USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) HEADER CIRCADIAN CLOCK PROTEIN 23-JUN-02 1M2E TITLE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF TITLE 2 SYNECHOCOCCUS ELONGATUS KAIA (KAIA135N); AVERAGE MINIMIZED TITLE 3 STRUCTURE. COMPND MOL_ID: 1; COMPND 2 MOLECULE: KAIA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-135); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; SOURCE 3 ORGANISM_TAXID: 32046; SOURCE 4 GENE: KAIA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET32A KEYWDS ALPHA-BETA-ALPHA SANDWICH, CIRCADIAN CLOCK PROTEIN EXPDTA SOLUTION NMR AUTHOR S.B.WILLIAMS,I.VAKONAKIS,S.S.GOLDEN,A.C.LIWANG REVDAT 3 24-FEB-09 1M2E 1 VERSN REVDAT 2 04-DEC-02 1M2E 1 JRNL REVDAT 1 13-NOV-02 1M2E 0 JRNL AUTH S.B.WILLIAMS,I.VAKONAKIS,S.S.GOLDEN,A.C.LIWANG JRNL TITL STRUCTURE AND FUNCTION FROM THE CIRCADIAN CLOCK JRNL TITL 2 PROTEIN KAIA OF SYNECHOCOCCUS ELONGATUS: A JRNL TITL 3 POTENTIAL CLOCK INPUT MECHANISM JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 15357 2002 JRNL REFN ISSN 0027-8424 JRNL PMID 12438647 JRNL DOI 10.1073/PNAS.232517099 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 2034 REMARK 3 RESTRAINTS: 1816 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 187 ARE REMARK 3 DIHEDRAL ANGLE RESTRAINTS AND 31 ARE DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS REMARK 4 REMARK 4 1M2E COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JUN-02. REMARK 100 THE RCSB ID CODE IS RCSB016511. 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 : 0.17 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3MM KAIA135N U-15N, 50MM REMARK 210 SODIUM CHLORIDE, 20MM REMARK 210 PHOSPHATE BUFFER; 3MM KAIA135N REMARK 210 U-15N,13C; 50MM SODIUM REMARK 210 CHLORIDE; 20MM PHOSPHATE REMARK 210 BUFFER; 3MM KAIA135N U-15N, REMARK 210 13C; 50MM SODIUM CHLORIDE; REMARK 210 20MM PHOSPHATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNHA, 4D_13C/15N-SEPARATED_ REMARK 210 NOESY, 4D_13C-SEPARATED_NOESY, REMARK 210 HNHB, HAHB, BRCTCO/BRCTCN REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1B, NMRPIPE 1.8 REV REMARK 210 2001.030.21.27, PIPP 4.2.6 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REGULARIZATION, REMARK 210 SIMULATED ANNEALING REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: SUBMISSION CORRESPONDS TO THE AVERAGE MINIMIZED REMARK 210 STRUCTURE BASED ON A 25-LOW-ENERGY-STRUCTURES FAMILY. THE 1H, REMARK 210 15N AND 13C CHEMICAL SHIFTS OF KAIA135N ARE DEPOSITED AT THE REMARK 210 BMRB DATABASE (HTTP://WWW.BMRB.WISC.EDU) UNDER THE ACCESSION REMARK 210 NUMBER 5031. 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 SER A 3 -93.17 45.41 REMARK 500 ALA A 26 142.58 -35.49 REMARK 500 SER A 36 -167.21 -121.84 REMARK 500 HIS A 47 17.94 -151.58 REMARK 500 CYS A 53 124.74 -171.51 REMARK 500 PRO A 61 -72.90 -75.67 REMARK 500 PRO A 78 88.88 -64.18 REMARK 500 PRO A 93 61.12 -68.64 REMARK 500 TYR A 99 -149.88 -147.40 REMARK 500 GLU A 112 -23.33 167.83 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5031 RELATED DB: BMRB REMARK 900 1H, 13C AND 15N RESONANCE ASSIGNMENTS REMARK 900 RELATED ID: 1M2F RELATED DB: PDB REMARK 900 FAMILY OF 25 STRUCTURES OF KAIA DBREF 1M2E A 1 135 UNP Q79PF6 KAIA_SYNP7 1 135 SEQRES 1 A 135 MET LEU SER GLN ILE ALA ILE CYS ILE TRP VAL GLU SER SEQRES 2 A 135 THR ALA ILE LEU GLN ASP CYS GLN ARG ALA LEU SER ALA SEQRES 3 A 135 ASP ARG TYR GLN LEU GLN VAL CYS GLU SER GLY GLU MET SEQRES 4 A 135 LEU LEU GLU TYR ALA GLN THR HIS ARG ASP GLN ILE ASP SEQRES 5 A 135 CYS LEU ILE LEU VAL ALA ALA ASN PRO SER PHE ARG ALA SEQRES 6 A 135 VAL VAL GLN GLN LEU CYS PHE GLU GLY VAL VAL VAL PRO SEQRES 7 A 135 ALA ILE VAL VAL GLY ASP ARG ASP SER GLU ASP PRO ASP SEQRES 8 A 135 GLU PRO ALA LYS GLU GLN LEU TYR HIS SER ALA GLU LEU SEQRES 9 A 135 HIS LEU GLY ILE HIS GLN LEU GLU GLN LEU PRO TYR GLN SEQRES 10 A 135 VAL ASP ALA ALA LEU ALA GLU PHE LEU ARG LEU ALA PRO SEQRES 11 A 135 VAL GLU THR MET ALA HELIX 1 1 SER A 13 LEU A 24 1 12 HELIX 2 2 GLY A 37 GLN A 45 1 9 HELIX 3 3 SER A 62 GLY A 74 1 13 HELIX 4 4 LYS A 95 TYR A 99 5 5 HELIX 5 5 GLY A 107 LEU A 111 5 5 HELIX 6 6 GLN A 113 LEU A 128 1 16 SHEET 1 A 5 TYR A 29 CYS A 34 0 SHEET 2 A 5 ILE A 5 TRP A 10 1 N ILE A 5 O GLN A 30 SHEET 3 A 5 CYS A 53 VAL A 57 1 O ILE A 55 N CYS A 8 SHEET 4 A 5 ALA A 79 VAL A 82 1 O ILE A 80 N LEU A 54 SHEET 5 A 5 LEU A 104 LEU A 106 1 O LEU A 104 N VAL A 81 CISPEP 1 ALA A 129 PRO A 130 0 -0.14 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 116 TYR OH : rot -102:sc= 1 USER MOD Set 1.2: A 117 GLN :FLIP amide:sc= -7.62! C(o=-8.9!,f=-6.6!) USER MOD Set 2.1: A 46 THR OG1 : rot 74:sc= 0.522! USER MOD Set 2.2: A 47 HIS : no HE2:sc= -1.36! C(o=-0.84!,f=-13!) USER MOD Set 3.1: A 8 CYS SG : rot 152:sc= -3.04! USER MOD Set 3.2: A 34 CYS SG : rot 106:sc= -1.59 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0201 (180deg=-0.151) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0257 (180deg=-0.158) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 18 GLN : amide:sc=-0.00496 K(o=-0.005,f=-0.89) USER MOD Single : A 20 CYS SG : rot 86:sc= -0.114 USER MOD Single : A 21 GLN : amide:sc= -7.67! C(o=-7.7!,f=-10!) USER MOD Single : A 25 SER OG : rot 127:sc= 0.853 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.827 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 32 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.29) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 154:sc= -0.189 (180deg=-1.11) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.17! USER MOD Single : A 45 GLN : amide:sc= -3.81! C(o=-3.8!,f=-4.4!) USER MOD Single : A 50 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.76) USER MOD Single : A 53 CYS SG : rot -26:sc= -1.41! USER MOD Single : A 60 ASN : amide:sc= 0.616 K(o=0.62,f=-0.53) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.04! C(o=-2!,f=-4.9!) USER MOD Single : A 69 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.2) USER MOD Single : A 71 CYS SG : rot 56:sc= -6.76! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.7) USER MOD Single : A 99 TYR OH : rot -10:sc= 0.0642 USER MOD Single : A 100 HIS : no HD1:sc= -12.5! C(o=-12!,f=-27!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3.5!) USER MOD Single : A 109 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.0395 K(o=-0.04,f=-2.9!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 134 MET CE :methyl -159:sc= -0.0948 (180deg=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.367 2.453 12.208 1.00 4.04 N ATOM 2 CA MET A 1 19.935 1.220 11.488 1.00 3.70 C ATOM 3 C MET A 1 18.803 1.558 10.515 1.00 3.01 C ATOM 4 O MET A 1 18.664 0.949 9.472 1.00 3.18 O ATOM 5 CB MET A 1 19.452 0.264 12.584 1.00 4.35 C ATOM 6 CG MET A 1 19.248 -1.136 11.997 1.00 4.94 C ATOM 7 SD MET A 1 20.860 -1.902 11.686 1.00 6.17 S ATOM 8 CE MET A 1 20.750 -1.943 9.879 1.00 6.65 C ATOM 0 H1 MET A 1 21.249 2.262 12.724 1.00 4.04 H new ATOM 0 H2 MET A 1 20.526 3.218 11.522 1.00 4.04 H new ATOM 0 H3 MET A 1 19.627 2.739 12.881 1.00 4.04 H new ATOM 0 HA MET A 1 20.737 0.776 10.899 1.00 3.70 H new ATOM 0 HB2 MET A 1 20.181 0.226 13.394 1.00 4.35 H new ATOM 0 HB3 MET A 1 18.518 0.629 13.012 1.00 4.35 H new ATOM 0 HG2 MET A 1 18.669 -1.750 12.687 1.00 4.94 H new ATOM 0 HG3 MET A 1 18.678 -1.074 11.070 1.00 4.94 H new ATOM 0 HE1 MET A 1 21.750 -2.042 9.456 1.00 6.65 H new ATOM 0 HE2 MET A 1 20.140 -2.792 9.571 1.00 6.65 H new ATOM 0 HE3 MET A 1 20.294 -1.020 9.521 1.00 6.65 H new ATOM 20 N LEU A 2 17.997 2.532 10.840 1.00 2.46 N ATOM 21 CA LEU A 2 16.882 2.909 9.925 1.00 2.01 C ATOM 22 C LEU A 2 17.423 3.186 8.519 1.00 1.71 C ATOM 23 O LEU A 2 16.825 2.816 7.528 1.00 2.01 O ATOM 24 CB LEU A 2 16.291 4.186 10.525 1.00 1.91 C ATOM 25 CG LEU A 2 15.125 4.660 9.658 1.00 2.11 C ATOM 26 CD1 LEU A 2 13.989 3.641 9.739 1.00 2.55 C ATOM 27 CD2 LEU A 2 14.626 6.015 10.164 1.00 2.60 C ATOM 0 H LEU A 2 18.062 3.082 11.697 1.00 2.46 H new ATOM 0 HA LEU A 2 16.139 2.116 9.833 1.00 2.01 H new ATOM 0 HB2 LEU A 2 15.949 3.999 11.543 1.00 1.91 H new ATOM 0 HB3 LEU A 2 17.055 4.961 10.583 1.00 1.91 H new ATOM 0 HG LEU A 2 15.458 4.759 8.625 1.00 2.11 H new ATOM 0 HD11 LEU A 2 13.155 3.976 9.122 1.00 2.55 H new ATOM 0 HD12 LEU A 2 14.341 2.674 9.380 1.00 2.55 H new ATOM 0 HD13 LEU A 2 13.659 3.545 10.773 1.00 2.55 H new ATOM 0 HD21 LEU A 2 13.795 6.351 9.544 1.00 2.60 H new ATOM 0 HD22 LEU A 2 14.292 5.917 11.197 1.00 2.60 H new ATOM 0 HD23 LEU A 2 15.435 6.743 10.112 1.00 2.60 H new ATOM 39 N SER A 3 18.550 3.836 8.431 1.00 1.50 N ATOM 40 CA SER A 3 19.139 4.149 7.096 1.00 1.30 C ATOM 41 C SER A 3 18.056 4.687 6.155 1.00 0.93 C ATOM 42 O SER A 3 17.775 5.868 6.132 1.00 0.82 O ATOM 43 CB SER A 3 19.698 2.824 6.581 1.00 1.59 C ATOM 44 OG SER A 3 20.987 2.607 7.143 1.00 2.12 O ATOM 0 H SER A 3 19.092 4.166 9.230 1.00 1.50 H new ATOM 0 HA SER A 3 19.914 4.914 7.156 1.00 1.30 H new ATOM 0 HB2 SER A 3 19.030 2.006 6.849 1.00 1.59 H new ATOM 0 HB3 SER A 3 19.761 2.841 5.493 1.00 1.59 H new ATOM 0 HG SER A 3 21.348 1.757 6.816 1.00 2.12 H new ATOM 50 N GLN A 4 17.442 3.833 5.383 1.00 0.83 N ATOM 51 CA GLN A 4 16.376 4.308 4.455 1.00 0.50 C ATOM 52 C GLN A 4 15.154 3.393 4.540 1.00 0.44 C ATOM 53 O GLN A 4 15.214 2.305 5.078 1.00 0.60 O ATOM 54 CB GLN A 4 16.996 4.254 3.057 1.00 0.59 C ATOM 55 CG GLN A 4 18.144 5.261 2.970 1.00 0.63 C ATOM 56 CD GLN A 4 18.690 5.294 1.541 1.00 0.75 C ATOM 57 OE1 GLN A 4 18.811 4.268 0.900 1.00 1.10 O ATOM 58 NE2 GLN A 4 19.025 6.439 1.010 1.00 0.77 N ATOM 0 H GLN A 4 17.631 2.831 5.354 1.00 0.83 H new ATOM 0 HA GLN A 4 16.037 5.314 4.704 1.00 0.50 H new ATOM 0 HB2 GLN A 4 17.363 3.249 2.849 1.00 0.59 H new ATOM 0 HB3 GLN A 4 16.241 4.480 2.304 1.00 0.59 H new ATOM 0 HG2 GLN A 4 17.795 6.252 3.260 1.00 0.63 H new ATOM 0 HG3 GLN A 4 18.936 4.986 3.667 1.00 0.63 H new ATOM 0 HE21 GLN A 4 18.923 7.300 1.548 1.00 0.77 H new ATOM 0 HE22 GLN A 4 19.388 6.473 0.057 1.00 0.77 H new ATOM 67 N ILE A 5 14.046 3.831 4.014 1.00 0.29 N ATOM 68 CA ILE A 5 12.813 2.997 4.063 1.00 0.26 C ATOM 69 C ILE A 5 12.511 2.433 2.672 1.00 0.23 C ATOM 70 O ILE A 5 12.539 3.147 1.690 1.00 0.23 O ATOM 71 CB ILE A 5 11.708 3.959 4.490 1.00 0.28 C ATOM 72 CG1 ILE A 5 12.050 4.565 5.853 1.00 0.40 C ATOM 73 CG2 ILE A 5 10.387 3.196 4.587 1.00 0.31 C ATOM 74 CD1 ILE A 5 11.076 5.702 6.165 1.00 0.45 C ATOM 0 H ILE A 5 13.940 4.733 3.551 1.00 0.29 H new ATOM 0 HA ILE A 5 12.909 2.151 4.744 1.00 0.26 H new ATOM 0 HB ILE A 5 11.617 4.759 3.755 1.00 0.28 H new ATOM 0 HG12 ILE A 5 11.993 3.800 6.628 1.00 0.40 H new ATOM 0 HG13 ILE A 5 13.074 4.939 5.850 1.00 0.40 H new ATOM 0 HG21 ILE A 5 9.594 3.879 4.892 1.00 0.31 H new ATOM 0 HG22 ILE A 5 10.143 2.767 3.615 1.00 0.31 H new ATOM 0 HG23 ILE A 5 10.481 2.398 5.323 1.00 0.31 H new ATOM 0 HD11 ILE A 5 11.320 6.134 7.136 1.00 0.45 H new ATOM 0 HD12 ILE A 5 11.155 6.470 5.396 1.00 0.45 H new ATOM 0 HD13 ILE A 5 10.058 5.313 6.186 1.00 0.45 H new ATOM 86 N ALA A 6 12.218 1.165 2.572 1.00 0.24 N ATOM 87 CA ALA A 6 11.914 0.591 1.234 1.00 0.24 C ATOM 88 C ALA A 6 10.405 0.574 1.003 1.00 0.23 C ATOM 89 O ALA A 6 9.650 0.010 1.773 1.00 0.27 O ATOM 90 CB ALA A 6 12.470 -0.831 1.268 1.00 0.30 C ATOM 0 H ALA A 6 12.177 0.509 3.352 1.00 0.24 H new ATOM 0 HA ALA A 6 12.355 1.175 0.426 1.00 0.24 H new ATOM 0 HB1 ALA A 6 12.282 -1.318 0.311 1.00 0.30 H new ATOM 0 HB2 ALA A 6 13.544 -0.798 1.453 1.00 0.30 H new ATOM 0 HB3 ALA A 6 11.982 -1.394 2.064 1.00 0.30 H new ATOM 96 N ILE A 7 9.959 1.189 -0.053 1.00 0.21 N ATOM 97 CA ILE A 7 8.501 1.210 -0.339 1.00 0.21 C ATOM 98 C ILE A 7 8.245 0.777 -1.782 1.00 0.24 C ATOM 99 O ILE A 7 8.860 1.271 -2.706 1.00 0.38 O ATOM 100 CB ILE A 7 8.077 2.661 -0.123 1.00 0.22 C ATOM 101 CG1 ILE A 7 8.346 3.061 1.327 1.00 0.21 C ATOM 102 CG2 ILE A 7 6.586 2.816 -0.420 1.00 0.27 C ATOM 103 CD1 ILE A 7 7.844 4.485 1.554 1.00 0.21 C ATOM 0 H ILE A 7 10.542 1.679 -0.732 1.00 0.21 H new ATOM 0 HA ILE A 7 7.940 0.527 0.299 1.00 0.21 H new ATOM 0 HB ILE A 7 8.648 3.303 -0.794 1.00 0.22 H new ATOM 0 HG12 ILE A 7 7.844 2.372 2.006 1.00 0.21 H new ATOM 0 HG13 ILE A 7 9.413 3.000 1.542 1.00 0.21 H new ATOM 0 HG21 ILE A 7 6.290 3.853 -0.264 1.00 0.27 H new ATOM 0 HG22 ILE A 7 6.390 2.534 -1.455 1.00 0.27 H new ATOM 0 HG23 ILE A 7 6.013 2.171 0.246 1.00 0.27 H new ATOM 0 HD11 ILE A 7 8.033 4.777 2.587 1.00 0.21 H new ATOM 0 HD12 ILE A 7 8.367 5.166 0.883 1.00 0.21 H new ATOM 0 HD13 ILE A 7 6.773 4.530 1.354 1.00 0.21 H new ATOM 115 N CYS A 8 7.344 -0.141 -1.981 1.00 0.21 N ATOM 116 CA CYS A 8 7.046 -0.606 -3.363 1.00 0.25 C ATOM 117 C CYS A 8 5.590 -0.293 -3.702 1.00 0.20 C ATOM 118 O CYS A 8 4.677 -0.798 -3.080 1.00 0.26 O ATOM 119 CB CYS A 8 7.282 -2.113 -3.328 1.00 0.34 C ATOM 120 SG CYS A 8 7.535 -2.727 -5.011 1.00 1.04 S ATOM 0 H CYS A 8 6.799 -0.591 -1.245 1.00 0.21 H new ATOM 0 HA CYS A 8 7.665 -0.120 -4.117 1.00 0.25 H new ATOM 0 HB2 CYS A 8 8.152 -2.341 -2.712 1.00 0.34 H new ATOM 0 HB3 CYS A 8 6.429 -2.614 -2.872 1.00 0.34 H new ATOM 0 HG CYS A 8 8.288 -3.786 -4.978 1.00 1.04 H new ATOM 126 N ILE A 9 5.363 0.549 -4.669 1.00 0.18 N ATOM 127 CA ILE A 9 3.962 0.904 -5.024 1.00 0.17 C ATOM 128 C ILE A 9 3.511 0.176 -6.283 1.00 0.18 C ATOM 129 O ILE A 9 4.285 -0.081 -7.183 1.00 0.21 O ATOM 130 CB ILE A 9 4.001 2.401 -5.299 1.00 0.22 C ATOM 131 CG1 ILE A 9 2.635 2.875 -5.804 1.00 0.28 C ATOM 132 CG2 ILE A 9 5.049 2.672 -6.372 1.00 0.26 C ATOM 133 CD1 ILE A 9 2.631 4.402 -5.889 1.00 0.91 C ATOM 0 H ILE A 9 6.084 1.006 -5.228 1.00 0.18 H new ATOM 0 HA ILE A 9 3.269 0.628 -4.229 1.00 0.17 H new ATOM 0 HB ILE A 9 4.248 2.935 -4.381 1.00 0.22 H new ATOM 0 HG12 ILE A 9 2.427 2.444 -6.783 1.00 0.28 H new ATOM 0 HG13 ILE A 9 1.847 2.534 -5.132 1.00 0.28 H new ATOM 0 HG21 ILE A 9 5.089 3.741 -6.580 1.00 0.26 H new ATOM 0 HG22 ILE A 9 6.024 2.334 -6.022 1.00 0.26 H new ATOM 0 HG23 ILE A 9 4.785 2.135 -7.283 1.00 0.26 H new ATOM 0 HD11 ILE A 9 1.660 4.744 -6.248 1.00 0.91 H new ATOM 0 HD12 ILE A 9 2.821 4.822 -4.901 1.00 0.91 H new ATOM 0 HD13 ILE A 9 3.409 4.730 -6.578 1.00 0.91 H new ATOM 145 N TRP A 10 2.248 -0.111 -6.370 1.00 0.18 N ATOM 146 CA TRP A 10 1.727 -0.769 -7.596 1.00 0.19 C ATOM 147 C TRP A 10 0.734 0.174 -8.261 1.00 0.19 C ATOM 148 O TRP A 10 -0.331 0.438 -7.738 1.00 0.27 O ATOM 149 CB TRP A 10 1.023 -2.050 -7.158 1.00 0.22 C ATOM 150 CG TRP A 10 0.282 -2.596 -8.338 1.00 0.22 C ATOM 151 CD1 TRP A 10 0.586 -2.326 -9.630 1.00 0.26 C ATOM 152 CD2 TRP A 10 -0.872 -3.483 -8.367 1.00 0.23 C ATOM 153 NE1 TRP A 10 -0.310 -2.988 -10.450 1.00 0.28 N ATOM 154 CE2 TRP A 10 -1.227 -3.716 -9.719 1.00 0.27 C ATOM 155 CE3 TRP A 10 -1.641 -4.098 -7.365 1.00 0.26 C ATOM 156 CZ2 TRP A 10 -2.302 -4.536 -10.061 1.00 0.31 C ATOM 157 CZ3 TRP A 10 -2.724 -4.924 -7.706 1.00 0.31 C ATOM 158 CH2 TRP A 10 -3.054 -5.141 -9.051 1.00 0.33 C ATOM 0 H TRP A 10 1.554 0.080 -5.648 1.00 0.18 H new ATOM 0 HA TRP A 10 2.524 -1.002 -8.302 1.00 0.19 H new ATOM 0 HB2 TRP A 10 1.748 -2.778 -6.793 1.00 0.22 H new ATOM 0 HB3 TRP A 10 0.335 -1.846 -6.337 1.00 0.22 H new ATOM 0 HD1 TRP A 10 1.397 -1.696 -9.966 1.00 0.26 H new ATOM 0 HE1 TRP A 10 -0.295 -2.944 -11.469 1.00 0.28 H new ATOM 0 HE3 TRP A 10 -1.398 -3.934 -6.326 1.00 0.26 H new ATOM 0 HZ2 TRP A 10 -2.551 -4.702 -11.099 1.00 0.31 H new ATOM 0 HZ3 TRP A 10 -3.306 -5.395 -6.928 1.00 0.31 H new ATOM 0 HH2 TRP A 10 -3.890 -5.776 -9.306 1.00 0.33 H new ATOM 169 N VAL A 11 1.074 0.700 -9.396 1.00 0.22 N ATOM 170 CA VAL A 11 0.145 1.640 -10.070 1.00 0.24 C ATOM 171 C VAL A 11 0.400 1.642 -11.578 1.00 0.23 C ATOM 172 O VAL A 11 1.516 1.793 -12.034 1.00 0.33 O ATOM 173 CB VAL A 11 0.461 2.998 -9.442 1.00 0.33 C ATOM 174 CG1 VAL A 11 1.975 3.189 -9.365 1.00 0.90 C ATOM 175 CG2 VAL A 11 -0.158 4.111 -10.286 1.00 0.89 C ATOM 0 H VAL A 11 1.951 0.522 -9.886 1.00 0.22 H new ATOM 0 HA VAL A 11 -0.904 1.372 -9.943 1.00 0.24 H new ATOM 0 HB VAL A 11 0.043 3.036 -8.436 1.00 0.33 H new ATOM 0 HG11 VAL A 11 2.197 4.158 -8.917 1.00 0.90 H new ATOM 0 HG12 VAL A 11 2.411 2.398 -8.754 1.00 0.90 H new ATOM 0 HG13 VAL A 11 2.398 3.148 -10.369 1.00 0.90 H new ATOM 0 HG21 VAL A 11 0.069 5.078 -9.836 1.00 0.89 H new ATOM 0 HG22 VAL A 11 0.254 4.075 -11.295 1.00 0.89 H new ATOM 0 HG23 VAL A 11 -1.239 3.976 -10.330 1.00 0.89 H new ATOM 185 N GLU A 12 -0.634 1.468 -12.350 1.00 0.30 N ATOM 186 CA GLU A 12 -0.473 1.449 -13.831 1.00 0.35 C ATOM 187 C GLU A 12 -0.498 2.876 -14.386 1.00 0.37 C ATOM 188 O GLU A 12 -0.238 3.105 -15.550 1.00 0.58 O ATOM 189 CB GLU A 12 -1.664 0.635 -14.342 1.00 0.43 C ATOM 190 CG GLU A 12 -1.405 -0.855 -14.105 1.00 0.54 C ATOM 191 CD GLU A 12 -2.492 -1.680 -14.796 1.00 0.78 C ATOM 192 OE1 GLU A 12 -3.445 -1.087 -15.275 1.00 1.33 O ATOM 193 OE2 GLU A 12 -2.354 -2.892 -14.835 1.00 1.49 O ATOM 0 H GLU A 12 -1.590 1.337 -12.018 1.00 0.30 H new ATOM 0 HA GLU A 12 0.476 1.015 -14.144 1.00 0.35 H new ATOM 0 HB2 GLU A 12 -2.575 0.943 -13.829 1.00 0.43 H new ATOM 0 HB3 GLU A 12 -1.818 0.824 -15.405 1.00 0.43 H new ATOM 0 HG2 GLU A 12 -0.424 -1.130 -14.492 1.00 0.54 H new ATOM 0 HG3 GLU A 12 -1.397 -1.068 -13.036 1.00 0.54 H new ATOM 200 N SER A 13 -0.795 3.839 -13.556 1.00 0.30 N ATOM 201 CA SER A 13 -0.822 5.253 -14.031 1.00 0.33 C ATOM 202 C SER A 13 0.417 5.990 -13.514 1.00 0.31 C ATOM 203 O SER A 13 0.622 6.110 -12.323 1.00 0.38 O ATOM 204 CB SER A 13 -2.092 5.851 -13.427 1.00 0.39 C ATOM 205 OG SER A 13 -2.322 7.136 -13.992 1.00 0.51 O ATOM 0 H SER A 13 -1.020 3.708 -12.570 1.00 0.30 H new ATOM 0 HA SER A 13 -0.818 5.331 -15.118 1.00 0.33 H new ATOM 0 HB2 SER A 13 -2.943 5.198 -13.621 1.00 0.39 H new ATOM 0 HB3 SER A 13 -1.991 5.930 -12.345 1.00 0.39 H new ATOM 0 HG SER A 13 -3.137 7.521 -13.608 1.00 0.51 H new ATOM 211 N THR A 14 1.248 6.481 -14.394 1.00 0.34 N ATOM 212 CA THR A 14 2.468 7.200 -13.929 1.00 0.35 C ATOM 213 C THR A 14 2.068 8.379 -13.043 1.00 0.33 C ATOM 214 O THR A 14 2.638 8.597 -11.992 1.00 0.32 O ATOM 215 CB THR A 14 3.162 7.692 -15.199 1.00 0.44 C ATOM 216 OG1 THR A 14 3.050 6.701 -16.212 1.00 0.53 O ATOM 217 CG2 THR A 14 4.640 7.953 -14.904 1.00 0.49 C ATOM 0 H THR A 14 1.136 6.416 -15.406 1.00 0.34 H new ATOM 0 HA THR A 14 3.124 6.560 -13.339 1.00 0.35 H new ATOM 0 HB THR A 14 2.691 8.615 -15.537 1.00 0.44 H new ATOM 0 HG1 THR A 14 3.493 7.015 -17.028 1.00 0.53 H new ATOM 0 HG21 THR A 14 5.135 8.304 -15.809 1.00 0.49 H new ATOM 0 HG22 THR A 14 4.727 8.711 -14.126 1.00 0.49 H new ATOM 0 HG23 THR A 14 5.112 7.030 -14.566 1.00 0.49 H new ATOM 225 N ALA A 15 1.083 9.135 -13.446 1.00 0.38 N ATOM 226 CA ALA A 15 0.652 10.283 -12.604 1.00 0.39 C ATOM 227 C ALA A 15 0.399 9.784 -11.183 1.00 0.35 C ATOM 228 O ALA A 15 0.904 10.328 -10.221 1.00 0.36 O ATOM 229 CB ALA A 15 -0.643 10.788 -13.243 1.00 0.47 C ATOM 0 H ALA A 15 0.563 9.008 -14.314 1.00 0.38 H new ATOM 0 HA ALA A 15 1.398 11.076 -12.549 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -1.022 11.637 -12.675 1.00 0.47 H new ATOM 0 HB2 ALA A 15 -0.446 11.097 -14.270 1.00 0.47 H new ATOM 0 HB3 ALA A 15 -1.385 9.990 -13.241 1.00 0.47 H new ATOM 235 N ILE A 16 -0.359 8.730 -11.049 1.00 0.34 N ATOM 236 CA ILE A 16 -0.621 8.169 -9.696 1.00 0.33 C ATOM 237 C ILE A 16 0.698 7.705 -9.085 1.00 0.29 C ATOM 238 O ILE A 16 0.972 7.922 -7.922 1.00 0.31 O ATOM 239 CB ILE A 16 -1.546 6.978 -9.936 1.00 0.36 C ATOM 240 CG1 ILE A 16 -2.936 7.482 -10.330 1.00 0.45 C ATOM 241 CG2 ILE A 16 -1.639 6.137 -8.662 1.00 0.39 C ATOM 242 CD1 ILE A 16 -3.764 6.319 -10.876 1.00 0.47 C ATOM 0 H ILE A 16 -0.808 8.234 -11.819 1.00 0.34 H new ATOM 0 HA ILE A 16 -1.066 8.893 -9.014 1.00 0.33 H new ATOM 0 HB ILE A 16 -1.146 6.363 -10.742 1.00 0.36 H new ATOM 0 HG12 ILE A 16 -3.433 7.922 -9.466 1.00 0.45 H new ATOM 0 HG13 ILE A 16 -2.850 8.266 -11.082 1.00 0.45 H new ATOM 0 HG21 ILE A 16 -2.299 5.287 -8.834 1.00 0.39 H new ATOM 0 HG22 ILE A 16 -0.647 5.776 -8.391 1.00 0.39 H new ATOM 0 HG23 ILE A 16 -2.037 6.747 -7.851 1.00 0.39 H new ATOM 0 HD11 ILE A 16 -4.754 6.678 -11.157 1.00 0.47 H new ATOM 0 HD12 ILE A 16 -3.269 5.899 -11.751 1.00 0.47 H new ATOM 0 HD13 ILE A 16 -3.860 5.550 -10.110 1.00 0.47 H new ATOM 254 N LEU A 17 1.522 7.075 -9.876 1.00 0.25 N ATOM 255 CA LEU A 17 2.837 6.602 -9.365 1.00 0.25 C ATOM 256 C LEU A 17 3.665 7.807 -8.916 1.00 0.25 C ATOM 257 O LEU A 17 4.235 7.815 -7.843 1.00 0.30 O ATOM 258 CB LEU A 17 3.481 5.886 -10.558 1.00 0.26 C ATOM 259 CG LEU A 17 5.007 5.875 -10.426 1.00 0.30 C ATOM 260 CD1 LEU A 17 5.565 7.218 -10.894 1.00 0.34 C ATOM 261 CD2 LEU A 17 5.409 5.632 -8.968 1.00 0.33 C ATOM 0 H LEU A 17 1.339 6.867 -10.858 1.00 0.25 H new ATOM 0 HA LEU A 17 2.756 5.938 -8.504 1.00 0.25 H new ATOM 0 HB2 LEU A 17 3.109 4.863 -10.618 1.00 0.26 H new ATOM 0 HB3 LEU A 17 3.195 6.384 -11.484 1.00 0.26 H new ATOM 0 HG LEU A 17 5.413 5.073 -11.042 1.00 0.30 H new ATOM 0 HD11 LEU A 17 6.651 7.213 -10.801 1.00 0.34 H new ATOM 0 HD12 LEU A 17 5.291 7.383 -11.936 1.00 0.34 H new ATOM 0 HD13 LEU A 17 5.152 8.018 -10.279 1.00 0.34 H new ATOM 0 HD21 LEU A 17 6.496 5.626 -8.886 1.00 0.33 H new ATOM 0 HD22 LEU A 17 5.002 6.426 -8.341 1.00 0.33 H new ATOM 0 HD23 LEU A 17 5.015 4.671 -8.637 1.00 0.33 H new ATOM 273 N GLN A 18 3.720 8.837 -9.719 1.00 0.25 N ATOM 274 CA GLN A 18 4.499 10.042 -9.319 1.00 0.28 C ATOM 275 C GLN A 18 3.844 10.710 -8.110 1.00 0.27 C ATOM 276 O GLN A 18 4.511 11.146 -7.193 1.00 0.32 O ATOM 277 CB GLN A 18 4.457 10.972 -10.532 1.00 0.31 C ATOM 278 CG GLN A 18 5.125 10.289 -11.727 1.00 0.37 C ATOM 279 CD GLN A 18 5.155 11.255 -12.913 1.00 0.45 C ATOM 280 OE1 GLN A 18 4.286 12.093 -13.050 1.00 1.12 O ATOM 281 NE2 GLN A 18 6.125 11.173 -13.781 1.00 0.92 N ATOM 0 H GLN A 18 3.262 8.895 -10.628 1.00 0.25 H new ATOM 0 HA GLN A 18 5.522 9.795 -9.036 1.00 0.28 H new ATOM 0 HB2 GLN A 18 3.424 11.223 -10.775 1.00 0.31 H new ATOM 0 HB3 GLN A 18 4.967 11.908 -10.303 1.00 0.31 H new ATOM 0 HG2 GLN A 18 6.139 9.985 -11.466 1.00 0.37 H new ATOM 0 HG3 GLN A 18 4.579 9.384 -11.995 1.00 0.37 H new ATOM 0 HE21 GLN A 18 6.854 10.469 -13.666 1.00 0.92 H new ATOM 0 HE22 GLN A 18 6.154 11.813 -14.575 1.00 0.92 H new ATOM 290 N ASP A 19 2.541 10.788 -8.095 1.00 0.27 N ATOM 291 CA ASP A 19 1.854 11.421 -6.936 1.00 0.28 C ATOM 292 C ASP A 19 2.130 10.608 -5.672 1.00 0.29 C ATOM 293 O ASP A 19 2.472 11.145 -4.637 1.00 0.32 O ATOM 294 CB ASP A 19 0.366 11.389 -7.286 1.00 0.33 C ATOM 295 CG ASP A 19 0.093 12.349 -8.445 1.00 0.38 C ATOM 296 OD1 ASP A 19 1.037 12.967 -8.910 1.00 1.18 O ATOM 297 OD2 ASP A 19 -1.053 12.447 -8.849 1.00 1.08 O ATOM 0 H ASP A 19 1.926 10.442 -8.832 1.00 0.27 H new ATOM 0 HA ASP A 19 2.198 12.438 -6.749 1.00 0.28 H new ATOM 0 HB2 ASP A 19 0.068 10.377 -7.560 1.00 0.33 H new ATOM 0 HB3 ASP A 19 -0.229 11.672 -6.418 1.00 0.33 H new ATOM 302 N CYS A 20 1.996 9.311 -5.752 1.00 0.33 N ATOM 303 CA CYS A 20 2.265 8.463 -4.557 1.00 0.40 C ATOM 304 C CYS A 20 3.727 8.613 -4.140 1.00 0.41 C ATOM 305 O CYS A 20 4.037 8.782 -2.978 1.00 0.50 O ATOM 306 CB CYS A 20 1.984 7.031 -5.011 1.00 0.46 C ATOM 307 SG CYS A 20 0.207 6.819 -5.281 1.00 0.97 S ATOM 0 H CYS A 20 1.713 8.804 -6.591 1.00 0.33 H new ATOM 0 HA CYS A 20 1.651 8.742 -3.701 1.00 0.40 H new ATOM 0 HB2 CYS A 20 2.530 6.816 -5.930 1.00 0.46 H new ATOM 0 HB3 CYS A 20 2.335 6.325 -4.259 1.00 0.46 H new ATOM 0 HG CYS A 20 -0.095 7.189 -6.490 1.00 0.97 H new ATOM 313 N GLN A 21 4.629 8.566 -5.083 1.00 0.37 N ATOM 314 CA GLN A 21 6.066 8.720 -4.735 1.00 0.42 C ATOM 315 C GLN A 21 6.347 10.173 -4.353 1.00 0.36 C ATOM 316 O GLN A 21 7.155 10.452 -3.488 1.00 0.39 O ATOM 317 CB GLN A 21 6.830 8.328 -5.998 1.00 0.53 C ATOM 318 CG GLN A 21 6.682 6.823 -6.231 1.00 0.63 C ATOM 319 CD GLN A 21 7.734 6.349 -7.235 1.00 0.79 C ATOM 320 OE1 GLN A 21 7.990 5.168 -7.348 1.00 1.80 O ATOM 321 NE2 GLN A 21 8.361 7.224 -7.970 1.00 0.55 N ATOM 0 H GLN A 21 4.432 8.428 -6.074 1.00 0.37 H new ATOM 0 HA GLN A 21 6.362 8.103 -3.887 1.00 0.42 H new ATOM 0 HB2 GLN A 21 6.446 8.880 -6.856 1.00 0.53 H new ATOM 0 HB3 GLN A 21 7.883 8.590 -5.896 1.00 0.53 H new ATOM 0 HG2 GLN A 21 6.797 6.287 -5.289 1.00 0.63 H new ATOM 0 HG3 GLN A 21 5.683 6.600 -6.605 1.00 0.63 H new ATOM 0 HE21 GLN A 21 8.146 8.217 -7.876 1.00 0.55 H new ATOM 0 HE22 GLN A 21 9.066 6.916 -8.640 1.00 0.55 H new ATOM 330 N ARG A 22 5.678 11.101 -4.984 1.00 0.33 N ATOM 331 CA ARG A 22 5.901 12.535 -4.644 1.00 0.34 C ATOM 332 C ARG A 22 5.792 12.717 -3.135 1.00 0.29 C ATOM 333 O ARG A 22 6.682 13.239 -2.494 1.00 0.32 O ATOM 334 CB ARG A 22 4.780 13.288 -5.355 1.00 0.35 C ATOM 335 CG ARG A 22 5.343 14.009 -6.580 1.00 0.78 C ATOM 336 CD ARG A 22 4.195 14.394 -7.515 1.00 1.42 C ATOM 337 NE ARG A 22 4.777 15.394 -8.452 1.00 1.61 N ATOM 338 CZ ARG A 22 5.618 15.017 -9.378 1.00 2.21 C ATOM 339 NH1 ARG A 22 5.945 13.759 -9.492 1.00 2.78 N ATOM 340 NH2 ARG A 22 6.128 15.900 -10.192 1.00 2.80 N ATOM 0 H ARG A 22 4.990 10.929 -5.717 1.00 0.33 H new ATOM 0 HA ARG A 22 6.884 12.894 -4.949 1.00 0.34 H new ATOM 0 HB2 ARG A 22 3.996 12.593 -5.658 1.00 0.35 H new ATOM 0 HB3 ARG A 22 4.323 14.007 -4.675 1.00 0.35 H new ATOM 0 HG2 ARG A 22 5.890 14.900 -6.272 1.00 0.78 H new ATOM 0 HG3 ARG A 22 6.051 13.365 -7.101 1.00 0.78 H new ATOM 0 HD2 ARG A 22 3.815 13.525 -8.052 1.00 1.42 H new ATOM 0 HD3 ARG A 22 3.358 14.816 -6.959 1.00 1.42 H new ATOM 0 HE ARG A 22 4.518 16.377 -8.371 1.00 1.61 H new ATOM 0 HH11 ARG A 22 5.544 13.068 -8.858 1.00 2.78 H new ATOM 0 HH12 ARG A 22 6.602 13.466 -10.216 1.00 2.78 H new ATOM 0 HH21 ARG A 22 5.870 16.883 -10.105 1.00 2.80 H new ATOM 0 HH22 ARG A 22 6.785 15.607 -10.915 1.00 2.80 H new ATOM 354 N ALA A 23 4.714 12.266 -2.560 1.00 0.25 N ATOM 355 CA ALA A 23 4.561 12.386 -1.088 1.00 0.26 C ATOM 356 C ALA A 23 5.710 11.627 -0.423 1.00 0.25 C ATOM 357 O ALA A 23 6.397 12.140 0.438 1.00 0.29 O ATOM 358 CB ALA A 23 3.210 11.739 -0.782 1.00 0.26 C ATOM 0 H ALA A 23 3.935 11.821 -3.045 1.00 0.25 H new ATOM 0 HA ALA A 23 4.591 13.412 -0.722 1.00 0.26 H new ATOM 0 HB1 ALA A 23 3.019 11.786 0.290 1.00 0.26 H new ATOM 0 HB2 ALA A 23 2.422 12.272 -1.315 1.00 0.26 H new ATOM 0 HB3 ALA A 23 3.224 10.697 -1.103 1.00 0.26 H new ATOM 364 N LEU A 24 5.935 10.409 -0.841 1.00 0.24 N ATOM 365 CA LEU A 24 7.049 9.609 -0.269 1.00 0.28 C ATOM 366 C LEU A 24 8.349 9.933 -1.016 1.00 0.39 C ATOM 367 O LEU A 24 8.907 9.103 -1.705 1.00 0.91 O ATOM 368 CB LEU A 24 6.618 8.167 -0.513 1.00 0.23 C ATOM 369 CG LEU A 24 5.286 7.939 0.199 1.00 0.19 C ATOM 370 CD1 LEU A 24 4.797 6.512 -0.036 1.00 0.20 C ATOM 371 CD2 LEU A 24 5.480 8.170 1.694 1.00 0.26 C ATOM 0 H LEU A 24 5.389 9.934 -1.560 1.00 0.24 H new ATOM 0 HA LEU A 24 7.238 9.810 0.786 1.00 0.28 H new ATOM 0 HB2 LEU A 24 6.515 7.977 -1.581 1.00 0.23 H new ATOM 0 HB3 LEU A 24 7.373 7.476 -0.137 1.00 0.23 H new ATOM 0 HG LEU A 24 4.543 8.633 -0.195 1.00 0.19 H new ATOM 0 HD11 LEU A 24 3.847 6.364 0.477 1.00 0.20 H new ATOM 0 HD12 LEU A 24 4.662 6.345 -1.105 1.00 0.20 H new ATOM 0 HD13 LEU A 24 5.532 5.807 0.351 1.00 0.20 H new ATOM 0 HD21 LEU A 24 4.535 8.010 2.213 1.00 0.26 H new ATOM 0 HD22 LEU A 24 6.226 7.473 2.076 1.00 0.26 H new ATOM 0 HD23 LEU A 24 5.818 9.192 1.863 1.00 0.26 H new ATOM 383 N SER A 25 8.826 11.142 -0.888 1.00 0.39 N ATOM 384 CA SER A 25 10.081 11.537 -1.594 1.00 0.40 C ATOM 385 C SER A 25 11.226 11.708 -0.592 1.00 0.34 C ATOM 386 O SER A 25 12.360 11.937 -0.964 1.00 0.63 O ATOM 387 CB SER A 25 9.758 12.869 -2.270 1.00 0.59 C ATOM 388 OG SER A 25 8.984 12.627 -3.439 1.00 1.65 O ATOM 0 H SER A 25 8.399 11.876 -0.323 1.00 0.39 H new ATOM 0 HA SER A 25 10.400 10.783 -2.313 1.00 0.40 H new ATOM 0 HB2 SER A 25 9.210 13.515 -1.584 1.00 0.59 H new ATOM 0 HB3 SER A 25 10.679 13.390 -2.531 1.00 0.59 H new ATOM 0 HG SER A 25 8.165 13.163 -3.406 1.00 1.65 H new ATOM 394 N ALA A 26 10.934 11.594 0.676 1.00 0.44 N ATOM 395 CA ALA A 26 11.996 11.744 1.715 1.00 0.39 C ATOM 396 C ALA A 26 13.322 11.166 1.208 1.00 0.40 C ATOM 397 O ALA A 26 13.353 10.162 0.525 1.00 0.46 O ATOM 398 CB ALA A 26 11.482 10.940 2.914 1.00 0.35 C ATOM 0 H ALA A 26 10.000 11.402 1.039 1.00 0.44 H new ATOM 0 HA ALA A 26 12.185 12.787 1.969 1.00 0.39 H new ATOM 0 HB1 ALA A 26 12.205 10.997 3.727 1.00 0.35 H new ATOM 0 HB2 ALA A 26 10.529 11.352 3.247 1.00 0.35 H new ATOM 0 HB3 ALA A 26 11.345 9.899 2.622 1.00 0.35 H new ATOM 404 N ASP A 27 14.418 11.795 1.538 1.00 0.47 N ATOM 405 CA ASP A 27 15.744 11.288 1.075 1.00 0.55 C ATOM 406 C ASP A 27 15.968 9.849 1.550 1.00 0.49 C ATOM 407 O ASP A 27 16.868 9.170 1.095 1.00 0.60 O ATOM 408 CB ASP A 27 16.770 12.227 1.714 1.00 0.68 C ATOM 409 CG ASP A 27 16.813 13.547 0.940 1.00 1.29 C ATOM 410 OD1 ASP A 27 17.441 13.578 -0.105 1.00 1.98 O ATOM 411 OD2 ASP A 27 16.218 14.505 1.407 1.00 1.90 O ATOM 0 H ASP A 27 14.453 12.639 2.109 1.00 0.47 H new ATOM 0 HA ASP A 27 15.819 11.274 -0.012 1.00 0.55 H new ATOM 0 HB2 ASP A 27 16.508 12.413 2.755 1.00 0.68 H new ATOM 0 HB3 ASP A 27 17.755 11.761 1.712 1.00 0.68 H new ATOM 416 N ARG A 28 15.165 9.377 2.463 1.00 0.38 N ATOM 417 CA ARG A 28 15.345 7.984 2.965 1.00 0.36 C ATOM 418 C ARG A 28 14.276 7.055 2.382 1.00 0.32 C ATOM 419 O ARG A 28 14.003 6.001 2.919 1.00 0.39 O ATOM 420 CB ARG A 28 15.186 8.093 4.482 1.00 0.39 C ATOM 421 CG ARG A 28 13.728 8.415 4.816 1.00 0.41 C ATOM 422 CD ARG A 28 13.604 8.790 6.295 1.00 0.54 C ATOM 423 NE ARG A 28 12.150 9.047 6.497 1.00 1.09 N ATOM 424 CZ ARG A 28 11.654 9.114 7.703 1.00 1.46 C ATOM 425 NH1 ARG A 28 12.431 8.975 8.742 1.00 1.95 N ATOM 426 NH2 ARG A 28 10.376 9.324 7.868 1.00 1.95 N ATOM 0 H ARG A 28 14.393 9.894 2.883 1.00 0.38 H new ATOM 0 HA ARG A 28 16.310 7.567 2.678 1.00 0.36 H new ATOM 0 HB2 ARG A 28 15.482 7.158 4.958 1.00 0.39 H new ATOM 0 HB3 ARG A 28 15.841 8.872 4.873 1.00 0.39 H new ATOM 0 HG2 ARG A 28 13.376 9.237 4.193 1.00 0.41 H new ATOM 0 HG3 ARG A 28 13.096 7.554 4.596 1.00 0.41 H new ATOM 0 HD2 ARG A 28 13.957 7.985 6.939 1.00 0.54 H new ATOM 0 HD3 ARG A 28 14.199 9.672 6.532 1.00 0.54 H new ATOM 0 HE ARG A 28 11.539 9.171 5.689 1.00 1.09 H new ATOM 0 HH11 ARG A 28 13.430 8.813 8.614 1.00 1.95 H new ATOM 0 HH12 ARG A 28 12.039 9.028 9.682 1.00 1.95 H new ATOM 0 HH21 ARG A 28 9.768 9.435 7.056 1.00 1.95 H new ATOM 0 HH22 ARG A 28 9.985 9.377 8.809 1.00 1.95 H new ATOM 440 N TYR A 29 13.662 7.430 1.292 1.00 0.27 N ATOM 441 CA TYR A 29 12.614 6.549 0.705 1.00 0.24 C ATOM 442 C TYR A 29 13.122 5.849 -0.550 1.00 0.25 C ATOM 443 O TYR A 29 13.662 6.459 -1.452 1.00 0.32 O ATOM 444 CB TYR A 29 11.445 7.469 0.361 1.00 0.24 C ATOM 445 CG TYR A 29 10.514 7.552 1.542 1.00 0.21 C ATOM 446 CD1 TYR A 29 10.178 6.393 2.249 1.00 0.81 C ATOM 447 CD2 TYR A 29 9.999 8.788 1.936 1.00 0.83 C ATOM 448 CE1 TYR A 29 9.324 6.471 3.353 1.00 0.84 C ATOM 449 CE2 TYR A 29 9.145 8.869 3.037 1.00 0.82 C ATOM 450 CZ TYR A 29 8.806 7.710 3.750 1.00 0.26 C ATOM 451 OH TYR A 29 7.963 7.790 4.840 1.00 0.31 O ATOM 0 H TYR A 29 13.839 8.299 0.788 1.00 0.27 H new ATOM 0 HA TYR A 29 12.324 5.764 1.404 1.00 0.24 H new ATOM 0 HB2 TYR A 29 11.812 8.462 0.102 1.00 0.24 H new ATOM 0 HB3 TYR A 29 10.912 7.089 -0.511 1.00 0.24 H new ATOM 0 HD1 TYR A 29 10.578 5.438 1.942 1.00 0.81 H new ATOM 0 HD2 TYR A 29 10.261 9.682 1.389 1.00 0.83 H new ATOM 0 HE1 TYR A 29 9.064 5.576 3.899 1.00 0.84 H new ATOM 0 HE2 TYR A 29 8.745 9.825 3.340 1.00 0.82 H new ATOM 0 HH TYR A 29 7.696 8.723 4.979 1.00 0.31 H new ATOM 461 N GLN A 30 12.911 4.569 -0.620 1.00 0.25 N ATOM 462 CA GLN A 30 13.328 3.797 -1.823 1.00 0.27 C ATOM 463 C GLN A 30 12.060 3.296 -2.505 1.00 0.29 C ATOM 464 O GLN A 30 11.554 2.232 -2.207 1.00 0.35 O ATOM 465 CB GLN A 30 14.173 2.636 -1.297 1.00 0.32 C ATOM 466 CG GLN A 30 14.851 1.924 -2.469 1.00 0.85 C ATOM 467 CD GLN A 30 15.686 0.755 -1.943 1.00 0.89 C ATOM 468 OE1 GLN A 30 16.377 0.885 -0.952 1.00 1.53 O ATOM 469 NE2 GLN A 30 15.648 -0.390 -2.567 1.00 1.31 N ATOM 0 H GLN A 30 12.463 4.017 0.111 1.00 0.25 H new ATOM 0 HA GLN A 30 13.901 4.380 -2.544 1.00 0.27 H new ATOM 0 HB2 GLN A 30 14.924 3.006 -0.599 1.00 0.32 H new ATOM 0 HB3 GLN A 30 13.545 1.936 -0.747 1.00 0.32 H new ATOM 0 HG2 GLN A 30 14.100 1.561 -3.171 1.00 0.85 H new ATOM 0 HG3 GLN A 30 15.486 2.622 -3.014 1.00 0.85 H new ATOM 0 HE21 GLN A 30 15.068 -0.498 -3.399 1.00 1.31 H new ATOM 0 HE22 GLN A 30 16.199 -1.177 -2.223 1.00 1.31 H new ATOM 478 N LEU A 31 11.512 4.092 -3.375 1.00 0.32 N ATOM 479 CA LEU A 31 10.237 3.717 -4.040 1.00 0.40 C ATOM 480 C LEU A 31 10.457 2.816 -5.257 1.00 0.34 C ATOM 481 O LEU A 31 11.232 3.118 -6.144 1.00 0.42 O ATOM 482 CB LEU A 31 9.642 5.055 -4.470 1.00 0.53 C ATOM 483 CG LEU A 31 9.670 6.026 -3.287 1.00 0.54 C ATOM 484 CD1 LEU A 31 8.985 7.335 -3.681 1.00 1.03 C ATOM 485 CD2 LEU A 31 8.934 5.406 -2.098 1.00 1.00 C ATOM 0 H LEU A 31 11.896 4.994 -3.657 1.00 0.32 H new ATOM 0 HA LEU A 31 9.590 3.146 -3.374 1.00 0.40 H new ATOM 0 HB2 LEU A 31 10.208 5.466 -5.306 1.00 0.53 H new ATOM 0 HB3 LEU A 31 8.618 4.916 -4.817 1.00 0.53 H new ATOM 0 HG LEU A 31 10.705 6.227 -3.010 1.00 0.54 H new ATOM 0 HD11 LEU A 31 9.006 8.025 -2.837 1.00 1.03 H new ATOM 0 HD12 LEU A 31 9.509 7.780 -4.527 1.00 1.03 H new ATOM 0 HD13 LEU A 31 7.951 7.135 -3.960 1.00 1.03 H new ATOM 0 HD21 LEU A 31 8.955 6.098 -1.256 1.00 1.00 H new ATOM 0 HD22 LEU A 31 7.900 5.203 -2.376 1.00 1.00 H new ATOM 0 HD23 LEU A 31 9.423 4.474 -1.813 1.00 1.00 H new ATOM 497 N GLN A 32 9.742 1.726 -5.313 1.00 0.35 N ATOM 498 CA GLN A 32 9.853 0.805 -6.476 1.00 0.29 C ATOM 499 C GLN A 32 8.522 0.812 -7.227 1.00 0.26 C ATOM 500 O GLN A 32 7.474 0.622 -6.643 1.00 0.39 O ATOM 501 CB GLN A 32 10.126 -0.576 -5.879 1.00 0.35 C ATOM 502 CG GLN A 32 10.385 -1.574 -7.010 1.00 0.62 C ATOM 503 CD GLN A 32 11.642 -1.159 -7.775 1.00 0.55 C ATOM 504 OE1 GLN A 32 12.724 -1.143 -7.224 1.00 1.18 O ATOM 505 NE2 GLN A 32 11.543 -0.817 -9.031 1.00 0.68 N ATOM 0 H GLN A 32 9.080 1.433 -4.595 1.00 0.35 H new ATOM 0 HA GLN A 32 10.640 1.092 -7.174 1.00 0.29 H new ATOM 0 HB2 GLN A 32 10.987 -0.533 -5.212 1.00 0.35 H new ATOM 0 HB3 GLN A 32 9.275 -0.901 -5.280 1.00 0.35 H new ATOM 0 HG2 GLN A 32 10.508 -2.578 -6.603 1.00 0.62 H new ATOM 0 HG3 GLN A 32 9.529 -1.606 -7.685 1.00 0.62 H new ATOM 0 HE21 GLN A 32 10.634 -0.831 -9.493 1.00 0.68 H new ATOM 0 HE22 GLN A 32 12.375 -0.536 -9.550 1.00 0.68 H new ATOM 514 N VAL A 33 8.540 1.046 -8.507 1.00 0.20 N ATOM 515 CA VAL A 33 7.256 1.080 -9.257 1.00 0.19 C ATOM 516 C VAL A 33 7.010 -0.242 -9.976 1.00 0.19 C ATOM 517 O VAL A 33 7.868 -0.765 -10.660 1.00 0.22 O ATOM 518 CB VAL A 33 7.407 2.222 -10.255 1.00 0.25 C ATOM 519 CG1 VAL A 33 6.042 2.539 -10.871 1.00 0.32 C ATOM 520 CG2 VAL A 33 7.938 3.456 -9.526 1.00 0.30 C ATOM 0 H VAL A 33 9.379 1.214 -9.062 1.00 0.20 H new ATOM 0 HA VAL A 33 6.403 1.230 -8.595 1.00 0.19 H new ATOM 0 HB VAL A 33 8.103 1.935 -11.044 1.00 0.25 H new ATOM 0 HG11 VAL A 33 6.146 3.356 -11.585 1.00 0.32 H new ATOM 0 HG12 VAL A 33 5.660 1.656 -11.383 1.00 0.32 H new ATOM 0 HG13 VAL A 33 5.347 2.832 -10.084 1.00 0.32 H new ATOM 0 HG21 VAL A 33 8.049 4.277 -10.234 1.00 0.30 H new ATOM 0 HG22 VAL A 33 7.238 3.745 -8.742 1.00 0.30 H new ATOM 0 HG23 VAL A 33 8.907 3.227 -9.081 1.00 0.30 H new ATOM 530 N CYS A 34 5.836 -0.781 -9.821 1.00 0.21 N ATOM 531 CA CYS A 34 5.507 -2.070 -10.490 1.00 0.25 C ATOM 532 C CYS A 34 4.495 -1.825 -11.614 1.00 0.25 C ATOM 533 O CYS A 34 3.378 -1.413 -11.376 1.00 0.28 O ATOM 534 CB CYS A 34 4.898 -2.936 -9.385 1.00 0.31 C ATOM 535 SG CYS A 34 6.096 -3.127 -8.040 1.00 0.52 S ATOM 0 H CYS A 34 5.085 -0.383 -9.257 1.00 0.21 H new ATOM 0 HA CYS A 34 6.376 -2.547 -10.944 1.00 0.25 H new ATOM 0 HB2 CYS A 34 3.984 -2.476 -9.010 1.00 0.31 H new ATOM 0 HB3 CYS A 34 4.623 -3.913 -9.783 1.00 0.31 H new ATOM 0 HG CYS A 34 5.728 -2.402 -7.025 1.00 0.52 H new ATOM 541 N GLU A 35 4.882 -2.067 -12.840 1.00 0.29 N ATOM 542 CA GLU A 35 3.944 -1.839 -13.979 1.00 0.34 C ATOM 543 C GLU A 35 2.697 -2.718 -13.840 1.00 0.31 C ATOM 544 O GLU A 35 1.619 -2.349 -14.261 1.00 0.38 O ATOM 545 CB GLU A 35 4.733 -2.229 -15.230 1.00 0.44 C ATOM 546 CG GLU A 35 5.940 -1.301 -15.394 1.00 0.54 C ATOM 547 CD GLU A 35 6.688 -1.660 -16.680 1.00 0.87 C ATOM 548 OE1 GLU A 35 6.251 -2.573 -17.361 1.00 1.55 O ATOM 549 OE2 GLU A 35 7.684 -1.015 -16.963 1.00 1.37 O ATOM 0 H GLU A 35 5.806 -2.412 -13.101 1.00 0.29 H new ATOM 0 HA GLU A 35 3.597 -0.806 -14.017 1.00 0.34 H new ATOM 0 HB2 GLU A 35 5.067 -3.264 -15.153 1.00 0.44 H new ATOM 0 HB3 GLU A 35 4.092 -2.166 -16.109 1.00 0.44 H new ATOM 0 HG2 GLU A 35 5.612 -0.262 -15.430 1.00 0.54 H new ATOM 0 HG3 GLU A 35 6.605 -1.396 -14.535 1.00 0.54 H new ATOM 556 N SER A 36 2.833 -3.878 -13.259 1.00 0.30 N ATOM 557 CA SER A 36 1.651 -4.775 -13.105 1.00 0.30 C ATOM 558 C SER A 36 1.421 -5.096 -11.626 1.00 0.30 C ATOM 559 O SER A 36 2.005 -4.485 -10.752 1.00 0.30 O ATOM 560 CB SER A 36 2.008 -6.041 -13.884 1.00 0.34 C ATOM 561 OG SER A 36 1.461 -5.955 -15.195 1.00 1.37 O ATOM 0 H SER A 36 3.709 -4.244 -12.885 1.00 0.30 H new ATOM 0 HA SER A 36 0.734 -4.318 -13.475 1.00 0.30 H new ATOM 0 HB2 SER A 36 3.091 -6.157 -13.936 1.00 0.34 H new ATOM 0 HB3 SER A 36 1.617 -6.920 -13.371 1.00 0.34 H new ATOM 0 HG SER A 36 1.689 -6.764 -15.698 1.00 1.37 H new ATOM 567 N GLY A 37 0.593 -6.063 -11.336 1.00 0.33 N ATOM 568 CA GLY A 37 0.350 -6.435 -9.919 1.00 0.35 C ATOM 569 C GLY A 37 1.157 -7.692 -9.654 1.00 0.36 C ATOM 570 O GLY A 37 1.608 -7.952 -8.557 1.00 0.41 O ATOM 0 H GLY A 37 0.075 -6.611 -12.023 1.00 0.33 H new ATOM 0 HA2 GLY A 37 0.656 -5.631 -9.250 1.00 0.35 H new ATOM 0 HA3 GLY A 37 -0.711 -6.612 -9.742 1.00 0.35 H new ATOM 574 N GLU A 38 1.371 -8.451 -10.690 1.00 0.37 N ATOM 575 CA GLU A 38 2.181 -9.679 -10.573 1.00 0.42 C ATOM 576 C GLU A 38 3.634 -9.269 -10.390 1.00 0.40 C ATOM 577 O GLU A 38 4.372 -9.848 -9.618 1.00 0.43 O ATOM 578 CB GLU A 38 1.970 -10.391 -11.905 1.00 0.47 C ATOM 579 CG GLU A 38 0.646 -11.157 -11.869 1.00 0.56 C ATOM 580 CD GLU A 38 0.523 -12.034 -13.116 1.00 1.07 C ATOM 581 OE1 GLU A 38 1.386 -11.938 -13.973 1.00 1.71 O ATOM 582 OE2 GLU A 38 -0.433 -12.788 -13.193 1.00 1.65 O ATOM 0 H GLU A 38 1.010 -8.264 -11.626 1.00 0.37 H new ATOM 0 HA GLU A 38 1.910 -10.319 -9.733 1.00 0.42 H new ATOM 0 HB2 GLU A 38 1.961 -9.667 -12.719 1.00 0.47 H new ATOM 0 HB3 GLU A 38 2.795 -11.077 -12.097 1.00 0.47 H new ATOM 0 HG2 GLU A 38 0.596 -11.775 -10.972 1.00 0.56 H new ATOM 0 HG3 GLU A 38 -0.189 -10.458 -11.821 1.00 0.56 H new ATOM 589 N MET A 39 4.038 -8.243 -11.088 1.00 0.37 N ATOM 590 CA MET A 39 5.430 -7.753 -10.951 1.00 0.38 C ATOM 591 C MET A 39 5.665 -7.339 -9.500 1.00 0.35 C ATOM 592 O MET A 39 6.715 -7.565 -8.933 1.00 0.40 O ATOM 593 CB MET A 39 5.515 -6.547 -11.888 1.00 0.39 C ATOM 594 CG MET A 39 5.324 -7.016 -13.331 1.00 0.53 C ATOM 595 SD MET A 39 5.526 -5.614 -14.457 1.00 1.44 S ATOM 596 CE MET A 39 7.313 -5.417 -14.255 1.00 1.65 C ATOM 0 H MET A 39 3.459 -7.724 -11.748 1.00 0.37 H new ATOM 0 HA MET A 39 6.180 -8.502 -11.203 1.00 0.38 H new ATOM 0 HB2 MET A 39 4.751 -5.814 -11.627 1.00 0.39 H new ATOM 0 HB3 MET A 39 6.481 -6.054 -11.778 1.00 0.39 H new ATOM 0 HG2 MET A 39 6.049 -7.795 -13.570 1.00 0.53 H new ATOM 0 HG3 MET A 39 4.333 -7.454 -13.454 1.00 0.53 H new ATOM 0 HE1 MET A 39 7.731 -4.954 -15.149 1.00 1.65 H new ATOM 0 HE2 MET A 39 7.514 -4.785 -13.390 1.00 1.65 H new ATOM 0 HE3 MET A 39 7.772 -6.394 -14.104 1.00 1.65 H new ATOM 606 N LEU A 40 4.672 -6.745 -8.897 1.00 0.31 N ATOM 607 CA LEU A 40 4.793 -6.319 -7.476 1.00 0.31 C ATOM 608 C LEU A 40 5.057 -7.541 -6.591 1.00 0.31 C ATOM 609 O LEU A 40 5.886 -7.510 -5.703 1.00 0.33 O ATOM 610 CB LEU A 40 3.437 -5.675 -7.163 1.00 0.33 C ATOM 611 CG LEU A 40 3.099 -5.813 -5.676 1.00 0.64 C ATOM 612 CD1 LEU A 40 4.307 -5.421 -4.830 1.00 0.30 C ATOM 613 CD2 LEU A 40 1.927 -4.888 -5.338 1.00 1.48 C ATOM 0 H LEU A 40 3.774 -6.535 -9.333 1.00 0.31 H new ATOM 0 HA LEU A 40 5.617 -5.629 -7.296 1.00 0.31 H new ATOM 0 HB2 LEU A 40 3.458 -4.621 -7.439 1.00 0.33 H new ATOM 0 HB3 LEU A 40 2.658 -6.147 -7.763 1.00 0.33 H new ATOM 0 HG LEU A 40 2.831 -6.848 -5.463 1.00 0.64 H new ATOM 0 HD11 LEU A 40 4.059 -5.522 -3.773 1.00 0.30 H new ATOM 0 HD12 LEU A 40 5.146 -6.074 -5.070 1.00 0.30 H new ATOM 0 HD13 LEU A 40 4.580 -4.387 -5.042 1.00 0.30 H new ATOM 0 HD21 LEU A 40 1.682 -4.983 -4.280 1.00 1.48 H new ATOM 0 HD22 LEU A 40 2.203 -3.856 -5.556 1.00 1.48 H new ATOM 0 HD23 LEU A 40 1.060 -5.166 -5.937 1.00 1.48 H new ATOM 625 N LEU A 41 4.371 -8.624 -6.838 1.00 0.34 N ATOM 626 CA LEU A 41 4.594 -9.851 -6.022 1.00 0.38 C ATOM 627 C LEU A 41 6.046 -10.317 -6.150 1.00 0.38 C ATOM 628 O LEU A 41 6.678 -10.682 -5.179 1.00 0.40 O ATOM 629 CB LEU A 41 3.642 -10.887 -6.615 1.00 0.44 C ATOM 630 CG LEU A 41 2.209 -10.392 -6.452 1.00 0.48 C ATOM 631 CD1 LEU A 41 1.259 -11.309 -7.221 1.00 0.56 C ATOM 632 CD2 LEU A 41 1.848 -10.405 -4.968 1.00 0.52 C ATOM 0 H LEU A 41 3.666 -8.712 -7.570 1.00 0.34 H new ATOM 0 HA LEU A 41 4.411 -9.685 -4.960 1.00 0.38 H new ATOM 0 HB2 LEU A 41 3.868 -11.047 -7.669 1.00 0.44 H new ATOM 0 HB3 LEU A 41 3.769 -11.846 -6.113 1.00 0.44 H new ATOM 0 HG LEU A 41 2.120 -9.379 -6.844 1.00 0.48 H new ATOM 0 HD11 LEU A 41 0.235 -10.954 -7.103 1.00 0.56 H new ATOM 0 HD12 LEU A 41 1.525 -11.305 -8.278 1.00 0.56 H new ATOM 0 HD13 LEU A 41 1.338 -12.324 -6.831 1.00 0.56 H new ATOM 0 HD21 LEU A 41 0.825 -10.053 -4.839 1.00 0.52 H new ATOM 0 HD22 LEU A 41 1.933 -11.421 -4.582 1.00 0.52 H new ATOM 0 HD23 LEU A 41 2.528 -9.751 -4.422 1.00 0.52 H new ATOM 644 N GLU A 42 6.579 -10.302 -7.340 1.00 0.40 N ATOM 645 CA GLU A 42 7.993 -10.741 -7.527 1.00 0.45 C ATOM 646 C GLU A 42 8.920 -9.863 -6.690 1.00 0.41 C ATOM 647 O GLU A 42 9.878 -10.330 -6.108 1.00 0.45 O ATOM 648 CB GLU A 42 8.283 -10.562 -9.020 1.00 0.51 C ATOM 649 CG GLU A 42 9.645 -11.180 -9.351 1.00 0.68 C ATOM 650 CD GLU A 42 9.961 -10.971 -10.834 1.00 1.15 C ATOM 651 OE1 GLU A 42 9.987 -9.828 -11.259 1.00 1.75 O ATOM 652 OE2 GLU A 42 10.175 -11.958 -11.519 1.00 1.81 O ATOM 0 H GLU A 42 6.099 -10.006 -8.190 1.00 0.40 H new ATOM 0 HA GLU A 42 8.151 -11.772 -7.212 1.00 0.45 H new ATOM 0 HB2 GLU A 42 7.502 -11.037 -9.613 1.00 0.51 H new ATOM 0 HB3 GLU A 42 8.279 -9.503 -9.278 1.00 0.51 H new ATOM 0 HG2 GLU A 42 10.421 -10.724 -8.736 1.00 0.68 H new ATOM 0 HG3 GLU A 42 9.638 -12.245 -9.117 1.00 0.68 H new ATOM 659 N TYR A 43 8.640 -8.593 -6.621 1.00 0.39 N ATOM 660 CA TYR A 43 9.501 -7.689 -5.815 1.00 0.39 C ATOM 661 C TYR A 43 9.394 -8.048 -4.329 1.00 0.35 C ATOM 662 O TYR A 43 10.385 -8.182 -3.640 1.00 0.41 O ATOM 663 CB TYR A 43 8.954 -6.288 -6.078 1.00 0.42 C ATOM 664 CG TYR A 43 9.508 -5.330 -5.055 1.00 0.44 C ATOM 665 CD1 TYR A 43 8.852 -5.163 -3.832 1.00 0.67 C ATOM 666 CD2 TYR A 43 10.676 -4.610 -5.329 1.00 0.63 C ATOM 667 CE1 TYR A 43 9.362 -4.274 -2.880 1.00 0.73 C ATOM 668 CE2 TYR A 43 11.186 -3.719 -4.378 1.00 0.64 C ATOM 669 CZ TYR A 43 10.528 -3.551 -3.153 1.00 0.53 C ATOM 670 OH TYR A 43 11.030 -2.671 -2.215 1.00 0.61 O ATOM 0 H TYR A 43 7.853 -8.143 -7.088 1.00 0.39 H new ATOM 0 HA TYR A 43 10.555 -7.767 -6.082 1.00 0.39 H new ATOM 0 HB2 TYR A 43 9.227 -5.962 -7.082 1.00 0.42 H new ATOM 0 HB3 TYR A 43 7.865 -6.297 -6.031 1.00 0.42 H new ATOM 0 HD1 TYR A 43 7.951 -5.720 -3.622 1.00 0.67 H new ATOM 0 HD2 TYR A 43 11.183 -4.742 -6.273 1.00 0.63 H new ATOM 0 HE1 TYR A 43 8.856 -4.146 -1.935 1.00 0.73 H new ATOM 0 HE2 TYR A 43 12.087 -3.161 -4.589 1.00 0.64 H new ATOM 0 HH TYR A 43 11.845 -2.252 -2.563 1.00 0.61 H new ATOM 680 N ALA A 44 8.197 -8.212 -3.832 1.00 0.31 N ATOM 681 CA ALA A 44 8.029 -8.570 -2.393 1.00 0.31 C ATOM 682 C ALA A 44 8.442 -10.024 -2.162 1.00 0.35 C ATOM 683 O ALA A 44 8.941 -10.383 -1.113 1.00 0.52 O ATOM 684 CB ALA A 44 6.537 -8.394 -2.110 1.00 0.33 C ATOM 0 H ALA A 44 7.329 -8.114 -4.359 1.00 0.31 H new ATOM 0 HA ALA A 44 8.645 -7.951 -1.741 1.00 0.31 H new ATOM 0 HB1 ALA A 44 6.333 -8.639 -1.068 1.00 0.33 H new ATOM 0 HB2 ALA A 44 6.250 -7.360 -2.302 1.00 0.33 H new ATOM 0 HB3 ALA A 44 5.963 -9.057 -2.758 1.00 0.33 H new ATOM 690 N GLN A 45 8.226 -10.864 -3.135 1.00 0.29 N ATOM 691 CA GLN A 45 8.586 -12.302 -2.985 1.00 0.37 C ATOM 692 C GLN A 45 10.021 -12.467 -2.484 1.00 0.44 C ATOM 693 O GLN A 45 10.393 -13.512 -1.989 1.00 0.56 O ATOM 694 CB GLN A 45 8.451 -12.883 -4.390 1.00 0.45 C ATOM 695 CG GLN A 45 7.026 -13.387 -4.584 1.00 0.52 C ATOM 696 CD GLN A 45 6.732 -13.555 -6.075 1.00 0.86 C ATOM 697 OE1 GLN A 45 7.631 -13.759 -6.866 1.00 1.47 O ATOM 698 NE2 GLN A 45 5.497 -13.481 -6.492 1.00 1.04 N ATOM 0 H GLN A 45 7.813 -10.615 -4.034 1.00 0.29 H new ATOM 0 HA GLN A 45 7.947 -12.802 -2.257 1.00 0.37 H new ATOM 0 HB2 GLN A 45 8.686 -12.124 -5.136 1.00 0.45 H new ATOM 0 HB3 GLN A 45 9.161 -13.698 -4.530 1.00 0.45 H new ATOM 0 HG2 GLN A 45 6.894 -14.339 -4.069 1.00 0.52 H new ATOM 0 HG3 GLN A 45 6.319 -12.685 -4.142 1.00 0.52 H new ATOM 0 HE21 GLN A 45 4.743 -13.310 -5.826 1.00 1.04 H new ATOM 0 HE22 GLN A 45 5.286 -13.595 -7.483 1.00 1.04 H new ATOM 707 N THR A 46 10.833 -11.459 -2.609 1.00 0.42 N ATOM 708 CA THR A 46 12.238 -11.594 -2.139 1.00 0.54 C ATOM 709 C THR A 46 12.618 -10.415 -1.243 1.00 0.46 C ATOM 710 O THR A 46 13.779 -10.169 -0.982 1.00 0.59 O ATOM 711 CB THR A 46 13.074 -11.606 -3.421 1.00 0.71 C ATOM 712 OG1 THR A 46 13.310 -10.270 -3.844 1.00 0.72 O ATOM 713 CG2 THR A 46 12.319 -12.368 -4.517 1.00 0.81 C ATOM 0 H THR A 46 10.589 -10.554 -3.012 1.00 0.42 H new ATOM 0 HA THR A 46 12.395 -12.492 -1.542 1.00 0.54 H new ATOM 0 HB THR A 46 14.027 -12.099 -3.230 1.00 0.71 H new ATOM 0 HG1 THR A 46 13.978 -9.855 -3.259 1.00 0.72 H new ATOM 0 HG21 THR A 46 12.914 -12.377 -5.430 1.00 0.81 H new ATOM 0 HG22 THR A 46 12.140 -13.393 -4.191 1.00 0.81 H new ATOM 0 HG23 THR A 46 11.365 -11.877 -4.710 1.00 0.81 H new ATOM 721 N HIS A 47 11.649 -9.685 -0.766 1.00 0.46 N ATOM 722 CA HIS A 47 11.957 -8.524 0.115 1.00 0.46 C ATOM 723 C HIS A 47 10.793 -8.267 1.083 1.00 0.43 C ATOM 724 O HIS A 47 10.677 -7.197 1.652 1.00 0.77 O ATOM 725 CB HIS A 47 12.133 -7.343 -0.841 1.00 0.58 C ATOM 726 CG HIS A 47 13.505 -7.386 -1.457 1.00 0.78 C ATOM 727 ND1 HIS A 47 13.771 -8.078 -2.629 1.00 1.39 N ATOM 728 CD2 HIS A 47 14.697 -6.813 -1.083 1.00 1.50 C ATOM 729 CE1 HIS A 47 15.075 -7.903 -2.917 1.00 1.37 C ATOM 730 NE2 HIS A 47 15.686 -7.140 -2.007 1.00 1.45 N ATOM 0 H HIS A 47 10.658 -9.842 -0.948 1.00 0.46 H new ATOM 0 HA HIS A 47 12.844 -8.691 0.727 1.00 0.46 H new ATOM 0 HB2 HIS A 47 11.373 -7.379 -1.621 1.00 0.58 H new ATOM 0 HB3 HIS A 47 11.995 -6.405 -0.304 1.00 0.58 H new ATOM 0 HD1 HIS A 47 13.101 -8.621 -3.174 1.00 1.39 H new ATOM 0 HD2 HIS A 47 14.844 -6.201 -0.205 1.00 1.50 H new ATOM 0 HE1 HIS A 47 15.567 -8.328 -3.779 1.00 1.37 H new ATOM 738 N ARG A 48 9.923 -9.237 1.269 1.00 0.37 N ATOM 739 CA ARG A 48 8.760 -9.025 2.192 1.00 0.37 C ATOM 740 C ARG A 48 9.223 -8.259 3.422 1.00 0.48 C ATOM 741 O ARG A 48 8.693 -7.222 3.768 1.00 0.57 O ATOM 742 CB ARG A 48 8.278 -10.415 2.643 1.00 0.39 C ATOM 743 CG ARG A 48 8.546 -11.476 1.578 1.00 0.41 C ATOM 744 CD ARG A 48 7.801 -12.764 1.955 1.00 0.52 C ATOM 745 NE ARG A 48 8.190 -13.761 0.918 1.00 0.94 N ATOM 746 CZ ARG A 48 7.903 -15.025 1.085 1.00 1.31 C ATOM 747 NH1 ARG A 48 7.238 -15.410 2.138 1.00 1.85 N ATOM 748 NH2 ARG A 48 8.274 -15.902 0.192 1.00 1.87 N ATOM 0 H ARG A 48 9.968 -10.155 0.827 1.00 0.37 H new ATOM 0 HA ARG A 48 7.969 -8.467 1.690 1.00 0.37 H new ATOM 0 HB2 ARG A 48 8.782 -10.693 3.569 1.00 0.39 H new ATOM 0 HB3 ARG A 48 7.210 -10.378 2.860 1.00 0.39 H new ATOM 0 HG2 ARG A 48 8.214 -11.122 0.602 1.00 0.41 H new ATOM 0 HG3 ARG A 48 9.616 -11.669 1.500 1.00 0.41 H new ATOM 0 HD2 ARG A 48 8.082 -13.103 2.952 1.00 0.52 H new ATOM 0 HD3 ARG A 48 6.723 -12.606 1.964 1.00 0.52 H new ATOM 0 HE ARG A 48 8.681 -13.457 0.077 1.00 0.94 H new ATOM 0 HH11 ARG A 48 6.941 -14.724 2.833 1.00 1.85 H new ATOM 0 HH12 ARG A 48 7.014 -16.397 2.267 1.00 1.85 H new ATOM 0 HH21 ARG A 48 8.788 -15.601 -0.636 1.00 1.87 H new ATOM 0 HH22 ARG A 48 8.050 -16.889 0.322 1.00 1.87 H new ATOM 762 N ASP A 49 10.213 -8.777 4.082 1.00 0.54 N ATOM 763 CA ASP A 49 10.740 -8.096 5.299 1.00 0.69 C ATOM 764 C ASP A 49 11.492 -6.829 4.893 1.00 0.66 C ATOM 765 O ASP A 49 11.498 -5.840 5.598 1.00 0.80 O ATOM 766 CB ASP A 49 11.693 -9.108 5.939 1.00 0.88 C ATOM 767 CG ASP A 49 12.092 -8.627 7.337 1.00 1.46 C ATOM 768 OD1 ASP A 49 12.947 -7.761 7.424 1.00 2.26 O ATOM 769 OD2 ASP A 49 11.538 -9.137 8.298 1.00 1.94 O ATOM 0 H ASP A 49 10.685 -9.646 3.834 1.00 0.54 H new ATOM 0 HA ASP A 49 9.950 -7.796 5.988 1.00 0.69 H new ATOM 0 HB2 ASP A 49 11.213 -10.084 6.003 1.00 0.88 H new ATOM 0 HB3 ASP A 49 12.581 -9.229 5.318 1.00 0.88 H new ATOM 774 N GLN A 50 12.131 -6.860 3.757 1.00 0.61 N ATOM 775 CA GLN A 50 12.892 -5.668 3.291 1.00 0.62 C ATOM 776 C GLN A 50 11.947 -4.518 2.938 1.00 0.50 C ATOM 777 O GLN A 50 12.305 -3.362 3.046 1.00 0.52 O ATOM 778 CB GLN A 50 13.645 -6.140 2.048 1.00 0.66 C ATOM 779 CG GLN A 50 14.578 -7.289 2.428 1.00 0.78 C ATOM 780 CD GLN A 50 15.561 -6.809 3.496 1.00 1.51 C ATOM 781 OE1 GLN A 50 16.052 -5.699 3.432 1.00 1.87 O ATOM 782 NE2 GLN A 50 15.870 -7.602 4.485 1.00 2.14 N ATOM 0 H GLN A 50 12.159 -7.663 3.129 1.00 0.61 H new ATOM 0 HA GLN A 50 13.563 -5.291 4.063 1.00 0.62 H new ATOM 0 HB2 GLN A 50 12.940 -6.467 1.284 1.00 0.66 H new ATOM 0 HB3 GLN A 50 14.218 -5.317 1.622 1.00 0.66 H new ATOM 0 HG2 GLN A 50 14.000 -8.134 2.803 1.00 0.78 H new ATOM 0 HG3 GLN A 50 15.120 -7.639 1.549 1.00 0.78 H new ATOM 0 HE21 GLN A 50 15.458 -8.534 4.539 1.00 2.14 H new ATOM 0 HE22 GLN A 50 16.523 -7.290 5.204 1.00 2.14 H new ATOM 791 N ILE A 51 10.746 -4.813 2.513 1.00 0.51 N ATOM 792 CA ILE A 51 9.810 -3.708 2.158 1.00 0.42 C ATOM 793 C ILE A 51 9.349 -2.991 3.429 1.00 0.41 C ATOM 794 O ILE A 51 8.957 -3.610 4.401 1.00 0.51 O ATOM 795 CB ILE A 51 8.618 -4.361 1.448 1.00 0.44 C ATOM 796 CG1 ILE A 51 9.090 -5.250 0.288 1.00 0.51 C ATOM 797 CG2 ILE A 51 7.708 -3.267 0.888 1.00 0.39 C ATOM 798 CD1 ILE A 51 10.405 -4.720 -0.294 1.00 0.46 C ATOM 0 H ILE A 51 10.378 -5.757 2.398 1.00 0.51 H new ATOM 0 HA ILE A 51 10.288 -2.968 1.516 1.00 0.42 H new ATOM 0 HB ILE A 51 8.082 -4.977 2.170 1.00 0.44 H new ATOM 0 HG12 ILE A 51 9.227 -6.273 0.638 1.00 0.51 H new ATOM 0 HG13 ILE A 51 8.327 -5.279 -0.490 1.00 0.51 H new ATOM 0 HG21 ILE A 51 6.858 -3.725 0.382 1.00 0.39 H new ATOM 0 HG22 ILE A 51 7.349 -2.639 1.704 1.00 0.39 H new ATOM 0 HG23 ILE A 51 8.267 -2.656 0.179 1.00 0.39 H new ATOM 0 HD11 ILE A 51 10.725 -5.362 -1.115 1.00 0.46 H new ATOM 0 HD12 ILE A 51 10.257 -3.705 -0.664 1.00 0.46 H new ATOM 0 HD13 ILE A 51 11.170 -4.715 0.482 1.00 0.46 H new ATOM 810 N ASP A 52 9.401 -1.687 3.435 1.00 0.35 N ATOM 811 CA ASP A 52 8.976 -0.931 4.644 1.00 0.38 C ATOM 812 C ASP A 52 7.556 -0.376 4.469 1.00 0.38 C ATOM 813 O ASP A 52 6.929 0.043 5.423 1.00 0.56 O ATOM 814 CB ASP A 52 9.995 0.198 4.780 1.00 0.35 C ATOM 815 CG ASP A 52 11.288 -0.356 5.384 1.00 0.44 C ATOM 816 OD1 ASP A 52 11.373 -1.562 5.547 1.00 1.15 O ATOM 817 OD2 ASP A 52 12.168 0.436 5.678 1.00 1.22 O ATOM 0 H ASP A 52 9.720 -1.114 2.654 1.00 0.35 H new ATOM 0 HA ASP A 52 8.947 -1.561 5.533 1.00 0.38 H new ATOM 0 HB2 ASP A 52 10.196 0.641 3.805 1.00 0.35 H new ATOM 0 HB3 ASP A 52 9.595 0.990 5.413 1.00 0.35 H new ATOM 822 N CYS A 53 7.036 -0.372 3.267 1.00 0.24 N ATOM 823 CA CYS A 53 5.648 0.149 3.062 1.00 0.24 C ATOM 824 C CYS A 53 5.167 -0.132 1.633 1.00 0.23 C ATOM 825 O CYS A 53 5.808 0.244 0.671 1.00 0.34 O ATOM 826 CB CYS A 53 5.750 1.653 3.309 1.00 0.25 C ATOM 827 SG CYS A 53 4.400 2.170 4.398 1.00 0.49 S ATOM 0 H CYS A 53 7.507 -0.704 2.425 1.00 0.24 H new ATOM 0 HA CYS A 53 4.931 -0.329 3.729 1.00 0.24 H new ATOM 0 HB2 CYS A 53 6.711 1.895 3.762 1.00 0.25 H new ATOM 0 HB3 CYS A 53 5.698 2.193 2.364 1.00 0.25 H new ATOM 0 HG CYS A 53 3.399 1.351 4.267 1.00 0.49 H new ATOM 833 N LEU A 54 4.042 -0.789 1.480 1.00 0.16 N ATOM 834 CA LEU A 54 3.540 -1.081 0.101 1.00 0.18 C ATOM 835 C LEU A 54 2.400 -0.129 -0.277 1.00 0.15 C ATOM 836 O LEU A 54 1.504 0.119 0.506 1.00 0.18 O ATOM 837 CB LEU A 54 3.027 -2.522 0.159 1.00 0.22 C ATOM 838 CG LEU A 54 2.271 -2.844 -1.133 1.00 0.54 C ATOM 839 CD1 LEU A 54 3.265 -2.968 -2.288 1.00 1.03 C ATOM 840 CD2 LEU A 54 1.511 -4.163 -0.970 1.00 1.01 C ATOM 0 H LEU A 54 3.456 -1.132 2.241 1.00 0.16 H new ATOM 0 HA LEU A 54 4.321 -0.950 -0.648 1.00 0.18 H new ATOM 0 HB2 LEU A 54 3.861 -3.212 0.287 1.00 0.22 H new ATOM 0 HB3 LEU A 54 2.371 -2.652 1.020 1.00 0.22 H new ATOM 0 HG LEU A 54 1.563 -2.043 -1.346 1.00 0.54 H new ATOM 0 HD11 LEU A 54 2.727 -3.197 -3.208 1.00 1.03 H new ATOM 0 HD12 LEU A 54 3.803 -2.028 -2.407 1.00 1.03 H new ATOM 0 HD13 LEU A 54 3.974 -3.768 -2.074 1.00 1.03 H new ATOM 0 HD21 LEU A 54 0.974 -4.390 -1.891 1.00 1.01 H new ATOM 0 HD22 LEU A 54 2.217 -4.965 -0.755 1.00 1.01 H new ATOM 0 HD23 LEU A 54 0.801 -4.074 -0.148 1.00 1.01 H new ATOM 852 N ILE A 55 2.416 0.399 -1.477 1.00 0.13 N ATOM 853 CA ILE A 55 1.319 1.319 -1.898 1.00 0.13 C ATOM 854 C ILE A 55 0.417 0.616 -2.910 1.00 0.14 C ATOM 855 O ILE A 55 0.887 -0.017 -3.836 1.00 0.19 O ATOM 856 CB ILE A 55 2.012 2.503 -2.563 1.00 0.15 C ATOM 857 CG1 ILE A 55 3.031 3.115 -1.604 1.00 0.19 C ATOM 858 CG2 ILE A 55 0.969 3.559 -2.936 1.00 0.19 C ATOM 859 CD1 ILE A 55 4.007 3.970 -2.407 1.00 0.22 C ATOM 0 H ILE A 55 3.138 0.233 -2.178 1.00 0.13 H new ATOM 0 HA ILE A 55 0.701 1.629 -1.055 1.00 0.13 H new ATOM 0 HB ILE A 55 2.525 2.159 -3.461 1.00 0.15 H new ATOM 0 HG12 ILE A 55 2.526 3.723 -0.853 1.00 0.19 H new ATOM 0 HG13 ILE A 55 3.567 2.330 -1.071 1.00 0.19 H new ATOM 0 HG21 ILE A 55 1.463 4.406 -3.412 1.00 0.19 H new ATOM 0 HG22 ILE A 55 0.245 3.127 -3.626 1.00 0.19 H new ATOM 0 HG23 ILE A 55 0.455 3.897 -2.036 1.00 0.19 H new ATOM 0 HD11 ILE A 55 4.741 4.414 -1.734 1.00 0.22 H new ATOM 0 HD12 ILE A 55 4.518 3.347 -3.141 1.00 0.22 H new ATOM 0 HD13 ILE A 55 3.460 4.761 -2.920 1.00 0.22 H new ATOM 871 N LEU A 56 -0.871 0.715 -2.749 1.00 0.15 N ATOM 872 CA LEU A 56 -1.785 0.043 -3.714 1.00 0.16 C ATOM 873 C LEU A 56 -2.900 0.985 -4.161 1.00 0.16 C ATOM 874 O LEU A 56 -3.227 1.947 -3.496 1.00 0.21 O ATOM 875 CB LEU A 56 -2.370 -1.140 -2.949 1.00 0.18 C ATOM 876 CG LEU A 56 -1.282 -2.187 -2.726 1.00 0.19 C ATOM 877 CD1 LEU A 56 -1.836 -3.313 -1.853 1.00 0.22 C ATOM 878 CD2 LEU A 56 -0.843 -2.750 -4.081 1.00 0.18 C ATOM 0 H LEU A 56 -1.330 1.228 -1.996 1.00 0.15 H new ATOM 0 HA LEU A 56 -1.258 -0.266 -4.617 1.00 0.16 H new ATOM 0 HB2 LEU A 56 -2.771 -0.806 -1.992 1.00 0.18 H new ATOM 0 HB3 LEU A 56 -3.199 -1.574 -3.507 1.00 0.18 H new ATOM 0 HG LEU A 56 -0.426 -1.733 -2.227 1.00 0.19 H new ATOM 0 HD11 LEU A 56 -1.062 -4.063 -1.692 1.00 0.22 H new ATOM 0 HD12 LEU A 56 -2.153 -2.906 -0.893 1.00 0.22 H new ATOM 0 HD13 LEU A 56 -2.689 -3.774 -2.351 1.00 0.22 H new ATOM 0 HD21 LEU A 56 -0.066 -3.499 -3.929 1.00 0.18 H new ATOM 0 HD22 LEU A 56 -1.697 -3.209 -4.578 1.00 0.18 H new ATOM 0 HD23 LEU A 56 -0.453 -1.943 -4.701 1.00 0.18 H new ATOM 890 N VAL A 57 -3.495 0.695 -5.283 1.00 0.15 N ATOM 891 CA VAL A 57 -4.606 1.548 -5.787 1.00 0.17 C ATOM 892 C VAL A 57 -5.854 0.685 -5.975 1.00 0.20 C ATOM 893 O VAL A 57 -5.923 -0.136 -6.868 1.00 0.29 O ATOM 894 CB VAL A 57 -4.116 2.090 -7.130 1.00 0.21 C ATOM 895 CG1 VAL A 57 -5.229 2.909 -7.790 1.00 0.28 C ATOM 896 CG2 VAL A 57 -2.895 2.984 -6.905 1.00 0.31 C ATOM 0 H VAL A 57 -3.258 -0.101 -5.876 1.00 0.15 H new ATOM 0 HA VAL A 57 -4.865 2.356 -5.103 1.00 0.17 H new ATOM 0 HB VAL A 57 -3.844 1.257 -7.778 1.00 0.21 H new ATOM 0 HG11 VAL A 57 -4.878 3.295 -8.747 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -6.100 2.275 -7.952 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -5.502 3.741 -7.141 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -2.546 3.370 -7.862 1.00 0.31 H new ATOM 0 HG22 VAL A 57 -3.168 3.816 -6.256 1.00 0.31 H new ATOM 0 HG23 VAL A 57 -2.100 2.403 -6.436 1.00 0.31 H new ATOM 906 N ALA A 58 -6.836 0.855 -5.138 1.00 0.25 N ATOM 907 CA ALA A 58 -8.073 0.035 -5.268 1.00 0.32 C ATOM 908 C ALA A 58 -8.720 0.272 -6.633 1.00 0.38 C ATOM 909 O ALA A 58 -9.501 -0.528 -7.109 1.00 0.54 O ATOM 910 CB ALA A 58 -8.986 0.517 -4.145 1.00 0.40 C ATOM 0 H ALA A 58 -6.837 1.525 -4.369 1.00 0.25 H new ATOM 0 HA ALA A 58 -7.873 -1.034 -5.195 1.00 0.32 H new ATOM 0 HB1 ALA A 58 -9.922 -0.040 -4.173 1.00 0.40 H new ATOM 0 HB2 ALA A 58 -8.497 0.357 -3.184 1.00 0.40 H new ATOM 0 HB3 ALA A 58 -9.192 1.579 -4.275 1.00 0.40 H new ATOM 916 N ALA A 59 -8.399 1.365 -7.267 1.00 0.36 N ATOM 917 CA ALA A 59 -8.992 1.657 -8.602 1.00 0.44 C ATOM 918 C ALA A 59 -8.765 0.477 -9.552 1.00 0.48 C ATOM 919 O ALA A 59 -9.435 0.337 -10.555 1.00 0.59 O ATOM 920 CB ALA A 59 -8.247 2.895 -9.098 1.00 0.43 C ATOM 0 H ALA A 59 -7.750 2.070 -6.918 1.00 0.36 H new ATOM 0 HA ALA A 59 -10.069 1.819 -8.551 1.00 0.44 H new ATOM 0 HB1 ALA A 59 -8.625 3.178 -10.080 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -8.402 3.717 -8.399 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -7.182 2.675 -9.169 1.00 0.43 H new ATOM 926 N ASN A 60 -7.822 -0.369 -9.244 1.00 0.45 N ATOM 927 CA ASN A 60 -7.547 -1.539 -10.128 1.00 0.55 C ATOM 928 C ASN A 60 -8.634 -2.608 -9.955 1.00 0.64 C ATOM 929 O ASN A 60 -9.260 -2.695 -8.917 1.00 0.67 O ATOM 930 CB ASN A 60 -6.187 -2.060 -9.665 1.00 0.50 C ATOM 931 CG ASN A 60 -5.078 -1.373 -10.466 1.00 0.63 C ATOM 932 OD1 ASN A 60 -5.148 -0.190 -10.735 1.00 1.22 O ATOM 933 ND2 ASN A 60 -4.048 -2.071 -10.861 1.00 1.28 N ATOM 0 H ASN A 60 -7.228 -0.302 -8.417 1.00 0.45 H new ATOM 0 HA ASN A 60 -7.544 -1.273 -11.185 1.00 0.55 H new ATOM 0 HB2 ASN A 60 -6.055 -1.867 -8.600 1.00 0.50 H new ATOM 0 HB3 ASN A 60 -6.134 -3.140 -9.802 1.00 0.50 H new ATOM 0 HD21 ASN A 60 -3.303 -1.623 -11.395 1.00 1.28 H new ATOM 0 HD22 ASN A 60 -3.988 -3.064 -10.636 1.00 1.28 H new ATOM 940 N PRO A 61 -8.828 -3.380 -10.992 1.00 0.73 N ATOM 941 CA PRO A 61 -9.859 -4.448 -10.972 1.00 0.84 C ATOM 942 C PRO A 61 -9.403 -5.655 -10.145 1.00 0.78 C ATOM 943 O PRO A 61 -9.895 -5.898 -9.060 1.00 1.22 O ATOM 944 CB PRO A 61 -10.014 -4.824 -12.443 1.00 1.00 C ATOM 945 CG PRO A 61 -8.720 -4.439 -13.090 1.00 0.98 C ATOM 946 CD PRO A 61 -8.111 -3.327 -12.272 1.00 0.82 C ATOM 0 HA PRO A 61 -10.791 -4.119 -10.514 1.00 0.84 H new ATOM 0 HB2 PRO A 61 -10.209 -5.890 -12.558 1.00 1.00 H new ATOM 0 HB3 PRO A 61 -10.853 -4.296 -12.897 1.00 1.00 H new ATOM 0 HG2 PRO A 61 -8.046 -5.294 -13.135 1.00 0.98 H new ATOM 0 HG3 PRO A 61 -8.888 -4.111 -14.116 1.00 0.98 H new ATOM 0 HD2 PRO A 61 -7.040 -3.476 -12.134 1.00 0.82 H new ATOM 0 HD3 PRO A 61 -8.238 -2.360 -12.759 1.00 0.82 H new ATOM 954 N SER A 62 -8.482 -6.422 -10.656 1.00 0.40 N ATOM 955 CA SER A 62 -8.009 -7.625 -9.908 1.00 0.37 C ATOM 956 C SER A 62 -7.056 -7.225 -8.781 1.00 0.31 C ATOM 957 O SER A 62 -6.477 -8.065 -8.120 1.00 0.38 O ATOM 958 CB SER A 62 -7.279 -8.477 -10.943 1.00 0.47 C ATOM 959 OG SER A 62 -6.056 -7.842 -11.295 1.00 0.92 O ATOM 0 H SER A 62 -8.034 -6.270 -11.560 1.00 0.40 H new ATOM 0 HA SER A 62 -8.836 -8.161 -9.442 1.00 0.37 H new ATOM 0 HB2 SER A 62 -7.084 -9.471 -10.540 1.00 0.47 H new ATOM 0 HB3 SER A 62 -7.902 -8.608 -11.828 1.00 0.47 H new ATOM 0 HG SER A 62 -5.583 -8.387 -11.958 1.00 0.92 H new ATOM 965 N PHE A 63 -6.885 -5.954 -8.551 1.00 0.27 N ATOM 966 CA PHE A 63 -5.965 -5.515 -7.464 1.00 0.26 C ATOM 967 C PHE A 63 -6.210 -6.345 -6.200 1.00 0.25 C ATOM 968 O PHE A 63 -5.282 -6.818 -5.573 1.00 0.27 O ATOM 969 CB PHE A 63 -6.306 -4.039 -7.246 1.00 0.28 C ATOM 970 CG PHE A 63 -6.094 -3.658 -5.801 1.00 0.27 C ATOM 971 CD1 PHE A 63 -4.815 -3.712 -5.234 1.00 0.40 C ATOM 972 CD2 PHE A 63 -7.185 -3.245 -5.028 1.00 0.34 C ATOM 973 CE1 PHE A 63 -4.631 -3.351 -3.894 1.00 0.43 C ATOM 974 CE2 PHE A 63 -7.002 -2.884 -3.690 1.00 0.37 C ATOM 975 CZ PHE A 63 -5.724 -2.938 -3.121 1.00 0.34 C ATOM 0 H PHE A 63 -7.341 -5.201 -9.067 1.00 0.27 H new ATOM 0 HA PHE A 63 -4.913 -5.650 -7.715 1.00 0.26 H new ATOM 0 HB2 PHE A 63 -5.683 -3.417 -7.888 1.00 0.28 H new ATOM 0 HB3 PHE A 63 -7.342 -3.853 -7.530 1.00 0.28 H new ATOM 0 HD1 PHE A 63 -3.972 -4.031 -5.829 1.00 0.40 H new ATOM 0 HD2 PHE A 63 -8.171 -3.205 -5.466 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -3.645 -3.391 -3.455 1.00 0.43 H new ATOM 0 HE2 PHE A 63 -7.845 -2.564 -3.096 1.00 0.37 H new ATOM 0 HZ PHE A 63 -5.581 -2.661 -2.087 1.00 0.34 H new ATOM 985 N ARG A 64 -7.443 -6.552 -5.831 1.00 0.25 N ATOM 986 CA ARG A 64 -7.712 -7.379 -4.621 1.00 0.29 C ATOM 987 C ARG A 64 -7.038 -8.739 -4.783 1.00 0.27 C ATOM 988 O ARG A 64 -6.460 -9.275 -3.859 1.00 0.31 O ATOM 989 CB ARG A 64 -9.231 -7.539 -4.571 1.00 0.37 C ATOM 990 CG ARG A 64 -9.830 -6.427 -3.715 1.00 0.74 C ATOM 991 CD ARG A 64 -9.902 -5.142 -4.539 1.00 0.67 C ATOM 992 NE ARG A 64 -11.161 -5.260 -5.326 1.00 1.14 N ATOM 993 CZ ARG A 64 -11.656 -4.211 -5.925 1.00 1.42 C ATOM 994 NH1 ARG A 64 -11.055 -3.057 -5.824 1.00 2.08 N ATOM 995 NH2 ARG A 64 -12.754 -4.316 -6.623 1.00 1.78 N ATOM 0 H ARG A 64 -8.268 -6.189 -6.308 1.00 0.25 H new ATOM 0 HA ARG A 64 -7.328 -6.924 -3.708 1.00 0.29 H new ATOM 0 HB2 ARG A 64 -9.645 -7.500 -5.579 1.00 0.37 H new ATOM 0 HB3 ARG A 64 -9.492 -8.513 -4.156 1.00 0.37 H new ATOM 0 HG2 ARG A 64 -10.826 -6.711 -3.374 1.00 0.74 H new ATOM 0 HG3 ARG A 64 -9.221 -6.269 -2.825 1.00 0.74 H new ATOM 0 HD2 ARG A 64 -9.919 -4.262 -3.897 1.00 0.67 H new ATOM 0 HD3 ARG A 64 -9.035 -5.043 -5.193 1.00 0.67 H new ATOM 0 HE ARG A 64 -11.636 -6.160 -5.397 1.00 1.14 H new ATOM 0 HH11 ARG A 64 -10.198 -2.974 -5.277 1.00 2.08 H new ATOM 0 HH12 ARG A 64 -11.442 -2.238 -6.292 1.00 2.08 H new ATOM 0 HH21 ARG A 64 -13.225 -5.217 -6.700 1.00 1.78 H new ATOM 0 HH22 ARG A 64 -13.141 -3.497 -7.091 1.00 1.78 H new ATOM 1009 N ALA A 65 -7.097 -9.290 -5.962 1.00 0.26 N ATOM 1010 CA ALA A 65 -6.447 -10.608 -6.200 1.00 0.28 C ATOM 1011 C ALA A 65 -4.939 -10.484 -5.984 1.00 0.26 C ATOM 1012 O ALA A 65 -4.319 -11.320 -5.357 1.00 0.27 O ATOM 1013 CB ALA A 65 -6.756 -10.952 -7.658 1.00 0.33 C ATOM 0 H ALA A 65 -7.567 -8.885 -6.771 1.00 0.26 H new ATOM 0 HA ALA A 65 -6.809 -11.380 -5.521 1.00 0.28 H new ATOM 0 HB1 ALA A 65 -6.308 -11.914 -7.908 1.00 0.33 H new ATOM 0 HB2 ALA A 65 -7.836 -11.008 -7.798 1.00 0.33 H new ATOM 0 HB3 ALA A 65 -6.345 -10.180 -8.309 1.00 0.33 H new ATOM 1019 N VAL A 66 -4.344 -9.438 -6.491 1.00 0.26 N ATOM 1020 CA VAL A 66 -2.878 -9.258 -6.303 1.00 0.26 C ATOM 1021 C VAL A 66 -2.560 -9.120 -4.812 1.00 0.25 C ATOM 1022 O VAL A 66 -1.641 -9.735 -4.303 1.00 0.25 O ATOM 1023 CB VAL A 66 -2.540 -7.974 -7.064 1.00 0.28 C ATOM 1024 CG1 VAL A 66 -1.127 -7.507 -6.696 1.00 0.25 C ATOM 1025 CG2 VAL A 66 -2.605 -8.251 -8.567 1.00 0.37 C ATOM 0 H VAL A 66 -4.809 -8.704 -7.025 1.00 0.26 H new ATOM 0 HA VAL A 66 -2.296 -10.104 -6.670 1.00 0.26 H new ATOM 0 HB VAL A 66 -3.256 -7.196 -6.797 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -0.893 -6.593 -7.241 1.00 0.25 H new ATOM 0 HG12 VAL A 66 -1.075 -7.314 -5.624 1.00 0.25 H new ATOM 0 HG13 VAL A 66 -0.407 -8.282 -6.960 1.00 0.25 H new ATOM 0 HG21 VAL A 66 -2.365 -7.340 -9.116 1.00 0.37 H new ATOM 0 HG22 VAL A 66 -1.887 -9.030 -8.825 1.00 0.37 H new ATOM 0 HG23 VAL A 66 -3.609 -8.581 -8.833 1.00 0.37 H new ATOM 1035 N VAL A 67 -3.319 -8.328 -4.099 1.00 0.27 N ATOM 1036 CA VAL A 67 -3.054 -8.176 -2.642 1.00 0.27 C ATOM 1037 C VAL A 67 -3.181 -9.536 -1.953 1.00 0.27 C ATOM 1038 O VAL A 67 -2.406 -9.872 -1.080 1.00 0.28 O ATOM 1039 CB VAL A 67 -4.119 -7.209 -2.120 1.00 0.31 C ATOM 1040 CG1 VAL A 67 -3.747 -6.766 -0.703 1.00 0.45 C ATOM 1041 CG2 VAL A 67 -4.196 -5.981 -3.029 1.00 0.30 C ATOM 0 H VAL A 67 -4.103 -7.786 -4.461 1.00 0.27 H new ATOM 0 HA VAL A 67 -2.050 -7.799 -2.446 1.00 0.27 H new ATOM 0 HB VAL A 67 -5.087 -7.710 -2.110 1.00 0.31 H new ATOM 0 HG11 VAL A 67 -4.503 -6.077 -0.327 1.00 0.45 H new ATOM 0 HG12 VAL A 67 -3.695 -7.638 -0.051 1.00 0.45 H new ATOM 0 HG13 VAL A 67 -2.778 -6.267 -0.720 1.00 0.45 H new ATOM 0 HG21 VAL A 67 -4.956 -5.296 -2.652 1.00 0.30 H new ATOM 0 HG22 VAL A 67 -3.229 -5.478 -3.043 1.00 0.30 H new ATOM 0 HG23 VAL A 67 -4.458 -6.293 -4.040 1.00 0.30 H new ATOM 1051 N GLN A 68 -4.151 -10.326 -2.340 1.00 0.31 N ATOM 1052 CA GLN A 68 -4.308 -11.660 -1.704 1.00 0.34 C ATOM 1053 C GLN A 68 -3.039 -12.479 -1.942 1.00 0.29 C ATOM 1054 O GLN A 68 -2.586 -13.208 -1.080 1.00 0.30 O ATOM 1055 CB GLN A 68 -5.540 -12.290 -2.375 1.00 0.45 C ATOM 1056 CG GLN A 68 -5.126 -13.364 -3.389 1.00 1.20 C ATOM 1057 CD GLN A 68 -6.372 -13.870 -4.128 1.00 1.47 C ATOM 1058 OE1 GLN A 68 -7.261 -13.102 -4.444 1.00 1.97 O ATOM 1059 NE2 GLN A 68 -6.477 -15.139 -4.420 1.00 1.88 N ATOM 0 H GLN A 68 -4.834 -10.103 -3.064 1.00 0.31 H new ATOM 0 HA GLN A 68 -4.450 -11.610 -0.625 1.00 0.34 H new ATOM 0 HB2 GLN A 68 -6.186 -12.731 -1.616 1.00 0.45 H new ATOM 0 HB3 GLN A 68 -6.121 -11.516 -2.877 1.00 0.45 H new ATOM 0 HG2 GLN A 68 -4.409 -12.953 -4.100 1.00 1.20 H new ATOM 0 HG3 GLN A 68 -4.631 -14.190 -2.879 1.00 1.20 H new ATOM 0 HE21 GLN A 68 -5.734 -15.786 -4.157 1.00 1.88 H new ATOM 0 HE22 GLN A 68 -7.302 -15.483 -4.911 1.00 1.88 H new ATOM 1068 N GLN A 69 -2.437 -12.340 -3.094 1.00 0.30 N ATOM 1069 CA GLN A 69 -1.181 -13.093 -3.362 1.00 0.33 C ATOM 1070 C GLN A 69 -0.124 -12.700 -2.325 1.00 0.29 C ATOM 1071 O GLN A 69 0.552 -13.543 -1.770 1.00 0.36 O ATOM 1072 CB GLN A 69 -0.747 -12.679 -4.769 1.00 0.40 C ATOM 1073 CG GLN A 69 0.240 -13.710 -5.323 1.00 0.61 C ATOM 1074 CD GLN A 69 -0.497 -15.018 -5.621 1.00 0.98 C ATOM 1075 OE1 GLN A 69 -1.394 -15.051 -6.440 1.00 1.76 O ATOM 1076 NE2 GLN A 69 -0.152 -16.107 -4.990 1.00 1.45 N ATOM 0 H GLN A 69 -2.759 -11.742 -3.855 1.00 0.30 H new ATOM 0 HA GLN A 69 -1.317 -14.172 -3.296 1.00 0.33 H new ATOM 0 HB2 GLN A 69 -1.616 -12.605 -5.422 1.00 0.40 H new ATOM 0 HB3 GLN A 69 -0.283 -11.693 -4.743 1.00 0.40 H new ATOM 0 HG2 GLN A 69 0.708 -13.329 -6.231 1.00 0.61 H new ATOM 0 HG3 GLN A 69 1.039 -13.887 -4.603 1.00 0.61 H new ATOM 0 HE21 GLN A 69 0.601 -16.081 -4.302 1.00 1.45 H new ATOM 0 HE22 GLN A 69 -0.635 -16.984 -5.185 1.00 1.45 H new ATOM 1085 N LEU A 70 0.008 -11.430 -2.035 1.00 0.24 N ATOM 1086 CA LEU A 70 1.008 -11.019 -1.006 1.00 0.25 C ATOM 1087 C LEU A 70 0.682 -11.737 0.303 1.00 0.28 C ATOM 1088 O LEU A 70 1.522 -12.376 0.905 1.00 0.36 O ATOM 1089 CB LEU A 70 0.835 -9.507 -0.847 1.00 0.22 C ATOM 1090 CG LEU A 70 1.750 -8.780 -1.835 1.00 0.21 C ATOM 1091 CD1 LEU A 70 0.950 -7.713 -2.579 1.00 0.22 C ATOM 1092 CD2 LEU A 70 2.896 -8.107 -1.076 1.00 0.23 C ATOM 0 H LEU A 70 -0.525 -10.671 -2.459 1.00 0.24 H new ATOM 0 HA LEU A 70 2.032 -11.269 -1.285 1.00 0.25 H new ATOM 0 HB2 LEU A 70 -0.204 -9.229 -1.025 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.074 -9.209 0.174 1.00 0.22 H new ATOM 0 HG LEU A 70 2.155 -9.500 -2.546 1.00 0.21 H new ATOM 0 HD11 LEU A 70 1.601 -7.195 -3.283 1.00 0.22 H new ATOM 0 HD12 LEU A 70 0.131 -8.185 -3.122 1.00 0.22 H new ATOM 0 HD13 LEU A 70 0.546 -6.997 -1.864 1.00 0.22 H new ATOM 0 HD21 LEU A 70 3.546 -7.590 -1.782 1.00 0.23 H new ATOM 0 HD22 LEU A 70 2.489 -7.389 -0.365 1.00 0.23 H new ATOM 0 HD23 LEU A 70 3.471 -8.862 -0.540 1.00 0.23 H new ATOM 1104 N CYS A 71 -0.550 -11.655 0.728 1.00 0.26 N ATOM 1105 CA CYS A 71 -0.962 -12.349 1.980 1.00 0.31 C ATOM 1106 C CYS A 71 -0.761 -13.858 1.817 1.00 0.35 C ATOM 1107 O CYS A 71 -0.324 -14.542 2.722 1.00 0.41 O ATOM 1108 CB CYS A 71 -2.449 -12.022 2.126 1.00 0.34 C ATOM 1109 SG CYS A 71 -2.645 -10.275 2.556 1.00 0.35 S ATOM 0 H CYS A 71 -1.291 -11.135 0.259 1.00 0.26 H new ATOM 0 HA CYS A 71 -0.385 -12.036 2.850 1.00 0.31 H new ATOM 0 HB2 CYS A 71 -2.973 -12.239 1.195 1.00 0.34 H new ATOM 0 HB3 CYS A 71 -2.896 -12.649 2.897 1.00 0.34 H new ATOM 0 HG CYS A 71 -2.060 -9.539 1.659 1.00 0.35 H new ATOM 1115 N PHE A 72 -1.077 -14.372 0.660 1.00 0.34 N ATOM 1116 CA PHE A 72 -0.911 -15.833 0.406 1.00 0.39 C ATOM 1117 C PHE A 72 0.556 -16.236 0.577 1.00 0.41 C ATOM 1118 O PHE A 72 0.874 -17.189 1.261 1.00 0.49 O ATOM 1119 CB PHE A 72 -1.358 -16.016 -1.045 1.00 0.40 C ATOM 1120 CG PHE A 72 -1.282 -17.473 -1.431 1.00 0.46 C ATOM 1121 CD1 PHE A 72 -0.070 -18.021 -1.870 1.00 0.71 C ATOM 1122 CD2 PHE A 72 -2.428 -18.275 -1.360 1.00 0.80 C ATOM 1123 CE1 PHE A 72 -0.006 -19.371 -2.237 1.00 0.83 C ATOM 1124 CE2 PHE A 72 -2.362 -19.624 -1.725 1.00 0.90 C ATOM 1125 CZ PHE A 72 -1.151 -20.172 -2.165 1.00 0.75 C ATOM 0 H PHE A 72 -1.446 -13.839 -0.127 1.00 0.34 H new ATOM 0 HA PHE A 72 -1.485 -16.450 1.097 1.00 0.39 H new ATOM 0 HB2 PHE A 72 -2.378 -15.652 -1.168 1.00 0.40 H new ATOM 0 HB3 PHE A 72 -0.726 -15.423 -1.706 1.00 0.40 H new ATOM 0 HD1 PHE A 72 0.814 -17.403 -1.925 1.00 0.71 H new ATOM 0 HD2 PHE A 72 -3.363 -17.852 -1.023 1.00 0.80 H new ATOM 0 HE1 PHE A 72 0.928 -19.794 -2.576 1.00 0.83 H new ATOM 0 HE2 PHE A 72 -3.245 -20.243 -1.667 1.00 0.90 H new ATOM 0 HZ PHE A 72 -1.101 -21.213 -2.449 1.00 0.75 H new ATOM 1135 N GLU A 73 1.452 -15.512 -0.038 1.00 0.39 N ATOM 1136 CA GLU A 73 2.899 -15.847 0.091 1.00 0.44 C ATOM 1137 C GLU A 73 3.372 -15.542 1.511 1.00 0.43 C ATOM 1138 O GLU A 73 4.445 -15.939 1.920 1.00 0.56 O ATOM 1139 CB GLU A 73 3.611 -14.936 -0.910 1.00 0.46 C ATOM 1140 CG GLU A 73 3.053 -15.180 -2.312 1.00 0.52 C ATOM 1141 CD GLU A 73 3.814 -14.321 -3.324 1.00 1.00 C ATOM 1142 OE1 GLU A 73 4.996 -14.102 -3.115 1.00 1.70 O ATOM 1143 OE2 GLU A 73 3.202 -13.896 -4.290 1.00 1.67 O ATOM 0 H GLU A 73 1.244 -14.703 -0.624 1.00 0.39 H new ATOM 0 HA GLU A 73 3.101 -16.900 -0.104 1.00 0.44 H new ATOM 0 HB2 GLU A 73 3.473 -13.892 -0.629 1.00 0.46 H new ATOM 0 HB3 GLU A 73 4.683 -15.131 -0.895 1.00 0.46 H new ATOM 0 HG2 GLU A 73 3.145 -16.234 -2.573 1.00 0.52 H new ATOM 0 HG3 GLU A 73 1.991 -14.937 -2.339 1.00 0.52 H new ATOM 1150 N GLY A 74 2.581 -14.825 2.258 1.00 0.37 N ATOM 1151 CA GLY A 74 2.983 -14.476 3.647 1.00 0.39 C ATOM 1152 C GLY A 74 3.643 -13.098 3.642 1.00 0.35 C ATOM 1153 O GLY A 74 4.174 -12.649 4.637 1.00 0.43 O ATOM 0 H GLY A 74 1.672 -14.465 1.966 1.00 0.37 H new ATOM 0 HA2 GLY A 74 2.112 -14.474 4.302 1.00 0.39 H new ATOM 0 HA3 GLY A 74 3.674 -15.223 4.038 1.00 0.39 H new ATOM 1157 N VAL A 75 3.613 -12.423 2.523 1.00 0.29 N ATOM 1158 CA VAL A 75 4.238 -11.072 2.455 1.00 0.27 C ATOM 1159 C VAL A 75 3.310 -10.037 3.096 1.00 0.25 C ATOM 1160 O VAL A 75 2.361 -9.581 2.490 1.00 0.30 O ATOM 1161 CB VAL A 75 4.406 -10.794 0.960 1.00 0.28 C ATOM 1162 CG1 VAL A 75 5.220 -9.514 0.761 1.00 0.27 C ATOM 1163 CG2 VAL A 75 5.137 -11.968 0.303 1.00 0.36 C ATOM 0 H VAL A 75 3.184 -12.748 1.657 1.00 0.29 H new ATOM 0 HA VAL A 75 5.188 -11.021 2.987 1.00 0.27 H new ATOM 0 HB VAL A 75 3.424 -10.672 0.504 1.00 0.28 H new ATOM 0 HG11 VAL A 75 5.337 -9.320 -0.305 1.00 0.27 H new ATOM 0 HG12 VAL A 75 4.701 -8.677 1.228 1.00 0.27 H new ATOM 0 HG13 VAL A 75 6.202 -9.633 1.218 1.00 0.27 H new ATOM 0 HG21 VAL A 75 5.257 -11.771 -0.762 1.00 0.36 H new ATOM 0 HG22 VAL A 75 6.118 -12.089 0.763 1.00 0.36 H new ATOM 0 HG23 VAL A 75 4.557 -12.881 0.440 1.00 0.36 H new ATOM 1173 N VAL A 76 3.577 -9.660 4.317 1.00 0.23 N ATOM 1174 CA VAL A 76 2.710 -8.652 4.992 1.00 0.22 C ATOM 1175 C VAL A 76 3.521 -7.385 5.279 1.00 0.21 C ATOM 1176 O VAL A 76 4.588 -7.438 5.857 1.00 0.27 O ATOM 1177 CB VAL A 76 2.259 -9.320 6.292 1.00 0.25 C ATOM 1178 CG1 VAL A 76 1.061 -8.561 6.868 1.00 0.26 C ATOM 1179 CG2 VAL A 76 1.853 -10.769 6.005 1.00 0.29 C ATOM 0 H VAL A 76 4.357 -10.006 4.876 1.00 0.23 H new ATOM 0 HA VAL A 76 1.858 -8.354 4.381 1.00 0.22 H new ATOM 0 HB VAL A 76 3.078 -9.306 7.011 1.00 0.25 H new ATOM 0 HG11 VAL A 76 0.740 -9.037 7.794 1.00 0.26 H new ATOM 0 HG12 VAL A 76 1.347 -7.529 7.071 1.00 0.26 H new ATOM 0 HG13 VAL A 76 0.241 -8.575 6.149 1.00 0.26 H new ATOM 0 HG21 VAL A 76 1.531 -11.247 6.930 1.00 0.29 H new ATOM 0 HG22 VAL A 76 1.034 -10.782 5.286 1.00 0.29 H new ATOM 0 HG23 VAL A 76 2.705 -11.311 5.594 1.00 0.29 H new ATOM 1189 N VAL A 77 3.028 -6.250 4.870 1.00 0.21 N ATOM 1190 CA VAL A 77 3.777 -4.981 5.107 1.00 0.22 C ATOM 1191 C VAL A 77 2.803 -3.837 5.365 1.00 0.20 C ATOM 1192 O VAL A 77 1.644 -3.922 5.009 1.00 0.18 O ATOM 1193 CB VAL A 77 4.514 -4.718 3.798 1.00 0.22 C ATOM 1194 CG1 VAL A 77 5.687 -5.684 3.658 1.00 0.29 C ATOM 1195 CG2 VAL A 77 3.539 -4.916 2.631 1.00 0.22 C ATOM 0 H VAL A 77 2.139 -6.144 4.382 1.00 0.21 H new ATOM 0 HA VAL A 77 4.443 -5.055 5.966 1.00 0.22 H new ATOM 0 HB VAL A 77 4.897 -3.697 3.792 1.00 0.22 H new ATOM 0 HG11 VAL A 77 6.208 -5.490 2.721 1.00 0.29 H new ATOM 0 HG12 VAL A 77 6.375 -5.544 4.492 1.00 0.29 H new ATOM 0 HG13 VAL A 77 5.317 -6.709 3.662 1.00 0.29 H new ATOM 0 HG21 VAL A 77 4.056 -4.730 1.690 1.00 0.22 H new ATOM 0 HG22 VAL A 77 3.161 -5.938 2.642 1.00 0.22 H new ATOM 0 HG23 VAL A 77 2.706 -4.220 2.731 1.00 0.22 H new ATOM 1205 N PRO A 78 3.311 -2.780 5.932 1.00 0.22 N ATOM 1206 CA PRO A 78 2.464 -1.595 6.182 1.00 0.23 C ATOM 1207 C PRO A 78 2.024 -1.047 4.831 1.00 0.19 C ATOM 1208 O PRO A 78 2.694 -0.236 4.220 1.00 0.21 O ATOM 1209 CB PRO A 78 3.395 -0.638 6.920 1.00 0.29 C ATOM 1210 CG PRO A 78 4.766 -1.078 6.528 1.00 0.29 C ATOM 1211 CD PRO A 78 4.691 -2.574 6.373 1.00 0.27 C ATOM 0 HA PRO A 78 1.560 -1.782 6.761 1.00 0.23 H new ATOM 0 HB2 PRO A 78 3.212 0.397 6.631 1.00 0.29 H new ATOM 0 HB3 PRO A 78 3.252 -0.697 7.999 1.00 0.29 H new ATOM 0 HG2 PRO A 78 5.077 -0.604 5.597 1.00 0.29 H new ATOM 0 HG3 PRO A 78 5.497 -0.800 7.287 1.00 0.29 H new ATOM 0 HD2 PRO A 78 5.410 -2.942 5.641 1.00 0.27 H new ATOM 0 HD3 PRO A 78 4.898 -3.090 7.311 1.00 0.27 H new ATOM 1219 N ALA A 79 0.926 -1.536 4.339 1.00 0.17 N ATOM 1220 CA ALA A 79 0.446 -1.113 2.999 1.00 0.16 C ATOM 1221 C ALA A 79 -0.612 -0.010 3.088 1.00 0.17 C ATOM 1222 O ALA A 79 -1.567 -0.104 3.833 1.00 0.26 O ATOM 1223 CB ALA A 79 -0.162 -2.388 2.420 1.00 0.17 C ATOM 0 H ALA A 79 0.334 -2.218 4.813 1.00 0.17 H new ATOM 0 HA ALA A 79 1.248 -0.695 2.391 1.00 0.16 H new ATOM 0 HB1 ALA A 79 -0.550 -2.185 1.422 1.00 0.17 H new ATOM 0 HB2 ALA A 79 0.603 -3.162 2.361 1.00 0.17 H new ATOM 0 HB3 ALA A 79 -0.974 -2.729 3.063 1.00 0.17 H new ATOM 1229 N ILE A 80 -0.456 1.022 2.304 1.00 0.15 N ATOM 1230 CA ILE A 80 -1.457 2.126 2.300 1.00 0.16 C ATOM 1231 C ILE A 80 -2.362 1.957 1.072 1.00 0.17 C ATOM 1232 O ILE A 80 -1.888 1.759 -0.029 1.00 0.23 O ATOM 1233 CB ILE A 80 -0.621 3.405 2.202 1.00 0.17 C ATOM 1234 CG1 ILE A 80 0.402 3.430 3.345 1.00 0.16 C ATOM 1235 CG2 ILE A 80 -1.537 4.626 2.311 1.00 0.21 C ATOM 1236 CD1 ILE A 80 1.536 4.403 3.004 1.00 0.19 C ATOM 0 H ILE A 80 0.327 1.148 1.662 1.00 0.15 H new ATOM 0 HA ILE A 80 -2.099 2.142 3.181 1.00 0.16 H new ATOM 0 HB ILE A 80 -0.101 3.428 1.244 1.00 0.17 H new ATOM 0 HG12 ILE A 80 -0.083 3.733 4.273 1.00 0.16 H new ATOM 0 HG13 ILE A 80 0.805 2.430 3.507 1.00 0.16 H new ATOM 0 HG21 ILE A 80 -0.941 5.536 2.241 1.00 0.21 H new ATOM 0 HG22 ILE A 80 -2.266 4.607 1.501 1.00 0.21 H new ATOM 0 HG23 ILE A 80 -2.057 4.606 3.269 1.00 0.21 H new ATOM 0 HD11 ILE A 80 2.260 4.418 3.819 1.00 0.19 H new ATOM 0 HD12 ILE A 80 2.028 4.081 2.086 1.00 0.19 H new ATOM 0 HD13 ILE A 80 1.127 5.404 2.864 1.00 0.19 H new ATOM 1248 N VAL A 81 -3.658 1.998 1.245 1.00 0.18 N ATOM 1249 CA VAL A 81 -4.566 1.799 0.074 1.00 0.19 C ATOM 1250 C VAL A 81 -5.191 3.122 -0.389 1.00 0.19 C ATOM 1251 O VAL A 81 -5.567 3.961 0.406 1.00 0.25 O ATOM 1252 CB VAL A 81 -5.647 0.835 0.570 1.00 0.21 C ATOM 1253 CG1 VAL A 81 -6.618 0.526 -0.571 1.00 0.26 C ATOM 1254 CG2 VAL A 81 -4.989 -0.466 1.042 1.00 0.28 C ATOM 0 H VAL A 81 -4.124 2.159 2.138 1.00 0.18 H new ATOM 0 HA VAL A 81 -4.025 1.408 -0.788 1.00 0.19 H new ATOM 0 HB VAL A 81 -6.190 1.292 1.397 1.00 0.21 H new ATOM 0 HG11 VAL A 81 -7.388 -0.160 -0.218 1.00 0.26 H new ATOM 0 HG12 VAL A 81 -7.085 1.450 -0.912 1.00 0.26 H new ATOM 0 HG13 VAL A 81 -6.074 0.068 -1.397 1.00 0.26 H new ATOM 0 HG21 VAL A 81 -5.756 -1.154 1.396 1.00 0.28 H new ATOM 0 HG22 VAL A 81 -4.447 -0.921 0.213 1.00 0.28 H new ATOM 0 HG23 VAL A 81 -4.294 -0.249 1.853 1.00 0.28 H new ATOM 1264 N VAL A 82 -5.306 3.298 -1.682 1.00 0.19 N ATOM 1265 CA VAL A 82 -5.909 4.548 -2.235 1.00 0.21 C ATOM 1266 C VAL A 82 -7.248 4.223 -2.903 1.00 0.27 C ATOM 1267 O VAL A 82 -7.571 3.076 -3.142 1.00 0.34 O ATOM 1268 CB VAL A 82 -4.915 5.047 -3.288 1.00 0.23 C ATOM 1269 CG1 VAL A 82 -5.147 6.537 -3.551 1.00 0.31 C ATOM 1270 CG2 VAL A 82 -3.483 4.835 -2.794 1.00 0.22 C ATOM 0 H VAL A 82 -5.005 2.622 -2.384 1.00 0.19 H new ATOM 0 HA VAL A 82 -6.092 5.292 -1.460 1.00 0.21 H new ATOM 0 HB VAL A 82 -5.064 4.487 -4.211 1.00 0.23 H new ATOM 0 HG11 VAL A 82 -4.438 6.889 -4.301 1.00 0.31 H new ATOM 0 HG12 VAL A 82 -6.164 6.688 -3.914 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -5.005 7.096 -2.626 1.00 0.31 H new ATOM 0 HG21 VAL A 82 -2.781 5.192 -3.548 1.00 0.22 H new ATOM 0 HG22 VAL A 82 -3.332 5.388 -1.867 1.00 0.22 H new ATOM 0 HG23 VAL A 82 -3.313 3.773 -2.615 1.00 0.22 H new ATOM 1280 N GLY A 83 -8.029 5.221 -3.215 1.00 0.39 N ATOM 1281 CA GLY A 83 -9.339 4.958 -3.875 1.00 0.49 C ATOM 1282 C GLY A 83 -10.337 4.435 -2.842 1.00 0.61 C ATOM 1283 O GLY A 83 -11.116 3.544 -3.114 1.00 1.31 O ATOM 0 H GLY A 83 -7.818 6.204 -3.042 1.00 0.39 H new ATOM 0 HA2 GLY A 83 -9.718 5.872 -4.331 1.00 0.49 H new ATOM 0 HA3 GLY A 83 -9.214 4.230 -4.676 1.00 0.49 H new ATOM 1287 N ASP A 84 -10.318 4.981 -1.659 1.00 0.96 N ATOM 1288 CA ASP A 84 -11.265 4.517 -0.606 1.00 1.12 C ATOM 1289 C ASP A 84 -12.258 5.631 -0.267 1.00 1.43 C ATOM 1290 O ASP A 84 -11.921 6.799 -0.282 1.00 1.88 O ATOM 1291 CB ASP A 84 -10.383 4.192 0.600 1.00 1.41 C ATOM 1292 CG ASP A 84 -9.655 5.458 1.057 1.00 1.76 C ATOM 1293 OD1 ASP A 84 -10.328 6.392 1.461 1.00 2.29 O ATOM 1294 OD2 ASP A 84 -8.437 5.473 0.991 1.00 2.35 O ATOM 0 H ASP A 84 -9.687 5.730 -1.375 1.00 0.96 H new ATOM 0 HA ASP A 84 -11.852 3.655 -0.923 1.00 1.12 H new ATOM 0 HB2 ASP A 84 -10.992 3.797 1.413 1.00 1.41 H new ATOM 0 HB3 ASP A 84 -9.661 3.419 0.338 1.00 1.41 H new ATOM 1299 N ARG A 85 -13.478 5.284 0.036 1.00 1.68 N ATOM 1300 CA ARG A 85 -14.485 6.331 0.371 1.00 2.19 C ATOM 1301 C ARG A 85 -15.091 6.063 1.746 1.00 2.43 C ATOM 1302 O ARG A 85 -14.985 4.980 2.287 1.00 2.45 O ATOM 1303 CB ARG A 85 -15.562 6.218 -0.705 1.00 2.54 C ATOM 1304 CG ARG A 85 -14.925 6.357 -2.087 1.00 2.89 C ATOM 1305 CD ARG A 85 -16.028 6.485 -3.137 1.00 3.57 C ATOM 1306 NE ARG A 85 -15.322 6.386 -4.448 1.00 4.38 N ATOM 1307 CZ ARG A 85 -15.993 6.179 -5.552 1.00 5.24 C ATOM 1308 NH1 ARG A 85 -17.290 6.034 -5.518 1.00 5.66 N ATOM 1309 NH2 ARG A 85 -15.362 6.114 -6.694 1.00 5.92 N ATOM 0 H ARG A 85 -13.821 4.324 0.066 1.00 1.68 H new ATOM 0 HA ARG A 85 -14.039 7.325 0.401 1.00 2.19 H new ATOM 0 HB2 ARG A 85 -16.072 5.258 -0.624 1.00 2.54 H new ATOM 0 HB3 ARG A 85 -16.316 6.992 -0.562 1.00 2.54 H new ATOM 0 HG2 ARG A 85 -14.276 7.232 -2.115 1.00 2.89 H new ATOM 0 HG3 ARG A 85 -14.300 5.490 -2.302 1.00 2.89 H new ATOM 0 HD2 ARG A 85 -16.771 5.695 -3.028 1.00 3.57 H new ATOM 0 HD3 ARG A 85 -16.555 7.434 -3.043 1.00 3.57 H new ATOM 0 HE ARG A 85 -14.307 6.481 -4.484 1.00 4.38 H new ATOM 0 HH11 ARG A 85 -17.785 6.082 -4.628 1.00 5.66 H new ATOM 0 HH12 ARG A 85 -17.808 5.873 -6.382 1.00 5.66 H new ATOM 0 HH21 ARG A 85 -14.348 6.225 -6.724 1.00 5.92 H new ATOM 0 HH22 ARG A 85 -15.883 5.953 -7.556 1.00 5.92 H new ATOM 1323 N ASP A 86 -15.736 7.042 2.309 1.00 2.91 N ATOM 1324 CA ASP A 86 -16.360 6.846 3.648 1.00 3.32 C ATOM 1325 C ASP A 86 -17.830 6.459 3.485 1.00 3.42 C ATOM 1326 O ASP A 86 -18.616 6.556 4.407 1.00 3.81 O ATOM 1327 CB ASP A 86 -16.224 8.194 4.357 1.00 3.79 C ATOM 1328 CG ASP A 86 -14.740 8.509 4.558 1.00 3.73 C ATOM 1329 OD1 ASP A 86 -13.926 7.669 4.210 1.00 3.86 O ATOM 1330 OD2 ASP A 86 -14.443 9.580 5.060 1.00 4.03 O ATOM 0 H ASP A 86 -15.859 7.969 1.903 1.00 2.91 H new ATOM 0 HA ASP A 86 -15.883 6.048 4.217 1.00 3.32 H new ATOM 0 HB2 ASP A 86 -16.698 8.978 3.767 1.00 3.79 H new ATOM 0 HB3 ASP A 86 -16.736 8.166 5.319 1.00 3.79 H new ATOM 1335 N SER A 87 -18.206 6.016 2.315 1.00 3.36 N ATOM 1336 CA SER A 87 -19.623 5.615 2.089 1.00 3.59 C ATOM 1337 C SER A 87 -19.959 4.386 2.935 1.00 3.65 C ATOM 1338 O SER A 87 -19.330 3.353 2.825 1.00 3.69 O ATOM 1339 CB SER A 87 -19.707 5.269 0.604 1.00 3.66 C ATOM 1340 OG SER A 87 -19.433 6.431 -0.167 1.00 4.06 O ATOM 0 H SER A 87 -17.592 5.915 1.507 1.00 3.36 H new ATOM 0 HA SER A 87 -20.323 6.403 2.366 1.00 3.59 H new ATOM 0 HB2 SER A 87 -18.993 4.482 0.362 1.00 3.66 H new ATOM 0 HB3 SER A 87 -20.699 4.885 0.364 1.00 3.66 H new ATOM 0 HG SER A 87 -19.485 6.211 -1.120 1.00 4.06 H new ATOM 1346 N GLU A 88 -20.947 4.490 3.776 1.00 3.98 N ATOM 1347 CA GLU A 88 -21.329 3.330 4.628 1.00 4.33 C ATOM 1348 C GLU A 88 -22.239 2.375 3.851 1.00 4.19 C ATOM 1349 O GLU A 88 -22.658 1.353 4.356 1.00 4.49 O ATOM 1350 CB GLU A 88 -22.091 3.951 5.791 1.00 5.04 C ATOM 1351 CG GLU A 88 -23.401 4.541 5.265 1.00 5.17 C ATOM 1352 CD GLU A 88 -23.807 5.736 6.126 1.00 5.28 C ATOM 1353 OE1 GLU A 88 -22.959 6.577 6.375 1.00 5.57 O ATOM 1354 OE2 GLU A 88 -24.962 5.795 6.515 1.00 5.45 O ATOM 0 H GLU A 88 -21.509 5.330 3.911 1.00 3.98 H new ATOM 0 HA GLU A 88 -20.465 2.750 4.953 1.00 4.33 H new ATOM 0 HB2 GLU A 88 -22.295 3.199 6.553 1.00 5.04 H new ATOM 0 HB3 GLU A 88 -21.490 4.728 6.264 1.00 5.04 H new ATOM 0 HG2 GLU A 88 -23.281 4.852 4.227 1.00 5.17 H new ATOM 0 HG3 GLU A 88 -24.185 3.784 5.282 1.00 5.17 H new ATOM 1361 N ASP A 89 -22.555 2.707 2.631 1.00 3.97 N ATOM 1362 CA ASP A 89 -23.447 1.825 1.824 1.00 4.16 C ATOM 1363 C ASP A 89 -22.739 0.499 1.513 1.00 3.99 C ATOM 1364 O ASP A 89 -21.551 0.477 1.255 1.00 3.90 O ATOM 1365 CB ASP A 89 -23.721 2.622 0.547 1.00 4.39 C ATOM 1366 CG ASP A 89 -24.857 1.964 -0.238 1.00 4.36 C ATOM 1367 OD1 ASP A 89 -24.652 0.867 -0.730 1.00 4.78 O ATOM 1368 OD2 ASP A 89 -25.912 2.569 -0.332 1.00 4.39 O ATOM 0 H ASP A 89 -22.235 3.551 2.156 1.00 3.97 H new ATOM 0 HA ASP A 89 -24.369 1.565 2.344 1.00 4.16 H new ATOM 0 HB2 ASP A 89 -23.987 3.649 0.798 1.00 4.39 H new ATOM 0 HB3 ASP A 89 -22.821 2.666 -0.066 1.00 4.39 H new ATOM 1373 N PRO A 90 -23.497 -0.568 1.560 1.00 4.29 N ATOM 1374 CA PRO A 90 -22.938 -1.918 1.292 1.00 4.51 C ATOM 1375 C PRO A 90 -22.672 -2.088 -0.201 1.00 4.50 C ATOM 1376 O PRO A 90 -22.045 -3.036 -0.629 1.00 4.62 O ATOM 1377 CB PRO A 90 -24.044 -2.861 1.745 1.00 5.16 C ATOM 1378 CG PRO A 90 -25.299 -2.060 1.626 1.00 5.28 C ATOM 1379 CD PRO A 90 -24.931 -0.618 1.858 1.00 4.77 C ATOM 0 HA PRO A 90 -21.992 -2.099 1.802 1.00 4.51 H new ATOM 0 HB2 PRO A 90 -24.083 -3.754 1.121 1.00 5.16 H new ATOM 0 HB3 PRO A 90 -23.884 -3.196 2.770 1.00 5.16 H new ATOM 0 HG2 PRO A 90 -25.746 -2.189 0.640 1.00 5.28 H new ATOM 0 HG3 PRO A 90 -26.037 -2.391 2.356 1.00 5.28 H new ATOM 0 HD2 PRO A 90 -25.498 0.049 1.208 1.00 4.77 H new ATOM 0 HD3 PRO A 90 -25.137 -0.313 2.884 1.00 4.77 H new ATOM 1387 N ASP A 91 -23.149 -1.175 -0.997 1.00 4.57 N ATOM 1388 CA ASP A 91 -22.922 -1.282 -2.465 1.00 4.81 C ATOM 1389 C ASP A 91 -21.416 -1.361 -2.748 1.00 4.32 C ATOM 1390 O ASP A 91 -20.975 -2.070 -3.630 1.00 4.53 O ATOM 1391 CB ASP A 91 -23.522 -0.005 -3.059 1.00 5.19 C ATOM 1392 CG ASP A 91 -25.051 -0.101 -3.065 1.00 5.23 C ATOM 1393 OD1 ASP A 91 -25.569 -1.078 -2.549 1.00 5.61 O ATOM 1394 OD2 ASP A 91 -25.679 0.806 -3.588 1.00 5.22 O ATOM 0 H ASP A 91 -23.685 -0.361 -0.697 1.00 4.57 H new ATOM 0 HA ASP A 91 -23.378 -2.173 -2.896 1.00 4.81 H new ATOM 0 HB2 ASP A 91 -23.206 0.861 -2.477 1.00 5.19 H new ATOM 0 HB3 ASP A 91 -23.154 0.142 -4.075 1.00 5.19 H new ATOM 1399 N GLU A 92 -20.626 -0.644 -1.990 1.00 3.79 N ATOM 1400 CA GLU A 92 -19.144 -0.676 -2.191 1.00 3.43 C ATOM 1401 C GLU A 92 -18.461 -1.183 -0.917 1.00 3.17 C ATOM 1402 O GLU A 92 -18.160 -0.411 -0.030 1.00 3.06 O ATOM 1403 CB GLU A 92 -18.744 0.776 -2.457 1.00 3.34 C ATOM 1404 CG GLU A 92 -19.234 1.206 -3.841 1.00 3.95 C ATOM 1405 CD GLU A 92 -18.314 2.298 -4.389 1.00 3.88 C ATOM 1406 OE1 GLU A 92 -18.443 3.430 -3.952 1.00 4.00 O ATOM 1407 OE2 GLU A 92 -17.493 1.984 -5.236 1.00 4.19 O ATOM 0 H GLU A 92 -20.945 -0.035 -1.237 1.00 3.79 H new ATOM 0 HA GLU A 92 -18.852 -1.336 -3.008 1.00 3.43 H new ATOM 0 HB2 GLU A 92 -19.170 1.426 -1.693 1.00 3.34 H new ATOM 0 HB3 GLU A 92 -17.661 0.881 -2.396 1.00 3.34 H new ATOM 0 HG2 GLU A 92 -19.245 0.351 -4.517 1.00 3.95 H new ATOM 0 HG3 GLU A 92 -20.258 1.575 -3.778 1.00 3.95 H new ATOM 1414 N PRO A 93 -18.251 -2.469 -0.861 1.00 3.50 N ATOM 1415 CA PRO A 93 -17.611 -3.088 0.331 1.00 3.66 C ATOM 1416 C PRO A 93 -16.140 -2.673 0.436 1.00 3.04 C ATOM 1417 O PRO A 93 -15.247 -3.497 0.397 1.00 3.38 O ATOM 1418 CB PRO A 93 -17.735 -4.585 0.059 1.00 4.54 C ATOM 1419 CG PRO A 93 -17.828 -4.685 -1.426 1.00 4.70 C ATOM 1420 CD PRO A 93 -18.578 -3.466 -1.886 1.00 4.14 C ATOM 0 HA PRO A 93 -18.074 -2.785 1.270 1.00 3.66 H new ATOM 0 HB2 PRO A 93 -16.872 -5.131 0.441 1.00 4.54 H new ATOM 0 HB3 PRO A 93 -18.617 -5.005 0.542 1.00 4.54 H new ATOM 0 HG2 PRO A 93 -16.836 -4.724 -1.876 1.00 4.70 H new ATOM 0 HG3 PRO A 93 -18.348 -5.596 -1.722 1.00 4.70 H new ATOM 0 HD2 PRO A 93 -18.257 -3.145 -2.877 1.00 4.14 H new ATOM 0 HD3 PRO A 93 -19.651 -3.650 -1.942 1.00 4.14 H new ATOM 1428 N ALA A 94 -15.886 -1.402 0.572 1.00 2.52 N ATOM 1429 CA ALA A 94 -14.476 -0.921 0.685 1.00 2.01 C ATOM 1430 C ALA A 94 -13.967 -1.099 2.118 1.00 1.85 C ATOM 1431 O ALA A 94 -13.773 -0.141 2.841 1.00 2.12 O ATOM 1432 CB ALA A 94 -14.535 0.564 0.327 1.00 2.08 C ATOM 0 H ALA A 94 -16.596 -0.670 0.610 1.00 2.52 H new ATOM 0 HA ALA A 94 -13.800 -1.475 0.034 1.00 2.01 H new ATOM 0 HB1 ALA A 94 -13.535 0.993 0.387 1.00 2.08 H new ATOM 0 HB2 ALA A 94 -14.919 0.679 -0.687 1.00 2.08 H new ATOM 0 HB3 ALA A 94 -15.193 1.081 1.025 1.00 2.08 H new ATOM 1438 N LYS A 95 -13.744 -2.315 2.535 1.00 2.06 N ATOM 1439 CA LYS A 95 -13.243 -2.546 3.920 1.00 2.24 C ATOM 1440 C LYS A 95 -11.751 -2.878 3.889 1.00 1.88 C ATOM 1441 O LYS A 95 -11.109 -2.801 2.861 1.00 2.35 O ATOM 1442 CB LYS A 95 -14.047 -3.736 4.445 1.00 2.91 C ATOM 1443 CG LYS A 95 -15.525 -3.352 4.522 1.00 3.44 C ATOM 1444 CD LYS A 95 -16.239 -4.235 5.547 1.00 4.26 C ATOM 1445 CE LYS A 95 -16.212 -3.542 6.912 1.00 4.96 C ATOM 1446 NZ LYS A 95 -16.281 -4.643 7.913 1.00 5.62 N ATOM 0 H LYS A 95 -13.887 -3.157 1.978 1.00 2.06 H new ATOM 0 HA LYS A 95 -13.362 -1.667 4.554 1.00 2.24 H new ATOM 0 HB2 LYS A 95 -13.917 -4.596 3.788 1.00 2.91 H new ATOM 0 HB3 LYS A 95 -13.684 -4.029 5.430 1.00 2.91 H new ATOM 0 HG2 LYS A 95 -15.623 -2.303 4.801 1.00 3.44 H new ATOM 0 HG3 LYS A 95 -15.991 -3.466 3.543 1.00 3.44 H new ATOM 0 HD2 LYS A 95 -17.268 -4.414 5.237 1.00 4.26 H new ATOM 0 HD3 LYS A 95 -15.751 -5.208 5.610 1.00 4.26 H new ATOM 0 HE2 LYS A 95 -15.303 -2.954 7.036 1.00 4.96 H new ATOM 0 HE3 LYS A 95 -17.053 -2.857 7.022 1.00 4.96 H new ATOM 0 HZ1 LYS A 95 -16.267 -4.241 8.872 1.00 5.62 H new ATOM 0 HZ2 LYS A 95 -17.160 -5.182 7.776 1.00 5.62 H new ATOM 0 HZ3 LYS A 95 -15.465 -5.275 7.790 1.00 5.62 H new ATOM 1460 N GLU A 96 -11.195 -3.244 5.008 1.00 1.53 N ATOM 1461 CA GLU A 96 -9.745 -3.586 5.046 1.00 1.48 C ATOM 1462 C GLU A 96 -9.507 -4.928 4.350 1.00 1.16 C ATOM 1463 O GLU A 96 -8.394 -5.404 4.256 1.00 1.74 O ATOM 1464 CB GLU A 96 -9.409 -3.694 6.530 1.00 1.82 C ATOM 1465 CG GLU A 96 -9.642 -2.346 7.208 1.00 2.43 C ATOM 1466 CD GLU A 96 -9.081 -2.394 8.628 1.00 2.76 C ATOM 1467 OE1 GLU A 96 -9.202 -3.434 9.256 1.00 3.21 O ATOM 1468 OE2 GLU A 96 -8.540 -1.393 9.065 1.00 3.10 O ATOM 0 H GLU A 96 -11.682 -3.322 5.901 1.00 1.53 H new ATOM 0 HA GLU A 96 -9.129 -2.845 4.538 1.00 1.48 H new ATOM 0 HB2 GLU A 96 -10.028 -4.460 6.998 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -8.371 -4.001 6.657 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -9.158 -1.551 6.640 1.00 2.43 H new ATOM 0 HG3 GLU A 96 -10.707 -2.117 7.233 1.00 2.43 H new ATOM 1475 N GLN A 97 -10.554 -5.541 3.875 1.00 0.84 N ATOM 1476 CA GLN A 97 -10.416 -6.859 3.193 1.00 0.76 C ATOM 1477 C GLN A 97 -9.509 -6.745 1.961 1.00 0.67 C ATOM 1478 O GLN A 97 -9.100 -7.736 1.391 1.00 1.03 O ATOM 1479 CB GLN A 97 -11.840 -7.219 2.780 1.00 1.05 C ATOM 1480 CG GLN A 97 -12.256 -6.332 1.606 1.00 1.84 C ATOM 1481 CD GLN A 97 -13.755 -6.477 1.345 1.00 2.34 C ATOM 1482 OE1 GLN A 97 -14.554 -6.414 2.259 1.00 2.43 O ATOM 1483 NE2 GLN A 97 -14.172 -6.666 0.124 1.00 3.05 N ATOM 0 H GLN A 97 -11.508 -5.183 3.930 1.00 0.84 H new ATOM 0 HA GLN A 97 -9.962 -7.613 3.836 1.00 0.76 H new ATOM 0 HB2 GLN A 97 -11.896 -8.270 2.496 1.00 1.05 H new ATOM 0 HB3 GLN A 97 -12.522 -7.079 3.618 1.00 1.05 H new ATOM 0 HG2 GLN A 97 -12.016 -5.291 1.823 1.00 1.84 H new ATOM 0 HG3 GLN A 97 -11.695 -6.609 0.714 1.00 1.84 H new ATOM 0 HE21 GLN A 97 -13.500 -6.719 -0.642 1.00 3.05 H new ATOM 0 HE22 GLN A 97 -15.170 -6.761 -0.065 1.00 3.05 H new ATOM 1492 N LEU A 98 -9.182 -5.549 1.549 1.00 0.37 N ATOM 1493 CA LEU A 98 -8.295 -5.391 0.367 1.00 0.34 C ATOM 1494 C LEU A 98 -6.924 -5.968 0.703 1.00 0.34 C ATOM 1495 O LEU A 98 -6.259 -6.562 -0.122 1.00 0.54 O ATOM 1496 CB LEU A 98 -8.205 -3.882 0.140 1.00 0.33 C ATOM 1497 CG LEU A 98 -9.586 -3.331 -0.214 1.00 0.34 C ATOM 1498 CD1 LEU A 98 -9.526 -1.804 -0.249 1.00 0.40 C ATOM 1499 CD2 LEU A 98 -10.001 -3.852 -1.588 1.00 0.39 C ATOM 0 H LEU A 98 -9.492 -4.678 1.981 1.00 0.37 H new ATOM 0 HA LEU A 98 -8.664 -5.905 -0.520 1.00 0.34 H new ATOM 0 HB2 LEU A 98 -7.826 -3.392 1.037 1.00 0.33 H new ATOM 0 HB3 LEU A 98 -7.500 -3.667 -0.663 1.00 0.33 H new ATOM 0 HG LEU A 98 -10.312 -3.652 0.533 1.00 0.34 H new ATOM 0 HD11 LEU A 98 -10.509 -1.407 -0.501 1.00 0.40 H new ATOM 0 HD12 LEU A 98 -9.223 -1.429 0.729 1.00 0.40 H new ATOM 0 HD13 LEU A 98 -8.803 -1.485 -1.000 1.00 0.40 H new ATOM 0 HD21 LEU A 98 -10.986 -3.461 -1.843 1.00 0.39 H new ATOM 0 HD22 LEU A 98 -9.277 -3.527 -2.335 1.00 0.39 H new ATOM 0 HD23 LEU A 98 -10.037 -4.941 -1.568 1.00 0.39 H new ATOM 1511 N TYR A 99 -6.511 -5.798 1.925 1.00 0.20 N ATOM 1512 CA TYR A 99 -5.193 -6.333 2.359 1.00 0.18 C ATOM 1513 C TYR A 99 -5.285 -6.739 3.840 1.00 0.21 C ATOM 1514 O TYR A 99 -6.337 -7.124 4.313 1.00 0.31 O ATOM 1515 CB TYR A 99 -4.211 -5.171 2.138 1.00 0.17 C ATOM 1516 CG TYR A 99 -2.778 -5.667 2.027 1.00 0.14 C ATOM 1517 CD1 TYR A 99 -2.464 -7.020 2.231 1.00 0.26 C ATOM 1518 CD2 TYR A 99 -1.752 -4.753 1.732 1.00 0.27 C ATOM 1519 CE1 TYR A 99 -1.130 -7.452 2.139 1.00 0.26 C ATOM 1520 CE2 TYR A 99 -0.423 -5.189 1.643 1.00 0.28 C ATOM 1521 CZ TYR A 99 -0.114 -6.536 1.847 1.00 0.16 C ATOM 1522 OH TYR A 99 1.195 -6.963 1.760 1.00 0.20 O ATOM 0 H TYR A 99 -7.035 -5.307 2.649 1.00 0.20 H new ATOM 0 HA TYR A 99 -4.873 -7.219 1.811 1.00 0.18 H new ATOM 0 HB2 TYR A 99 -4.482 -4.632 1.230 1.00 0.17 H new ATOM 0 HB3 TYR A 99 -4.290 -4.464 2.964 1.00 0.17 H new ATOM 0 HD1 TYR A 99 -3.247 -7.728 2.458 1.00 0.26 H new ATOM 0 HD2 TYR A 99 -1.988 -3.711 1.573 1.00 0.27 H new ATOM 0 HE1 TYR A 99 -0.889 -8.493 2.294 1.00 0.26 H new ATOM 0 HE2 TYR A 99 0.363 -4.483 1.417 1.00 0.28 H new ATOM 0 HH TYR A 99 1.260 -7.886 2.082 1.00 0.20 H new ATOM 1532 N HIS A 100 -4.211 -6.663 4.578 1.00 0.22 N ATOM 1533 CA HIS A 100 -4.280 -7.055 6.021 1.00 0.26 C ATOM 1534 C HIS A 100 -4.950 -5.953 6.847 1.00 0.29 C ATOM 1535 O HIS A 100 -5.290 -4.902 6.342 1.00 0.36 O ATOM 1536 CB HIS A 100 -2.829 -7.242 6.459 1.00 0.26 C ATOM 1537 CG HIS A 100 -2.037 -6.038 6.050 1.00 0.27 C ATOM 1538 ND1 HIS A 100 -2.651 -4.879 5.566 1.00 1.42 N ATOM 1539 CD2 HIS A 100 -0.683 -5.793 6.018 1.00 0.75 C ATOM 1540 CE1 HIS A 100 -1.675 -3.999 5.261 1.00 1.29 C ATOM 1541 NE2 HIS A 100 -0.486 -4.521 5.523 1.00 0.33 N ATOM 0 H HIS A 100 -3.297 -6.350 4.252 1.00 0.22 H new ATOM 0 HA HIS A 100 -4.869 -7.961 6.166 1.00 0.26 H new ATOM 0 HB2 HIS A 100 -2.776 -7.378 7.539 1.00 0.26 H new ATOM 0 HB3 HIS A 100 -2.411 -8.140 6.004 1.00 0.26 H new ATOM 0 HD2 HIS A 100 0.092 -6.479 6.327 1.00 0.75 H new ATOM 0 HE1 HIS A 100 -1.840 -3.010 4.860 1.00 1.29 H new ATOM 0 HE2 HIS A 100 0.415 -4.064 5.383 1.00 0.33 H new ATOM 1549 N SER A 101 -5.147 -6.194 8.114 1.00 0.34 N ATOM 1550 CA SER A 101 -5.806 -5.173 8.985 1.00 0.40 C ATOM 1551 C SER A 101 -4.867 -3.994 9.270 1.00 0.40 C ATOM 1552 O SER A 101 -5.283 -2.976 9.786 1.00 0.60 O ATOM 1553 CB SER A 101 -6.127 -5.911 10.283 1.00 0.49 C ATOM 1554 OG SER A 101 -6.718 -5.003 11.203 1.00 1.33 O ATOM 0 H SER A 101 -4.880 -7.057 8.588 1.00 0.34 H new ATOM 0 HA SER A 101 -6.693 -4.755 8.508 1.00 0.40 H new ATOM 0 HB2 SER A 101 -6.806 -6.741 10.085 1.00 0.49 H new ATOM 0 HB3 SER A 101 -5.218 -6.337 10.707 1.00 0.49 H new ATOM 0 HG SER A 101 -6.927 -5.473 12.037 1.00 1.33 H new ATOM 1560 N ALA A 102 -3.607 -4.120 8.959 1.00 0.31 N ATOM 1561 CA ALA A 102 -2.663 -2.997 9.238 1.00 0.35 C ATOM 1562 C ALA A 102 -2.682 -1.980 8.097 1.00 0.31 C ATOM 1563 O ALA A 102 -2.252 -0.854 8.248 1.00 0.42 O ATOM 1564 CB ALA A 102 -1.287 -3.653 9.349 1.00 0.40 C ATOM 0 H ALA A 102 -3.190 -4.945 8.527 1.00 0.31 H new ATOM 0 HA ALA A 102 -2.932 -2.454 10.144 1.00 0.35 H new ATOM 0 HB1 ALA A 102 -0.536 -2.890 9.554 1.00 0.40 H new ATOM 0 HB2 ALA A 102 -1.295 -4.381 10.160 1.00 0.40 H new ATOM 0 HB3 ALA A 102 -1.047 -4.156 8.412 1.00 0.40 H new ATOM 1570 N GLU A 103 -3.168 -2.368 6.954 1.00 0.24 N ATOM 1571 CA GLU A 103 -3.205 -1.429 5.800 1.00 0.27 C ATOM 1572 C GLU A 103 -3.861 -0.097 6.185 1.00 0.26 C ATOM 1573 O GLU A 103 -4.796 -0.047 6.959 1.00 0.32 O ATOM 1574 CB GLU A 103 -4.053 -2.141 4.747 1.00 0.35 C ATOM 1575 CG GLU A 103 -5.532 -2.053 5.133 1.00 0.51 C ATOM 1576 CD GLU A 103 -6.359 -2.931 4.194 1.00 0.62 C ATOM 1577 OE1 GLU A 103 -6.098 -4.122 4.145 1.00 1.41 O ATOM 1578 OE2 GLU A 103 -7.240 -2.399 3.538 1.00 1.34 O ATOM 0 H GLU A 103 -3.543 -3.298 6.768 1.00 0.24 H new ATOM 0 HA GLU A 103 -2.202 -1.190 5.447 1.00 0.27 H new ATOM 0 HB2 GLU A 103 -3.894 -1.686 3.769 1.00 0.35 H new ATOM 0 HB3 GLU A 103 -3.749 -3.185 4.666 1.00 0.35 H new ATOM 0 HG2 GLU A 103 -5.669 -2.377 6.165 1.00 0.51 H new ATOM 0 HG3 GLU A 103 -5.873 -1.019 5.075 1.00 0.51 H new ATOM 1585 N LEU A 104 -3.386 0.978 5.617 1.00 0.26 N ATOM 1586 CA LEU A 104 -3.982 2.314 5.899 1.00 0.26 C ATOM 1587 C LEU A 104 -4.657 2.812 4.624 1.00 0.23 C ATOM 1588 O LEU A 104 -4.305 2.404 3.538 1.00 0.24 O ATOM 1589 CB LEU A 104 -2.809 3.218 6.278 1.00 0.30 C ATOM 1590 CG LEU A 104 -2.660 3.243 7.798 1.00 0.39 C ATOM 1591 CD1 LEU A 104 -2.204 1.867 8.283 1.00 0.43 C ATOM 1592 CD2 LEU A 104 -1.620 4.294 8.194 1.00 0.48 C ATOM 0 H LEU A 104 -2.603 0.987 4.963 1.00 0.26 H new ATOM 0 HA LEU A 104 -4.726 2.293 6.696 1.00 0.26 H new ATOM 0 HB2 LEU A 104 -1.891 2.854 5.817 1.00 0.30 H new ATOM 0 HB3 LEU A 104 -2.976 4.227 5.901 1.00 0.30 H new ATOM 0 HG LEU A 104 -3.618 3.493 8.254 1.00 0.39 H new ATOM 0 HD11 LEU A 104 -2.096 1.881 9.368 1.00 0.43 H new ATOM 0 HD12 LEU A 104 -2.944 1.118 8.001 1.00 0.43 H new ATOM 0 HD13 LEU A 104 -1.246 1.620 7.826 1.00 0.43 H new ATOM 0 HD21 LEU A 104 -1.515 4.311 9.279 1.00 0.48 H new ATOM 0 HD22 LEU A 104 -0.661 4.046 7.740 1.00 0.48 H new ATOM 0 HD23 LEU A 104 -1.943 5.275 7.846 1.00 0.48 H new ATOM 1604 N HIS A 105 -5.629 3.669 4.728 1.00 0.28 N ATOM 1605 CA HIS A 105 -6.308 4.147 3.491 1.00 0.27 C ATOM 1606 C HIS A 105 -5.988 5.617 3.221 1.00 0.25 C ATOM 1607 O HIS A 105 -5.922 6.429 4.122 1.00 0.33 O ATOM 1608 CB HIS A 105 -7.796 3.956 3.763 1.00 0.35 C ATOM 1609 CG HIS A 105 -8.047 2.516 4.108 1.00 0.48 C ATOM 1610 ND1 HIS A 105 -9.199 2.098 4.755 1.00 0.89 N ATOM 1611 CD2 HIS A 105 -7.295 1.384 3.912 1.00 0.43 C ATOM 1612 CE1 HIS A 105 -9.107 0.765 4.924 1.00 0.99 C ATOM 1613 NE2 HIS A 105 -7.966 0.280 4.428 1.00 0.69 N ATOM 0 H HIS A 105 -5.981 4.057 5.603 1.00 0.28 H new ATOM 0 HA HIS A 105 -5.978 3.600 2.608 1.00 0.27 H new ATOM 0 HB2 HIS A 105 -8.115 4.601 4.582 1.00 0.35 H new ATOM 0 HB3 HIS A 105 -8.379 4.241 2.887 1.00 0.35 H new ATOM 0 HD2 HIS A 105 -6.329 1.355 3.430 1.00 0.43 H new ATOM 0 HE1 HIS A 105 -9.864 0.162 5.403 1.00 0.99 H new ATOM 0 HE2 HIS A 105 -7.654 -0.691 4.428 1.00 0.69 H new ATOM 1621 N LEU A 106 -5.792 5.957 1.978 1.00 0.21 N ATOM 1622 CA LEU A 106 -5.477 7.370 1.624 1.00 0.22 C ATOM 1623 C LEU A 106 -6.502 7.901 0.620 1.00 0.22 C ATOM 1624 O LEU A 106 -6.934 7.197 -0.271 1.00 0.30 O ATOM 1625 CB LEU A 106 -4.086 7.318 0.993 1.00 0.23 C ATOM 1626 CG LEU A 106 -3.679 8.724 0.553 1.00 0.30 C ATOM 1627 CD1 LEU A 106 -3.663 9.655 1.767 1.00 0.39 C ATOM 1628 CD2 LEU A 106 -2.284 8.678 -0.073 1.00 0.40 C ATOM 0 H LEU A 106 -5.837 5.314 1.188 1.00 0.21 H new ATOM 0 HA LEU A 106 -5.507 8.031 2.490 1.00 0.22 H new ATOM 0 HB2 LEU A 106 -3.364 6.925 1.709 1.00 0.23 H new ATOM 0 HB3 LEU A 106 -4.087 6.643 0.137 1.00 0.23 H new ATOM 0 HG LEU A 106 -4.395 9.096 -0.180 1.00 0.30 H new ATOM 0 HD11 LEU A 106 -3.373 10.658 1.453 1.00 0.39 H new ATOM 0 HD12 LEU A 106 -4.657 9.688 2.213 1.00 0.39 H new ATOM 0 HD13 LEU A 106 -2.948 9.284 2.501 1.00 0.39 H new ATOM 0 HD21 LEU A 106 -1.993 9.680 -0.387 1.00 0.40 H new ATOM 0 HD22 LEU A 106 -1.568 8.305 0.660 1.00 0.40 H new ATOM 0 HD23 LEU A 106 -2.295 8.016 -0.938 1.00 0.40 H new ATOM 1640 N GLY A 107 -6.894 9.138 0.752 1.00 0.27 N ATOM 1641 CA GLY A 107 -7.888 9.705 -0.201 1.00 0.31 C ATOM 1642 C GLY A 107 -7.233 9.886 -1.571 1.00 0.29 C ATOM 1643 O GLY A 107 -6.069 10.219 -1.674 1.00 0.32 O ATOM 0 H GLY A 107 -6.570 9.779 1.476 1.00 0.27 H new ATOM 0 HA2 GLY A 107 -8.749 9.042 -0.282 1.00 0.31 H new ATOM 0 HA3 GLY A 107 -8.256 10.662 0.167 1.00 0.31 H new ATOM 1647 N ILE A 108 -7.971 9.673 -2.625 1.00 0.31 N ATOM 1648 CA ILE A 108 -7.407 9.829 -3.985 1.00 0.31 C ATOM 1649 C ILE A 108 -6.899 11.258 -4.193 1.00 0.34 C ATOM 1650 O ILE A 108 -5.862 11.477 -4.788 1.00 0.37 O ATOM 1651 CB ILE A 108 -8.597 9.544 -4.891 1.00 0.37 C ATOM 1652 CG1 ILE A 108 -9.003 8.074 -4.759 1.00 0.44 C ATOM 1653 CG2 ILE A 108 -8.217 9.848 -6.326 1.00 0.40 C ATOM 1654 CD1 ILE A 108 -10.217 7.796 -5.647 1.00 1.32 C ATOM 0 H ILE A 108 -8.952 9.394 -2.596 1.00 0.31 H new ATOM 0 HA ILE A 108 -6.558 9.174 -4.177 1.00 0.31 H new ATOM 0 HB ILE A 108 -9.439 10.172 -4.599 1.00 0.37 H new ATOM 0 HG12 ILE A 108 -8.173 7.429 -5.048 1.00 0.44 H new ATOM 0 HG13 ILE A 108 -9.239 7.843 -3.720 1.00 0.44 H new ATOM 0 HG21 ILE A 108 -9.067 9.645 -6.978 1.00 0.40 H new ATOM 0 HG22 ILE A 108 -7.935 10.897 -6.413 1.00 0.40 H new ATOM 0 HG23 ILE A 108 -7.376 9.221 -6.620 1.00 0.40 H new ATOM 0 HD11 ILE A 108 -10.505 6.749 -5.552 1.00 1.32 H new ATOM 0 HD12 ILE A 108 -11.047 8.430 -5.337 1.00 1.32 H new ATOM 0 HD13 ILE A 108 -9.965 8.010 -6.686 1.00 1.32 H new ATOM 1666 N HIS A 109 -7.622 12.229 -3.711 1.00 0.40 N ATOM 1667 CA HIS A 109 -7.180 13.643 -3.879 1.00 0.49 C ATOM 1668 C HIS A 109 -6.278 14.048 -2.711 1.00 0.49 C ATOM 1669 O HIS A 109 -5.893 15.192 -2.576 1.00 0.59 O ATOM 1670 CB HIS A 109 -8.471 14.463 -3.873 1.00 0.58 C ATOM 1671 CG HIS A 109 -8.984 14.579 -2.463 1.00 1.40 C ATOM 1672 ND1 HIS A 109 -8.838 15.738 -1.716 1.00 2.36 N ATOM 1673 CD2 HIS A 109 -9.644 13.691 -1.649 1.00 2.28 C ATOM 1674 CE1 HIS A 109 -9.396 15.518 -0.512 1.00 3.21 C ATOM 1675 NE2 HIS A 109 -9.903 14.286 -0.418 1.00 3.19 N ATOM 0 H HIS A 109 -8.500 12.106 -3.208 1.00 0.40 H new ATOM 0 HA HIS A 109 -6.607 13.796 -4.794 1.00 0.49 H new ATOM 0 HB2 HIS A 109 -8.287 15.454 -4.287 1.00 0.58 H new ATOM 0 HB3 HIS A 109 -9.220 13.987 -4.506 1.00 0.58 H new ATOM 0 HD2 HIS A 109 -9.920 12.683 -1.923 1.00 2.28 H new ATOM 0 HE1 HIS A 109 -9.430 16.249 0.282 1.00 3.21 H new ATOM 0 HE2 HIS A 109 -10.378 13.871 0.384 1.00 3.19 H new ATOM 1683 N GLN A 110 -5.937 13.112 -1.867 1.00 0.41 N ATOM 1684 CA GLN A 110 -5.058 13.433 -0.705 1.00 0.43 C ATOM 1685 C GLN A 110 -3.659 12.866 -0.928 1.00 0.44 C ATOM 1686 O GLN A 110 -2.935 12.593 0.009 1.00 0.45 O ATOM 1687 CB GLN A 110 -5.719 12.756 0.497 1.00 0.40 C ATOM 1688 CG GLN A 110 -7.084 13.395 0.759 1.00 0.46 C ATOM 1689 CD GLN A 110 -7.532 13.082 2.189 1.00 0.53 C ATOM 1690 OE1 GLN A 110 -7.797 11.848 2.526 1.00 1.38 O flip ATOM 1691 NE2 GLN A 110 -7.641 13.969 3.010 1.00 1.02 N flip ATOM 0 H GLN A 110 -6.230 12.137 -1.932 1.00 0.41 H new ATOM 0 HA GLN A 110 -4.949 14.508 -0.560 1.00 0.43 H new ATOM 0 HB2 GLN A 110 -5.836 11.689 0.307 1.00 0.40 H new ATOM 0 HB3 GLN A 110 -5.084 12.856 1.378 1.00 0.40 H new ATOM 0 HG2 GLN A 110 -7.026 14.474 0.613 1.00 0.46 H new ATOM 0 HG3 GLN A 110 -7.817 13.016 0.047 1.00 0.46 H new ATOM 0 HE21 GLN A 110 -7.435 14.933 2.749 1.00 1.02 H new ATOM 0 HE22 GLN A 110 -7.939 13.750 3.961 1.00 1.02 H new ATOM 1700 N LEU A 111 -3.265 12.688 -2.158 1.00 0.48 N ATOM 1701 CA LEU A 111 -1.910 12.139 -2.415 1.00 0.53 C ATOM 1702 C LEU A 111 -0.862 13.097 -1.844 1.00 0.68 C ATOM 1703 O LEU A 111 -0.531 14.118 -2.421 1.00 1.48 O ATOM 1704 CB LEU A 111 -1.788 12.031 -3.937 1.00 0.51 C ATOM 1705 CG LEU A 111 -2.479 10.760 -4.467 1.00 0.35 C ATOM 1706 CD1 LEU A 111 -1.449 9.901 -5.191 1.00 0.68 C ATOM 1707 CD2 LEU A 111 -3.097 9.932 -3.332 1.00 0.62 C ATOM 0 H LEU A 111 -3.819 12.898 -2.988 1.00 0.48 H new ATOM 0 HA LEU A 111 -1.754 11.168 -1.945 1.00 0.53 H new ATOM 0 HB2 LEU A 111 -2.233 12.910 -4.403 1.00 0.51 H new ATOM 0 HB3 LEU A 111 -0.735 12.019 -4.219 1.00 0.51 H new ATOM 0 HG LEU A 111 -3.278 11.068 -5.141 1.00 0.35 H new ATOM 0 HD11 LEU A 111 -1.929 8.999 -5.570 1.00 0.68 H new ATOM 0 HD12 LEU A 111 -1.026 10.464 -6.023 1.00 0.68 H new ATOM 0 HD13 LEU A 111 -0.654 9.625 -4.498 1.00 0.68 H new ATOM 0 HD21 LEU A 111 -3.574 9.044 -3.747 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -2.316 9.631 -2.634 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -3.841 10.532 -2.807 1.00 0.62 H new ATOM 1719 N GLU A 112 -0.357 12.755 -0.698 1.00 0.35 N ATOM 1720 CA GLU A 112 0.669 13.592 -0.012 1.00 0.34 C ATOM 1721 C GLU A 112 0.828 13.089 1.423 1.00 0.30 C ATOM 1722 O GLU A 112 1.845 13.284 2.057 1.00 0.37 O ATOM 1723 CB GLU A 112 0.119 15.018 -0.013 1.00 0.41 C ATOM 1724 CG GLU A 112 -1.336 15.001 0.455 1.00 0.73 C ATOM 1725 CD GLU A 112 -1.879 16.431 0.493 1.00 0.80 C ATOM 1726 OE1 GLU A 112 -1.123 17.322 0.849 1.00 1.30 O ATOM 1727 OE2 GLU A 112 -3.041 16.612 0.168 1.00 1.45 O ATOM 0 H GLU A 112 -0.617 11.909 -0.192 1.00 0.35 H new ATOM 0 HA GLU A 112 1.641 13.548 -0.504 1.00 0.34 H new ATOM 0 HB2 GLU A 112 0.716 15.650 0.644 1.00 0.41 H new ATOM 0 HB3 GLU A 112 0.186 15.445 -1.014 1.00 0.41 H new ATOM 0 HG2 GLU A 112 -1.938 14.390 -0.218 1.00 0.73 H new ATOM 0 HG3 GLU A 112 -1.405 14.548 1.444 1.00 0.73 H new ATOM 1734 N GLN A 113 -0.183 12.433 1.933 1.00 0.26 N ATOM 1735 CA GLN A 113 -0.109 11.902 3.328 1.00 0.26 C ATOM 1736 C GLN A 113 0.659 10.577 3.348 1.00 0.22 C ATOM 1737 O GLN A 113 0.881 9.991 4.389 1.00 0.24 O ATOM 1738 CB GLN A 113 -1.563 11.673 3.744 1.00 0.32 C ATOM 1739 CG GLN A 113 -2.278 13.017 3.897 1.00 0.37 C ATOM 1740 CD GLN A 113 -3.777 12.773 4.085 1.00 0.45 C ATOM 1741 OE1 GLN A 113 -4.237 11.651 3.998 1.00 0.72 O ATOM 1742 NE2 GLN A 113 -4.564 13.782 4.335 1.00 0.75 N ATOM 0 H GLN A 113 -1.057 12.242 1.443 1.00 0.26 H new ATOM 0 HA GLN A 113 0.408 12.586 4.001 1.00 0.26 H new ATOM 0 HB2 GLN A 113 -2.072 11.063 2.998 1.00 0.32 H new ATOM 0 HB3 GLN A 113 -1.599 11.123 4.684 1.00 0.32 H new ATOM 0 HG2 GLN A 113 -1.876 13.561 4.752 1.00 0.37 H new ATOM 0 HG3 GLN A 113 -2.106 13.636 3.016 1.00 0.37 H new ATOM 0 HE21 GLN A 113 -4.179 14.724 4.408 1.00 0.75 H new ATOM 0 HE22 GLN A 113 -5.565 13.630 4.458 1.00 0.75 H new ATOM 1751 N LEU A 114 1.049 10.092 2.200 1.00 0.21 N ATOM 1752 CA LEU A 114 1.784 8.793 2.145 1.00 0.19 C ATOM 1753 C LEU A 114 2.961 8.757 3.130 1.00 0.17 C ATOM 1754 O LEU A 114 3.134 7.775 3.824 1.00 0.19 O ATOM 1755 CB LEU A 114 2.273 8.677 0.705 1.00 0.20 C ATOM 1756 CG LEU A 114 1.085 8.366 -0.207 1.00 0.27 C ATOM 1757 CD1 LEU A 114 0.809 9.564 -1.114 1.00 0.55 C ATOM 1758 CD2 LEU A 114 1.406 7.140 -1.064 1.00 0.51 C ATOM 0 H LEU A 114 0.891 10.539 1.297 1.00 0.21 H new ATOM 0 HA LEU A 114 1.141 7.961 2.432 1.00 0.19 H new ATOM 0 HB2 LEU A 114 2.751 9.606 0.395 1.00 0.20 H new ATOM 0 HB3 LEU A 114 3.023 7.890 0.626 1.00 0.20 H new ATOM 0 HG LEU A 114 0.204 8.163 0.402 1.00 0.27 H new ATOM 0 HD11 LEU A 114 -0.038 9.341 -1.763 1.00 0.55 H new ATOM 0 HD12 LEU A 114 0.578 10.437 -0.504 1.00 0.55 H new ATOM 0 HD13 LEU A 114 1.689 9.770 -1.723 1.00 0.55 H new ATOM 0 HD21 LEU A 114 0.559 6.919 -1.714 1.00 0.51 H new ATOM 0 HD22 LEU A 114 2.287 7.342 -1.673 1.00 0.51 H new ATOM 0 HD23 LEU A 114 1.600 6.285 -0.417 1.00 0.51 H new ATOM 1770 N PRO A 115 3.734 9.815 3.183 1.00 0.18 N ATOM 1771 CA PRO A 115 4.883 9.839 4.121 1.00 0.19 C ATOM 1772 C PRO A 115 4.363 9.789 5.557 1.00 0.20 C ATOM 1773 O PRO A 115 4.689 8.893 6.311 1.00 0.24 O ATOM 1774 CB PRO A 115 5.588 11.155 3.804 1.00 0.22 C ATOM 1775 CG PRO A 115 4.530 12.005 3.179 1.00 0.22 C ATOM 1776 CD PRO A 115 3.629 11.064 2.418 1.00 0.20 C ATOM 0 HA PRO A 115 5.562 8.993 4.017 1.00 0.19 H new ATOM 0 HB2 PRO A 115 5.988 11.618 4.706 1.00 0.22 H new ATOM 0 HB3 PRO A 115 6.427 11.002 3.125 1.00 0.22 H new ATOM 0 HG2 PRO A 115 3.970 12.551 3.938 1.00 0.22 H new ATOM 0 HG3 PRO A 115 4.970 12.747 2.513 1.00 0.22 H new ATOM 0 HD2 PRO A 115 2.603 11.429 2.381 1.00 0.20 H new ATOM 0 HD3 PRO A 115 3.959 10.935 1.387 1.00 0.20 H new ATOM 1784 N TYR A 116 3.527 10.715 5.934 1.00 0.24 N ATOM 1785 CA TYR A 116 2.965 10.673 7.308 1.00 0.26 C ATOM 1786 C TYR A 116 2.203 9.354 7.463 1.00 0.25 C ATOM 1787 O TYR A 116 2.268 8.696 8.484 1.00 0.29 O ATOM 1788 CB TYR A 116 2.053 11.905 7.399 1.00 0.29 C ATOM 1789 CG TYR A 116 0.617 11.510 7.654 1.00 0.32 C ATOM 1790 CD1 TYR A 116 0.274 10.805 8.812 1.00 0.40 C ATOM 1791 CD2 TYR A 116 -0.375 11.871 6.733 1.00 0.37 C ATOM 1792 CE1 TYR A 116 -1.064 10.458 9.048 1.00 0.46 C ATOM 1793 CE2 TYR A 116 -1.712 11.527 6.969 1.00 0.43 C ATOM 1794 CZ TYR A 116 -2.056 10.819 8.127 1.00 0.44 C ATOM 1795 OH TYR A 116 -3.373 10.477 8.360 1.00 0.53 O ATOM 0 H TYR A 116 3.212 11.493 5.354 1.00 0.24 H new ATOM 0 HA TYR A 116 3.708 10.705 8.105 1.00 0.26 H new ATOM 0 HB2 TYR A 116 2.400 12.558 8.200 1.00 0.29 H new ATOM 0 HB3 TYR A 116 2.116 12.476 6.472 1.00 0.29 H new ATOM 0 HD1 TYR A 116 1.038 10.528 9.523 1.00 0.40 H new ATOM 0 HD2 TYR A 116 -0.108 12.416 5.839 1.00 0.37 H new ATOM 0 HE1 TYR A 116 -1.330 9.912 9.941 1.00 0.46 H new ATOM 0 HE2 TYR A 116 -2.476 11.807 6.259 1.00 0.43 H new ATOM 0 HH TYR A 116 -3.613 9.704 7.808 1.00 0.53 H new ATOM 1805 N GLN A 117 1.529 8.940 6.423 1.00 0.24 N ATOM 1806 CA GLN A 117 0.801 7.640 6.464 1.00 0.24 C ATOM 1807 C GLN A 117 1.805 6.490 6.566 1.00 0.23 C ATOM 1808 O GLN A 117 1.602 5.535 7.292 1.00 0.25 O ATOM 1809 CB GLN A 117 0.037 7.573 5.141 1.00 0.25 C ATOM 1810 CG GLN A 117 -1.192 8.481 5.221 1.00 0.28 C ATOM 1811 CD GLN A 117 -2.175 7.902 6.239 1.00 0.38 C ATOM 1812 OE1 GLN A 117 -3.106 8.665 6.741 1.00 0.71 O flip ATOM 1813 NE2 GLN A 117 -2.097 6.739 6.579 1.00 0.46 N flip ATOM 0 H GLN A 117 1.452 9.450 5.543 1.00 0.24 H new ATOM 0 HA GLN A 117 0.132 7.560 7.321 1.00 0.24 H new ATOM 0 HB2 GLN A 117 0.681 7.885 4.319 1.00 0.25 H new ATOM 0 HB3 GLN A 117 -0.267 6.547 4.935 1.00 0.25 H new ATOM 0 HG2 GLN A 117 -0.897 9.489 5.514 1.00 0.28 H new ATOM 0 HG3 GLN A 117 -1.666 8.559 4.243 1.00 0.28 H new ATOM 0 HE21 GLN A 117 -1.370 6.141 6.187 1.00 0.46 H new ATOM 0 HE22 GLN A 117 -2.759 6.360 7.256 1.00 0.46 H new ATOM 1822 N VAL A 118 2.894 6.587 5.856 1.00 0.21 N ATOM 1823 CA VAL A 118 3.927 5.513 5.921 1.00 0.21 C ATOM 1824 C VAL A 118 4.443 5.398 7.355 1.00 0.22 C ATOM 1825 O VAL A 118 4.516 4.322 7.916 1.00 0.26 O ATOM 1826 CB VAL A 118 5.039 5.969 4.970 1.00 0.22 C ATOM 1827 CG1 VAL A 118 6.374 5.342 5.382 1.00 0.26 C ATOM 1828 CG2 VAL A 118 4.697 5.530 3.545 1.00 0.25 C ATOM 0 H VAL A 118 3.115 7.364 5.233 1.00 0.21 H new ATOM 0 HA VAL A 118 3.542 4.534 5.636 1.00 0.21 H new ATOM 0 HB VAL A 118 5.123 7.055 5.016 1.00 0.22 H new ATOM 0 HG11 VAL A 118 7.157 5.673 4.700 1.00 0.26 H new ATOM 0 HG12 VAL A 118 6.623 5.651 6.397 1.00 0.26 H new ATOM 0 HG13 VAL A 118 6.293 4.256 5.343 1.00 0.26 H new ATOM 0 HG21 VAL A 118 5.486 5.853 2.866 1.00 0.25 H new ATOM 0 HG22 VAL A 118 4.610 4.444 3.510 1.00 0.25 H new ATOM 0 HG23 VAL A 118 3.751 5.980 3.243 1.00 0.25 H new ATOM 1838 N ASP A 119 4.777 6.504 7.965 1.00 0.21 N ATOM 1839 CA ASP A 119 5.260 6.449 9.372 1.00 0.25 C ATOM 1840 C ASP A 119 4.163 5.846 10.250 1.00 0.26 C ATOM 1841 O ASP A 119 4.418 5.034 11.118 1.00 0.29 O ATOM 1842 CB ASP A 119 5.529 7.905 9.757 1.00 0.28 C ATOM 1843 CG ASP A 119 6.753 8.420 8.995 1.00 0.33 C ATOM 1844 OD1 ASP A 119 7.337 7.643 8.257 1.00 1.08 O ATOM 1845 OD2 ASP A 119 7.085 9.581 9.164 1.00 1.16 O ATOM 0 H ASP A 119 4.736 7.436 7.552 1.00 0.21 H new ATOM 0 HA ASP A 119 6.153 5.836 9.495 1.00 0.25 H new ATOM 0 HB2 ASP A 119 4.659 8.520 9.526 1.00 0.28 H new ATOM 0 HB3 ASP A 119 5.698 7.983 10.831 1.00 0.28 H new ATOM 1850 N ALA A 120 2.935 6.224 10.008 1.00 0.25 N ATOM 1851 CA ALA A 120 1.806 5.664 10.802 1.00 0.27 C ATOM 1852 C ALA A 120 1.580 4.207 10.400 1.00 0.26 C ATOM 1853 O ALA A 120 1.402 3.340 11.233 1.00 0.31 O ATOM 1854 CB ALA A 120 0.592 6.515 10.427 1.00 0.30 C ATOM 0 H ALA A 120 2.666 6.899 9.292 1.00 0.25 H new ATOM 0 HA ALA A 120 1.995 5.686 11.875 1.00 0.27 H new ATOM 0 HB1 ALA A 120 -0.283 6.162 10.974 1.00 0.30 H new ATOM 0 HB2 ALA A 120 0.785 7.557 10.684 1.00 0.30 H new ATOM 0 HB3 ALA A 120 0.408 6.434 9.356 1.00 0.30 H new ATOM 1860 N ALA A 121 1.596 3.932 9.123 1.00 0.21 N ATOM 1861 CA ALA A 121 1.392 2.532 8.660 1.00 0.22 C ATOM 1862 C ALA A 121 2.463 1.632 9.273 1.00 0.21 C ATOM 1863 O ALA A 121 2.211 0.495 9.617 1.00 0.24 O ATOM 1864 CB ALA A 121 1.544 2.593 7.137 1.00 0.22 C ATOM 0 H ALA A 121 1.742 4.617 8.382 1.00 0.21 H new ATOM 0 HA ALA A 121 0.423 2.128 8.951 1.00 0.22 H new ATOM 0 HB1 ALA A 121 1.407 1.596 6.717 1.00 0.22 H new ATOM 0 HB2 ALA A 121 0.794 3.267 6.723 1.00 0.22 H new ATOM 0 HB3 ALA A 121 2.539 2.959 6.885 1.00 0.22 H new ATOM 1870 N LEU A 122 3.655 2.139 9.421 1.00 0.22 N ATOM 1871 CA LEU A 122 4.741 1.319 10.021 1.00 0.23 C ATOM 1872 C LEU A 122 4.393 0.980 11.471 1.00 0.24 C ATOM 1873 O LEU A 122 4.415 -0.165 11.874 1.00 0.25 O ATOM 1874 CB LEU A 122 5.981 2.212 9.973 1.00 0.27 C ATOM 1875 CG LEU A 122 6.423 2.415 8.524 1.00 0.32 C ATOM 1876 CD1 LEU A 122 7.236 3.706 8.423 1.00 0.37 C ATOM 1877 CD2 LEU A 122 7.293 1.235 8.088 1.00 0.44 C ATOM 0 H LEU A 122 3.923 3.086 9.152 1.00 0.22 H new ATOM 0 HA LEU A 122 4.892 0.378 9.492 1.00 0.23 H new ATOM 0 HB2 LEU A 122 5.763 3.176 10.434 1.00 0.27 H new ATOM 0 HB3 LEU A 122 6.788 1.759 10.548 1.00 0.27 H new ATOM 0 HG LEU A 122 5.547 2.480 7.879 1.00 0.32 H new ATOM 0 HD11 LEU A 122 7.554 3.856 7.391 1.00 0.37 H new ATOM 0 HD12 LEU A 122 6.621 4.549 8.739 1.00 0.37 H new ATOM 0 HD13 LEU A 122 8.113 3.635 9.066 1.00 0.37 H new ATOM 0 HD21 LEU A 122 7.609 1.378 7.055 1.00 0.44 H new ATOM 0 HD22 LEU A 122 8.171 1.173 8.731 1.00 0.44 H new ATOM 0 HD23 LEU A 122 6.720 0.311 8.167 1.00 0.44 H new ATOM 1889 N ALA A 123 4.063 1.970 12.257 1.00 0.28 N ATOM 1890 CA ALA A 123 3.705 1.697 13.677 1.00 0.32 C ATOM 1891 C ALA A 123 2.478 0.787 13.727 1.00 0.31 C ATOM 1892 O ALA A 123 2.415 -0.149 14.499 1.00 0.32 O ATOM 1893 CB ALA A 123 3.391 3.064 14.284 1.00 0.42 C ATOM 0 H ALA A 123 4.026 2.950 11.978 1.00 0.28 H new ATOM 0 HA ALA A 123 4.504 1.195 14.222 1.00 0.32 H new ATOM 0 HB1 ALA A 123 3.118 2.943 15.332 1.00 0.42 H new ATOM 0 HB2 ALA A 123 4.269 3.705 14.210 1.00 0.42 H new ATOM 0 HB3 ALA A 123 2.562 3.520 13.744 1.00 0.42 H new ATOM 1899 N GLU A 124 1.505 1.050 12.896 1.00 0.32 N ATOM 1900 CA GLU A 124 0.285 0.197 12.878 1.00 0.35 C ATOM 1901 C GLU A 124 0.663 -1.243 12.532 1.00 0.31 C ATOM 1902 O GLU A 124 0.127 -2.189 13.074 1.00 0.37 O ATOM 1903 CB GLU A 124 -0.593 0.796 11.778 1.00 0.40 C ATOM 1904 CG GLU A 124 -1.925 0.047 11.718 1.00 0.56 C ATOM 1905 CD GLU A 124 -2.794 0.455 12.909 1.00 0.94 C ATOM 1906 OE1 GLU A 124 -2.765 1.621 13.265 1.00 1.72 O ATOM 1907 OE2 GLU A 124 -3.475 -0.405 13.442 1.00 1.47 O ATOM 0 H GLU A 124 1.504 1.821 12.228 1.00 0.32 H new ATOM 0 HA GLU A 124 -0.224 0.174 13.842 1.00 0.35 H new ATOM 0 HB2 GLU A 124 -0.768 1.854 11.974 1.00 0.40 H new ATOM 0 HB3 GLU A 124 -0.084 0.730 10.816 1.00 0.40 H new ATOM 0 HG2 GLU A 124 -2.440 0.273 10.784 1.00 0.56 H new ATOM 0 HG3 GLU A 124 -1.750 -1.029 11.733 1.00 0.56 H new ATOM 1914 N PHE A 125 1.580 -1.410 11.619 1.00 0.27 N ATOM 1915 CA PHE A 125 1.999 -2.780 11.213 1.00 0.28 C ATOM 1916 C PHE A 125 2.665 -3.523 12.375 1.00 0.30 C ATOM 1917 O PHE A 125 2.475 -4.710 12.551 1.00 0.34 O ATOM 1918 CB PHE A 125 2.996 -2.557 10.081 1.00 0.31 C ATOM 1919 CG PHE A 125 3.376 -3.886 9.484 1.00 0.35 C ATOM 1920 CD1 PHE A 125 2.606 -4.436 8.454 1.00 0.47 C ATOM 1921 CD2 PHE A 125 4.499 -4.569 9.962 1.00 0.57 C ATOM 1922 CE1 PHE A 125 2.959 -5.671 7.901 1.00 0.59 C ATOM 1923 CE2 PHE A 125 4.854 -5.804 9.410 1.00 0.69 C ATOM 1924 CZ PHE A 125 4.084 -6.356 8.379 1.00 0.64 C ATOM 0 H PHE A 125 2.059 -0.651 11.134 1.00 0.27 H new ATOM 0 HA PHE A 125 1.150 -3.392 10.909 1.00 0.28 H new ATOM 0 HB2 PHE A 125 2.559 -1.914 9.317 1.00 0.31 H new ATOM 0 HB3 PHE A 125 3.883 -2.047 10.457 1.00 0.31 H new ATOM 0 HD1 PHE A 125 1.739 -3.907 8.086 1.00 0.47 H new ATOM 0 HD2 PHE A 125 5.092 -4.143 10.758 1.00 0.57 H new ATOM 0 HE1 PHE A 125 2.365 -6.097 7.106 1.00 0.59 H new ATOM 0 HE2 PHE A 125 5.721 -6.331 9.779 1.00 0.69 H new ATOM 0 HZ PHE A 125 4.357 -7.310 7.952 1.00 0.64 H new ATOM 1934 N LEU A 126 3.453 -2.844 13.163 1.00 0.35 N ATOM 1935 CA LEU A 126 4.131 -3.529 14.300 1.00 0.45 C ATOM 1936 C LEU A 126 3.117 -3.883 15.388 1.00 0.47 C ATOM 1937 O LEU A 126 3.061 -5.001 15.860 1.00 0.55 O ATOM 1938 CB LEU A 126 5.147 -2.518 14.826 1.00 0.50 C ATOM 1939 CG LEU A 126 6.149 -2.175 13.723 1.00 0.51 C ATOM 1940 CD1 LEU A 126 7.142 -1.133 14.242 1.00 0.62 C ATOM 1941 CD2 LEU A 126 6.909 -3.439 13.317 1.00 0.56 C ATOM 0 H LEU A 126 3.656 -1.849 13.070 1.00 0.35 H new ATOM 0 HA LEU A 126 4.605 -4.461 13.993 1.00 0.45 H new ATOM 0 HB2 LEU A 126 4.636 -1.615 15.161 1.00 0.50 H new ATOM 0 HB3 LEU A 126 5.669 -2.928 15.690 1.00 0.50 H new ATOM 0 HG LEU A 126 5.617 -1.774 12.860 1.00 0.51 H new ATOM 0 HD11 LEU A 126 7.857 -0.888 13.456 1.00 0.62 H new ATOM 0 HD12 LEU A 126 6.604 -0.232 14.536 1.00 0.62 H new ATOM 0 HD13 LEU A 126 7.674 -1.535 15.104 1.00 0.62 H new ATOM 0 HD21 LEU A 126 7.624 -3.197 12.531 1.00 0.56 H new ATOM 0 HD22 LEU A 126 7.441 -3.837 14.181 1.00 0.56 H new ATOM 0 HD23 LEU A 126 6.204 -4.185 12.949 1.00 0.56 H new ATOM 1953 N ARG A 127 2.319 -2.936 15.792 1.00 0.47 N ATOM 1954 CA ARG A 127 1.310 -3.213 16.851 1.00 0.56 C ATOM 1955 C ARG A 127 0.346 -4.313 16.396 1.00 0.51 C ATOM 1956 O ARG A 127 -0.110 -5.114 17.187 1.00 0.58 O ATOM 1957 CB ARG A 127 0.576 -1.888 17.048 1.00 0.65 C ATOM 1958 CG ARG A 127 1.553 -0.852 17.607 1.00 1.33 C ATOM 1959 CD ARG A 127 0.788 0.403 18.029 1.00 1.65 C ATOM 1960 NE ARG A 127 0.117 0.881 16.787 1.00 2.14 N ATOM 1961 CZ ARG A 127 -1.112 0.523 16.506 1.00 2.66 C ATOM 1962 NH1 ARG A 127 -1.778 -0.264 17.307 1.00 2.99 N ATOM 1963 NH2 ARG A 127 -1.674 0.954 15.412 1.00 3.26 N ATOM 0 H ARG A 127 2.322 -1.981 15.434 1.00 0.47 H new ATOM 0 HA ARG A 127 1.765 -3.566 17.777 1.00 0.56 H new ATOM 0 HB2 ARG A 127 0.163 -1.542 16.100 1.00 0.65 H new ATOM 0 HB3 ARG A 127 -0.263 -2.021 17.731 1.00 0.65 H new ATOM 0 HG2 ARG A 127 2.089 -1.267 18.461 1.00 1.33 H new ATOM 0 HG3 ARG A 127 2.299 -0.599 16.854 1.00 1.33 H new ATOM 0 HD2 ARG A 127 0.061 0.178 18.809 1.00 1.65 H new ATOM 0 HD3 ARG A 127 1.462 1.160 18.430 1.00 1.65 H new ATOM 0 HE ARG A 127 0.621 1.495 16.147 1.00 2.14 H new ATOM 0 HH11 ARG A 127 -1.342 -0.608 18.163 1.00 2.99 H new ATOM 0 HH12 ARG A 127 -2.734 -0.535 17.077 1.00 2.99 H new ATOM 0 HH21 ARG A 127 -1.158 1.566 14.780 1.00 3.26 H new ATOM 0 HH22 ARG A 127 -2.630 0.679 15.187 1.00 3.26 H new ATOM 1977 N LEU A 128 0.033 -4.361 15.129 1.00 0.46 N ATOM 1978 CA LEU A 128 -0.903 -5.414 14.636 1.00 0.47 C ATOM 1979 C LEU A 128 -0.136 -6.692 14.282 1.00 0.42 C ATOM 1980 O LEU A 128 -0.723 -7.701 13.943 1.00 0.46 O ATOM 1981 CB LEU A 128 -1.564 -4.816 13.392 1.00 0.53 C ATOM 1982 CG LEU A 128 -2.892 -4.168 13.787 1.00 0.73 C ATOM 1983 CD1 LEU A 128 -2.622 -2.907 14.610 1.00 1.28 C ATOM 1984 CD2 LEU A 128 -3.674 -3.792 12.526 1.00 0.85 C ATOM 0 H LEU A 128 0.383 -3.720 14.417 1.00 0.46 H new ATOM 0 HA LEU A 128 -1.639 -5.691 15.391 1.00 0.47 H new ATOM 0 HB2 LEU A 128 -0.906 -4.076 12.937 1.00 0.53 H new ATOM 0 HB3 LEU A 128 -1.733 -5.593 12.647 1.00 0.53 H new ATOM 0 HG LEU A 128 -3.474 -4.873 14.380 1.00 0.73 H new ATOM 0 HD11 LEU A 128 -3.569 -2.446 14.891 1.00 1.28 H new ATOM 0 HD12 LEU A 128 -2.066 -3.172 15.510 1.00 1.28 H new ATOM 0 HD13 LEU A 128 -2.038 -2.203 14.017 1.00 1.28 H new ATOM 0 HD21 LEU A 128 -4.620 -3.330 12.809 1.00 0.85 H new ATOM 0 HD22 LEU A 128 -3.090 -3.089 11.932 1.00 0.85 H new ATOM 0 HD23 LEU A 128 -3.869 -4.689 11.938 1.00 0.85 H new ATOM 1996 N ALA A 129 1.166 -6.666 14.360 1.00 0.46 N ATOM 1997 CA ALA A 129 1.954 -7.893 14.029 1.00 0.50 C ATOM 1998 C ALA A 129 1.816 -8.926 15.157 1.00 0.57 C ATOM 1999 O ALA A 129 1.886 -8.576 16.318 1.00 0.63 O ATOM 2000 CB ALA A 129 3.403 -7.414 13.922 1.00 0.58 C ATOM 0 H ALA A 129 1.718 -5.854 14.637 1.00 0.46 H new ATOM 0 HA ALA A 129 1.612 -8.371 13.111 1.00 0.50 H new ATOM 0 HB1 ALA A 129 4.048 -8.258 13.680 1.00 0.58 H new ATOM 0 HB2 ALA A 129 3.481 -6.662 13.137 1.00 0.58 H new ATOM 0 HB3 ALA A 129 3.714 -6.980 14.872 1.00 0.58 H new ATOM 2006 N PRO A 130 1.627 -10.170 14.786 1.00 0.60 N ATOM 2007 CA PRO A 130 1.548 -10.555 13.354 1.00 0.58 C ATOM 2008 C PRO A 130 0.208 -10.104 12.777 1.00 0.50 C ATOM 2009 O PRO A 130 -0.841 -10.458 13.279 1.00 0.58 O ATOM 2010 CB PRO A 130 1.627 -12.079 13.386 1.00 0.69 C ATOM 2011 CG PRO A 130 1.122 -12.459 14.739 1.00 0.74 C ATOM 2012 CD PRO A 130 1.471 -11.329 15.672 1.00 0.71 C ATOM 0 HA PRO A 130 2.329 -10.106 12.740 1.00 0.58 H new ATOM 0 HB2 PRO A 130 1.019 -12.523 12.598 1.00 0.69 H new ATOM 0 HB3 PRO A 130 2.649 -12.425 13.234 1.00 0.69 H new ATOM 0 HG2 PRO A 130 0.044 -12.622 14.717 1.00 0.74 H new ATOM 0 HG3 PRO A 130 1.579 -13.391 15.074 1.00 0.74 H new ATOM 0 HD2 PRO A 130 0.686 -11.164 16.410 1.00 0.71 H new ATOM 0 HD3 PRO A 130 2.388 -11.536 16.223 1.00 0.71 H new ATOM 2020 N VAL A 131 0.228 -9.327 11.736 1.00 0.55 N ATOM 2021 CA VAL A 131 -1.056 -8.859 11.148 1.00 0.54 C ATOM 2022 C VAL A 131 -1.850 -10.041 10.595 1.00 0.55 C ATOM 2023 O VAL A 131 -1.311 -11.093 10.316 1.00 0.60 O ATOM 2024 CB VAL A 131 -0.672 -7.907 10.018 1.00 0.59 C ATOM 2025 CG1 VAL A 131 -1.880 -7.044 9.654 1.00 1.03 C ATOM 2026 CG2 VAL A 131 0.482 -7.005 10.465 1.00 1.08 C ATOM 0 H VAL A 131 1.071 -8.996 11.267 1.00 0.55 H new ATOM 0 HA VAL A 131 -1.683 -8.369 11.893 1.00 0.54 H new ATOM 0 HB VAL A 131 -0.357 -8.486 9.150 1.00 0.59 H new ATOM 0 HG11 VAL A 131 -1.610 -6.362 8.847 1.00 1.03 H new ATOM 0 HG12 VAL A 131 -2.700 -7.684 9.329 1.00 1.03 H new ATOM 0 HG13 VAL A 131 -2.192 -6.469 10.526 1.00 1.03 H new ATOM 0 HG21 VAL A 131 0.750 -6.329 9.654 1.00 1.08 H new ATOM 0 HG22 VAL A 131 0.174 -6.424 11.335 1.00 1.08 H new ATOM 0 HG23 VAL A 131 1.344 -7.619 10.725 1.00 1.08 H new ATOM 2036 N GLU A 132 -3.130 -9.866 10.434 1.00 0.56 N ATOM 2037 CA GLU A 132 -3.980 -10.966 9.896 1.00 0.61 C ATOM 2038 C GLU A 132 -4.212 -10.757 8.398 1.00 0.56 C ATOM 2039 O GLU A 132 -5.119 -10.058 7.993 1.00 0.66 O ATOM 2040 CB GLU A 132 -5.297 -10.844 10.664 1.00 0.74 C ATOM 2041 CG GLU A 132 -5.040 -11.078 12.154 1.00 1.28 C ATOM 2042 CD GLU A 132 -6.349 -10.928 12.932 1.00 1.53 C ATOM 2043 OE1 GLU A 132 -7.334 -10.538 12.327 1.00 2.08 O ATOM 2044 OE2 GLU A 132 -6.343 -11.207 14.120 1.00 1.91 O ATOM 0 H GLU A 132 -3.629 -9.003 10.653 1.00 0.56 H new ATOM 0 HA GLU A 132 -3.524 -11.949 10.015 1.00 0.61 H new ATOM 0 HB2 GLU A 132 -5.731 -9.856 10.509 1.00 0.74 H new ATOM 0 HB3 GLU A 132 -6.018 -11.571 10.289 1.00 0.74 H new ATOM 0 HG2 GLU A 132 -4.625 -12.074 12.309 1.00 1.28 H new ATOM 0 HG3 GLU A 132 -4.303 -10.365 12.522 1.00 1.28 H new ATOM 2051 N THR A 133 -3.400 -11.356 7.570 1.00 0.51 N ATOM 2052 CA THR A 133 -3.581 -11.185 6.100 1.00 0.54 C ATOM 2053 C THR A 133 -4.624 -12.171 5.574 1.00 0.78 C ATOM 2054 O THR A 133 -4.298 -13.172 4.969 1.00 1.39 O ATOM 2055 CB THR A 133 -2.210 -11.476 5.492 1.00 0.45 C ATOM 2056 OG1 THR A 133 -1.514 -12.403 6.316 1.00 0.56 O ATOM 2057 CG2 THR A 133 -1.416 -10.172 5.384 1.00 0.29 C ATOM 0 H THR A 133 -2.622 -11.954 7.846 1.00 0.51 H new ATOM 0 HA THR A 133 -3.935 -10.186 5.844 1.00 0.54 H new ATOM 0 HB THR A 133 -2.331 -11.905 4.497 1.00 0.45 H new ATOM 0 HG1 THR A 133 -0.635 -12.592 5.926 1.00 0.56 H new ATOM 0 HG21 THR A 133 -0.437 -10.377 4.950 1.00 0.29 H new ATOM 0 HG22 THR A 133 -1.955 -9.470 4.748 1.00 0.29 H new ATOM 0 HG23 THR A 133 -1.290 -9.740 6.377 1.00 0.29 H new ATOM 2065 N MET A 134 -5.877 -11.893 5.801 1.00 0.78 N ATOM 2066 CA MET A 134 -6.947 -12.811 5.318 1.00 0.95 C ATOM 2067 C MET A 134 -6.883 -12.947 3.793 1.00 0.80 C ATOM 2068 O MET A 134 -7.236 -13.968 3.237 1.00 1.25 O ATOM 2069 CB MET A 134 -8.255 -12.140 5.742 1.00 1.40 C ATOM 2070 CG MET A 134 -8.352 -12.127 7.270 1.00 1.91 C ATOM 2071 SD MET A 134 -9.955 -11.449 7.775 1.00 2.64 S ATOM 2072 CE MET A 134 -9.656 -9.731 7.285 1.00 2.57 C ATOM 0 H MET A 134 -6.208 -11.068 6.301 1.00 0.78 H new ATOM 0 HA MET A 134 -6.848 -13.816 5.728 1.00 0.95 H new ATOM 0 HB2 MET A 134 -8.295 -11.121 5.356 1.00 1.40 H new ATOM 0 HB3 MET A 134 -9.105 -12.675 5.318 1.00 1.40 H new ATOM 0 HG2 MET A 134 -8.235 -13.138 7.660 1.00 1.91 H new ATOM 0 HG3 MET A 134 -7.544 -11.528 7.690 1.00 1.91 H new ATOM 0 HE1 MET A 134 -10.338 -9.074 7.826 1.00 2.57 H new ATOM 0 HE2 MET A 134 -8.627 -9.459 7.520 1.00 2.57 H new ATOM 0 HE3 MET A 134 -9.823 -9.624 6.213 1.00 2.57 H new ATOM 2082 N ALA A 135 -6.435 -11.926 3.113 1.00 0.78 N ATOM 2083 CA ALA A 135 -6.352 -11.996 1.625 1.00 1.20 C ATOM 2084 C ALA A 135 -7.741 -12.250 1.032 1.00 2.24 C ATOM 2085 O ALA A 135 -7.950 -13.329 0.504 1.00 2.95 O ATOM 2086 CB ALA A 135 -5.418 -13.171 1.328 1.00 0.63 C ATOM 0 H ALA A 135 -6.123 -11.046 3.524 1.00 0.78 H new ATOM 0 HA ALA A 135 -5.983 -11.067 1.189 1.00 1.20 H new ATOM 0 HB1 ALA A 135 -5.308 -13.285 0.250 1.00 0.63 H new ATOM 0 HB2 ALA A 135 -4.442 -12.982 1.774 1.00 0.63 H new ATOM 0 HB3 ALA A 135 -5.838 -14.085 1.748 1.00 0.63 H new TER 2092 ALA A 135 END