158 -1.495 -1.587 1.00 0.40 H new ATOM 0 HG12 ILE A 61 5.601 -0.500 0.661 1.00 0.58 H new ATOM 0 HG13 ILE A 61 5.856 -2.233 0.620 1.00 0.58 H new ATOM 0 HG21 ILE A 61 3.620 0.487 -0.185 1.00 0.36 H new ATOM 0 HG22 ILE A 61 2.226 -0.607 -0.340 1.00 0.36 H new ATOM 0 HG23 ILE A 61 3.186 -0.595 1.159 1.00 0.36 H new ATOM 0 HD11 ILE A 61 7.589 -1.062 -0.655 1.00 0.45 H new ATOM 0 HD12 ILE A 61 6.605 -2.081 -1.732 1.00 0.45 H new ATOM 0 HD13 ILE A 61 6.346 -0.321 -1.690 1.00 0.45 H new ATOM 668 N THR A 62 1.371 -2.838 0.896 1.00 0.34 N ATOM 669 CA THR A 62 0.462 -2.691 2.030 1.00 0.31 C ATOM 670 C THR A 62 -0.792 -3.545 1.890 1.00 0.26 C ATOM 671 O THR A 62 -1.154 -3.971 0.793 1.00 0.27 O ATOM 672 CB THR A 62 0.040 -1.223 2.220 1.00 0.34 C ATOM 673 OG1 THR A 62 -0.823 -1.107 3.358 1.00 0.35 O ATOM 674 CG2 THR A 62 -0.673 -0.704 0.980 1.00 0.37 C ATOM 0 H THR A 62 0.917 -2.937 -0.012 1.00 0.34 H new ATOM 0 HA THR A 62 1.018 -3.034 2.902 1.00 0.31 H new ATOM 0 HB THR A 62 0.937 -0.625 2.382 1.00 0.34 H new ATOM 0 HG1 THR A 62 -1.754 -1.220 3.075 1.00 0.35 H new ATOM 0 HG21 THR A 62 -0.963 0.335 1.135 1.00 0.37 H new ATOM 0 HG22 THR A 62 -0.005 -0.770 0.122 1.00 0.37 H new ATOM 0 HG23 THR A 62 -1.563 -1.305 0.794 1.00 0.37 H new ATOM 682 N CYS A 63 -1.445 -3.788 3.023 1.00 0.26 N ATOM 683 CA CYS A 63 -2.669 -4.580 3.058 1.00 0.23 C ATOM 684 C CYS A 63 -3.893 -3.672 3.006 1.00 0.23 C ATOM 685 O CYS A 63 -3.912 -2.602 3.615 1.00 0.29 O ATOM 686 CB CYS A 63 -2.701 -5.439 4.324 1.00 0.27 C ATOM 687 SG CYS A 63 -3.781 -6.901 4.216 1.00 0.40 S ATOM 0 H CYS A 63 -1.143 -3.445 3.935 1.00 0.26 H new ATOM 0 HA CYS A 63 -2.687 -5.234 2.186 1.00 0.23 H new ATOM 0 HB2 CYS A 63 -1.687 -5.768 4.551 1.00 0.27 H new ATOM 0 HB3 CYS A 63 -3.030 -4.821 5.159 1.00 0.27 H new ATOM 692 N TRP A 64 -4.914 -4.103 2.277 1.00 0.24 N ATOM 693 CA TRP A 64 -6.134 -3.318 2.147 1.00 0.26 C ATOM 694 C TRP A 64 -7.351 -4.089 2.633 1.00 0.26 C ATOM 695 O TRP A 64 -7.622 -5.201 2.178 1.00 0.33 O ATOM 696 CB TRP A 64 -6.353 -2.897 0.693 1.00 0.29 C ATOM 697 CG TRP A 64 -5.146 -2.286 0.054 1.00 0.33 C ATOM 698 CD1 TRP A 64 -3.987 -2.923 -0.276 1.00 0.34 C ATOM 699 CD2 TRP A 64 -4.977 -0.917 -0.339 1.00 0.38 C ATOM 700 NE1 TRP A 64 -3.106 -2.040 -0.848 1.00 0.39 N ATOM 701 CE2 TRP A 64 -3.690 -0.803 -0.899 1.00 0.41 C ATOM 702 CE3 TRP A 64 -5.786 0.224 -0.273 1.00 0.41 C ATOM 703 CZ2 TRP A 64 -3.192 0.402 -1.391 1.00 0.47 C ATOM 704 CZ3 TRP A 64 -5.288 1.418 -0.763 1.00 0.47 C ATOM 705 CH2 TRP A 64 -4.000 1.494 -1.314 1.00 0.49 C ATOM 0 H TRP A 64 -4.922 -4.987 1.769 1.00 0.24 H new ATOM 0 HA TRP A 64 -6.012 -2.432 2.770 1.00 0.26 H new ATOM 0 HB2 TRP A 64 -6.657 -3.769 0.114 1.00 0.29 H new ATOM 0 HB3 TRP A 64 -7.176 -2.183 0.651 1.00 0.29 H new ATOM 0 HD1 TRP A 64 -3.790 -3.972 -0.111 1.00 0.34 H new ATOM 0 HE1 TRP A 64 -2.169 -2.268 -1.181 1.00 0.39 H new ATOM 0 HE3 TRP A 64 -6.778 0.173 0.151 1.00 0.41 H new ATOM 0 HZ2 TRP A 64 -2.202 0.467 -1.817 1.00 0.47 H new ATOM 0 HZ3 TRP A 64 -5.901 2.306 -0.721 1.00 0.47 H new ATOM 0 HH2 TRP A 64 -3.641 2.442 -1.686 1.00 0.49 H new ATOM 716 N LYS A 65 -8.083 -3.491 3.564 1.00 0.35 N ATOM 717 CA LYS A 65 -9.292 -4.105 4.092 1.00 0.37 C ATOM 718 C LYS A 65 -10.481 -3.740 3.210 1.00 0.35 C ATOM 719 O LYS A 65 -10.443 -2.739 2.495 1.00 0.40 O ATOM 720 CB LYS A 65 -9.549 -3.645 5.528 1.00 0.46 C ATOM 721 CG LYS A 65 -8.683 -4.355 6.565 1.00 0.59 C ATOM 722 CD LYS A 65 -7.465 -3.527 6.975 1.00 0.69 C ATOM 723 CE LYS A 65 -6.159 -4.306 6.844 1.00 0.80 C ATOM 724 NZ LYS A 65 -5.021 -3.406 6.499 1.00 0.65 N ATOM 0 H LYS A 65 -7.860 -2.582 3.968 1.00 0.35 H new ATOM 0 HA LYS A 65 -9.160 -5.187 4.095 1.00 0.37 H new ATOM 0 HB2 LYS A 65 -9.372 -2.572 5.593 1.00 0.46 H new ATOM 0 HB3 LYS A 65 -10.599 -3.810 5.770 1.00 0.46 H new ATOM 0 HG2 LYS A 65 -9.284 -4.573 7.448 1.00 0.59 H new ATOM 0 HG3 LYS A 65 -8.350 -5.311 6.162 1.00 0.59 H new ATOM 0 HD2 LYS A 65 -7.414 -2.631 6.356 1.00 0.69 H new ATOM 0 HD3 LYS A 65 -7.585 -3.196 8.006 1.00 0.69 H new ATOM 0 HE2 LYS A 65 -5.946 -4.822 7.780 1.00 0.80 H new ATOM 0 HE3 LYS A 65 -6.266 -5.071 6.075 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 -4.140 -3.793 6.894 1.00 0.65 H new ATOM 0 HZ2 LYS A 65 -4.935 -3.336 5.465 1.00 0.65 H new ATOM 0 HZ3 LYS A 65 -5.193 -2.461 6.897 1.00 0.65 H new ATOM 738 N PRO A 66 -11.552 -4.546 3.235 1.00 0.32 N ATOM 739 CA PRO A 66 -12.745 -4.278 2.428 1.00 0.30 C ATOM 740 C PRO A 66 -13.232 -2.837 2.575 1.00 0.35 C ATOM 741 O PRO A 66 -13.717 -2.440 3.634 1.00 0.42 O ATOM 742 CB PRO A 66 -13.776 -5.253 2.992 1.00 0.30 C ATOM 743 CG PRO A 66 -12.967 -6.384 3.529 1.00 0.31 C ATOM 744 CD PRO A 66 -11.687 -5.776 4.038 1.00 0.36 C ATOM 0 HA PRO A 66 -12.557 -4.405 1.362 1.00 0.30 H new ATOM 0 HB2 PRO A 66 -14.376 -4.788 3.774 1.00 0.30 H new ATOM 0 HB3 PRO A 66 -14.467 -5.591 2.219 1.00 0.30 H new ATOM 0 HG2 PRO A 66 -13.499 -6.899 4.329 1.00 0.31 H new ATOM 0 HG3 PRO A 66 -12.766 -7.123 2.753 1.00 0.31 H new ATOM 0 HD2 PRO A 66 -11.742 -5.556 5.104 1.00 0.36 H new ATOM 0 HD3 PRO A 66 -10.839 -6.445 3.894 1.00 0.36 H new ATOM 752 N ALA A 67 -13.110 -2.065 1.498 1.00 0.39 N ATOM 753 CA ALA A 67 -13.525 -0.665 1.503 1.00 0.45 C ATOM 754 C ALA A 67 -14.908 -0.476 0.884 1.00 0.48 C ATOM 755 O ALA A 67 -15.485 -1.407 0.323 1.00 0.50 O ATOM 756 CB ALA A 67 -12.502 0.185 0.766 1.00 0.45 C ATOM 0 H ALA A 67 -12.726 -2.386 0.609 1.00 0.39 H new ATOM 0 HA ALA A 67 -13.585 -0.344 2.543 1.00 0.45 H new ATOM 0 HB1 ALA A 67 -12.821 1.227 0.775 1.00 0.45 H new ATOM 0 HB2 ALA A 67 -11.534 0.097 1.258 1.00 0.45 H new ATOM 0 HB3 ALA A 67 -12.418 -0.159 -0.265 1.00 0.45 H new ATOM 762 N HIS A 68 -15.431 0.744 0.999 1.00 0.57 N ATOM 763 CA HIS A 68 -16.746 1.078 0.458 1.00 0.62 C ATOM 764 C HIS A 68 -16.622 1.815 -0.875 1.00 0.66 C ATOM 765 O HIS A 68 -15.520 2.005 -1.390 1.00 0.63 O ATOM 766 CB HIS A 68 -17.521 1.939 1.457 1.00 0.70 C ATOM 767 CG HIS A 68 -17.777 1.253 2.762 1.00 0.66 C ATOM 768 ND1 HIS A 68 -18.852 0.426 3.000 1.00 0.65 N ATOM 769 CD2 HIS A 68 -17.065 1.283 3.916 1.00 0.70 C ATOM 770 CE1 HIS A 68 -18.763 -0.010 4.264 1.00 0.69 C ATOM 771 NE2 HIS A 68 -17.696 0.481 4.864 1.00 0.73 N ATOM 0 H HIS A 68 -14.961 1.520 1.464 1.00 0.57 H new ATOM 0 HA HIS A 68 -17.287 0.148 0.286 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -16.964 2.858 1.641 1.00 0.70 H new ATOM 0 HB3 HIS A 68 -18.474 2.227 1.014 1.00 0.70 H new ATOM 0 HD1 HIS A 68 -19.586 0.188 2.333 1.00 0.65 H new ATOM 0 HD2 HIS A 68 -16.154 1.840 4.075 1.00 0.70 H new ATOM 0 HE1 HIS A 68 -19.473 -0.677 4.731 1.00 0.69 H new ATOM 779 N VAL A 69 -17.760 2.227 -1.428 1.00 0.77 N ATOM 780 CA VAL A 69 -17.782 2.941 -2.701 1.00 0.85 C ATOM 781 C VAL A 69 -17.311 4.384 -2.534 1.00 0.89 C ATOM 782 O VAL A 69 -17.841 5.129 -1.710 1.00 1.03 O ATOM 783 CB VAL A 69 -19.195 2.940 -3.317 1.00 1.02 C ATOM 784 CG1 VAL A 69 -19.210 3.710 -4.629 1.00 1.08 C ATOM 785 CG2 VAL A 69 -19.685 1.515 -3.521 1.00 1.06 C ATOM 0 H VAL A 69 -18.680 2.078 -1.014 1.00 0.77 H new ATOM 0 HA VAL A 69 -17.100 2.417 -3.370 1.00 0.85 H new ATOM 0 HB VAL A 69 -19.873 3.439 -2.625 1.00 1.02 H new ATOM 0 HG11 VAL A 69 -20.217 3.697 -5.047 1.00 1.08 H new ATOM 0 HG12 VAL A 69 -18.905 4.741 -4.449 1.00 1.08 H new ATOM 0 HG13 VAL A 69 -18.519 3.245 -5.332 1.00 1.08 H new ATOM 0 HG21 VAL A 69 -20.684 1.533 -3.957 1.00 1.06 H new ATOM 0 HG22 VAL A 69 -19.006 0.989 -4.192 1.00 1.06 H new ATOM 0 HG23 VAL A 69 -19.717 1.000 -2.561 1.00 1.06 H new ATOM 795 N GLY A 70 -16.315 4.772 -3.327 1.00 0.82 N ATOM 796 CA GLY A 70 -15.785 6.123 -3.250 1.00 0.87 C ATOM 797 C GLY A 70 -14.893 6.318 -2.041 1.00 0.87 C ATOM 798 O GLY A 70 -14.894 7.383 -1.424 1.00 1.07 O ATOM 0 H GLY A 70 -15.866 4.175 -4.021 1.00 0.82 H new ATOM 0 HA2 GLY A 70 -15.220 6.342 -4.156 1.00 0.87 H new ATOM 0 HA3 GLY A 70 -16.610 6.834 -3.209 1.00 0.87 H new ATOM 802 N GLU A 71 -14.129 5.285 -1.704 1.00 0.70 N ATOM 803 CA GLU A 71 -13.238 5.336 -0.554 1.00 0.69 C ATOM 804 C GLU A 71 -11.772 5.339 -0.972 1.00 0.67 C ATOM 805 O GLU A 71 -11.322 4.469 -1.716 1.00 0.73 O ATOM 806 CB GLU A 71 -13.513 4.149 0.370 1.00 0.63 C ATOM 807 CG GLU A 71 -12.345 3.790 1.276 1.00 0.70 C ATOM 808 CD GLU A 71 -12.322 4.613 2.549 1.00 0.89 C ATOM 809 OE1 GLU A 71 -11.951 5.804 2.481 1.00 1.34 O ATOM 810 OE2 GLU A 71 -12.676 4.067 3.615 1.00 1.36 O ATOM 0 H GLU A 71 -14.110 4.401 -2.213 1.00 0.70 H new ATOM 0 HA GLU A 71 -13.434 6.268 -0.024 1.00 0.69 H new ATOM 0 HB2 GLU A 71 -14.383 4.375 0.987 1.00 0.63 H new ATOM 0 HB3 GLU A 71 -13.770 3.281 -0.237 1.00 0.63 H new ATOM 0 HG2 GLU A 71 -12.400 2.732 1.532 1.00 0.70 H new ATOM 0 HG3 GLU A 71 -11.411 3.938 0.735 1.00 0.70 H new ATOM 817 N MET A 72 -11.036 6.331 -0.486 1.00 0.64 N ATOM 818 CA MET A 72 -9.614 6.450 -0.776 1.00 0.64 C ATOM 819 C MET A 72 -8.814 6.144 0.485 1.00 0.62 C ATOM 820 O MET A 72 -8.715 6.978 1.386 1.00 0.67 O ATOM 821 CB MET A 72 -9.288 7.854 -1.283 1.00 0.70 C ATOM 822 CG MET A 72 -8.445 7.862 -2.549 1.00 0.73 C ATOM 823 SD MET A 72 -8.023 9.528 -3.104 1.00 0.82 S ATOM 824 CE MET A 72 -7.172 10.181 -1.667 1.00 0.87 C ATOM 0 H MET A 72 -11.404 7.069 0.115 1.00 0.64 H new ATOM 0 HA MET A 72 -9.347 5.736 -1.555 1.00 0.64 H new ATOM 0 HB2 MET A 72 -10.219 8.388 -1.473 1.00 0.70 H new ATOM 0 HB3 MET A 72 -8.760 8.400 -0.501 1.00 0.70 H new ATOM 0 HG2 MET A 72 -7.528 7.301 -2.372 1.00 0.73 H new ATOM 0 HG3 MET A 72 -8.986 7.347 -3.343 1.00 0.73 H new ATOM 0 HE1 MET A 72 -7.773 10.971 -1.216 1.00 0.87 H new ATOM 0 HE2 MET A 72 -7.019 9.383 -0.941 1.00 0.87 H new ATOM 0 HE3 MET A 72 -6.207 10.587 -1.969 1.00 0.87 H new ATOM 834 N VAL A 73 -8.244 4.947 0.543 1.00 0.56 N ATOM 835 CA VAL A 73 -7.486 4.515 1.712 1.00 0.55 C ATOM 836 C VAL A 73 -6.006 4.892 1.642 1.00 0.55 C ATOM 837 O VAL A 73 -5.273 4.412 0.778 1.00 0.71 O ATOM 838 CB VAL A 73 -7.591 2.988 1.900 1.00 0.54 C ATOM 839 CG1 VAL A 73 -7.379 2.613 3.359 1.00 0.62 C ATOM 840 CG2 VAL A 73 -8.932 2.472 1.399 1.00 0.61 C ATOM 0 H VAL A 73 -8.292 4.257 -0.206 1.00 0.56 H new ATOM 0 HA VAL A 73 -7.930 5.038 2.559 1.00 0.55 H new ATOM 0 HB VAL A 73 -6.806 2.517 1.308 1.00 0.54 H new ATOM 0 HG11 VAL A 73 -7.457 1.532 3.472 1.00 0.62 H new ATOM 0 HG12 VAL A 73 -6.390 2.941 3.679 1.00 0.62 H new ATOM 0 HG13 VAL A 73 -8.138 3.097 3.973 1.00 0.62 H new ATOM 0 HG21 VAL A 73 -8.983 1.393 1.542 1.00 0.61 H new ATOM 0 HG22 VAL A 73 -9.737 2.950 1.957 1.00 0.61 H new ATOM 0 HG23 VAL A 73 -9.038 2.703 0.339 1.00 0.61 H new ATOM 850 N LEU A 74 -5.574 5.756 2.562 1.00 0.61 N ATOM 851 CA LEU A 74 -4.171 6.157 2.637 1.00 0.58 C ATOM 852 C LEU A 74 -3.511 5.424 3.801 1.00 0.59 C ATOM 853 O LEU A 74 -3.679 5.808 4.959 1.00 0.70 O ATOM 854 CB LEU A 74 -4.029 7.675 2.837 1.00 0.61 C ATOM 855 CG LEU A 74 -4.157 8.526 1.567 1.00 0.66 C ATOM 856 CD1 LEU A 74 -5.447 9.328 1.597 1.00 0.75 C ATOM 857 CD2 LEU A 74 -2.954 9.458 1.410 1.00 0.71 C ATOM 0 H LEU A 74 -6.175 6.190 3.263 1.00 0.61 H new ATOM 0 HA LEU A 74 -3.685 5.897 1.697 1.00 0.58 H new ATOM 0 HB2 LEU A 74 -4.786 8.002 3.550 1.00 0.61 H new ATOM 0 HB3 LEU A 74 -3.058 7.874 3.290 1.00 0.61 H new ATOM 0 HG LEU A 74 -4.181 7.855 0.708 1.00 0.66 H new ATOM 0 HD11 LEU A 74 -5.524 9.927 0.690 1.00 0.75 H new ATOM 0 HD12 LEU A 74 -6.297 8.648 1.656 1.00 0.75 H new ATOM 0 HD13 LEU A 74 -5.447 9.985 2.467 1.00 0.75 H new ATOM 0 HD21 LEU A 74 -3.069 10.050 0.502 1.00 0.71 H new ATOM 0 HD22 LEU A 74 -2.894 10.123 2.272 1.00 0.71 H new ATOM 0 HD23 LEU A 74 -2.041 8.866 1.344 1.00 0.71 H new ATOM 869 N VAL A 75 -2.763 4.369 3.496 1.00 0.55 N ATOM 870 CA VAL A 75 -2.098 3.586 4.533 1.00 0.55 C ATOM 871 C VAL A 75 -0.586 3.801 4.499 1.00 0.55 C ATOM 872 O VAL A 75 0.088 3.403 3.548 1.00 0.56 O ATOM 873 CB VAL A 75 -2.408 2.081 4.372 1.00 0.54 C ATOM 874 CG1 VAL A 75 -3.548 1.651 5.289 1.00 0.58 C ATOM 875 CG2 VAL A 75 -2.747 1.764 2.925 1.00 0.54 C ATOM 0 H VAL A 75 -2.602 4.037 2.545 1.00 0.55 H new ATOM 0 HA VAL A 75 -2.481 3.927 5.495 1.00 0.55 H new ATOM 0 HB VAL A 75 -1.517 1.522 4.657 1.00 0.54 H new ATOM 0 HG11 VAL A 75 -3.743 0.587 5.153 1.00 0.58 H new ATOM 0 HG12 VAL A 75 -3.271 1.839 6.326 1.00 0.58 H new ATOM 0 HG13 VAL A 75 -4.446 2.219 5.044 1.00 0.58 H new ATOM 0 HG21 VAL A 75 -2.963 0.700 2.827 1.00 0.54 H new ATOM 0 HG22 VAL A 75 -3.620 2.341 2.621 1.00 0.54 H new ATOM 0 HG23 VAL A 75 -1.901 2.023 2.288 1.00 0.54 H new ATOM 885 N SER A 76 -0.059 4.416 5.557 1.00 0.58 N ATOM 886 CA SER A 76 1.373 4.697 5.647 1.00 0.60 C ATOM 887 C SER A 76 2.095 3.696 6.538 1.00 0.60 C ATOM 888 O SER A 76 1.474 2.969 7.314 1.00 0.63 O ATOM 889 CB SER A 76 1.609 6.107 6.190 1.00 0.67 C ATOM 890 OG SER A 76 2.885 6.589 5.807 1.00 1.45 O ATOM 0 H SER A 76 -0.601 4.729 6.362 1.00 0.58 H new ATOM 0 HA SER A 76 1.776 4.614 4.638 1.00 0.60 H new ATOM 0 HB2 SER A 76 0.835 6.779 5.818 1.00 0.67 H new ATOM 0 HB3 SER A 76 1.529 6.100 7.277 1.00 0.67 H new ATOM 0 HG SER A 76 2.899 7.567 5.873 1.00 1.45 H new ATOM 896 N CYS A 77 3.420 3.678 6.424 1.00 0.60 N ATOM 897 CA CYS A 77 4.249 2.778 7.219 1.00 0.63 C ATOM 898 C CYS A 77 4.425 3.301 8.642 1.00 0.70 C ATOM 899 O CYS A 77 4.529 4.510 8.855 1.00 0.75 O ATOM 900 CB CYS A 77 5.623 2.606 6.570 1.00 0.62 C ATOM 901 SG CYS A 77 5.884 3.631 5.085 1.00 0.59 S ATOM 0 H CYS A 77 3.944 4.278 5.787 1.00 0.60 H new ATOM 0 HA CYS A 77 3.742 1.814 7.261 1.00 0.63 H new ATOM 0 HB2 CYS A 77 6.392 2.848 7.304 1.00 0.62 H new ATOM 0 HB3 CYS A 77 5.757 1.558 6.302 1.00 0.62 H new ATOM 906 N PRO A 78 4.460 2.399 9.644 1.00 0.80 N ATOM 907 CA PRO A 78 4.643 2.801 11.040 1.00 0.93 C ATOM 908 C PRO A 78 5.982 3.509 11.255 1.00 0.86 C ATOM 909 O PRO A 78 7.045 2.917 11.071 1.00 0.90 O ATOM 910 CB PRO A 78 4.600 1.479 11.817 1.00 1.07 C ATOM 911 CG PRO A 78 3.959 0.497 10.896 1.00 1.08 C ATOM 912 CD PRO A 78 4.313 0.935 9.504 1.00 0.89 C ATOM 0 HA PRO A 78 3.882 3.511 11.363 1.00 0.93 H new ATOM 0 HB2 PRO A 78 5.602 1.157 12.099 1.00 1.07 H new ATOM 0 HB3 PRO A 78 4.028 1.584 12.739 1.00 1.07 H new ATOM 0 HG2 PRO A 78 4.321 -0.513 11.090 1.00 1.08 H new ATOM 0 HG3 PRO A 78 2.878 0.480 11.036 1.00 1.08 H new ATOM 0 HD2 PRO A 78 5.234 0.468 9.156 1.00 0.89 H new ATOM 0 HD3 PRO A 78 3.533 0.674 8.788 1.00 0.89 H new ATOM 920 N GLU A 79 5.921 4.780 11.648 1.00 0.89 N ATOM 921 CA GLU A 79 7.125 5.578 11.877 1.00 0.90 C ATOM 922 C GLU A 79 7.865 5.821 10.564 1.00 0.94 C ATOM 923 O GLU A 79 8.639 4.979 10.108 1.00 1.29 O ATOM 924 CB GLU A 79 8.050 4.897 12.889 1.00 0.89 C ATOM 925 CG GLU A 79 8.160 5.650 14.208 1.00 1.18 C ATOM 926 CD GLU A 79 8.424 7.131 14.015 1.00 1.55 C ATOM 927 OE1 GLU A 79 9.427 7.476 13.355 1.00 1.79 O ATOM 928 OE2 GLU A 79 7.628 7.948 14.526 1.00 2.09 O ATOM 0 H GLU A 79 5.048 5.281 11.815 1.00 0.89 H new ATOM 0 HA GLU A 79 6.818 6.540 12.288 1.00 0.90 H new ATOM 0 HB2 GLU A 79 7.684 3.889 13.084 1.00 0.89 H new ATOM 0 HB3 GLU A 79 9.044 4.797 12.452 1.00 0.89 H new ATOM 0 HG2 GLU A 79 7.238 5.520 14.774 1.00 1.18 H new ATOM 0 HG3 GLU A 79 8.963 5.216 14.804 1.00 1.18 H new ATOM 935 N LEU A 80 7.621 6.984 9.967 1.00 1.24 N ATOM 936 CA LEU A 80 8.242 7.347 8.697 1.00 1.29 C ATOM 937 C LEU A 80 9.701 7.759 8.873 1.00 1.39 C ATOM 938 O LEU A 80 10.400 8.016 7.894 1.00 1.57 O ATOM 939 CB LEU A 80 7.458 8.483 8.038 1.00 1.66 C ATOM 940 CG LEU A 80 6.106 8.077 7.450 1.00 2.34 C ATOM 941 CD1 LEU A 80 5.296 9.308 7.075 1.00 2.71 C ATOM 942 CD2 LEU A 80 6.303 7.176 6.240 1.00 2.95 C ATOM 0 H LEU A 80 6.994 7.695 10.345 1.00 1.24 H new ATOM 0 HA LEU A 80 8.221 6.465 8.057 1.00 1.29 H new ATOM 0 HB2 LEU A 80 7.295 9.268 8.776 1.00 1.66 H new ATOM 0 HB3 LEU A 80 8.068 8.913 7.244 1.00 1.66 H new ATOM 0 HG LEU A 80 5.552 7.521 8.207 1.00 2.34 H new ATOM 0 HD11 LEU A 80 4.337 9.000 6.658 1.00 2.71 H new ATOM 0 HD12 LEU A 80 5.127 9.917 7.963 1.00 2.71 H new ATOM 0 HD13 LEU A 80 5.843 9.891 6.334 1.00 2.71 H new ATOM 0 HD21 LEU A 80 5.331 6.896 5.833 1.00 2.95 H new ATOM 0 HD22 LEU A 80 6.875 7.708 5.480 1.00 2.95 H new ATOM 0 HD23 LEU A 80 6.844 6.278 6.539 1.00 2.95 H new ATOM 954 N PHE A 81 10.156 7.825 10.118 1.00 1.54 N ATOM 955 CA PHE A 81 11.536 8.204 10.400 1.00 1.73 C ATOM 956 C PHE A 81 12.350 6.992 10.834 1.00 1.63 C ATOM 957 O PHE A 81 13.552 6.914 10.580 1.00 1.89 O ATOM 958 CB PHE A 81 11.586 9.285 11.481 1.00 1.99 C ATOM 959 CG PHE A 81 11.602 10.682 10.929 1.00 2.64 C ATOM 960 CD1 PHE A 81 10.421 11.312 10.571 1.00 3.15 C ATOM 961 CD2 PHE A 81 12.798 11.364 10.766 1.00 3.33 C ATOM 962 CE1 PHE A 81 10.432 12.597 10.063 1.00 3.99 C ATOM 963 CE2 PHE A 81 12.814 12.649 10.258 1.00 4.14 C ATOM 964 CZ PHE A 81 11.630 13.266 9.905 1.00 4.37 C ATOM 0 H PHE A 81 9.594 7.622 10.945 1.00 1.54 H new ATOM 0 HA PHE A 81 11.971 8.604 9.484 1.00 1.73 H new ATOM 0 HB2 PHE A 81 10.723 9.172 12.137 1.00 1.99 H new ATOM 0 HB3 PHE A 81 12.475 9.134 12.094 1.00 1.99 H new ATOM 0 HD1 PHE A 81 9.481 10.793 10.690 1.00 3.15 H new ATOM 0 HD2 PHE A 81 13.727 10.886 11.039 1.00 3.33 H new ATOM 0 HE1 PHE A 81 9.504 13.078 9.790 1.00 3.99 H new ATOM 0 HE2 PHE A 81 13.752 13.171 10.137 1.00 4.14 H new ATOM 0 HZ PHE A 81 11.641 14.270 9.506 1.00 4.37 H new ATOM 974 N ARG A 82 11.685 6.047 11.490 1.00 1.38 N ATOM 975 CA ARG A 82 12.344 4.835 11.959 1.00 1.35 C ATOM 976 C ARG A 82 11.699 3.594 11.351 1.00 1.12 C ATOM 977 O ARG A 82 11.004 2.846 12.037 1.00 1.26 O ATOM 978 CB ARG A 82 12.286 4.756 13.485 1.00 1.50 C ATOM 979 CG ARG A 82 13.088 5.842 14.183 1.00 1.68 C ATOM 980 CD ARG A 82 12.229 6.625 15.162 1.00 1.70 C ATOM 981 NE ARG A 82 12.886 7.850 15.608 1.00 2.15 N ATOM 982 CZ ARG A 82 12.230 8.946 15.973 1.00 2.56 C ATOM 983 NH1 ARG A 82 10.905 8.969 15.944 1.00 2.68 N ATOM 984 NH2 ARG A 82 12.899 10.021 16.368 1.00 3.21 N ATOM 0 H ARG A 82 10.690 6.098 11.709 1.00 1.38 H new ATOM 0 HA ARG A 82 13.386 4.873 11.642 1.00 1.35 H new ATOM 0 HB2 ARG A 82 11.246 4.822 13.804 1.00 1.50 H new ATOM 0 HB3 ARG A 82 12.656 3.782 13.804 1.00 1.50 H new ATOM 0 HG2 ARG A 82 13.928 5.392 14.713 1.00 1.68 H new ATOM 0 HG3 ARG A 82 13.507 6.521 13.440 1.00 1.68 H new ATOM 0 HD2 ARG A 82 11.278 6.874 14.691 1.00 1.70 H new ATOM 0 HD3 ARG A 82 12.002 6.000 16.026 1.00 1.70 H new ATOM 0 HE ARG A 82 13.905 7.865 15.641 1.00 2.15 H new ATOM 0 HH11 ARG A 82 10.387 8.144 15.641 1.00 2.68 H new ATOM 0 HH12 ARG A 82 10.403 9.812 16.225 1.00 2.68 H new ATOM 0 HH21 ARG A 82 13.919 10.007 16.392 1.00 3.21 H new ATOM 0 HH22 ARG A 82 12.394 10.862 16.648 1.00 3.21 H new ATOM 998 N ILE A 83 11.930 3.384 10.059 1.00 1.03 N ATOM 999 CA ILE A 83 11.376 2.228 9.366 1.00 1.02 C ATOM 1000 C ILE A 83 12.313 1.031 9.480 1.00 1.29 C ATOM 1001 O ILE A 83 13.200 0.842 8.648 1.00 1.41 O ATOM 1002 CB ILE A 83 11.117 2.527 7.876 1.00 1.12 C ATOM 1003 CG1 ILE A 83 10.530 3.932 7.712 1.00 1.19 C ATOM 1004 CG2 ILE A 83 10.185 1.478 7.285 1.00 1.35 C ATOM 1005 CD1 ILE A 83 10.089 4.247 6.297 1.00 1.39 C ATOM 0 H ILE A 83 12.496 3.998 9.473 1.00 1.03 H new ATOM 0 HA ILE A 83 10.425 1.996 9.845 1.00 1.02 H new ATOM 0 HB ILE A 83 12.064 2.488 7.337 1.00 1.12 H new ATOM 0 HG12 ILE A 83 9.677 4.040 8.382 1.00 1.19 H new ATOM 0 HG13 ILE A 83 11.274 4.665 8.023 1.00 1.19 H new ATOM 0 HG21 ILE A 83 10.009 1.699 6.232 1.00 1.35 H new ATOM 0 HG22 ILE A 83 10.641 0.492 7.377 1.00 1.35 H new ATOM 0 HG23 ILE A 83 9.236 1.490 7.822 1.00 1.35 H new ATOM 0 HD11 ILE A 83 9.684 5.258 6.259 1.00 1.39 H new ATOM 0 HD12 ILE A 83 10.944 4.172 5.624 1.00 1.39 H new ATOM 0 HD13 ILE A 83 9.321 3.537 5.989 1.00 1.39 H new ATOM 1017 N PHE A 84 12.110 0.227 10.519 1.00 1.55 N ATOM 1018 CA PHE A 84 12.941 -0.949 10.752 1.00 1.93 C ATOM 1019 C PHE A 84 12.140 -2.235 10.570 1.00 1.98 C ATOM 1020 O PHE A 84 12.121 -2.817 9.485 1.00 2.37 O ATOM 1021 CB PHE A 84 13.533 -0.904 12.161 1.00 2.23 C ATOM 1022 CG PHE A 84 14.929 -0.352 12.210 1.00 2.52 C ATOM 1023 CD1 PHE A 84 15.151 1.014 12.142 1.00 2.90 C ATOM 1024 CD2 PHE A 84 16.018 -1.200 12.327 1.00 3.10 C ATOM 1025 CE1 PHE A 84 16.435 1.524 12.188 1.00 3.53 C ATOM 1026 CE2 PHE A 84 17.304 -0.696 12.373 1.00 3.75 C ATOM 1027 CZ PHE A 84 17.513 0.668 12.304 1.00 3.86 C ATOM 0 H PHE A 84 11.377 0.369 11.214 1.00 1.55 H new ATOM 0 HA PHE A 84 13.748 -0.941 10.019 1.00 1.93 H new ATOM 0 HB2 PHE A 84 12.889 -0.297 12.797 1.00 2.23 H new ATOM 0 HB3 PHE A 84 13.535 -1.911 12.578 1.00 2.23 H new ATOM 0 HD1 PHE A 84 14.312 1.688 12.052 1.00 2.90 H new ATOM 0 HD2 PHE A 84 15.860 -2.267 12.383 1.00 3.10 H new ATOM 0 HE1 PHE A 84 16.595 2.591 12.133 1.00 3.53 H new ATOM 0 HE2 PHE A 84 18.145 -1.368 12.463 1.00 3.75 H new ATOM 0 HZ PHE A 84 18.517 1.064 12.341 1.00 3.86 H new ATOM 1037 N ASN A 85 11.483 -2.672 11.639 1.00 1.95 N ATOM 1038 CA ASN A 85 10.685 -3.894 11.597 1.00 2.00 C ATOM 1039 C ASN A 85 9.324 -3.638 10.954 1.00 1.72 C ATOM 1040 O ASN A 85 8.526 -2.857 11.469 1.00 1.93 O ATOM 1041 CB ASN A 85 10.493 -4.449 13.010 1.00 2.56 C ATOM 1042 CG ASN A 85 9.707 -5.743 13.012 1.00 2.71 C ATOM 1043 OD1 ASN A 85 10.106 -6.725 12.387 1.00 2.52 O ATOM 1044 ND2 ASN A 85 8.579 -5.750 13.712 1.00 3.32 N ATOM 0 H ASN A 85 11.487 -2.200 12.543 1.00 1.95 H new ATOM 0 HA ASN A 85 11.221 -4.625 10.992 1.00 2.00 H new ATOM 0 HB2 ASN A 85 11.468 -4.617 13.469 1.00 2.56 H new ATOM 0 HB3 ASN A 85 9.976 -3.710 13.622 1.00 2.56 H new ATOM 0 HD21 ASN A 85 8.005 -6.593 13.746 1.00 3.32 H new ATOM 0 HD22 ASN A 85 8.286 -4.913 14.215 1.00 3.32 H new ATOM 1051 N PRO A 86 9.041 -4.291 9.811 1.00 1.80 N ATOM 1052 CA PRO A 86 7.775 -4.128 9.108 1.00 2.03 C ATOM 1053 C PRO A 86 6.701 -5.109 9.565 1.00 1.74 C ATOM 1054 O PRO A 86 6.792 -6.308 9.304 1.00 1.89 O ATOM 1055 CB PRO A 86 8.160 -4.411 7.662 1.00 2.72 C ATOM 1056 CG PRO A 86 9.290 -5.388 7.742 1.00 2.78 C ATOM 1057 CD PRO A 86 9.938 -5.221 9.100 1.00 2.29 C ATOM 0 HA PRO A 86 7.339 -3.144 9.283 1.00 2.03 H new ATOM 0 HB2 PRO A 86 7.320 -4.825 7.104 1.00 2.72 H new ATOM 0 HB3 PRO A 86 8.464 -3.498 7.149 1.00 2.72 H new ATOM 0 HG2 PRO A 86 8.926 -6.407 7.613 1.00 2.78 H new ATOM 0 HG3 PRO A 86 10.013 -5.205 6.947 1.00 2.78 H new ATOM 0 HD2 PRO A 86 10.021 -6.174 9.623 1.00 2.29 H new ATOM 0 HD3 PRO A 86 10.946 -4.816 9.014 1.00 2.29 H new ATOM 1065 N ASP A 87 5.684 -4.591 10.244 1.00 1.59 N ATOM 1066 CA ASP A 87 4.581 -5.419 10.715 1.00 1.36 C ATOM 1067 C ASP A 87 3.553 -5.592 9.603 1.00 1.05 C ATOM 1068 O ASP A 87 3.364 -6.690 9.080 1.00 1.09 O ATOM 1069 CB ASP A 87 3.922 -4.788 11.943 1.00 1.59 C ATOM 1070 CG ASP A 87 2.765 -5.616 12.467 1.00 1.74 C ATOM 1071 OD1 ASP A 87 2.934 -6.844 12.618 1.00 1.99 O ATOM 1072 OD2 ASP A 87 1.688 -5.036 12.725 1.00 2.36 O ATOM 0 H ASP A 87 5.601 -3.602 10.480 1.00 1.59 H new ATOM 0 HA ASP A 87 4.974 -6.396 10.997 1.00 1.36 H new ATOM 0 HB2 ASP A 87 4.666 -4.669 12.731 1.00 1.59 H new ATOM 0 HB3 ASP A 87 3.565 -3.790 11.688 1.00 1.59 H new ATOM 1077 N GLN A 88 2.895 -4.492 9.247 1.00 0.84 N ATOM 1078 CA GLN A 88 1.895 -4.501 8.185 1.00 0.70 C ATOM 1079 C GLN A 88 1.431 -3.081 7.859 1.00 0.61 C ATOM 1080 O GLN A 88 1.543 -2.175 8.684 1.00 0.58 O ATOM 1081 CB GLN A 88 0.701 -5.377 8.578 1.00 0.89 C ATOM 1082 CG GLN A 88 -0.382 -4.635 9.342 1.00 1.28 C ATOM 1083 CD GLN A 88 -1.488 -5.556 9.823 1.00 1.46 C ATOM 1084 OE1 GLN A 88 -2.669 -5.298 9.594 1.00 1.72 O ATOM 1085 NE2 GLN A 88 -1.107 -6.638 10.493 1.00 1.95 N ATOM 0 H GLN A 88 3.038 -3.580 9.681 1.00 0.84 H new ATOM 0 HA GLN A 88 2.355 -4.922 7.291 1.00 0.70 H new ATOM 0 HB2 GLN A 88 0.266 -5.807 7.676 1.00 0.89 H new ATOM 0 HB3 GLN A 88 1.057 -6.208 9.187 1.00 0.89 H new ATOM 0 HG2 GLN A 88 0.064 -4.129 10.199 1.00 1.28 H new ATOM 0 HG3 GLN A 88 -0.809 -3.863 8.702 1.00 1.28 H new ATOM 0 HE21 GLN A 88 -0.116 -6.812 10.660 1.00 1.95 H new ATOM 0 HE22 GLN A 88 -1.806 -7.295 10.841 1.00 1.95 H new ATOM 1094 N ASP A 89 0.915 -2.899 6.647 1.00 0.66 N ATOM 1095 CA ASP A 89 0.435 -1.594 6.193 1.00 0.69 C ATOM 1096 C ASP A 89 1.582 -0.593 6.059 1.00 0.63 C ATOM 1097 O ASP A 89 1.921 0.115 7.010 1.00 0.70 O ATOM 1098 CB ASP A 89 -0.634 -1.052 7.145 1.00 0.74 C ATOM 1099 CG ASP A 89 -2.001 -1.649 6.868 1.00 0.79 C ATOM 1100 OD1 ASP A 89 -2.075 -2.627 6.095 1.00 1.20 O ATOM 1101 OD2 ASP A 89 -2.997 -1.138 7.422 1.00 1.35 O ATOM 0 H ASP A 89 0.817 -3.643 5.956 1.00 0.66 H new ATOM 0 HA ASP A 89 -0.009 -1.730 5.207 1.00 0.69 H new ATOM 0 HB2 ASP A 89 -0.346 -1.269 8.174 1.00 0.74 H new ATOM 0 HB3 ASP A 89 -0.687 0.033 7.050 1.00 0.74 H new ATOM 1106 N MET A 90 2.169 -0.539 4.863 1.00 0.58 N ATOM 1107 CA MET A 90 3.279 0.372 4.585 1.00 0.54 C ATOM 1108 C MET A 90 3.058 1.143 3.279 1.00 0.53 C ATOM 1109 O MET A 90 2.186 0.801 2.482 1.00 0.66 O ATOM 1110 CB MET A 90 4.594 -0.409 4.502 1.00 0.63 C ATOM 1111 CG MET A 90 4.717 -1.518 5.536 1.00 0.74 C ATOM 1112 SD MET A 90 6.406 -2.134 5.697 1.00 0.88 S ATOM 1113 CE MET A 90 7.203 -0.749 6.506 1.00 0.88 C ATOM 0 H MET A 90 1.893 -1.117 4.069 1.00 0.58 H new ATOM 0 HA MET A 90 3.330 1.091 5.403 1.00 0.54 H new ATOM 0 HB2 MET A 90 4.686 -0.842 3.506 1.00 0.63 H new ATOM 0 HB3 MET A 90 5.426 0.284 4.626 1.00 0.63 H new ATOM 0 HG2 MET A 90 4.376 -1.148 6.503 1.00 0.74 H new ATOM 0 HG3 MET A 90 4.059 -2.342 5.260 1.00 0.74 H new ATOM 0 HE1 MET A 90 8.130 -1.084 6.971 1.00 0.88 H new ATOM 0 HE2 MET A 90 7.424 0.024 5.770 1.00 0.88 H new ATOM 0 HE3 MET A 90 6.540 -0.343 7.270 1.00 0.88 H new ATOM 1123 N GLY A 91 3.855 2.192 3.077 1.00 0.49 N ATOM 1124 CA GLY A 91 3.746 2.993 1.870 1.00 0.51 C ATOM 1125 C GLY A 91 2.362 3.579 1.682 1.00 0.50 C ATOM 1126 O GLY A 91 1.454 2.901 1.200 1.00 0.56 O ATOM 0 H GLY A 91 4.575 2.501 3.730 1.00 0.49 H new ATOM 0 HA2 GLY A 91 4.476 3.801 1.908 1.00 0.51 H new ATOM 0 HA3 GLY A 91 3.996 2.377 1.006 1.00 0.51 H new ATOM 1130 N VAL A 92 2.201 4.846 2.053 1.00 0.49 N ATOM 1131 CA VAL A 92 0.914 5.514 1.928 1.00 0.54 C ATOM 1132 C VAL A 92 0.516 5.712 0.472 1.00 0.60 C ATOM 1133 O VAL A 92 0.988 6.628 -0.204 1.00 0.84 O ATOM 1134 CB VAL A 92 0.892 6.869 2.664 1.00 0.61 C ATOM 1135 CG1 VAL A 92 2.225 7.590 2.536 1.00 0.62 C ATOM 1136 CG2 VAL A 92 -0.249 7.743 2.155 1.00 0.85 C ATOM 0 H VAL A 92 2.944 5.427 2.441 1.00 0.49 H new ATOM 0 HA VAL A 92 0.185 4.855 2.399 1.00 0.54 H new ATOM 0 HB VAL A 92 0.724 6.670 3.722 1.00 0.61 H new ATOM 0 HG11 VAL A 92 2.176 8.541 3.066 1.00 0.62 H new ATOM 0 HG12 VAL A 92 3.014 6.975 2.967 1.00 0.62 H new ATOM 0 HG13 VAL A 92 2.441 7.771 1.483 1.00 0.62 H new ATOM 0 HG21 VAL A 92 -0.245 8.694 2.688 1.00 0.85 H new ATOM 0 HG22 VAL A 92 -0.120 7.925 1.088 1.00 0.85 H new ATOM 0 HG23 VAL A 92 -1.199 7.236 2.324 1.00 0.85 H new ATOM 1146 N VAL A 93 -0.359 4.827 0.008 1.00 0.48 N ATOM 1147 CA VAL A 93 -0.877 4.866 -1.352 1.00 0.50 C ATOM 1148 C VAL A 93 -2.398 4.951 -1.309 1.00 0.53 C ATOM 1149 O VAL A 93 -3.055 4.104 -0.703 1.00 0.55 O ATOM 1150 CB VAL A 93 -0.441 3.626 -2.156 1.00 0.47 C ATOM 1151 CG1 VAL A 93 -0.457 2.388 -1.282 1.00 0.42 C ATOM 1152 CG2 VAL A 93 -1.318 3.430 -3.379 1.00 0.51 C ATOM 0 H VAL A 93 -0.730 4.059 0.568 1.00 0.48 H new ATOM 0 HA VAL A 93 -0.470 5.745 -1.851 1.00 0.50 H new ATOM 0 HB VAL A 93 0.580 3.792 -2.499 1.00 0.47 H new ATOM 0 HG11 VAL A 93 -0.146 1.524 -1.869 1.00 0.42 H new ATOM 0 HG12 VAL A 93 0.229 2.524 -0.446 1.00 0.42 H new ATOM 0 HG13 VAL A 93 -1.465 2.224 -0.902 1.00 0.42 H new ATOM 0 HG21 VAL A 93 -0.987 2.548 -3.927 1.00 0.51 H new ATOM 0 HG22 VAL A 93 -2.354 3.295 -3.066 1.00 0.51 H new ATOM 0 HG23 VAL A 93 -1.245 4.306 -4.024 1.00 0.51 H new ATOM 1162 N SER A 94 -2.958 5.978 -1.939 1.00 0.53 N ATOM 1163 CA SER A 94 -4.404 6.171 -1.927 1.00 0.56 C ATOM 1164 C SER A 94 -5.066 5.568 -3.152 1.00 0.56 C ATOM 1165 O SER A 94 -4.997 6.120 -4.250 1.00 0.67 O ATOM 1166 CB SER A 94 -4.751 7.656 -1.838 1.00 0.63 C ATOM 1167 OG SER A 94 -3.598 8.439 -1.593 1.00 0.68 O ATOM 0 H SER A 94 -2.438 6.684 -2.460 1.00 0.53 H new ATOM 0 HA SER A 94 -4.786 5.656 -1.045 1.00 0.56 H new ATOM 0 HB2 SER A 94 -5.221 7.978 -2.767 1.00 0.63 H new ATOM 0 HB3 SER A 94 -5.477 7.815 -1.041 1.00 0.63 H new ATOM 0 HG SER A 94 -3.850 9.385 -1.543 1.00 0.68 H new ATOM 1173 N ARG A 95 -5.712 4.431 -2.952 1.00 0.57 N ATOM 1174 CA ARG A 95 -6.412 3.755 -4.028 1.00 0.58 C ATOM 1175 C ARG A 95 -7.917 3.840 -3.796 1.00 0.61 C ATOM 1176 O ARG A 95 -8.420 3.422 -2.753 1.00 0.62 O ATOM 1177 CB ARG A 95 -5.958 2.297 -4.124 1.00 0.56 C ATOM 1178 CG ARG A 95 -6.017 1.736 -5.533 1.00 0.56 C ATOM 1179 CD ARG A 95 -4.998 0.627 -5.738 1.00 0.68 C ATOM 1180 NE ARG A 95 -4.886 0.255 -7.144 1.00 0.81 N ATOM 1181 CZ ARG A 95 -4.442 -0.923 -7.567 1.00 0.75 C ATOM 1182 NH1 ARG A 95 -4.056 -1.843 -6.693 1.00 1.02 N ATOM 1183 NH2 ARG A 95 -4.385 -1.180 -8.865 1.00 1.12 N ATOM 0 H ARG A 95 -5.765 3.957 -2.051 1.00 0.57 H new ATOM 0 HA ARG A 95 -6.176 4.245 -4.973 1.00 0.58 H new ATOM 0 HB2 ARG A 95 -4.936 2.218 -3.752 1.00 0.56 H new ATOM 0 HB3 ARG A 95 -6.583 1.687 -3.472 1.00 0.56 H new ATOM 0 HG2 ARG A 95 -7.018 1.352 -5.731 1.00 0.56 H new ATOM 0 HG3 ARG A 95 -5.835 2.535 -6.251 1.00 0.56 H new ATOM 0 HD2 ARG A 95 -4.026 0.953 -5.368 1.00 0.68 H new ATOM 0 HD3 ARG A 95 -5.286 -0.246 -5.152 1.00 0.68 H new ATOM 0 HE ARG A 95 -5.166 0.941 -7.845 1.00 0.81 H new ATOM 0 HH11 ARG A 95 -4.100 -1.647 -5.693 1.00 1.02 H new ATOM 0 HH12 ARG A 95 -3.715 -2.747 -7.021 1.00 1.02 H new ATOM 0 HH21 ARG A 95 -4.682 -0.474 -9.538 1.00 1.12 H new ATOM 0 HH22 ARG A 95 -4.044 -2.084 -9.191 1.00 1.12 H new ATOM 1197 N ASN A 96 -8.631 4.391 -4.771 1.00 0.62 N ATOM 1198 CA ASN A 96 -10.076 4.548 -4.663 1.00 0.66 C ATOM 1199 C ASN A 96 -10.786 3.227 -4.928 1.00 0.67 C ATOM 1200 O ASN A 96 -10.201 2.301 -5.488 1.00 0.85 O ATOM 1201 CB ASN A 96 -10.566 5.611 -5.647 1.00 0.74 C ATOM 1202 CG ASN A 96 -11.583 6.551 -5.029 1.00 0.74 C ATOM 1203 OD1 ASN A 96 -11.438 6.974 -3.882 1.00 0.69 O ATOM 1204 ND2 ASN A 96 -12.619 6.883 -5.791 1.00 0.99 N ATOM 0 H ASN A 96 -8.233 4.736 -5.644 1.00 0.62 H new ATOM 0 HA ASN A 96 -10.309 4.867 -3.647 1.00 0.66 H new ATOM 0 HB2 ASN A 96 -9.714 6.188 -6.007 1.00 0.74 H new ATOM 0 HB3 ASN A 96 -11.009 5.122 -6.515 1.00 0.74 H new ATOM 0 HD21 ASN A 96 -13.336 7.513 -5.431 1.00 0.99 H new ATOM 0 HD22 ASN A 96 -12.698 6.508 -6.736 1.00 0.99 H new ATOM 1211 N CYS A 97 -12.047 3.141 -4.518 1.00 0.65 N ATOM 1212 CA CYS A 97 -12.824 1.925 -4.714 1.00 0.65 C ATOM 1213 C CYS A 97 -14.269 2.240 -5.079 1.00 0.76 C ATOM 1214 O CYS A 97 -15.129 2.374 -4.208 1.00 0.91 O ATOM 1215 CB CYS A 97 -12.780 1.061 -3.456 1.00 0.71 C ATOM 1216 SG CYS A 97 -12.272 -0.656 -3.766 1.00 1.12 S ATOM 0 H CYS A 97 -12.550 3.895 -4.050 1.00 0.65 H new ATOM 0 HA CYS A 97 -12.378 1.376 -5.543 1.00 0.65 H new ATOM 0 HB2 CYS A 97 -12.091 1.511 -2.741 1.00 0.71 H new ATOM 0 HB3 CYS A 97 -13.766 1.061 -2.992 1.00 0.71 H new ATOM 1221 N THR A 98 -14.528 2.352 -6.375 1.00 0.79 N ATOM 1222 CA THR A 98 -15.867 2.643 -6.865 1.00 0.95 C ATOM 1223 C THR A 98 -16.699 1.369 -6.968 1.00 0.90 C ATOM 1224 O THR A 98 -16.343 0.335 -6.403 1.00 1.00 O ATOM 1225 CB THR A 98 -15.821 3.330 -8.241 1.00 1.21 C ATOM 1226 OG1 THR A 98 -15.383 2.400 -9.239 1.00 1.40 O ATOM 1227 CG2 THR A 98 -14.885 4.528 -8.213 1.00 1.28 C ATOM 0 H THR A 98 -13.826 2.245 -7.107 1.00 0.79 H new ATOM 0 HA THR A 98 -16.331 3.319 -6.147 1.00 0.95 H new ATOM 0 HB THR A 98 -16.825 3.677 -8.485 1.00 1.21 H new ATOM 0 HG1 THR A 98 -15.358 2.845 -10.112 1.00 1.40 H new ATOM 0 HG21 THR A 98 -14.867 4.999 -9.196 1.00 1.28 H new ATOM 0 HG22 THR A 98 -15.236 5.247 -7.472 1.00 1.28 H new ATOM 0 HG23 THR A 98 -13.880 4.198 -7.951 1.00 1.28 H new ATOM 1235 N GLU A 99 -17.810 1.453 -7.691 1.00 1.01 N ATOM 1236 CA GLU A 99 -18.697 0.308 -7.870 1.00 0.96 C ATOM 1237 C GLU A 99 -18.117 -0.682 -8.877 1.00 0.92 C ATOM 1238 O GLU A 99 -18.497 -1.852 -8.901 1.00 0.85 O ATOM 1239 CB GLU A 99 -20.075 0.781 -8.337 1.00 1.17 C ATOM 1240 CG GLU A 99 -21.190 -0.218 -8.069 1.00 1.18 C ATOM 1241 CD GLU A 99 -21.418 -0.458 -6.590 1.00 1.19 C ATOM 1242 OE1 GLU A 99 -21.925 0.459 -5.911 1.00 1.38 O ATOM 1243 OE2 GLU A 99 -21.090 -1.564 -6.110 1.00 1.26 O ATOM 0 H GLU A 99 -18.119 2.303 -8.163 1.00 1.01 H new ATOM 0 HA GLU A 99 -18.796 -0.199 -6.910 1.00 0.96 H new ATOM 0 HB2 GLU A 99 -20.314 1.721 -7.839 1.00 1.17 H new ATOM 0 HB3 GLU A 99 -20.035 0.988 -9.406 1.00 1.17 H new ATOM 0 HG2 GLU A 99 -22.113 0.145 -8.521 1.00 1.18 H new ATOM 0 HG3 GLU A 99 -20.949 -1.164 -8.553 1.00 1.18 H new ATOM 1250 N ASP A 100 -17.195 -0.203 -9.706 1.00 1.06 N ATOM 1251 CA ASP A 100 -16.564 -1.045 -10.715 1.00 1.11 C ATOM 1252 C ASP A 100 -15.482 -1.922 -10.091 1.00 0.97 C ATOM 1253 O ASP A 100 -15.144 -2.980 -10.621 1.00 1.02 O ATOM 1254 CB ASP A 100 -15.973 -0.177 -11.831 1.00 1.32 C ATOM 1255 CG ASP A 100 -14.472 -0.343 -11.973 1.00 1.59 C ATOM 1256 OD1 ASP A 100 -13.726 0.369 -11.269 1.00 1.99 O ATOM 1257 OD2 ASP A 100 -14.043 -1.181 -12.794 1.00 1.99 O ATOM 0 H ASP A 100 -16.869 0.763 -9.699 1.00 1.06 H new ATOM 0 HA ASP A 100 -17.324 -1.699 -11.143 1.00 1.11 H new ATOM 0 HB2 ASP A 100 -16.453 -0.432 -12.776 1.00 1.32 H new ATOM 0 HB3 ASP A 100 -16.201 0.870 -11.630 1.00 1.32 H new ATOM 1262 N GLY A 101 -14.948 -1.475 -8.960 1.00 0.89 N ATOM 1263 CA GLY A 101 -13.914 -2.230 -8.276 1.00 0.77 C ATOM 1264 C GLY A 101 -12.813 -1.341 -7.737 1.00 0.75 C ATOM 1265 O GLY A 101 -13.083 -0.285 -7.164 1.00 0.99 O ATOM 0 H GLY A 101 -15.213 -0.602 -8.504 1.00 0.89 H new ATOM 0 HA2 GLY A 101 -14.360 -2.790 -7.454 1.00 0.77 H new ATOM 0 HA3 GLY A 101 -13.485 -2.959 -8.963 1.00 0.77 H new ATOM 1269 N TRP A 102 -11.570 -1.766 -7.918 1.00 0.62 N ATOM 1270 CA TRP A 102 -10.428 -0.997 -7.445 1.00 0.59 C ATOM 1271 C TRP A 102 -9.910 -0.063 -8.535 1.00 0.64 C ATOM 1272 O TRP A 102 -9.902 -0.410 -9.717 1.00 0.70 O ATOM 1273 CB TRP A 102 -9.313 -1.934 -6.981 1.00 0.55 C ATOM 1274 CG TRP A 102 -9.514 -2.467 -5.591 1.00 0.52 C ATOM 1275 CD1 TRP A 102 -10.011 -3.690 -5.245 1.00 0.52 C ATOM 1276 CD2 TRP A 102 -9.219 -1.794 -4.361 1.00 0.52 C ATOM 1277 NE1 TRP A 102 -10.031 -3.823 -3.877 1.00 0.51 N ATOM 1278 CE2 TRP A 102 -9.550 -2.672 -3.311 1.00 0.51 C ATOM 1279 CE3 TRP A 102 -8.704 -0.537 -4.047 1.00 0.55 C ATOM 1280 CZ2 TRP A 102 -9.379 -2.328 -1.969 1.00 0.52 C ATOM 1281 CZ3 TRP A 102 -8.535 -0.197 -2.719 1.00 0.56 C ATOM 1282 CH2 TRP A 102 -8.870 -1.090 -1.693 1.00 0.54 C ATOM 0 H TRP A 102 -11.327 -2.638 -8.388 1.00 0.62 H new ATOM 0 HA TRP A 102 -10.754 -0.390 -6.601 1.00 0.59 H new ATOM 0 HB2 TRP A 102 -9.241 -2.771 -7.675 1.00 0.55 H new ATOM 0 HB3 TRP A 102 -8.362 -1.403 -7.023 1.00 0.55 H new ATOM 0 HD1 TRP A 102 -10.341 -4.444 -5.944 1.00 0.52 H new ATOM 0 HE1 TRP A 102 -10.352 -4.645 -3.366 1.00 0.51 H new ATOM 0 HE3 TRP A 102 -8.441 0.160 -4.829 1.00 0.55 H new ATOM 0 HZ2 TRP A 102 -9.639 -3.015 -1.178 1.00 0.52 H new ATOM 0 HZ3 TRP A 102 -8.137 0.775 -2.467 1.00 0.56 H new ATOM 0 HH2 TRP A 102 -8.723 -0.795 -0.665 1.00 0.54 H new ATOM 1293 N SER A 103 -9.482 1.126 -8.126 1.00 0.66 N ATOM 1294 CA SER A 103 -8.956 2.120 -9.053 1.00 0.72 C ATOM 1295 C SER A 103 -7.445 1.969 -9.202 1.00 0.70 C ATOM 1296 O SER A 103 -6.885 0.919 -8.890 1.00 0.72 O ATOM 1297 CB SER A 103 -9.298 3.531 -8.571 1.00 0.76 C ATOM 1298 OG SER A 103 -10.693 3.772 -8.644 1.00 0.81 O ATOM 0 H SER A 103 -9.490 1.426 -7.151 1.00 0.66 H new ATOM 0 HA SER A 103 -9.419 1.959 -10.027 1.00 0.72 H new ATOM 0 HB2 SER A 103 -8.957 3.660 -7.544 1.00 0.76 H new ATOM 0 HB3 SER A 103 -8.767 4.264 -9.178 1.00 0.76 H new ATOM 0 HG SER A 103 -10.859 4.738 -8.643 1.00 0.81 H new ATOM 1304 N GLU A 104 -6.793 3.017 -9.694 1.00 0.72 N ATOM 1305 CA GLU A 104 -5.345 2.996 -9.881 1.00 0.71 C ATOM 1306 C GLU A 104 -4.631 3.666 -8.706 1.00 0.67 C ATOM 1307 O GLU A 104 -5.166 4.585 -8.085 1.00 0.68 O ATOM 1308 CB GLU A 104 -4.972 3.694 -11.190 1.00 0.78 C ATOM 1309 CG GLU A 104 -5.335 2.894 -12.432 1.00 0.84 C ATOM 1310 CD GLU A 104 -4.809 1.473 -12.386 1.00 0.95 C ATOM 1311 OE1 GLU A 104 -3.601 1.279 -12.637 1.00 1.25 O ATOM 1312 OE2 GLU A 104 -5.605 0.554 -12.099 1.00 1.64 O ATOM 0 H GLU A 104 -7.242 3.890 -9.970 1.00 0.72 H new ATOM 0 HA GLU A 104 -5.023 1.956 -9.927 1.00 0.71 H new ATOM 0 HB2 GLU A 104 -5.473 4.661 -11.232 1.00 0.78 H new ATOM 0 HB3 GLU A 104 -3.900 3.890 -11.195 1.00 0.78 H new ATOM 0 HG2 GLU A 104 -6.419 2.872 -12.541 1.00 0.84 H new ATOM 0 HG3 GLU A 104 -4.936 3.397 -13.313 1.00 0.84 H new ATOM 1319 N PRO A 105 -3.409 3.206 -8.390 1.00 0.65 N ATOM 1320 CA PRO A 105 -2.610 3.756 -7.286 1.00 0.63 C ATOM 1321 C PRO A 105 -2.276 5.234 -7.485 1.00 0.66 C ATOM 1322 O PRO A 105 -1.866 5.653 -8.567 1.00 0.73 O ATOM 1323 CB PRO A 105 -1.332 2.909 -7.304 1.00 0.63 C ATOM 1324 CG PRO A 105 -1.281 2.308 -8.666 1.00 0.72 C ATOM 1325 CD PRO A 105 -2.711 2.115 -9.084 1.00 0.68 C ATOM 0 HA PRO A 105 -3.149 3.713 -6.339 1.00 0.63 H new ATOM 0 HB2 PRO A 105 -0.451 3.521 -7.110 1.00 0.63 H new ATOM 0 HB3 PRO A 105 -1.360 2.138 -6.534 1.00 0.63 H new ATOM 0 HG2 PRO A 105 -0.755 2.962 -9.362 1.00 0.72 H new ATOM 0 HG3 PRO A 105 -0.746 1.359 -8.654 1.00 0.72 H new ATOM 0 HD2 PRO A 105 -2.828 2.185 -10.165 1.00 0.68 H new ATOM 0 HD3 PRO A 105 -3.091 1.138 -8.784 1.00 0.68 H new ATOM 1333 N PHE A 106 -2.450 6.010 -6.423 1.00 0.64 N ATOM 1334 CA PHE A 106 -2.183 7.444 -6.445 1.00 0.68 C ATOM 1335 C PHE A 106 -2.097 7.949 -5.009 1.00 0.65 C ATOM 1336 O PHE A 106 -3.130 8.112 -4.357 1.00 0.67 O ATOM 1337 CB PHE A 106 -3.298 8.183 -7.200 1.00 0.76 C ATOM 1338 CG PHE A 106 -2.808 9.318 -8.055 1.00 0.73 C ATOM 1339 CD1 PHE A 106 -1.869 9.098 -9.051 1.00 0.79 C ATOM 1340 CD2 PHE A 106 -3.292 10.602 -7.866 1.00 0.77 C ATOM 1341 CE1 PHE A 106 -1.421 10.140 -9.842 1.00 0.84 C ATOM 1342 CE2 PHE A 106 -2.848 11.647 -8.654 1.00 0.82 C ATOM 1343 CZ PHE A 106 -1.911 11.416 -9.642 1.00 0.82 C ATOM 0 H PHE A 106 -2.780 5.664 -5.522 1.00 0.64 H new ATOM 0 HA PHE A 106 -1.241 7.633 -6.959 1.00 0.68 H new ATOM 0 HB2 PHE A 106 -3.830 7.470 -7.830 1.00 0.76 H new ATOM 0 HB3 PHE A 106 -4.017 8.570 -6.478 1.00 0.76 H new ATOM 0 HD1 PHE A 106 -1.483 8.102 -9.211 1.00 0.79 H new ATOM 0 HD2 PHE A 106 -4.024 10.789 -7.094 1.00 0.77 H new ATOM 0 HE1 PHE A 106 -0.689 9.957 -10.615 1.00 0.84 H new ATOM 0 HE2 PHE A 106 -3.234 12.644 -8.497 1.00 0.82 H new ATOM 0 HZ PHE A 106 -1.562 12.232 -10.257 1.00 0.82 H new ATOM 1353 N PRO A 107 -0.890 8.227 -4.481 1.00 0.63 N ATOM 1354 CA PRO A 107 0.400 8.112 -5.197 1.00 0.65 C ATOM 1355 C PRO A 107 0.673 6.748 -5.831 1.00 0.64 C ATOM 1356 O PRO A 107 0.268 5.707 -5.316 1.00 0.64 O ATOM 1357 CB PRO A 107 1.437 8.385 -4.095 1.00 0.70 C ATOM 1358 CG PRO A 107 0.704 9.179 -3.071 1.00 0.67 C ATOM 1359 CD PRO A 107 -0.707 8.675 -3.094 1.00 0.62 C ATOM 0 HA PRO A 107 0.420 8.798 -6.044 1.00 0.65 H new ATOM 0 HB2 PRO A 107 1.821 7.456 -3.674 1.00 0.70 H new ATOM 0 HB3 PRO A 107 2.293 8.936 -4.485 1.00 0.70 H new ATOM 0 HG2 PRO A 107 1.149 9.050 -2.084 1.00 0.67 H new ATOM 0 HG3 PRO A 107 0.742 10.244 -3.301 1.00 0.67 H new ATOM 0 HD2 PRO A 107 -0.853 7.859 -2.386 1.00 0.62 H new ATOM 0 HD3 PRO A 107 -1.417 9.458 -2.828 1.00 0.62 H new ATOM 1367 N HIS A 108 1.422 6.772 -6.936 1.00 0.66 N ATOM 1368 CA HIS A 108 1.780 5.554 -7.653 1.00 0.67 C ATOM 1369 C HIS A 108 2.639 4.651 -6.780 1.00 0.65 C ATOM 1370 O HIS A 108 3.118 5.068 -5.725 1.00 0.70 O ATOM 1371 CB HIS A 108 2.519 5.890 -8.949 1.00 0.73 C ATOM 1372 CG HIS A 108 2.087 5.051 -10.111 1.00 1.03 C ATOM 1373 ND1 HIS A 108 0.930 5.269 -10.827 1.00 0.89 N ATOM 1374 CD2 HIS A 108 2.681 3.972 -10.679 1.00 1.97 C ATOM 1375 CE1 HIS A 108 0.858 4.336 -11.786 1.00 1.40 C ATOM 1376 NE2 HIS A 108 1.897 3.524 -11.739 1.00 2.17 N ATOM 0 H HIS A 108 1.792 7.627 -7.352 1.00 0.66 H new ATOM 0 HA HIS A 108 0.860 5.025 -7.903 1.00 0.67 H new ATOM 0 HB2 HIS A 108 2.358 6.941 -9.189 1.00 0.73 H new ATOM 0 HB3 HIS A 108 3.590 5.759 -8.793 1.00 0.73 H new ATOM 0 HD2 HIS A 108 3.614 3.531 -10.360 1.00 1.97 H new ATOM 0 HE1 HIS A 108 0.055 4.259 -12.504 1.00 1.40 H new ATOM 0 HE2 HIS A 108 2.087 2.732 -12.353 1.00 2.17 H new ATOM 1384 N TYR A 109 2.834 3.415 -7.221 1.00 0.63 N ATOM 1385 CA TYR A 109 3.622 2.458 -6.461 1.00 0.61 C ATOM 1386 C TYR A 109 5.115 2.543 -6.786 1.00 0.66 C ATOM 1387 O TYR A 109 5.780 3.511 -6.414 1.00 0.78 O ATOM 1388 CB TYR A 109 3.089 1.043 -6.681 1.00 0.60 C ATOM 1389 CG TYR A 109 2.312 0.546 -5.492 1.00 0.52 C ATOM 1390 CD1 TYR A 109 2.908 0.518 -4.246 1.00 0.49 C ATOM 1391 CD2 TYR A 109 0.990 0.128 -5.601 1.00 0.57 C ATOM 1392 CE1 TYR A 109 2.222 0.088 -3.135 1.00 0.49 C ATOM 1393 CE2 TYR A 109 0.291 -0.309 -4.490 1.00 0.55 C ATOM 1394 CZ TYR A 109 0.913 -0.325 -3.260 1.00 0.50 C ATOM 1395 OH TYR A 109 0.227 -0.752 -2.147 1.00 0.55 O ATOM 0 H TYR A 109 2.458 3.054 -8.098 1.00 0.63 H new ATOM 0 HA TYR A 109 3.520 2.713 -5.406 1.00 0.61 H new ATOM 0 HB2 TYR A 109 2.450 1.029 -7.564 1.00 0.60 H new ATOM 0 HB3 TYR A 109 3.922 0.368 -6.879 1.00 0.60 H new ATOM 0 HD1 TYR A 109 3.934 0.840 -4.143 1.00 0.49 H new ATOM 0 HD2 TYR A 109 0.503 0.145 -6.565 1.00 0.57 H new ATOM 0 HE1 TYR A 109 2.706 0.074 -2.170 1.00 0.49 H new ATOM 0 HE2 TYR A 109 -0.734 -0.635 -4.586 1.00 0.55 H new ATOM 0 HH TYR A 109 0.686 -1.525 -1.756 1.00 0.55 H new ATOM 1405 N PHE A 110 5.640 1.538 -7.479 1.00 0.80 N ATOM 1406 CA PHE A 110 7.061 1.509 -7.810 1.00 0.88 C ATOM 1407 C PHE A 110 7.899 1.535 -6.529 1.00 0.78 C ATOM 1408 O PHE A 110 8.780 2.380 -6.364 1.00 0.83 O ATOM 1409 CB PHE A 110 7.426 2.693 -8.712 1.00 1.03 C ATOM 1410 CG PHE A 110 8.142 2.290 -9.972 1.00 1.34 C ATOM 1411 CD1 PHE A 110 9.250 1.459 -9.921 1.00 2.01 C ATOM 1412 CD2 PHE A 110 7.707 2.743 -11.208 1.00 1.88 C ATOM 1413 CE1 PHE A 110 9.911 1.087 -11.077 1.00 2.34 C ATOM 1414 CE2 PHE A 110 8.363 2.375 -12.368 1.00 2.40 C ATOM 1415 CZ PHE A 110 9.467 1.546 -12.303 1.00 2.34 C ATOM 0 H PHE A 110 5.108 0.738 -7.821 1.00 0.80 H new ATOM 0 HA PHE A 110 7.275 0.587 -8.351 1.00 0.88 H new ATOM 0 HB2 PHE A 110 6.516 3.231 -8.977 1.00 1.03 H new ATOM 0 HB3 PHE A 110 8.055 3.386 -8.152 1.00 1.03 H new ATOM 0 HD1 PHE A 110 9.602 1.097 -8.966 1.00 2.01 H new ATOM 0 HD2 PHE A 110 6.845 3.391 -11.265 1.00 1.88 H new ATOM 0 HE1 PHE A 110 10.773 0.439 -11.022 1.00 2.34 H new ATOM 0 HE2 PHE A 110 8.013 2.735 -13.324 1.00 2.40 H new ATOM 0 HZ PHE A 110 9.981 1.258 -13.208 1.00 2.34 H new ATOM 1425 N ASP A 111 7.611 0.598 -5.625 1.00 0.80 N ATOM 1426 CA ASP A 111 8.319 0.503 -4.349 1.00 0.83 C ATOM 1427 C ASP A 111 8.068 1.750 -3.499 1.00 0.72 C ATOM 1428 O ASP A 111 8.894 2.660 -3.451 1.00 0.93 O ATOM 1429 CB ASP A 111 9.820 0.302 -4.574 1.00 0.98 C ATOM 1430 CG ASP A 111 10.309 -1.025 -4.022 1.00 1.31 C ATOM 1431 OD1 ASP A 111 9.462 -1.837 -3.595 1.00 1.98 O ATOM 1432 OD2 ASP A 111 11.537 -1.250 -4.017 1.00 1.65 O ATOM 0 H ASP A 111 6.888 -0.110 -5.755 1.00 0.80 H new ATOM 0 HA ASP A 111 7.934 -0.364 -3.812 1.00 0.83 H new ATOM 0 HB2 ASP A 111 10.036 0.351 -5.641 1.00 0.98 H new ATOM 0 HB3 ASP A 111 10.369 1.116 -4.100 1.00 0.98 H new ATOM 1437 N ALA A 112 6.920 1.771 -2.826 1.00 0.53 N ATOM 1438 CA ALA A 112 6.528 2.900 -1.986 1.00 0.49 C ATOM 1439 C ALA A 112 7.420 3.051 -0.748 1.00 0.49 C ATOM 1440 O ALA A 112 8.332 3.878 -0.733 1.00 0.63 O ATOM 1441 CB ALA A 112 5.069 2.752 -1.577 1.00 0.56 C ATOM 0 H ALA A 112 6.239 1.012 -2.847 1.00 0.53 H new ATOM 0 HA ALA A 112 6.655 3.808 -2.576 1.00 0.49 H new ATOM 0 HB1 ALA A 112 4.779 3.596 -0.950 1.00 0.56 H new ATOM 0 HB2 ALA A 112 4.442 2.730 -2.468 1.00 0.56 H new ATOM 0 HB3 ALA A 112 4.940 1.825 -1.019 1.00 0.56 H new ATOM 1447 N CYS A 113 7.156 2.254 0.289 1.00 0.50 N ATOM 1448 CA CYS A 113 7.928 2.329 1.526 1.00 0.52 C ATOM 1449 C CYS A 113 9.076 1.331 1.527 1.00 0.53 C ATOM 1450 O CYS A 113 8.942 0.204 1.047 1.00 0.70 O ATOM 1451 CB CYS A 113 7.027 2.079 2.740 1.00 0.57 C ATOM 1452 SG CYS A 113 7.592 2.893 4.271 1.00 0.68 S ATOM 0 H CYS A 113 6.416 1.552 0.295 1.00 0.50 H new ATOM 0 HA CYS A 113 8.346 3.334 1.589 1.00 0.52 H new ATOM 0 HB2 CYS A 113 6.020 2.425 2.508 1.00 0.57 H new ATOM 0 HB3 CYS A 113 6.962 1.005 2.915 1.00 0.57 H new ATOM 1457 N GLY A 114 10.202 1.761 2.074 1.00 0.64 N ATOM 1458 CA GLY A 114 11.375 0.910 2.147 1.00 0.72 C ATOM 1459 C GLY A 114 11.405 0.071 3.409 1.00 0.64 C ATOM 1460 O GLY A 114 11.736 0.565 4.486 1.00 0.89 O ATOM 0 H GLY A 114 10.327 2.692 2.472 1.00 0.64 H new ATOM 0 HA2 GLY A 114 11.398 0.253 1.277 1.00 0.72 H new ATOM 0 HA3 GLY A 114 12.272 1.528 2.104 1.00 0.72 H new ATOM 1464 N PHE A 115 11.059 -1.204 3.273 1.00 0.75 N ATOM 1465 CA PHE A 115 11.049 -2.119 4.407 1.00 0.87 C ATOM 1466 C PHE A 115 12.088 -3.218 4.220 1.00 0.91 C ATOM 1467 O PHE A 115 12.652 -3.727 5.188 1.00 1.07 O ATOM 1468 CB PHE A 115 9.665 -2.743 4.571 1.00 0.96 C ATOM 1469 CG PHE A 115 9.266 -3.605 3.413 1.00 0.99 C ATOM 1470 CD1 PHE A 115 8.598 -3.071 2.323 1.00 1.15 C ATOM 1471 CD2 PHE A 115 9.567 -4.953 3.419 1.00 1.00 C ATOM 1472 CE1 PHE A 115 8.236 -3.873 1.259 1.00 1.28 C ATOM 1473 CE2 PHE A 115 9.210 -5.760 2.360 1.00 1.12 C ATOM 1474 CZ PHE A 115 8.543 -5.221 1.277 1.00 1.24 C ATOM 0 H PHE A 115 10.782 -1.627 2.387 1.00 0.75 H new ATOM 0 HA PHE A 115 11.295 -1.551 5.304 1.00 0.87 H new ATOM 0 HB2 PHE A 115 9.648 -3.340 5.483 1.00 0.96 H new ATOM 0 HB3 PHE A 115 8.928 -1.950 4.696 1.00 0.96 H new ATOM 0 HD1 PHE A 115 8.358 -2.018 2.305 1.00 1.15 H new ATOM 0 HD2 PHE A 115 10.088 -5.380 4.263 1.00 1.00 H new ATOM 0 HE1 PHE A 115 7.714 -3.448 0.414 1.00 1.28 H new ATOM 0 HE2 PHE A 115 9.452 -6.813 2.377 1.00 1.12 H new ATOM 0 HZ PHE A 115 8.262 -5.851 0.446 1.00 1.24 H new ATOM 1484 N ASP A 116 12.330 -3.579 2.966 1.00 0.89 N ATOM 1485 CA ASP A 116 13.302 -4.612 2.641 1.00 1.03 C ATOM 1486 C ASP A 116 14.639 -3.980 2.274 1.00 0.99 C ATOM 1487 O ASP A 116 15.578 -4.666 1.871 1.00 1.10 O ATOM 1488 CB ASP A 116 12.796 -5.469 1.479 1.00 1.23 C ATOM 1489 CG ASP A 116 12.705 -4.688 0.182 1.00 1.31 C ATOM 1490 OD1 ASP A 116 11.748 -3.900 0.029 1.00 1.98 O ATOM 1491 OD2 ASP A 116 13.590 -4.866 -0.681 1.00 1.85 O ATOM 0 H ASP A 116 11.864 -3.170 2.156 1.00 0.89 H new ATOM 0 HA ASP A 116 13.439 -5.248 3.516 1.00 1.03 H new ATOM 0 HB2 ASP A 116 13.463 -6.320 1.341 1.00 1.23 H new ATOM 0 HB3 ASP A 116 11.814 -5.871 1.728 1.00 1.23 H new ATOM 1496 N GLU A 117 14.712 -2.662 2.423 1.00 0.99 N ATOM 1497 CA GLU A 117 15.923 -1.915 2.098 1.00 1.11 C ATOM 1498 C GLU A 117 17.001 -2.109 3.156 1.00 1.09 C ATOM 1499 O GLU A 117 16.734 -2.564 4.270 1.00 1.27 O ATOM 1500 CB GLU A 117 15.600 -0.420 1.970 1.00 1.35 C ATOM 1501 CG GLU A 117 15.874 0.176 0.594 1.00 1.63 C ATOM 1502 CD GLU A 117 17.058 1.125 0.595 1.00 1.77 C ATOM 1503 OE1 GLU A 117 17.589 1.409 1.689 1.00 2.44 O ATOM 1504 OE2 GLU A 117 17.453 1.585 -0.498 1.00 2.07 O ATOM 0 H GLU A 117 13.944 -2.086 2.768 1.00 0.99 H new ATOM 0 HA GLU A 117 16.301 -2.296 1.149 1.00 1.11 H new ATOM 0 HB2 GLU A 117 14.549 -0.267 2.214 1.00 1.35 H new ATOM 0 HB3 GLU A 117 16.182 0.128 2.711 1.00 1.35 H new ATOM 0 HG2 GLU A 117 16.059 -0.630 -0.117 1.00 1.63 H new ATOM 0 HG3 GLU A 117 14.987 0.708 0.249 1.00 1.63 H new ATOM 1511 N TYR A 118 18.222 -1.753 2.785 1.00 1.12 N ATOM 1512 CA TYR A 118 19.362 -1.852 3.679 1.00 1.31 C ATOM 1513 C TYR A 118 19.345 -0.696 4.660 1.00 1.44 C ATOM 1514 O TYR A 118 18.655 -0.730 5.679 1.00 2.09 O ATOM 1515 CB TYR A 118 20.662 -1.845 2.873 1.00 1.48 C ATOM 1516 CG TYR A 118 20.536 -1.167 1.527 1.00 1.49 C ATOM 1517 CD1 TYR A 118 19.938 -1.816 0.455 1.00 1.76 C ATOM 1518 CD2 TYR A 118 21.019 0.120 1.328 1.00 1.67 C ATOM 1519 CE1 TYR A 118 19.826 -1.203 -0.779 1.00 1.95 C ATOM 1520 CE2 TYR A 118 20.909 0.741 0.097 1.00 1.74 C ATOM 1521 CZ TYR A 118 20.312 0.076 -0.953 1.00 1.77 C ATOM 1522 OH TYR A 118 20.203 0.688 -2.181 1.00 2.01 O ATOM 0 H TYR A 118 18.448 -1.389 1.859 1.00 1.12 H new ATOM 0 HA TYR A 118 19.302 -2.788 4.234 1.00 1.31 H new ATOM 0 HB2 TYR A 118 21.436 -1.342 3.453 1.00 1.48 H new ATOM 0 HB3 TYR A 118 20.992 -2.873 2.723 1.00 1.48 H new ATOM 0 HD1 TYR A 118 19.554 -2.817 0.587 1.00 1.76 H new ATOM 0 HD2 TYR A 118 21.488 0.644 2.148 1.00 1.67 H new ATOM 0 HE1 TYR A 118 19.360 -1.723 -1.603 1.00 1.95 H new ATOM 0 HE2 TYR A 118 21.289 1.742 -0.041 1.00 1.74 H new ATOM 0 HH TYR A 118 19.406 0.354 -2.643 1.00 2.01 H new ATOM 1532 N GLU A 119 20.117 0.317 4.336 1.00 1.40 N ATOM 1533 CA GLU A 119 20.190 1.523 5.150 1.00 1.56 C ATOM 1534 C GLU A 119 19.232 2.576 4.597 1.00 1.75 C ATOM 1535 O GLU A 119 19.637 3.500 3.892 1.00 2.42 O ATOM 1536 CB GLU A 119 21.621 2.063 5.185 1.00 1.88 C ATOM 1537 CG GLU A 119 22.329 1.815 6.509 1.00 2.64 C ATOM 1538 CD GLU A 119 21.648 2.508 7.674 1.00 3.34 C ATOM 1539 OE1 GLU A 119 21.520 3.750 7.633 1.00 4.08 O ATOM 1540 OE2 GLU A 119 21.243 1.808 8.626 1.00 3.59 O ATOM 0 H GLU A 119 20.711 0.335 3.507 1.00 1.40 H new ATOM 0 HA GLU A 119 19.897 1.279 6.171 1.00 1.56 H new ATOM 0 HB2 GLU A 119 22.195 1.601 4.382 1.00 1.88 H new ATOM 0 HB3 GLU A 119 21.602 3.135 4.987 1.00 1.88 H new ATOM 0 HG2 GLU A 119 22.367 0.743 6.701 1.00 2.64 H new ATOM 0 HG3 GLU A 119 23.359 2.163 6.436 1.00 2.64 H new ATOM 1547 N SER A 120 17.955 2.415 4.927 1.00 1.68 N ATOM 1548 CA SER A 120 16.903 3.317 4.465 1.00 2.22 C ATOM 1549 C SER A 120 17.157 4.768 4.882 1.00 2.20 C ATOM 1550 O SER A 120 16.839 5.696 4.140 1.00 2.42 O ATOM 1551 CB SER A 120 15.556 2.846 5.016 1.00 2.85 C ATOM 1552 OG SER A 120 15.596 1.466 5.337 1.00 3.30 O ATOM 0 H SER A 120 17.619 1.657 5.521 1.00 1.68 H new ATOM 0 HA SER A 120 16.897 3.291 3.375 1.00 2.22 H new ATOM 0 HB2 SER A 120 15.300 3.423 5.905 1.00 2.85 H new ATOM 0 HB3 SER A 120 14.773 3.030 4.280 1.00 2.85 H new ATOM 0 HG SER A 120 14.725 1.187 5.689 1.00 3.30 H new ATOM 1558 N GLU A 121 17.728 4.957 6.068 1.00 2.35 N ATOM 1559 CA GLU A 121 17.997 6.300 6.585 1.00 2.50 C ATOM 1560 C GLU A 121 19.137 6.991 5.832 1.00 2.51 C ATOM 1561 O GLU A 121 20.233 6.445 5.698 1.00 2.75 O ATOM 1562 CB GLU A 121 18.314 6.233 8.081 1.00 3.04 C ATOM 1563 CG GLU A 121 18.331 7.592 8.764 1.00 3.38 C ATOM 1564 CD GLU A 121 17.014 8.331 8.630 1.00 3.78 C ATOM 1565 OE1 GLU A 121 16.011 7.870 9.216 1.00 4.49 O ATOM 1566 OE2 GLU A 121 16.986 9.372 7.940 1.00 3.70 O ATOM 0 H GLU A 121 18.014 4.201 6.690 1.00 2.35 H new ATOM 0 HA GLU A 121 17.098 6.897 6.430 1.00 2.50 H new ATOM 0 HB2 GLU A 121 17.576 5.599 8.572 1.00 3.04 H new ATOM 0 HB3 GLU A 121 19.285 5.756 8.217 1.00 3.04 H new ATOM 0 HG2 GLU A 121 18.563 7.460 9.821 1.00 3.38 H new ATOM 0 HG3 GLU A 121 19.129 8.199 8.336 1.00 3.38 H new ATOM 1573 N THR A 122 18.861 8.204 5.351 1.00 2.86 N ATOM 1574 CA THR A 122 19.844 8.996 4.613 1.00 3.38 C ATOM 1575 C THR A 122 20.391 8.234 3.411 1.00 3.68 C ATOM 1576 O THR A 122 21.535 7.740 3.494 1.00 4.16 O ATOM 1577 CB THR A 122 21.022 9.430 5.508 1.00 3.61 C ATOM 1578 OG1 THR A 122 20.570 9.638 6.851 1.00 3.27 O ATOM 1579 CG2 THR A 122 21.655 10.708 4.977 1.00 4.31 C ATOM 1580 OXT THR A 122 19.672 8.143 2.393 1.00 3.79 O ATOM 0 H THR A 122 17.956 8.662 5.461 1.00 2.86 H new ATOM 0 HA THR A 122 19.317 9.885 4.266 1.00 3.38 H new ATOM 0 HB THR A 122 21.770 8.637 5.499 1.00 3.61 H new ATOM 0 HG1 THR A 122 21.326 9.912 7.412 1.00 3.27 H new ATOM 0 HG21 THR A 122 22.484 10.998 5.622 1.00 4.31 H new ATOM 0 HG22 THR A 122 22.024 10.538 3.966 1.00 4.31 H new ATOM 0 HG23 THR A 122 20.911 11.504 4.963 1.00 4.31 H new TER 1588 THR A 122 ATOM 1589 N PHE B 6 -15.736 5.715 3.256 1.00 1.71 N ATOM 1590 CA PHE B 6 -16.302 7.062 2.986 1.00 1.29 C ATOM 1591 C PHE B 6 -15.483 8.145 3.678 1.00 1.06 C ATOM 1592 O PHE B 6 -16.027 9.154 4.128 1.00 1.25 O ATOM 1593 CB PHE B 6 -17.752 7.135 3.470 1.00 1.57 C ATOM 1594 CG PHE B 6 -18.668 6.153 2.797 1.00 2.37 C ATOM 1595 CD1 PHE B 6 -18.890 6.216 1.430 1.00 3.07 C ATOM 1596 CD2 PHE B 6 -19.311 5.171 3.533 1.00 3.13 C ATOM 1597 CE1 PHE B 6 -19.736 5.315 0.811 1.00 4.16 C ATOM 1598 CE2 PHE B 6 -20.158 4.269 2.919 1.00 4.25 C ATOM 1599 CZ PHE B 6 -20.371 4.341 1.556 1.00 4.67 C ATOM 0 HA PHE B 6 -16.269 7.230 1.909 1.00 1.29 H new ATOM 0 HB2 PHE B 6 -17.775 6.960 4.546 1.00 1.57 H new ATOM 0 HB3 PHE B 6 -18.130 8.143 3.303 1.00 1.57 H new ATOM 0 HD1 PHE B 6 -18.397 6.977 0.843 1.00 3.07 H new ATOM 0 HD2 PHE B 6 -19.148 5.110 4.599 1.00 3.13 H new ATOM 0 HE1 PHE B 6 -19.900 5.373 -0.255 1.00 4.16 H new ATOM 0 HE2 PHE B 6 -20.653 3.508 3.504 1.00 4.25 H new ATOM 0 HZ PHE B 6 -21.033 3.637 1.074 1.00 4.67 H new ATOM 1611 N THR B 7 -14.174 7.935 3.761 1.00 0.93 N ATOM 1612 CA THR B 7 -13.291 8.899 4.406 1.00 1.10 C ATOM 1613 C THR B 7 -12.719 9.890 3.398 1.00 1.25 C ATOM 1614 O THR B 7 -11.503 10.001 3.243 1.00 1.42 O ATOM 1615 CB THR B 7 -12.133 8.200 5.141 1.00 1.27 C ATOM 1616 OG1 THR B 7 -12.387 6.793 5.232 1.00 1.51 O ATOM 1617 CG2 THR B 7 -11.950 8.777 6.538 1.00 1.61 C ATOM 0 H THR B 7 -13.703 7.109 3.391 1.00 0.93 H new ATOM 0 HA THR B 7 -13.897 9.440 5.133 1.00 1.10 H new ATOM 0 HB THR B 7 -11.219 8.368 4.572 1.00 1.27 H new ATOM 0 HG1 THR B 7 -12.143 6.361 4.387 1.00 1.51 H new ATOM 0 HG21 THR B 7 -11.126 8.267 7.037 1.00 1.61 H new ATOM 0 HG22 THR B 7 -11.727 9.842 6.466 1.00 1.61 H new ATOM 0 HG23 THR B 7 -12.865 8.636 7.113 1.00 1.61 H new ATOM 1625 N ASP B 8 -13.604 10.609 2.716 1.00 1.59 N ATOM 1626 CA ASP B 8 -13.186 11.599 1.731 1.00 2.03 C ATOM 1627 C ASP B 8 -12.946 12.946 2.403 1.00 2.40 C ATOM 1628 O ASP B 8 -12.331 13.842 1.825 1.00 2.68 O ATOM 1629 CB ASP B 8 -14.246 11.740 0.636 1.00 2.56 C ATOM 1630 CG ASP B 8 -13.769 12.589 -0.526 1.00 3.13 C ATOM 1631 OD1 ASP B 8 -12.680 12.300 -1.066 1.00 3.21 O ATOM 1632 OD2 ASP B 8 -14.486 13.541 -0.898 1.00 3.77 O ATOM 0 H ASP B 8 -14.614 10.525 2.827 1.00 1.59 H new ATOM 0 HA ASP B 8 -12.254 11.263 1.276 1.00 2.03 H new ATOM 0 HB2 ASP B 8 -14.520 10.750 0.271 1.00 2.56 H new ATOM 0 HB3 ASP B 8 -15.146 12.184 1.061 1.00 2.56 H new ATOM 1637 N SER B 9 -13.439 13.076 3.631 1.00 2.53 N ATOM 1638 CA SER B 9 -13.280 14.307 4.397 1.00 3.07 C ATOM 1639 C SER B 9 -11.877 14.393 4.988 1.00 3.05 C ATOM 1640 O SER B 9 -11.346 15.482 5.202 1.00 3.50 O ATOM 1641 CB SER B 9 -14.323 14.372 5.515 1.00 3.35 C ATOM 1642 OG SER B 9 -15.048 13.158 5.609 1.00 3.28 O ATOM 0 H SER B 9 -13.953 12.342 4.118 1.00 2.53 H new ATOM 0 HA SER B 9 -13.427 15.152 3.724 1.00 3.07 H new ATOM 0 HB2 SER B 9 -13.830 14.579 6.465 1.00 3.35 H new ATOM 0 HB3 SER B 9 -15.011 15.196 5.327 1.00 3.35 H new ATOM 0 HG SER B 9 -15.706 13.225 6.332 1.00 3.28 H new ATOM 1648 N TYR B 10 -11.285 13.232 5.250 1.00 2.63 N ATOM 1649 CA TYR B 10 -9.942 13.164 5.812 1.00 2.74 C ATOM 1650 C TYR B 10 -8.901 13.078 4.704 1.00 2.44 C ATOM 1651 O TYR B 10 -7.816 13.651 4.808 1.00 2.70 O ATOM 1652 CB TYR B 10 -9.823 11.949 6.737 1.00 2.69 C ATOM 1653 CG TYR B 10 -8.493 11.226 6.647 1.00 2.72 C ATOM 1654 CD1 TYR B 10 -7.414 11.615 7.430 1.00 3.29 C ATOM 1655 CD2 TYR B 10 -8.324 10.145 5.787 1.00 2.28 C ATOM 1656 CE1 TYR B 10 -6.203 10.951 7.358 1.00 3.44 C ATOM 1657 CE2 TYR B 10 -7.117 9.475 5.712 1.00 2.49 C ATOM 1658 CZ TYR B 10 -6.060 9.881 6.500 1.00 3.07 C ATOM 1659 OH TYR B 10 -4.857 9.216 6.429 1.00 3.35 O ATOM 0 H TYR B 10 -11.716 12.323 5.081 1.00 2.63 H new ATOM 0 HA TYR B 10 -9.761 14.072 6.388 1.00 2.74 H new ATOM 0 HB2 TYR B 10 -9.978 12.273 7.766 1.00 2.69 H new ATOM 0 HB3 TYR B 10 -10.622 11.247 6.500 1.00 2.69 H new ATOM 0 HD1 TYR B 10 -7.522 12.450 8.106 1.00 3.29 H new ATOM 0 HD2 TYR B 10 -9.149 9.824 5.168 1.00 2.28 H new ATOM 0 HE1 TYR B 10 -5.373 11.269 7.971 1.00 3.44 H new ATOM 0 HE2 TYR B 10 -7.002 8.638 5.040 1.00 2.49 H new ATOM 0 HH TYR B 10 -4.924 8.487 5.778 1.00 3.35 H new ATOM 1669 N SER B 11 -9.245 12.368 3.637 1.00 1.94 N ATOM 1670 CA SER B 11 -8.340 12.194 2.507 1.00 1.67 C ATOM 1671 C SER B 11 -8.351 13.409 1.578 1.00 2.02 C ATOM 1672 O SER B 11 -7.563 13.484 0.636 1.00 1.97 O ATOM 1673 CB SER B 11 -8.714 10.936 1.725 1.00 1.18 C ATOM 1674 OG SER B 11 -9.726 11.207 0.771 1.00 1.61 O ATOM 0 H SER B 11 -10.146 11.902 3.530 1.00 1.94 H new ATOM 0 HA SER B 11 -7.331 12.090 2.905 1.00 1.67 H new ATOM 0 HB2 SER B 11 -7.831 10.542 1.221 1.00 1.18 H new ATOM 0 HB3 SER B 11 -9.058 10.165 2.414 1.00 1.18 H new ATOM 0 HG SER B 11 -9.945 10.385 0.284 1.00 1.61 H new ATOM 1680 N ARG B 12 -9.244 14.355 1.848 1.00 2.53 N ATOM 1681 CA ARG B 12 -9.355 15.561 1.031 1.00 3.06 C ATOM 1682 C ARG B 12 -8.038 16.330 0.987 1.00 3.10 C ATOM 1683 O ARG B 12 -7.483 16.570 -0.085 1.00 3.17 O ATOM 1684 CB ARG B 12 -10.465 16.463 1.576 1.00 3.67 C ATOM 1685 CG ARG B 12 -10.870 17.582 0.624 1.00 4.33 C ATOM 1686 CD ARG B 12 -10.207 18.910 0.969 1.00 5.10 C ATOM 1687 NE ARG B 12 -11.145 19.851 1.578 1.00 5.95 N ATOM 1688 CZ ARG B 12 -11.237 20.060 2.887 1.00 6.87 C ATOM 1689 NH1 ARG B 12 -10.476 19.371 3.725 1.00 7.07 N ATOM 1690 NH2 ARG B 12 -12.094 20.956 3.359 1.00 7.80 N ATOM 0 H ARG B 12 -9.902 14.311 2.626 1.00 2.53 H new ATOM 0 HA ARG B 12 -9.600 15.254 0.014 1.00 3.06 H new ATOM 0 HB2 ARG B 12 -11.340 15.853 1.798 1.00 3.67 H new ATOM 0 HB3 ARG B 12 -10.135 16.901 2.518 1.00 3.67 H new ATOM 0 HG2 ARG B 12 -10.605 17.301 -0.395 1.00 4.33 H new ATOM 0 HG3 ARG B 12 -11.953 17.703 0.650 1.00 4.33 H new ATOM 0 HD2 ARG B 12 -9.376 18.733 1.652 1.00 5.10 H new ATOM 0 HD3 ARG B 12 -9.787 19.351 0.065 1.00 5.10 H new ATOM 0 HE ARG B 12 -11.765 20.378 0.963 1.00 5.95 H new ATOM 0 HH11 ARG B 12 -9.818 18.679 3.365 1.00 7.07 H new ATOM 0 HH12 ARG B 12 -10.548 19.533 4.730 1.00 7.07 H new ATOM 0 HH21 ARG B 12 -12.683 21.486 2.717 1.00 7.80 H new ATOM 0 HH22 ARG B 12 -12.163 21.115 4.364 1.00 7.80 H new ATOM 1704 N TYR B 13 -7.543 16.714 2.158 1.00 3.16 N ATOM 1705 CA TYR B 13 -6.299 17.469 2.254 1.00 3.25 C ATOM 1706 C TYR B 13 -5.072 16.565 2.106 1.00 2.75 C ATOM 1707 O TYR B 13 -3.977 17.041 1.810 1.00 2.74 O ATOM 1708 CB TYR B 13 -6.241 18.244 3.574 1.00 3.82 C ATOM 1709 CG TYR B 13 -6.679 17.451 4.785 1.00 4.05 C ATOM 1710 CD1 TYR B 13 -8.025 17.323 5.108 1.00 4.35 C ATOM 1711 CD2 TYR B 13 -5.744 16.844 5.613 1.00 4.08 C ATOM 1712 CE1 TYR B 13 -8.425 16.610 6.224 1.00 4.66 C ATOM 1713 CE2 TYR B 13 -6.136 16.128 6.728 1.00 4.45 C ATOM 1714 CZ TYR B 13 -7.476 16.015 7.030 1.00 4.72 C ATOM 1715 OH TYR B 13 -7.869 15.306 8.142 1.00 5.14 O ATOM 0 H TYR B 13 -7.985 16.515 3.055 1.00 3.16 H new ATOM 0 HA TYR B 13 -6.283 18.180 1.428 1.00 3.25 H new ATOM 0 HB2 TYR B 13 -5.220 18.591 3.732 1.00 3.82 H new ATOM 0 HB3 TYR B 13 -6.870 19.130 3.489 1.00 3.82 H new ATOM 0 HD1 TYR B 13 -8.770 17.787 4.478 1.00 4.35 H new ATOM 0 HD2 TYR B 13 -4.693 16.933 5.382 1.00 4.08 H new ATOM 0 HE1 TYR B 13 -9.474 16.520 6.463 1.00 4.66 H new ATOM 0 HE2 TYR B 13 -5.396 15.659 7.360 1.00 4.45 H new ATOM 0 HH TYR B 13 -7.079 14.950 8.599 1.00 5.14 H new ATOM 1725 N ARG B 14 -5.256 15.264 2.316 1.00 2.36 N ATOM 1726 CA ARG B 14 -4.152 14.310 2.209 1.00 1.97 C ATOM 1727 C ARG B 14 -3.604 14.233 0.783 1.00 1.59 C ATOM 1728 O ARG B 14 -2.479 13.786 0.572 1.00 1.45 O ATOM 1729 CB ARG B 14 -4.599 12.918 2.670 1.00 1.82 C ATOM 1730 CG ARG B 14 -4.971 12.825 4.150 1.00 2.20 C ATOM 1731 CD ARG B 14 -3.934 13.467 5.065 1.00 2.61 C ATOM 1732 NE ARG B 14 -2.655 12.765 5.022 1.00 2.68 N ATOM 1733 CZ ARG B 14 -1.623 13.068 5.804 1.00 3.03 C ATOM 1734 NH1 ARG B 14 -1.711 14.085 6.648 1.00 3.51 N ATOM 1735 NH2 ARG B 14 -0.504 12.357 5.741 1.00 3.32 N ATOM 0 H ARG B 14 -6.154 14.846 2.560 1.00 2.36 H new ATOM 0 HA ARG B 14 -3.352 14.666 2.858 1.00 1.97 H new ATOM 0 HB2 ARG B 14 -5.458 12.611 2.073 1.00 1.82 H new ATOM 0 HB3 ARG B 14 -3.798 12.208 2.465 1.00 1.82 H new ATOM 0 HG2 ARG B 14 -5.936 13.308 4.308 1.00 2.20 H new ATOM 0 HG3 ARG B 14 -5.090 11.777 4.424 1.00 2.20 H new ATOM 0 HD2 ARG B 14 -3.787 14.507 4.772 1.00 2.61 H new ATOM 0 HD3 ARG B 14 -4.309 13.474 6.088 1.00 2.61 H new ATOM 0 HE ARG B 14 -2.547 12.000 4.356 1.00 2.68 H new ATOM 0 HH11 ARG B 14 -2.569 14.634 6.697 1.00 3.51 H new ATOM 0 HH12 ARG B 14 -0.921 14.319 7.249 1.00 3.51 H new ATOM 0 HH21 ARG B 14 -0.433 11.574 5.091 1.00 3.32 H new ATOM 0 HH22 ARG B 14 0.285 12.593 6.343 1.00 3.32 H new ATOM 1749 N LYS B 15 -4.393 14.662 -0.192 1.00 1.65 N ATOM 1750 CA LYS B 15 -3.944 14.635 -1.578 1.00 1.64 C ATOM 1751 C LYS B 15 -2.961 15.768 -1.843 1.00 1.84 C ATOM 1752 O LYS B 15 -2.474 15.930 -2.960 1.00 2.04 O ATOM 1753 CB LYS B 15 -5.128 14.755 -2.534 1.00 2.02 C ATOM 1754 CG LYS B 15 -6.250 13.770 -2.259 1.00 1.89 C ATOM 1755 CD LYS B 15 -7.551 14.236 -2.892 1.00 2.24 C ATOM 1756 CE LYS B 15 -8.740 13.439 -2.384 1.00 2.49 C ATOM 1757 NZ LYS B 15 -10.031 14.111 -2.698 1.00 2.80 N ATOM 0 H LYS B 15 -5.335 15.028 -0.053 1.00 1.65 H new ATOM 0 HA LYS B 15 -3.446 13.680 -1.749 1.00 1.64 H new ATOM 0 HB2 LYS B 15 -5.526 15.768 -2.476 1.00 2.02 H new ATOM 0 HB3 LYS B 15 -4.773 14.609 -3.554 1.00 2.02 H new ATOM 0 HG2 LYS B 15 -5.982 12.789 -2.651 1.00 1.89 H new ATOM 0 HG3 LYS B 15 -6.385 13.658 -1.183 1.00 1.89 H new ATOM 0 HD2 LYS B 15 -7.703 15.294 -2.676 1.00 2.24 H new ATOM 0 HD3 LYS B 15 -7.484 14.139 -3.976 1.00 2.24 H new ATOM 0 HE2 LYS B 15 -8.729 12.445 -2.832 1.00 2.49 H new ATOM 0 HE3 LYS B 15 -8.653 13.304 -1.306 1.00 2.49 H new ATOM 0 HZ1 LYS B 15 -10.819 13.537 -2.335 1.00 2.80 H new ATOM 0 HZ2 LYS B 15 -10.052 15.049 -2.250 1.00 2.80 H new ATOM 0 HZ3 LYS B 15 -10.126 14.217 -3.728 1.00 2.80 H new ATOM 1771 N GLN B 16 -2.671 16.549 -0.808 1.00 1.99 N ATOM 1772 CA GLN B 16 -1.757 17.676 -0.940 1.00 2.28 C ATOM 1773 C GLN B 16 -0.328 17.286 -0.568 1.00 2.09 C ATOM 1774 O GLN B 16 0.632 17.826 -1.118 1.00 2.23 O ATOM 1775 CB GLN B 16 -2.230 18.838 -0.064 1.00 2.75 C ATOM 1776 CG GLN B 16 -3.507 19.497 -0.565 1.00 3.34 C ATOM 1777 CD GLN B 16 -3.477 19.785 -2.055 1.00 3.88 C ATOM 1778 OE1 GLN B 16 -4.220 19.183 -2.830 1.00 3.82 O ATOM 1779 NE2 GLN B 16 -2.616 20.711 -2.463 1.00 4.74 N ATOM 0 H GLN B 16 -3.055 16.422 0.129 1.00 1.99 H new ATOM 0 HA GLN B 16 -1.756 17.987 -1.985 1.00 2.28 H new ATOM 0 HB2 GLN B 16 -2.392 18.475 0.951 1.00 2.75 H new ATOM 0 HB3 GLN B 16 -1.440 19.588 -0.012 1.00 2.75 H new ATOM 0 HG2 GLN B 16 -4.355 18.850 -0.342 1.00 3.34 H new ATOM 0 HG3 GLN B 16 -3.666 20.429 -0.023 1.00 3.34 H new ATOM 0 HE21 GLN B 16 -2.019 21.186 -1.786 1.00 4.74 H new ATOM 0 HE22 GLN B 16 -2.552 20.947 -3.453 1.00 4.74 H new ATOM 1788 N MET B 17 -0.191 16.359 0.375 1.00 2.11 N ATOM 1789 CA MET B 17 1.127 15.911 0.819 1.00 2.25 C ATOM 1790 C MET B 17 1.404 14.460 0.425 1.00 1.93 C ATOM 1791 O MET B 17 2.421 13.892 0.823 1.00 2.46 O ATOM 1792 CB MET B 17 1.251 16.068 2.336 1.00 2.72 C ATOM 1793 CG MET B 17 0.420 17.209 2.898 1.00 3.18 C ATOM 1794 SD MET B 17 -0.532 16.727 4.349 1.00 3.78 S ATOM 1795 CE MET B 17 -1.908 17.865 4.229 1.00 3.57 C ATOM 0 H MET B 17 -0.973 15.904 0.846 1.00 2.11 H new ATOM 0 HA MET B 17 1.868 16.536 0.321 1.00 2.25 H new ATOM 0 HB2 MET B 17 0.947 15.137 2.815 1.00 2.72 H new ATOM 0 HB3 MET B 17 2.298 16.231 2.592 1.00 2.72 H new ATOM 0 HG2 MET B 17 1.078 18.038 3.159 1.00 3.18 H new ATOM 0 HG3 MET B 17 -0.259 17.572 2.127 1.00 3.18 H new ATOM 0 HE1 MET B 17 -1.986 18.440 5.152 1.00 3.57 H new ATOM 0 HE2 MET B 17 -1.747 18.544 3.391 1.00 3.57 H new ATOM 0 HE3 MET B 17 -2.830 17.306 4.070 1.00 3.57 H new ATOM 1805 N ALA B 18 0.506 13.859 -0.350 1.00 1.45 N ATOM 1806 CA ALA B 18 0.680 12.466 -0.759 1.00 1.26 C ATOM 1807 C ALA B 18 1.377 12.338 -2.109 1.00 0.96 C ATOM 1808 O ALA B 18 2.569 12.038 -2.176 1.00 0.93 O ATOM 1809 CB ALA B 18 -0.663 11.756 -0.801 1.00 1.16 C ATOM 0 H ALA B 18 -0.339 14.306 -0.704 1.00 1.45 H new ATOM 0 HA ALA B 18 1.321 11.994 -0.015 1.00 1.26 H new ATOM 0 HB1 ALA B 18 -0.517 10.720 -1.107 1.00 1.16 H new ATOM 0 HB2 ALA B 18 -1.119 11.781 0.189 1.00 1.16 H new ATOM 0 HB3 ALA B 18 -1.317 12.257 -1.515 1.00 1.16 H new ATOM 1815 N VAL B 19 0.633 12.579 -3.183 1.00 0.84 N ATOM 1816 CA VAL B 19 1.182 12.463 -4.534 1.00 0.69 C ATOM 1817 C VAL B 19 2.059 13.653 -4.881 1.00 0.76 C ATOM 1818 O VAL B 19 2.824 13.614 -5.844 1.00 1.06 O ATOM 1819 CB VAL B 19 0.060 12.361 -5.592 1.00 0.74 C ATOM 1820 CG1 VAL B 19 0.412 11.362 -6.692 1.00 1.24 C ATOM 1821 CG2 VAL B 19 -1.262 12.000 -4.933 1.00 1.14 C ATOM 0 H VAL B 19 -0.348 12.855 -3.148 1.00 0.84 H new ATOM 0 HA VAL B 19 1.781 11.552 -4.546 1.00 0.69 H new ATOM 0 HB VAL B 19 -0.043 13.339 -6.063 1.00 0.74 H new ATOM 0 HG11 VAL B 19 -0.401 11.318 -7.417 1.00 1.24 H new ATOM 0 HG12 VAL B 19 1.327 11.679 -7.192 1.00 1.24 H new ATOM 0 HG13 VAL B 19 0.561 10.375 -6.253 1.00 1.24 H new ATOM 0 HG21 VAL B 19 -2.041 11.932 -5.693 1.00 1.14 H new ATOM 0 HG22 VAL B 19 -1.166 11.040 -4.426 1.00 1.14 H new ATOM 0 HG23 VAL B 19 -1.529 12.768 -4.207 1.00 1.14 H new ATOM 1831 N LYS B 20 1.941 14.706 -4.099 1.00 0.88 N ATOM 1832 CA LYS B 20 2.706 15.911 -4.338 1.00 1.02 C ATOM 1833 C LYS B 20 4.050 15.888 -3.618 1.00 0.93 C ATOM 1834 O LYS B 20 5.103 15.966 -4.250 1.00 1.03 O ATOM 1835 CB LYS B 20 1.886 17.115 -3.893 1.00 1.33 C ATOM 1836 CG LYS B 20 0.384 16.879 -4.001 1.00 1.46 C ATOM 1837 CD LYS B 20 -0.142 17.327 -5.363 1.00 1.50 C ATOM 1838 CE LYS B 20 -1.259 16.427 -5.880 1.00 1.55 C ATOM 1839 NZ LYS B 20 -2.441 17.216 -6.335 1.00 1.97 N ATOM 0 H LYS B 20 1.321 14.751 -3.290 1.00 0.88 H new ATOM 0 HA LYS B 20 2.919 15.977 -5.405 1.00 1.02 H new ATOM 0 HB2 LYS B 20 2.138 17.359 -2.861 1.00 1.33 H new ATOM 0 HB3 LYS B 20 2.158 17.979 -4.500 1.00 1.33 H new ATOM 0 HG2 LYS B 20 0.167 15.821 -3.853 1.00 1.46 H new ATOM 0 HG3 LYS B 20 -0.132 17.424 -3.210 1.00 1.46 H new ATOM 0 HD2 LYS B 20 -0.509 18.351 -5.289 1.00 1.50 H new ATOM 0 HD3 LYS B 20 0.678 17.334 -6.082 1.00 1.50 H new ATOM 0 HE2 LYS B 20 -0.885 15.823 -6.707 1.00 1.55 H new ATOM 0 HE3 LYS B 20 -1.564 15.737 -5.093 1.00 1.55 H new ATOM 0 HZ1 LYS B 20 -3.179 16.569 -6.679 1.00 1.97 H new ATOM 0 HZ2 LYS B 20 -2.813 17.774 -5.540 1.00 1.97 H new ATOM 0 HZ3 LYS B 20 -2.156 17.856 -7.103 1.00 1.97 H new ATOM 1853 N LYS B 21 4.008 15.778 -2.298 1.00 0.84 N ATOM 1854 CA LYS B 21 5.226 15.795 -1.491 1.00 0.83 C ATOM 1855 C LYS B 21 5.818 14.407 -1.215 1.00 0.77 C ATOM 1856 O LYS B 21 6.965 14.136 -1.569 1.00 0.97 O ATOM 1857 CB LYS B 21 4.945 16.509 -0.168 1.00 0.96 C ATOM 1858 CG LYS B 21 6.093 16.438 0.824 1.00 1.37 C ATOM 1859 CD LYS B 21 6.720 17.805 1.060 1.00 1.73 C ATOM 1860 CE LYS B 21 7.314 18.385 -0.215 1.00 2.50 C ATOM 1861 NZ LYS B 21 6.608 19.624 -0.645 1.00 3.20 N ATOM 0 H LYS B 21 3.147 15.676 -1.761 1.00 0.84 H new ATOM 0 HA LYS B 21 5.975 16.329 -2.076 1.00 0.83 H new ATOM 0 HB2 LYS B 21 4.718 17.555 -0.372 1.00 0.96 H new ATOM 0 HB3 LYS B 21 4.056 16.073 0.288 1.00 0.96 H new ATOM 0 HG2 LYS B 21 5.732 16.035 1.770 1.00 1.37 H new ATOM 0 HG3 LYS B 21 6.852 15.749 0.453 1.00 1.37 H new ATOM 0 HD2 LYS B 21 5.966 18.487 1.452 1.00 1.73 H new ATOM 0 HD3 LYS B 21 7.499 17.721 1.818 1.00 1.73 H new ATOM 0 HE2 LYS B 21 8.369 18.606 -0.056 1.00 2.50 H new ATOM 0 HE3 LYS B 21 7.260 17.642 -1.011 1.00 2.50 H new ATOM 0 HZ1 LYS B 21 6.739 19.761 -1.668 1.00 3.20 H new ATOM 0 HZ2 LYS B 21 5.593 19.536 -0.435 1.00 3.20 H new ATOM 0 HZ3 LYS B 21 6.998 20.441 -0.133 1.00 3.20 H new ATOM 1875 N TYR B 22 5.039 13.540 -0.580 1.00 0.79 N ATOM 1876 CA TYR B 22 5.511 12.206 -0.198 1.00 0.78 C ATOM 1877 C TYR B 22 6.029 11.380 -1.374 1.00 0.63 C ATOM 1878 O TYR B 22 6.929 10.557 -1.202 1.00 0.64 O ATOM 1879 CB TYR B 22 4.394 11.451 0.521 1.00 0.97 C ATOM 1880 CG TYR B 22 4.364 9.962 0.243 1.00 0.87 C ATOM 1881 CD1 TYR B 22 5.247 9.095 0.875 1.00 1.59 C ATOM 1882 CD2 TYR B 22 3.436 9.421 -0.639 1.00 0.79 C ATOM 1883 CE1 TYR B 22 5.210 7.734 0.632 1.00 1.93 C ATOM 1884 CE2 TYR B 22 3.389 8.063 -0.884 1.00 1.29 C ATOM 1885 CZ TYR B 22 4.278 7.223 -0.247 1.00 1.73 C ATOM 1886 OH TYR B 22 4.229 5.869 -0.486 1.00 2.32 O ATOM 0 H TYR B 22 4.073 13.734 -0.316 1.00 0.79 H new ATOM 0 HA TYR B 22 6.361 12.354 0.468 1.00 0.78 H new ATOM 0 HB2 TYR B 22 4.501 11.606 1.595 1.00 0.97 H new ATOM 0 HB3 TYR B 22 3.436 11.882 0.231 1.00 0.97 H new ATOM 0 HD1 TYR B 22 5.975 9.491 1.568 1.00 1.59 H new ATOM 0 HD2 TYR B 22 2.739 10.075 -1.142 1.00 0.79 H new ATOM 0 HE1 TYR B 22 5.907 7.075 1.128 1.00 1.93 H new ATOM 0 HE2 TYR B 22 2.659 7.661 -1.571 1.00 1.29 H new ATOM 0 HH TYR B 22 3.515 5.676 -1.129 1.00 2.32 H new ATOM 1896 N LEU B 23 5.475 11.586 -2.561 1.00 0.65 N ATOM 1897 CA LEU B 23 5.899 10.818 -3.735 1.00 0.70 C ATOM 1898 C LEU B 23 7.418 10.842 -3.903 1.00 0.71 C ATOM 1899 O LEU B 23 8.056 9.795 -3.991 1.00 1.04 O ATOM 1900 CB LEU B 23 5.226 11.351 -5.006 1.00 0.89 C ATOM 1901 CG LEU B 23 4.342 10.346 -5.771 1.00 0.72 C ATOM 1902 CD1 LEU B 23 4.322 10.674 -7.256 1.00 1.43 C ATOM 1903 CD2 LEU B 23 4.801 8.907 -5.560 1.00 1.46 C ATOM 0 H LEU B 23 4.739 12.269 -2.741 1.00 0.65 H new ATOM 0 HA LEU B 23 5.590 9.785 -3.575 1.00 0.70 H new ATOM 0 HB2 LEU B 23 4.614 12.212 -4.736 1.00 0.89 H new ATOM 0 HB3 LEU B 23 6.002 11.711 -5.682 1.00 0.89 H new ATOM 0 HG LEU B 23 3.332 10.435 -5.370 1.00 0.72 H new ATOM 0 HD11 LEU B 23 3.693 9.954 -7.779 1.00 1.43 H new ATOM 0 HD12 LEU B 23 3.923 11.678 -7.402 1.00 1.43 H new ATOM 0 HD13 LEU B 23 5.336 10.626 -7.653 1.00 1.43 H new ATOM 0 HD21 LEU B 23 4.151 8.232 -6.117 1.00 1.46 H new ATOM 0 HD22 LEU B 23 5.826 8.797 -5.913 1.00 1.46 H new ATOM 0 HD23 LEU B 23 4.755 8.662 -4.499 1.00 1.46 H new ATOM 1915 N ALA B 24 7.985 12.038 -3.977 1.00 0.57 N ATOM 1916 CA ALA B 24 9.424 12.193 -4.148 1.00 0.62 C ATOM 1917 C ALA B 24 10.179 12.141 -2.818 1.00 0.74 C ATOM 1918 O ALA B 24 11.378 11.865 -2.790 1.00 1.22 O ATOM 1919 CB ALA B 24 9.716 13.500 -4.865 1.00 0.72 C ATOM 0 H ALA B 24 7.470 12.917 -3.921 1.00 0.57 H new ATOM 0 HA ALA B 24 9.776 11.354 -4.748 1.00 0.62 H new ATOM 0 HB1 ALA B 24 10.793 13.613 -4.991 1.00 0.72 H new ATOM 0 HB2 ALA B 24 9.235 13.494 -5.843 1.00 0.72 H new ATOM 0 HB3 ALA B 24 9.331 14.332 -4.276 1.00 0.72 H new ATOM 1925 N ALA B 25 9.475 12.400 -1.720 1.00 0.73 N ATOM 1926 CA ALA B 25 10.100 12.429 -0.397 1.00 0.91 C ATOM 1927 C ALA B 25 10.522 11.051 0.117 1.00 1.03 C ATOM 1928 O ALA B 25 11.677 10.857 0.494 1.00 1.51 O ATOM 1929 CB ALA B 25 9.162 13.087 0.600 1.00 0.99 C ATOM 0 H ALA B 25 8.473 12.593 -1.718 1.00 0.73 H new ATOM 0 HA ALA B 25 11.016 13.010 -0.502 1.00 0.91 H new ATOM 0 HB1 ALA B 25 9.632 13.106 1.583 1.00 0.99 H new ATOM 0 HB2 ALA B 25 8.948 14.107 0.280 1.00 0.99 H new ATOM 0 HB3 ALA B 25 8.232 12.521 0.653 1.00 0.99 H new ATOM 1935 N VAL B 26 9.598 10.095 0.134 1.00 1.08 N ATOM 1936 CA VAL B 26 9.910 8.757 0.639 1.00 1.15 C ATOM 1937 C VAL B 26 10.468 7.852 -0.454 1.00 1.12 C ATOM 1938 O VAL B 26 11.316 7.000 -0.187 1.00 1.27 O ATOM 1939 CB VAL B 26 8.674 8.095 1.283 1.00 1.16 C ATOM 1940 CG1 VAL B 26 8.896 6.601 1.483 1.00 1.59 C ATOM 1941 CG2 VAL B 26 8.348 8.768 2.608 1.00 1.63 C ATOM 0 H VAL B 26 8.639 10.216 -0.191 1.00 1.08 H new ATOM 0 HA VAL B 26 10.678 8.885 1.402 1.00 1.15 H new ATOM 0 HB VAL B 26 7.828 8.221 0.608 1.00 1.16 H new ATOM 0 HG11 VAL B 26 8.010 6.159 1.938 1.00 1.59 H new ATOM 0 HG12 VAL B 26 9.082 6.129 0.519 1.00 1.59 H new ATOM 0 HG13 VAL B 26 9.755 6.445 2.135 1.00 1.59 H new ATOM 0 HG21 VAL B 26 7.474 8.292 3.053 1.00 1.63 H new ATOM 0 HG22 VAL B 26 9.197 8.671 3.284 1.00 1.63 H new ATOM 0 HG23 VAL B 26 8.139 9.824 2.438 1.00 1.63 H new ATOM 1951 N LEU B 27 9.998 8.037 -1.682 1.00 1.00 N ATOM 1952 CA LEU B 27 10.473 7.232 -2.803 1.00 1.07 C ATOM 1953 C LEU B 27 11.696 7.876 -3.449 1.00 1.24 C ATOM 1954 O LEU B 27 11.827 7.900 -4.673 1.00 1.58 O ATOM 1955 CB LEU B 27 9.361 7.045 -3.838 1.00 1.04 C ATOM 1956 CG LEU B 27 8.244 6.089 -3.416 1.00 0.93 C ATOM 1957 CD1 LEU B 27 7.120 6.853 -2.735 1.00 1.55 C ATOM 1958 CD2 LEU B 27 7.718 5.314 -4.616 1.00 1.04 C ATOM 0 H LEU B 27 9.293 8.732 -1.927 1.00 1.00 H new ATOM 0 HA LEU B 27 10.761 6.252 -2.422 1.00 1.07 H new ATOM 0 HB2 LEU B 27 8.923 8.018 -4.059 1.00 1.04 H new ATOM 0 HB3 LEU B 27 9.804 6.677 -4.764 1.00 1.04 H new ATOM 0 HG LEU B 27 8.654 5.374 -2.703 1.00 0.93 H new ATOM 0 HD11 LEU B 27 6.333 6.158 -2.441 1.00 1.55 H new ATOM 0 HD12 LEU B 27 7.507 7.358 -1.850 1.00 1.55 H new ATOM 0 HD13 LEU B 27 6.712 7.592 -3.425 1.00 1.55 H new ATOM 0 HD21 LEU B 27 6.924 4.640 -4.294 1.00 1.04 H new ATOM 0 HD22 LEU B 27 7.324 6.011 -5.355 1.00 1.04 H new ATOM 0 HD23 LEU B 27 8.528 4.735 -5.059 1.00 1.04 H new ATOM 1970 N GLY B 28 12.589 8.396 -2.611 1.00 1.13 N ATOM 1971 CA GLY B 28 13.797 9.034 -3.103 1.00 1.32 C ATOM 1972 C GLY B 28 14.837 9.209 -2.012 1.00 1.36 C ATOM 1973 O GLY B 28 16.032 9.314 -2.292 1.00 1.64 O ATOM 0 H GLY B 28 12.496 8.386 -1.595 1.00 1.13 H new ATOM 0 HA2 GLY B 28 14.218 8.437 -3.912 1.00 1.32 H new ATOM 0 HA3 GLY B 28 13.546 10.008 -3.523 1.00 1.32 H new ATOM 1977 N LYS B 29 14.377 9.241 -0.765 1.00 1.28 N ATOM 1978 CA LYS B 29 15.265 9.401 0.383 1.00 1.44 C ATOM 1979 C LYS B 29 15.873 8.063 0.785 1.00 1.40 C ATOM 1980 O LYS B 29 17.085 7.945 0.967 1.00 1.76 O ATOM 1981 CB LYS B 29 14.491 9.993 1.567 1.00 1.54 C ATOM 1982 CG LYS B 29 15.382 10.584 2.651 1.00 1.74 C ATOM 1983 CD LYS B 29 15.320 9.775 3.939 1.00 1.90 C ATOM 1984 CE LYS B 29 14.149 10.198 4.814 1.00 1.84 C ATOM 1985 NZ LYS B 29 14.468 11.406 5.626 1.00 1.80 N ATOM 0 H LYS B 29 13.390 9.158 -0.523 1.00 1.28 H new ATOM 0 HA LYS B 29 16.070 10.080 0.101 1.00 1.44 H new ATOM 0 HB2 LYS B 29 13.820 10.769 1.199 1.00 1.54 H new ATOM 0 HB3 LYS B 29 13.867 9.215 2.007 1.00 1.54 H new ATOM 0 HG2 LYS B 29 16.411 10.621 2.295 1.00 1.74 H new ATOM 0 HG3 LYS B 29 15.077 11.611 2.852 1.00 1.74 H new ATOM 0 HD2 LYS B 29 15.231 8.715 3.699 1.00 1.90 H new ATOM 0 HD3 LYS B 29 16.251 9.899 4.492 1.00 1.90 H new ATOM 0 HE2 LYS B 29 13.282 10.402 4.186 1.00 1.84 H new ATOM 0 HE3 LYS B 29 13.876 9.377 5.477 1.00 1.84 H new ATOM 0 HZ1 LYS B 29 13.644 11.661 6.208 1.00 1.80 H new ATOM 0 HZ2 LYS B 29 15.279 11.204 6.244 1.00 1.80 H new ATOM 0 HZ3 LYS B 29 14.703 12.197 4.993 1.00 1.80 H new ATOM 1999 N ARG B 30 15.018 7.059 0.917 1.00 1.09 N ATOM 2000 CA ARG B 30 15.450 5.722 1.305 1.00 1.09 C ATOM 2001 C ARG B 30 16.140 4.997 0.157 1.00 1.06 C ATOM 2002 O ARG B 30 17.261 4.507 0.298 1.00 1.41 O ATOM 2003 CB ARG B 30 14.245 4.900 1.764 1.00 1.11 C ATOM 2004 CG ARG B 30 13.086 5.744 2.273 1.00 1.40 C ATOM 2005 CD ARG B 30 12.595 5.255 3.626 1.00 1.49 C ATOM 2006 NE ARG B 30 13.570 5.502 4.685 1.00 1.81 N ATOM 2007 CZ ARG B 30 13.365 6.340 5.697 1.00 1.72 C ATOM 2008 NH1 ARG B 30 12.224 7.010 5.791 1.00 1.65 N ATOM 2009 NH2 ARG B 30 14.304 6.509 6.618 1.00 2.29 N ATOM 0 H ARG B 30 14.014 7.145 0.760 1.00 1.09 H new ATOM 0 HA ARG B 30 16.165 5.831 2.120 1.00 1.09 H new ATOM 0 HB2 ARG B 30 13.898 4.286 0.933 1.00 1.11 H new ATOM 0 HB3 ARG B 30 14.561 4.219 2.554 1.00 1.11 H new ATOM 0 HG2 ARG B 30 13.400 6.785 2.353 1.00 1.40 H new ATOM 0 HG3 ARG B 30 12.267 5.712 1.554 1.00 1.40 H new ATOM 0 HD2 ARG B 30 11.658 5.753 3.873 1.00 1.49 H new ATOM 0 HD3 ARG B 30 12.383 4.187 3.570 1.00 1.49 H new ATOM 0 HE ARG B 30 14.459 5.003 4.646 1.00 1.81 H new ATOM 0 HH11 ARG B 30 11.499 6.884 5.085 1.00 1.65 H new ATOM 0 HH12 ARG B 30 12.072 7.652 6.569 1.00 1.65 H new ATOM 0 HH21 ARG B 30 15.183 5.996 6.550 1.00 2.29 H new ATOM 0 HH22 ARG B 30 14.147 7.152 7.394 1.00 2.29 H new ATOM 2023 N TYR B 31 15.459 4.934 -0.977 1.00 0.94 N ATOM 2024 CA TYR B 31 15.975 4.244 -2.149 1.00 0.90 C ATOM 2025 C TYR B 31 17.094 5.016 -2.839 1.00 0.98 C ATOM 2026 O TYR B 31 17.102 6.247 -2.862 1.00 1.17 O ATOM 2027 CB TYR B 31 14.835 3.984 -3.125 1.00 0.96 C ATOM 2028 CG TYR B 31 13.794 3.047 -2.566 1.00 1.07 C ATOM 2029 CD1 TYR B 31 14.114 1.727 -2.289 1.00 1.23 C ATOM 2030 CD2 TYR B 31 12.499 3.478 -2.309 1.00 1.46 C ATOM 2031 CE1 TYR B 31 13.175 0.858 -1.774 1.00 1.52 C ATOM 2032 CE2 TYR B 31 11.551 2.614 -1.792 1.00 1.73 C ATOM 2033 CZ TYR B 31 11.895 1.304 -1.527 1.00 1.67 C ATOM 2034 OH TYR B 31 10.957 0.439 -1.015 1.00 2.06 O ATOM 0 H TYR B 31 14.540 5.356 -1.111 1.00 0.94 H new ATOM 0 HA TYR B 31 16.405 3.300 -1.814 1.00 0.90 H new ATOM 0 HB2 TYR B 31 14.363 4.931 -3.387 1.00 0.96 H new ATOM 0 HB3 TYR B 31 15.239 3.564 -4.046 1.00 0.96 H new ATOM 0 HD1 TYR B 31 15.116 1.373 -2.480 1.00 1.23 H new ATOM 0 HD2 TYR B 31 12.228 4.503 -2.516 1.00 1.46 H new ATOM 0 HE1 TYR B 31 13.442 -0.167 -1.565 1.00 1.52 H new ATOM 0 HE2 TYR B 31 10.548 2.962 -1.597 1.00 1.73 H new ATOM 0 HH TYR B 31 11.362 -0.444 -0.888 1.00 2.06 H new ATOM 2044 N LYS B 32 18.038 4.266 -3.399 1.00 1.02 N ATOM 2045 CA LYS B 32 19.170 4.842 -4.111 1.00 1.20 C ATOM 2046 C LYS B 32 19.743 3.833 -5.101 1.00 1.27 C ATOM 2047 O LYS B 32 20.105 4.187 -6.223 1.00 1.45 O ATOM 2048 CB LYS B 32 20.258 5.285 -3.130 1.00 1.45 C ATOM 2049 CG LYS B 32 20.333 4.438 -1.871 1.00 1.72 C ATOM 2050 CD LYS B 32 20.732 5.275 -0.666 1.00 1.99 C ATOM 2051 CE LYS B 32 20.810 4.437 0.600 1.00 1.68 C ATOM 2052 NZ LYS B 32 20.494 5.240 1.814 1.00 2.37 N ATOM 0 H LYS B 32 18.039 3.246 -3.372 1.00 1.02 H new ATOM 0 HA LYS B 32 18.818 5.716 -4.659 1.00 1.20 H new ATOM 0 HB2 LYS B 32 21.223 5.254 -3.635 1.00 1.45 H new ATOM 0 HB3 LYS B 32 20.079 6.323 -2.848 1.00 1.45 H new ATOM 0 HG2 LYS B 32 19.366 3.969 -1.687 1.00 1.72 H new ATOM 0 HG3 LYS B 32 21.055 3.634 -2.013 1.00 1.72 H new ATOM 0 HD2 LYS B 32 21.698 5.744 -0.852 1.00 1.99 H new ATOM 0 HD3 LYS B 32 20.010 6.079 -0.526 1.00 1.99 H new ATOM 0 HE2 LYS B 32 20.115 3.601 0.526 1.00 1.68 H new ATOM 0 HE3 LYS B 32 21.810 4.013 0.694 1.00 1.68 H new ATOM 0 HZ1 LYS B 32 20.192 4.606 2.581 1.00 2.37 H new ATOM 0 HZ2 LYS B 32 21.340 5.766 2.112 1.00 2.37 H new ATOM 0 HZ3 LYS B 32 19.728 5.910 1.598 1.00 2.37 H new ATOM 2066 N GLN B 33 19.815 2.573 -4.678 1.00 1.24 N ATOM 2067 CA GLN B 33 20.345 1.510 -5.528 1.00 1.34 C ATOM 2068 C GLN B 33 19.521 0.228 -5.397 1.00 1.21 C ATOM 2069 O GLN B 33 20.059 -0.875 -5.492 1.00 1.29 O ATOM 2070 CB GLN B 33 21.805 1.222 -5.166 1.00 1.64 C ATOM 2071 CG GLN B 33 22.812 2.070 -5.928 1.00 1.93 C ATOM 2072 CD GLN B 33 24.085 1.310 -6.250 1.00 2.63 C ATOM 2073 OE1 GLN B 33 24.576 0.528 -5.437 1.00 2.93 O ATOM 2074 NE2 GLN B 33 24.625 1.538 -7.441 1.00 3.49 N ATOM 0 H GLN B 33 19.514 2.264 -3.754 1.00 1.24 H new ATOM 0 HA GLN B 33 20.286 1.851 -6.562 1.00 1.34 H new ATOM 0 HB2 GLN B 33 21.942 1.386 -4.097 1.00 1.64 H new ATOM 0 HB3 GLN B 33 22.015 0.169 -5.356 1.00 1.64 H new ATOM 0 HG2 GLN B 33 22.359 2.422 -6.855 1.00 1.93 H new ATOM 0 HG3 GLN B 33 23.059 2.953 -5.338 1.00 1.93 H new ATOM 0 HE21 GLN B 33 24.183 2.195 -8.084 1.00 3.49 H new ATOM 0 HE22 GLN B 33 25.482 1.056 -7.713 1.00 3.49 H new ATOM 2083 N ARG B 34 18.217 0.377 -5.179 1.00 1.20 N ATOM 2084 CA ARG B 34 17.327 -0.774 -5.042 1.00 1.10 C ATOM 2085 C ARG B 34 16.470 -0.962 -6.301 1.00 1.12 C ATOM 2086 O ARG B 34 16.995 -1.216 -7.386 1.00 1.09 O ATOM 2087 CB ARG B 34 16.432 -0.595 -3.810 1.00 1.29 C ATOM 2088 CG ARG B 34 15.844 -1.894 -3.276 1.00 1.38 C ATOM 2089 CD ARG B 34 16.834 -2.641 -2.393 1.00 1.46 C ATOM 2090 NE ARG B 34 16.455 -4.040 -2.207 1.00 1.57 N ATOM 2091 CZ ARG B 34 17.245 -4.948 -1.644 1.00 2.17 C ATOM 2092 NH1 ARG B 34 18.445 -4.600 -1.195 1.00 2.67 N ATOM 2093 NH2 ARG B 34 16.836 -6.203 -1.525 1.00 2.67 N ATOM 0 H ARG B 34 17.753 1.281 -5.093 1.00 1.20 H new ATOM 0 HA ARG B 34 17.937 -1.668 -4.915 1.00 1.10 H new ATOM 0 HB2 ARG B 34 17.011 -0.119 -3.019 1.00 1.29 H new ATOM 0 HB3 ARG B 34 15.617 0.084 -4.061 1.00 1.29 H new ATOM 0 HG2 ARG B 34 14.940 -1.677 -2.706 1.00 1.38 H new ATOM 0 HG3 ARG B 34 15.549 -2.530 -4.111 1.00 1.38 H new ATOM 0 HD2 ARG B 34 17.827 -2.591 -2.839 1.00 1.46 H new ATOM 0 HD3 ARG B 34 16.896 -2.150 -1.422 1.00 1.46 H new ATOM 0 HE ARG B 34 15.533 -4.336 -2.527 1.00 1.57 H new ATOM 0 HH11 ARG B 34 18.762 -3.634 -1.282 1.00 2.67 H new ATOM 0 HH12 ARG B 34 19.050 -5.298 -0.763 1.00 2.67 H new ATOM 0 HH21 ARG B 34 15.913 -6.473 -1.866 1.00 2.67 H new ATOM 0 HH22 ARG B 34 17.444 -6.899 -1.093 1.00 2.67 H new ATOM 2107 N VAL B 35 15.152 -0.833 -6.141 1.00 1.41 N ATOM 2108 CA VAL B 35 14.204 -0.982 -7.250 1.00 1.56 C ATOM 2109 C VAL B 35 14.521 -2.206 -8.116 1.00 1.29 C ATOM 2110 O VAL B 35 14.430 -2.162 -9.343 1.00 1.54 O ATOM 2111 CB VAL B 35 14.130 0.304 -8.115 1.00 1.99 C ATOM 2112 CG1 VAL B 35 15.326 0.445 -9.049 1.00 1.97 C ATOM 2113 CG2 VAL B 35 12.826 0.348 -8.895 1.00 2.31 C ATOM 0 H VAL B 35 14.712 -0.623 -5.245 1.00 1.41 H new ATOM 0 HA VAL B 35 13.223 -1.142 -6.804 1.00 1.56 H new ATOM 0 HB VAL B 35 14.160 1.153 -7.432 1.00 1.99 H new ATOM 0 HG11 VAL B 35 15.226 1.361 -9.632 1.00 1.97 H new ATOM 0 HG12 VAL B 35 16.243 0.487 -8.462 1.00 1.97 H new ATOM 0 HG13 VAL B 35 15.365 -0.411 -9.722 1.00 1.97 H new ATOM 0 HG21 VAL B 35 12.792 1.257 -9.496 1.00 2.31 H new ATOM 0 HG22 VAL B 35 12.764 -0.522 -9.549 1.00 2.31 H new ATOM 0 HG23 VAL B 35 11.986 0.341 -8.200 1.00 2.31 H new ATOM 2123 N LYS B 36 14.858 -3.313 -7.450 1.00 1.07 N ATOM 2124 CA LYS B 36 15.186 -4.565 -8.129 1.00 1.16 C ATOM 2125 C LYS B 36 13.947 -5.443 -8.317 1.00 1.40 C ATOM 2126 O LYS B 36 13.997 -6.458 -9.012 1.00 1.71 O ATOM 2127 CB LYS B 36 16.242 -5.330 -7.328 1.00 1.18 C ATOM 2128 CG LYS B 36 17.623 -5.308 -7.961 1.00 1.43 C ATOM 2129 CD LYS B 36 18.503 -6.417 -7.408 1.00 1.52 C ATOM 2130 CE LYS B 36 18.015 -7.785 -7.854 1.00 1.84 C ATOM 2131 NZ LYS B 36 17.592 -8.627 -6.701 1.00 1.98 N ATOM 0 H LYS B 36 14.911 -3.365 -6.433 1.00 1.07 H new ATOM 0 HA LYS B 36 15.578 -4.318 -9.115 1.00 1.16 H new ATOM 0 HB2 LYS B 36 16.304 -4.905 -6.326 1.00 1.18 H new ATOM 0 HB3 LYS B 36 15.920 -6.365 -7.215 1.00 1.18 H new ATOM 0 HG2 LYS B 36 17.532 -5.418 -9.042 1.00 1.43 H new ATOM 0 HG3 LYS B 36 18.094 -4.342 -7.778 1.00 1.43 H new ATOM 0 HD2 LYS B 36 19.530 -6.269 -7.741 1.00 1.52 H new ATOM 0 HD3 LYS B 36 18.511 -6.369 -6.319 1.00 1.52 H new ATOM 0 HE2 LYS B 36 17.178 -7.665 -8.542 1.00 1.84 H new ATOM 0 HE3 LYS B 36 18.809 -8.293 -8.402 1.00 1.84 H new ATOM 0 HZ1 LYS B 36 17.081 -9.463 -7.050 1.00 1.98 H new ATOM 0 HZ2 LYS B 36 18.431 -8.932 -6.167 1.00 1.98 H new ATOM 0 HZ3 LYS B 36 16.968 -8.075 -6.079 1.00 1.98 H new ATOM 2145 N ASN B 37 12.836 -5.051 -7.695 1.00 1.41 N ATOM 2146 CA ASN B 37 11.595 -5.816 -7.802 1.00 1.70 C ATOM 2147 C ASN B 37 10.990 -5.688 -9.195 1.00 1.64 C ATOM 2148 O ASN B 37 10.171 -6.511 -9.603 1.00 1.92 O ATOM 2149 CB ASN B 37 10.582 -5.355 -6.749 1.00 1.91 C ATOM 2150 CG ASN B 37 10.189 -3.899 -6.911 1.00 1.83 C ATOM 2151 OD1 ASN B 37 11.127 -3.001 -6.638 1.00 1.67 O flip ATOM 2152 ND2 ASN B 37 9.055 -3.587 -7.274 1.00 2.41 N flip ATOM 0 H ASN B 37 12.770 -4.214 -7.116 1.00 1.41 H new ATOM 0 HA ASN B 37 11.836 -6.864 -7.625 1.00 1.70 H new ATOM 0 HB2 ASN B 37 9.689 -5.977 -6.813 1.00 1.91 H new ATOM 0 HB3 ASN B 37 11.004 -5.505 -5.755 1.00 1.91 H new ATOM 0 HD21 ASN B 37 8.366 -4.312 -7.473 1.00 2.41 H new ATOM 0 HD22 ASN B 37 8.805 -2.603 -7.376 1.00 2.41 H new ATOM 2159 N LYS B 38 11.397 -4.652 -9.919 1.00 1.44 N ATOM 2160 CA LYS B 38 10.895 -4.420 -11.267 1.00 1.56 C ATOM 2161 C LYS B 38 12.042 -4.373 -12.270 1.00 1.69 C ATOM 2162 O LYS B 38 11.907 -4.983 -13.351 1.00 1.96 O ATOM 2163 CB LYS B 38 10.097 -3.114 -11.317 1.00 1.55 C ATOM 2164 CG LYS B 38 10.312 -2.309 -12.589 1.00 1.76 C ATOM 2165 CD LYS B 38 9.256 -2.625 -13.637 1.00 1.99 C ATOM 2166 CE LYS B 38 9.660 -2.111 -15.009 1.00 2.85 C ATOM 2167 NZ LYS B 38 10.889 -2.782 -15.514 1.00 3.15 N ATOM 2168 OXT LYS B 38 13.068 -3.729 -11.965 1.00 1.93 O ATOM 0 H LYS B 38 12.073 -3.960 -9.595 1.00 1.44 H new ATOM 0 HA LYS B 38 10.238 -5.247 -11.535 1.00 1.56 H new ATOM 0 HB2 LYS B 38 9.036 -3.344 -11.219 1.00 1.55 H new ATOM 0 HB3 LYS B 38 10.370 -2.500 -10.459 1.00 1.55 H new ATOM 0 HG2 LYS B 38 10.286 -1.245 -12.355 1.00 1.76 H new ATOM 0 HG3 LYS B 38 11.302 -2.523 -12.993 1.00 1.76 H new ATOM 0 HD2 LYS B 38 9.099 -3.703 -13.683 1.00 1.99 H new ATOM 0 HD3 LYS B 38 8.306 -2.177 -13.345 1.00 1.99 H new ATOM 0 HE2 LYS B 38 8.843 -2.273 -15.712 1.00 2.85 H new ATOM 0 HE3 LYS B 38 9.829 -1.035 -14.958 1.00 2.85 H new ATOM 0 HZ1 LYS B 38 11.670 -2.096 -15.548 1.00 3.15 H new ATOM 0 HZ2 LYS B 38 11.143 -3.565 -14.878 1.00 3.15 H new ATOM 0 HZ3 LYS B 38 10.714 -3.154 -16.469 1.00 3.15 H new TER 2182 LYS B 38 CONECT 259 687 CONECT 556 1216 CONECT 687 259 CONECT 901 1452 CONECT 1216 556 CONECT 1452 901 END