USER MOD reduce.3.24.130724 H: found=0, std=0, add=1297, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1300 hydrogens (0 hets) HEADER HYDROLASE RECEPTOR 05-MAY-16 2ND4 TITLE A DISTINCT SORTASE SRTB ANCHORS AND PROCESSES A STREPTOCOCCAL ADHESIN TITLE 2 ABPA WITH A NOVEL STRUCTURAL PROPERTY COMPND MOL_ID: 1; COMPND 2 MOLECULE: AMYLASE-BINDING PROTEIN ABPA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 25-197; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PARASANGUINIS FW213; SOURCE 3 ORGANISM_TAXID: 1114965; SOURCE 4 GENE: ABPA, SPAF_0022, UA01_01996; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET-SUMO KEYWDS NOVEL FOLD, HYDROLASE RECEPTOR EXPDTA SOLUTION NMR AUTHOR B.LIU,F.ZHU,H.WU,S.MATTHEWS REVDAT 1 07-SEP-16 2ND4 0 JRNL AUTH X.LIANG,B.LIU,F.ZHU,F.A.SCANNAPIECO,E.M.HAASE,S.MATTHEWS, JRNL AUTH 2 H.WU JRNL TITL A DISTINCT SORTASE SRTB ANCHORS AND PROCESSES A JRNL TITL 2 STREPTOCOCCAL ADHESIN ABPA WITH A NOVEL STRUCTURAL PROPERTY. JRNL REF SCI REP V. 6 30966 2016 JRNL REFN ESSN 2045-2322 JRNL PMID 27492581 JRNL DOI 10.1038/SREP30966 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ND4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-MAY-16. REMARK 100 THE RCSB ID CODE IS RCSB104714. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 50 MM SODIUM CHLORIDE, 100 MM REMARK 210 POTASSIUM PHOSPHATE, 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D CBCA(CO)NH; REMARK 210 3D HNCACB; 3D HNCO; 3D 1H-15N REMARK 210 NOESY; 3D 1H-13C NOESY; 3D HCCH- REMARK 210 TOCSY; 3D HBHA(CO)NH; (H)CC(CO)NH REMARK 210 -TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRVIEW, ARIA REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 H GLU A 15 OD2 ASP A 123 1.54 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 16 106.69 171.01 REMARK 500 ALA A 19 -37.14 -149.73 REMARK 500 LYS A 26 134.76 69.73 REMARK 500 ASN A 120 -77.50 -67.42 REMARK 500 ALA A 126 -64.11 -172.98 REMARK 500 VAL A 127 -73.96 -91.95 REMARK 500 GLU A 128 -87.85 -141.83 REMARK 500 ALA A 181 -47.87 -166.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19866 RELATED DB: BMRB DBREF 2ND4 A 14 186 UNP I1ZJ30 I1ZJ30_STRPA 25 197 SEQRES 1 A 173 GLY GLU ASN PRO SER ALA SER ASN GLN LEU ILE GLN LYS SEQRES 2 A 173 LYS TYR VAL SER TRP ARG ASP ALA ALA ASP GLU ALA ASN SEQRES 3 A 173 THR GLN VAL ALA ALA HIS GLU ALA GLU ILE LYS GLU GLU SEQRES 4 A 173 THR LEU ARG GLN PRO GLY VAL VAL ALA ALA GLN GLN ALA SEQRES 5 A 173 LEU ASP LYS ALA ASN ALA ILE VAL GLY HIS ASP HIS GLU SEQRES 6 A 173 GLN ALA VAL LYS ARG ALA GLN GLU ASP TYR ASN THR ALA SEQRES 7 A 173 TYR ASN GLU ALA TYR ASN THR VAL ARG ASN ARG TYR ILE SEQRES 8 A 173 GLN VAL LEU GLN GLN LYS TYR ILE GLU ALA ALA LYS ALA SEQRES 9 A 173 GLN GLY ASN TYR TYR ASP GLU THR ALA VAL GLU ALA ASN SEQRES 10 A 173 ARG THR ASN GLU GLN ARG ILE ALA ASP ASP ILE LYS ALA SEQRES 11 A 173 GLN THR GLY LYS ASP VAL THR VAL THR LYS ASP GLU ASN SEQRES 12 A 173 GLY ASN TYR VAL VAL LYS ASP GLU LYS GLY ASN VAL VAL SEQRES 13 A 173 ALA THR VAL ASP LYS ASP GLY LYS THR VAL LYS ALA ASP SEQRES 14 A 173 ALA LYS ALA GLY HELIX 1 1 TRP A 31 ALA A 43 1 13 HELIX 2 2 HIS A 45 LEU A 54 1 10 HELIX 3 3 VAL A 59 ALA A 71 1 13 HELIX 4 4 HIS A 75 GLY A 119 1 45 HELIX 5 5 THR A 132 THR A 145 1 14 SHEET 1 A 3 THR A 150 LYS A 153 0 SHEET 2 A 3 TYR A 159 LYS A 162 -1 O LYS A 162 N THR A 150 SHEET 3 A 3 VAL A 168 VAL A 172 -1 O VAL A 172 N TYR A 159 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 133 ASN : amide:sc= 0.0792 X(o=0.16,f=0.17) USER MOD Set 1.2: A 159 TYR OH : rot 180:sc= 0.0786 USER MOD Set 2.1: A 132 THR OG1 : rot -78:sc= 0.911 USER MOD Set 2.2: A 135 GLN : amide:sc= 1.64 K(o=2.5,f=-1.2!) USER MOD Set 3.1: A 111 TYR OH : rot 44:sc= 1.22 USER MOD Set 3.2: A 120 ASN : amide:sc= 1.07 K(o=2.3,f=0.98) USER MOD Set 4.1: A 75 HIS : no HD1:sc= -0.128 X(o=-0.46,f=-0.22) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.336 K(o=-0.46,f=-1.9) USER MOD Set 5.1: A 16 ASN : amide:sc= 0.00999 K(o=0.17,f=-1!) USER MOD Set 5.2: A 18 SER OG : rot -173:sc= 0.159 USER MOD Single : A 20 SER OG : rot -78:sc= 1.41 USER MOD Single : A 21 ASN : amide:sc= -1.03 X(o=-1,f=-0.68) USER MOD Single : A 22 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.5) USER MOD Single : A 25 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.025) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.0298 (180deg=-0.258) USER MOD Single : A 28 TYR OH : rot 180:sc= 0.505 USER MOD Single : A 30 SER OG : rot 50:sc= -2.85! USER MOD Single : A 39 ASN : amide:sc=-0.00538 K(o=-0.0054,f=-1.8) USER MOD Single : A 40 THR OG1 : rot 74:sc= 0.254 USER MOD Single : A 41 GLN : amide:sc= -3.04! C(o=-3!,f=-0.96!) USER MOD Single : A 45 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.0207 (180deg=-0.179) USER MOD Single : A 53 THR OG1 : rot 49:sc= -2.45 USER MOD Single : A 56 GLN : amide:sc= -0.827 K(o=-0.83,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -3.99! C(o=-4!,f=-4.7!) USER MOD Single : A 64 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.74) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 77 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.18) USER MOD Single : A 85 GLN : amide:sc= -3.32! K(o=-3.3!,f=-1.2) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 90 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 92 TYR OH : rot -150:sc= -1.3 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.316 K(o=0.32,f=-0.45) USER MOD Single : A 98 THR OG1 : rot 69:sc= 0.153 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 103 TYR OH : rot -144:sc= 1.28 USER MOD Single : A 105 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0031) USER MOD Single : A 108 GLN : amide:sc= -2.01 K(o=-2,f=-4.6!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= -0.0736 (180deg=-0.303) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 121 TYR OH : rot -174:sc= -3.45! USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 132:sc= 0.471 USER MOD Single : A 130 ASN : amide:sc= 1.72 K(o=1.7,f=-4.9!) USER MOD Single : A 142 LYS NZ :NH3+ -155:sc= 2.23 (180deg=0.916) USER MOD Single : A 144 GLN : amide:sc= -4.14! C(o=-4.1!,f=-6.3!) USER MOD Single : A 145 THR OG1 : rot -164:sc= -1.7! USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -50:sc= 0.0903 USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 1.16 K(o=1.2,f=-0.051) USER MOD Single : A 158 ASN : amide:sc= -0.979 K(o=-0.98,f=-0.0073) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -157:sc= -0.173 (180deg=-1.44!) USER MOD Single : A 167 ASN : amide:sc= -0.865 K(o=-0.86,f=-0.013) USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.05) USER MOD Single : A 177 LYS NZ :NH3+ -166:sc= -0.0175 (180deg=-0.219) USER MOD Single : A 178 THR OG1 : rot -140:sc= -0.121 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 LYS NZ :NH3+ -120:sc= 1.25 (180deg=-0.0358) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 14 12.466 7.077 -2.823 1.00 6.47 N ATOM 2 CA GLY A 14 13.360 6.383 -3.786 1.00 6.03 C ATOM 3 C GLY A 14 12.978 6.644 -5.236 1.00 6.94 C ATOM 4 O GLY A 14 13.111 5.769 -6.092 1.00 7.66 O ATOM 0 HA2 GLY A 14 14.387 6.708 -3.621 1.00 6.03 H new ATOM 0 HA3 GLY A 14 13.331 5.310 -3.594 1.00 6.03 H new ATOM 10 N GLU A 15 12.527 7.862 -5.516 1.00 7.10 N ATOM 11 CA GLU A 15 12.089 8.250 -6.847 1.00 8.08 C ATOM 12 C GLU A 15 13.270 8.738 -7.678 1.00 8.59 C ATOM 13 O GLU A 15 13.588 9.932 -7.687 1.00 9.09 O ATOM 14 CB GLU A 15 11.038 9.356 -6.753 1.00 8.57 C ATOM 15 CG GLU A 15 10.363 9.654 -8.079 1.00 9.53 C ATOM 16 CD GLU A 15 9.279 10.703 -7.970 1.00 10.11 C ATOM 17 OE1 GLU A 15 8.135 10.341 -7.623 1.00 10.55 O ATOM 18 OE2 GLU A 15 9.558 11.883 -8.258 1.00 10.32 O ATOM 0 H GLU A 15 12.456 8.608 -4.824 1.00 7.10 H new ATOM 0 HA GLU A 15 11.652 7.377 -7.332 1.00 8.08 H new ATOM 0 HB2 GLU A 15 10.281 9.068 -6.024 1.00 8.57 H new ATOM 0 HB3 GLU A 15 11.509 10.265 -6.380 1.00 8.57 H new ATOM 0 HG2 GLU A 15 11.114 9.989 -8.795 1.00 9.53 H new ATOM 0 HG3 GLU A 15 9.932 8.735 -8.475 1.00 9.53 H new ATOM 25 N ASN A 16 13.899 7.811 -8.382 1.00 8.59 N ATOM 26 CA ASN A 16 15.063 8.091 -9.202 1.00 9.21 C ATOM 27 C ASN A 16 15.614 6.766 -9.655 1.00 8.90 C ATOM 28 O ASN A 16 16.184 6.021 -8.854 1.00 9.03 O ATOM 29 CB ASN A 16 16.159 8.857 -8.453 1.00 9.79 C ATOM 30 CG ASN A 16 17.229 9.364 -9.404 1.00 10.59 C ATOM 31 OD1 ASN A 16 16.943 9.705 -10.552 1.00 10.91 O ATOM 32 ND2 ASN A 16 18.469 9.408 -8.949 1.00 11.09 N ATOM 0 H ASN A 16 13.611 6.833 -8.399 1.00 8.59 H new ATOM 0 HA ASN A 16 14.755 8.725 -10.034 1.00 9.21 H new ATOM 0 HB2 ASN A 16 15.717 9.698 -7.919 1.00 9.79 H new ATOM 0 HB3 ASN A 16 16.613 8.207 -7.705 1.00 9.79 H new ATOM 0 HD21 ASN A 16 19.223 9.732 -9.555 1.00 11.09 H new ATOM 0 HD22 ASN A 16 18.672 9.118 -7.992 1.00 11.09 H new ATOM 39 N PRO A 17 15.429 6.426 -10.925 1.00 8.71 N ATOM 40 CA PRO A 17 15.777 5.118 -11.425 1.00 8.62 C ATOM 41 C PRO A 17 17.273 4.966 -11.670 1.00 8.87 C ATOM 42 O PRO A 17 17.723 4.777 -12.799 1.00 9.07 O ATOM 43 CB PRO A 17 14.962 4.982 -12.712 1.00 8.55 C ATOM 44 CG PRO A 17 14.305 6.307 -12.957 1.00 8.77 C ATOM 45 CD PRO A 17 14.885 7.286 -11.980 1.00 8.88 C ATOM 0 HA PRO A 17 15.549 4.331 -10.706 1.00 8.62 H new ATOM 0 HB2 PRO A 17 15.605 4.710 -13.549 1.00 8.55 H new ATOM 0 HB3 PRO A 17 14.216 4.194 -12.614 1.00 8.55 H new ATOM 0 HG2 PRO A 17 14.480 6.638 -13.981 1.00 8.77 H new ATOM 0 HG3 PRO A 17 13.226 6.229 -12.827 1.00 8.77 H new ATOM 0 HD2 PRO A 17 15.660 7.900 -12.438 1.00 8.88 H new ATOM 0 HD3 PRO A 17 14.126 7.966 -11.593 1.00 8.88 H new ATOM 53 N SER A 18 18.030 5.065 -10.584 1.00 9.12 N ATOM 54 CA SER A 18 19.456 4.798 -10.593 1.00 9.58 C ATOM 55 C SER A 18 19.698 3.292 -10.686 1.00 10.00 C ATOM 56 O SER A 18 20.782 2.835 -11.051 1.00 10.40 O ATOM 57 CB SER A 18 20.080 5.373 -9.318 1.00 9.72 C ATOM 58 OG SER A 18 19.851 6.770 -9.234 1.00 10.09 O ATOM 0 H SER A 18 17.667 5.334 -9.670 1.00 9.12 H new ATOM 0 HA SER A 18 19.920 5.272 -11.458 1.00 9.58 H new ATOM 0 HB2 SER A 18 19.657 4.877 -8.444 1.00 9.72 H new ATOM 0 HB3 SER A 18 21.152 5.174 -9.310 1.00 9.72 H new ATOM 0 HG SER A 18 20.342 7.137 -8.469 1.00 10.09 H new ATOM 64 N ALA A 19 18.664 2.535 -10.343 1.00 10.08 N ATOM 65 CA ALA A 19 18.681 1.088 -10.468 1.00 10.60 C ATOM 66 C ALA A 19 17.270 0.579 -10.736 1.00 9.93 C ATOM 67 O ALA A 19 17.067 -0.361 -11.502 1.00 10.15 O ATOM 68 CB ALA A 19 19.253 0.447 -9.213 1.00 11.52 C ATOM 0 H ALA A 19 17.791 2.909 -9.971 1.00 10.08 H new ATOM 0 HA ALA A 19 19.321 0.814 -11.306 1.00 10.60 H new ATOM 0 HB1 ALA A 19 19.257 -0.637 -9.327 1.00 11.52 H new ATOM 0 HB2 ALA A 19 20.273 0.799 -9.057 1.00 11.52 H new ATOM 0 HB3 ALA A 19 18.640 0.719 -8.354 1.00 11.52 H new ATOM 74 N SER A 20 16.294 1.218 -10.100 1.00 9.19 N ATOM 75 CA SER A 20 14.897 0.871 -10.303 1.00 8.49 C ATOM 76 C SER A 20 14.055 2.132 -10.424 1.00 8.00 C ATOM 77 O SER A 20 14.259 3.098 -9.691 1.00 7.94 O ATOM 78 CB SER A 20 14.376 0.045 -9.127 1.00 7.97 C ATOM 79 OG SER A 20 15.349 -0.878 -8.668 1.00 8.25 O ATOM 0 H SER A 20 16.448 1.980 -9.439 1.00 9.19 H new ATOM 0 HA SER A 20 14.823 0.288 -11.221 1.00 8.49 H new ATOM 0 HB2 SER A 20 14.091 0.710 -8.312 1.00 7.97 H new ATOM 0 HB3 SER A 20 13.477 -0.493 -9.429 1.00 7.97 H new ATOM 0 HG SER A 20 15.379 -1.649 -9.272 1.00 8.25 H new ATOM 85 N ASN A 21 13.112 2.114 -11.353 1.00 7.85 N ATOM 86 CA ASN A 21 12.121 3.181 -11.477 1.00 7.44 C ATOM 87 C ASN A 21 11.077 3.053 -10.364 1.00 6.28 C ATOM 88 O ASN A 21 10.180 3.883 -10.233 1.00 5.74 O ATOM 89 CB ASN A 21 11.463 3.110 -12.864 1.00 7.86 C ATOM 90 CG ASN A 21 10.400 4.172 -13.091 1.00 8.69 C ATOM 91 OD1 ASN A 21 9.216 3.939 -12.852 1.00 8.95 O ATOM 92 ND2 ASN A 21 10.812 5.336 -13.565 1.00 9.35 N ATOM 0 H ASN A 21 13.009 1.367 -12.040 1.00 7.85 H new ATOM 0 HA ASN A 21 12.608 4.151 -11.375 1.00 7.44 H new ATOM 0 HB2 ASN A 21 12.234 3.211 -13.628 1.00 7.86 H new ATOM 0 HB3 ASN A 21 11.014 2.125 -12.993 1.00 7.86 H new ATOM 0 HD21 ASN A 21 10.138 6.080 -13.746 1.00 9.35 H new ATOM 0 HD22 ASN A 21 11.803 5.489 -13.750 1.00 9.35 H new ATOM 99 N GLN A 22 11.232 1.991 -9.565 1.00 6.12 N ATOM 100 CA GLN A 22 10.345 1.676 -8.444 1.00 5.24 C ATOM 101 C GLN A 22 9.008 1.144 -8.963 1.00 4.96 C ATOM 102 O GLN A 22 8.046 0.978 -8.219 1.00 4.84 O ATOM 103 CB GLN A 22 10.168 2.892 -7.520 1.00 4.44 C ATOM 104 CG GLN A 22 9.524 2.573 -6.176 1.00 4.06 C ATOM 105 CD GLN A 22 9.725 3.687 -5.170 1.00 4.49 C ATOM 106 OE1 GLN A 22 10.717 3.704 -4.443 1.00 4.82 O ATOM 107 NE2 GLN A 22 8.792 4.627 -5.119 1.00 4.94 N ATOM 0 H GLN A 22 11.989 1.318 -9.682 1.00 6.12 H new ATOM 0 HA GLN A 22 10.802 0.890 -7.842 1.00 5.24 H new ATOM 0 HB2 GLN A 22 11.144 3.344 -7.343 1.00 4.44 H new ATOM 0 HB3 GLN A 22 9.560 3.637 -8.033 1.00 4.44 H new ATOM 0 HG2 GLN A 22 8.457 2.401 -6.317 1.00 4.06 H new ATOM 0 HG3 GLN A 22 9.947 1.649 -5.782 1.00 4.06 H new ATOM 0 HE21 GLN A 22 7.984 4.577 -5.739 1.00 4.94 H new ATOM 0 HE22 GLN A 22 8.882 5.400 -4.460 1.00 4.94 H new ATOM 116 N LEU A 23 8.982 0.869 -10.261 1.00 5.10 N ATOM 117 CA LEU A 23 7.877 0.168 -10.902 1.00 5.06 C ATOM 118 C LEU A 23 8.435 -0.702 -12.021 1.00 4.88 C ATOM 119 O LEU A 23 8.258 -0.412 -13.205 1.00 5.42 O ATOM 120 CB LEU A 23 6.836 1.150 -11.455 1.00 5.54 C ATOM 121 CG LEU A 23 5.981 1.869 -10.405 1.00 5.80 C ATOM 122 CD1 LEU A 23 5.095 2.913 -11.066 1.00 6.44 C ATOM 123 CD2 LEU A 23 5.129 0.872 -9.633 1.00 6.05 C ATOM 0 H LEU A 23 9.732 1.128 -10.902 1.00 5.10 H new ATOM 0 HA LEU A 23 7.373 -0.453 -10.162 1.00 5.06 H new ATOM 0 HB2 LEU A 23 7.353 1.901 -12.053 1.00 5.54 H new ATOM 0 HB3 LEU A 23 6.172 0.607 -12.128 1.00 5.54 H new ATOM 0 HG LEU A 23 6.650 2.369 -9.705 1.00 5.80 H new ATOM 0 HD11 LEU A 23 4.495 3.414 -10.307 1.00 6.44 H new ATOM 0 HD12 LEU A 23 5.717 3.646 -11.579 1.00 6.44 H new ATOM 0 HD13 LEU A 23 4.437 2.428 -11.787 1.00 6.44 H new ATOM 0 HD21 LEU A 23 4.530 1.402 -8.893 1.00 6.05 H new ATOM 0 HD22 LEU A 23 4.470 0.345 -10.323 1.00 6.05 H new ATOM 0 HD23 LEU A 23 5.776 0.154 -9.129 1.00 6.05 H new ATOM 135 N ILE A 24 9.140 -1.755 -11.631 1.00 4.37 N ATOM 136 CA ILE A 24 9.837 -2.613 -12.575 1.00 4.36 C ATOM 137 C ILE A 24 9.933 -4.032 -12.008 1.00 3.89 C ATOM 138 O ILE A 24 9.853 -4.217 -10.794 1.00 3.85 O ATOM 139 CB ILE A 24 11.256 -2.057 -12.877 1.00 4.62 C ATOM 140 CG1 ILE A 24 11.878 -2.775 -14.076 1.00 5.07 C ATOM 141 CG2 ILE A 24 12.155 -2.190 -11.662 1.00 4.77 C ATOM 142 CD1 ILE A 24 13.232 -2.231 -14.482 1.00 5.92 C ATOM 0 H ILE A 24 9.244 -2.036 -10.656 1.00 4.37 H new ATOM 0 HA ILE A 24 9.275 -2.637 -13.509 1.00 4.36 H new ATOM 0 HB ILE A 24 11.157 -0.999 -13.121 1.00 4.62 H new ATOM 0 HG12 ILE A 24 11.979 -3.834 -13.840 1.00 5.07 H new ATOM 0 HG13 ILE A 24 11.198 -2.700 -14.925 1.00 5.07 H new ATOM 0 HG21 ILE A 24 13.144 -1.795 -11.896 1.00 4.77 H new ATOM 0 HG22 ILE A 24 11.728 -1.630 -10.830 1.00 4.77 H new ATOM 0 HG23 ILE A 24 12.241 -3.241 -11.386 1.00 4.77 H new ATOM 0 HD11 ILE A 24 13.607 -2.791 -15.338 1.00 5.92 H new ATOM 0 HD12 ILE A 24 13.136 -1.179 -14.751 1.00 5.92 H new ATOM 0 HD13 ILE A 24 13.929 -2.331 -13.650 1.00 5.92 H new ATOM 154 N GLN A 25 10.065 -5.026 -12.877 1.00 3.93 N ATOM 155 CA GLN A 25 10.211 -6.407 -12.433 1.00 3.78 C ATOM 156 C GLN A 25 11.681 -6.778 -12.332 1.00 3.53 C ATOM 157 O GLN A 25 12.437 -6.594 -13.293 1.00 4.19 O ATOM 158 CB GLN A 25 9.507 -7.373 -13.386 1.00 4.77 C ATOM 159 CG GLN A 25 8.003 -7.181 -13.460 1.00 5.14 C ATOM 160 CD GLN A 25 7.321 -8.237 -14.309 1.00 5.81 C ATOM 161 OE1 GLN A 25 6.288 -7.982 -14.930 1.00 5.99 O ATOM 162 NE2 GLN A 25 7.885 -9.435 -14.340 1.00 6.46 N ATOM 0 H GLN A 25 10.074 -4.903 -13.890 1.00 3.93 H new ATOM 0 HA GLN A 25 9.747 -6.488 -11.450 1.00 3.78 H new ATOM 0 HB2 GLN A 25 9.928 -7.253 -14.384 1.00 4.77 H new ATOM 0 HB3 GLN A 25 9.717 -8.395 -13.072 1.00 4.77 H new ATOM 0 HG2 GLN A 25 7.587 -7.206 -12.453 1.00 5.14 H new ATOM 0 HG3 GLN A 25 7.786 -6.195 -13.870 1.00 5.14 H new ATOM 0 HE21 GLN A 25 8.741 -9.610 -13.813 1.00 6.46 H new ATOM 0 HE22 GLN A 25 7.464 -10.183 -14.891 1.00 6.46 H new ATOM 171 N LYS A 26 12.066 -7.297 -11.167 1.00 2.96 N ATOM 172 CA LYS A 26 13.442 -7.717 -10.886 1.00 3.01 C ATOM 173 C LYS A 26 14.384 -6.521 -10.780 1.00 3.01 C ATOM 174 O LYS A 26 14.347 -5.608 -11.609 1.00 3.25 O ATOM 175 CB LYS A 26 13.941 -8.721 -11.928 1.00 3.74 C ATOM 176 CG LYS A 26 13.184 -10.042 -11.894 1.00 3.70 C ATOM 177 CD LYS A 26 13.788 -11.064 -12.840 1.00 3.86 C ATOM 178 CE LYS A 26 13.692 -10.620 -14.290 1.00 4.47 C ATOM 179 NZ LYS A 26 14.337 -11.594 -15.208 1.00 4.57 N ATOM 0 H LYS A 26 11.428 -7.440 -10.384 1.00 2.96 H new ATOM 0 HA LYS A 26 13.436 -8.217 -9.917 1.00 3.01 H new ATOM 0 HB2 LYS A 26 13.848 -8.281 -12.921 1.00 3.74 H new ATOM 0 HB3 LYS A 26 15.001 -8.912 -11.761 1.00 3.74 H new ATOM 0 HG2 LYS A 26 13.191 -10.438 -10.879 1.00 3.70 H new ATOM 0 HG3 LYS A 26 12.142 -9.870 -12.162 1.00 3.70 H new ATOM 0 HD2 LYS A 26 14.834 -11.227 -12.579 1.00 3.86 H new ATOM 0 HD3 LYS A 26 13.276 -12.019 -12.718 1.00 3.86 H new ATOM 0 HE2 LYS A 26 12.644 -10.500 -14.565 1.00 4.47 H new ATOM 0 HE3 LYS A 26 14.165 -9.645 -14.404 1.00 4.47 H new ATOM 0 HZ1 LYS A 26 14.251 -11.257 -16.188 1.00 4.57 H new ATOM 0 HZ2 LYS A 26 15.343 -11.690 -14.962 1.00 4.57 H new ATOM 0 HZ3 LYS A 26 13.869 -12.518 -15.118 1.00 4.57 H new ATOM 193 N LYS A 27 15.233 -6.544 -9.749 1.00 3.15 N ATOM 194 CA LYS A 27 16.079 -5.400 -9.414 1.00 3.16 C ATOM 195 C LYS A 27 15.202 -4.177 -9.210 1.00 3.19 C ATOM 196 O LYS A 27 15.215 -3.233 -10.008 1.00 3.57 O ATOM 197 CB LYS A 27 17.114 -5.128 -10.505 1.00 3.59 C ATOM 198 CG LYS A 27 18.122 -6.250 -10.704 1.00 3.77 C ATOM 199 CD LYS A 27 18.690 -6.732 -9.378 1.00 4.24 C ATOM 200 CE LYS A 27 19.955 -7.551 -9.570 1.00 4.61 C ATOM 201 NZ LYS A 27 21.090 -6.716 -10.040 1.00 4.89 N ATOM 0 H LYS A 27 15.351 -7.347 -9.131 1.00 3.15 H new ATOM 0 HA LYS A 27 16.622 -5.628 -8.497 1.00 3.16 H new ATOM 0 HB2 LYS A 27 16.594 -4.951 -11.447 1.00 3.59 H new ATOM 0 HB3 LYS A 27 17.651 -4.212 -10.260 1.00 3.59 H new ATOM 0 HG2 LYS A 27 17.644 -7.083 -11.220 1.00 3.77 H new ATOM 0 HG3 LYS A 27 18.933 -5.902 -11.343 1.00 3.77 H new ATOM 0 HD2 LYS A 27 18.906 -5.874 -8.742 1.00 4.24 H new ATOM 0 HD3 LYS A 27 17.943 -7.333 -8.860 1.00 4.24 H new ATOM 0 HE2 LYS A 27 20.223 -8.031 -8.629 1.00 4.61 H new ATOM 0 HE3 LYS A 27 19.767 -8.346 -10.291 1.00 4.61 H new ATOM 0 HZ1 LYS A 27 21.984 -7.219 -9.871 1.00 4.89 H new ATOM 0 HZ2 LYS A 27 20.985 -6.529 -11.058 1.00 4.89 H new ATOM 0 HZ3 LYS A 27 21.096 -5.815 -9.521 1.00 4.89 H new ATOM 215 N TYR A 28 14.432 -4.210 -8.140 1.00 2.89 N ATOM 216 CA TYR A 28 13.374 -3.246 -7.948 1.00 3.03 C ATOM 217 C TYR A 28 13.199 -2.878 -6.484 1.00 2.60 C ATOM 218 O TYR A 28 13.104 -3.750 -5.614 1.00 2.18 O ATOM 219 CB TYR A 28 12.089 -3.833 -8.538 1.00 3.44 C ATOM 220 CG TYR A 28 10.790 -3.392 -7.891 1.00 3.84 C ATOM 221 CD1 TYR A 28 10.220 -2.155 -8.164 1.00 4.12 C ATOM 222 CD2 TYR A 28 10.120 -4.241 -7.023 1.00 4.10 C ATOM 223 CE1 TYR A 28 9.018 -1.781 -7.581 1.00 4.60 C ATOM 224 CE2 TYR A 28 8.922 -3.879 -6.447 1.00 4.58 C ATOM 225 CZ TYR A 28 8.376 -2.649 -6.727 1.00 4.81 C ATOM 226 OH TYR A 28 7.179 -2.287 -6.156 1.00 5.36 O ATOM 0 H TYR A 28 14.522 -4.896 -7.391 1.00 2.89 H new ATOM 0 HA TYR A 28 13.629 -2.317 -8.459 1.00 3.03 H new ATOM 0 HB2 TYR A 28 12.049 -3.575 -9.596 1.00 3.44 H new ATOM 0 HB3 TYR A 28 12.150 -4.920 -8.477 1.00 3.44 H new ATOM 0 HD1 TYR A 28 10.719 -1.476 -8.839 1.00 4.12 H new ATOM 0 HD2 TYR A 28 10.546 -5.206 -6.794 1.00 4.10 H new ATOM 0 HE1 TYR A 28 8.588 -0.814 -7.796 1.00 4.60 H new ATOM 0 HE2 TYR A 28 8.414 -4.558 -5.779 1.00 4.58 H new ATOM 0 HH TYR A 28 6.858 -3.012 -5.580 1.00 5.36 H new ATOM 236 N VAL A 29 13.136 -1.578 -6.233 1.00 2.77 N ATOM 237 CA VAL A 29 12.836 -1.066 -4.909 1.00 2.46 C ATOM 238 C VAL A 29 11.337 -0.889 -4.814 1.00 2.66 C ATOM 239 O VAL A 29 10.717 -0.344 -5.719 1.00 2.96 O ATOM 240 CB VAL A 29 13.542 0.282 -4.624 1.00 2.30 C ATOM 241 CG1 VAL A 29 13.215 1.307 -5.700 1.00 2.64 C ATOM 242 CG2 VAL A 29 13.148 0.814 -3.250 1.00 2.07 C ATOM 0 H VAL A 29 13.290 -0.856 -6.937 1.00 2.77 H new ATOM 0 HA VAL A 29 13.202 -1.775 -4.166 1.00 2.46 H new ATOM 0 HB VAL A 29 14.618 0.106 -4.635 1.00 2.30 H new ATOM 0 HG11 VAL A 29 13.723 2.245 -5.476 1.00 2.64 H new ATOM 0 HG12 VAL A 29 13.548 0.936 -6.669 1.00 2.64 H new ATOM 0 HG13 VAL A 29 12.138 1.475 -5.727 1.00 2.64 H new ATOM 0 HG21 VAL A 29 13.654 1.762 -3.068 1.00 2.07 H new ATOM 0 HG22 VAL A 29 12.069 0.966 -3.214 1.00 2.07 H new ATOM 0 HG23 VAL A 29 13.438 0.095 -2.484 1.00 2.07 H new ATOM 252 N SER A 30 10.759 -1.383 -3.737 1.00 2.60 N ATOM 253 CA SER A 30 9.320 -1.481 -3.643 1.00 2.93 C ATOM 254 C SER A 30 8.649 -0.116 -3.716 1.00 2.94 C ATOM 255 O SER A 30 9.173 0.893 -3.240 1.00 2.63 O ATOM 256 CB SER A 30 8.946 -2.185 -2.339 1.00 2.96 C ATOM 257 OG SER A 30 7.556 -2.106 -2.086 1.00 3.38 O ATOM 0 H SER A 30 11.264 -1.721 -2.918 1.00 2.60 H new ATOM 0 HA SER A 30 8.963 -2.060 -4.495 1.00 2.93 H new ATOM 0 HB2 SER A 30 9.249 -3.231 -2.389 1.00 2.96 H new ATOM 0 HB3 SER A 30 9.494 -1.734 -1.511 1.00 2.96 H new ATOM 0 HG SER A 30 7.062 -2.383 -2.885 1.00 3.38 H new ATOM 263 N TRP A 31 7.443 -0.148 -4.264 1.00 3.35 N ATOM 264 CA TRP A 31 6.570 1.009 -4.394 1.00 3.45 C ATOM 265 C TRP A 31 6.168 1.508 -3.007 1.00 3.17 C ATOM 266 O TRP A 31 5.679 2.623 -2.836 1.00 3.04 O ATOM 267 CB TRP A 31 5.353 0.613 -5.238 1.00 3.97 C ATOM 268 CG TRP A 31 4.351 1.705 -5.436 1.00 4.00 C ATOM 269 CD1 TRP A 31 4.472 2.814 -6.222 1.00 4.51 C ATOM 270 CD2 TRP A 31 3.061 1.770 -4.839 1.00 3.60 C ATOM 271 NE1 TRP A 31 3.327 3.570 -6.140 1.00 4.40 N ATOM 272 CE2 TRP A 31 2.445 2.947 -5.294 1.00 3.80 C ATOM 273 CE3 TRP A 31 2.375 0.939 -3.959 1.00 3.24 C ATOM 274 CZ2 TRP A 31 1.163 3.314 -4.892 1.00 3.52 C ATOM 275 CZ3 TRP A 31 1.107 1.299 -3.558 1.00 3.08 C ATOM 276 CH2 TRP A 31 0.508 2.479 -4.024 1.00 3.13 C ATOM 0 H TRP A 31 7.034 -1.003 -4.641 1.00 3.35 H new ATOM 0 HA TRP A 31 7.085 1.828 -4.897 1.00 3.45 H new ATOM 0 HB2 TRP A 31 5.699 0.274 -6.214 1.00 3.97 H new ATOM 0 HB3 TRP A 31 4.858 -0.234 -4.763 1.00 3.97 H new ATOM 0 HD1 TRP A 31 5.338 3.061 -6.819 1.00 4.51 H new ATOM 0 HE1 TRP A 31 3.160 4.450 -6.628 1.00 4.40 H new ATOM 0 HE3 TRP A 31 2.828 0.028 -3.597 1.00 3.24 H new ATOM 0 HZ2 TRP A 31 0.702 4.222 -5.251 1.00 3.52 H new ATOM 0 HZ3 TRP A 31 0.565 0.663 -2.874 1.00 3.08 H new ATOM 0 HH2 TRP A 31 -0.488 2.734 -3.693 1.00 3.13 H new ATOM 287 N ARG A 32 6.374 0.638 -2.024 1.00 3.12 N ATOM 288 CA ARG A 32 6.068 0.911 -0.625 1.00 2.94 C ATOM 289 C ARG A 32 6.747 2.187 -0.140 1.00 2.50 C ATOM 290 O ARG A 32 6.242 2.871 0.746 1.00 2.37 O ATOM 291 CB ARG A 32 6.458 -0.304 0.227 1.00 3.10 C ATOM 292 CG ARG A 32 7.461 -0.053 1.355 1.00 3.03 C ATOM 293 CD ARG A 32 8.904 0.035 0.854 1.00 2.57 C ATOM 294 NE ARG A 32 9.870 0.174 1.949 1.00 2.71 N ATOM 295 CZ ARG A 32 10.114 1.311 2.611 1.00 2.71 C ATOM 296 NH1 ARG A 32 9.403 2.407 2.367 1.00 2.59 N ATOM 297 NH2 ARG A 32 11.065 1.337 3.530 1.00 3.18 N ATOM 0 H ARG A 32 6.764 -0.291 -2.180 1.00 3.12 H new ATOM 0 HA ARG A 32 4.996 1.079 -0.523 1.00 2.94 H new ATOM 0 HB2 ARG A 32 5.550 -0.720 0.664 1.00 3.10 H new ATOM 0 HB3 ARG A 32 6.871 -1.066 -0.434 1.00 3.10 H new ATOM 0 HG2 ARG A 32 7.201 0.874 1.867 1.00 3.03 H new ATOM 0 HG3 ARG A 32 7.384 -0.855 2.089 1.00 3.03 H new ATOM 0 HD2 ARG A 32 9.140 -0.859 0.277 1.00 2.57 H new ATOM 0 HD3 ARG A 32 9.000 0.885 0.179 1.00 2.57 H new ATOM 0 HE ARG A 32 10.394 -0.656 2.226 1.00 2.71 H new ATOM 0 HH11 ARG A 32 8.661 2.388 1.668 1.00 2.59 H new ATOM 0 HH12 ARG A 32 9.600 3.267 2.879 1.00 2.59 H new ATOM 0 HH21 ARG A 32 11.605 0.495 3.729 1.00 3.18 H new ATOM 0 HH22 ARG A 32 11.258 2.199 4.040 1.00 3.18 H new ATOM 311 N ASP A 33 7.902 2.473 -0.716 1.00 2.33 N ATOM 312 CA ASP A 33 8.630 3.717 -0.446 1.00 1.99 C ATOM 313 C ASP A 33 7.709 4.908 -0.670 1.00 1.88 C ATOM 314 O ASP A 33 7.575 5.781 0.183 1.00 1.69 O ATOM 315 CB ASP A 33 9.850 3.809 -1.372 1.00 1.98 C ATOM 316 CG ASP A 33 10.461 5.201 -1.450 1.00 1.81 C ATOM 317 OD1 ASP A 33 10.048 5.991 -2.329 1.00 1.84 O ATOM 318 OD2 ASP A 33 11.385 5.495 -0.665 1.00 1.92 O ATOM 0 H ASP A 33 8.367 1.857 -1.383 1.00 2.33 H new ATOM 0 HA ASP A 33 8.970 3.724 0.590 1.00 1.99 H new ATOM 0 HB2 ASP A 33 10.610 3.108 -1.026 1.00 1.98 H new ATOM 0 HB3 ASP A 33 9.558 3.494 -2.374 1.00 1.98 H new ATOM 323 N ALA A 34 7.059 4.899 -1.815 1.00 2.13 N ATOM 324 CA ALA A 34 6.077 5.908 -2.161 1.00 2.14 C ATOM 325 C ALA A 34 4.803 5.767 -1.329 1.00 2.10 C ATOM 326 O ALA A 34 4.325 6.731 -0.733 1.00 1.92 O ATOM 327 CB ALA A 34 5.754 5.790 -3.642 1.00 2.55 C ATOM 0 H ALA A 34 7.197 4.190 -2.535 1.00 2.13 H new ATOM 0 HA ALA A 34 6.496 6.891 -1.944 1.00 2.14 H new ATOM 0 HB1 ALA A 34 5.016 6.544 -3.915 1.00 2.55 H new ATOM 0 HB2 ALA A 34 6.662 5.943 -4.226 1.00 2.55 H new ATOM 0 HB3 ALA A 34 5.352 4.798 -3.849 1.00 2.55 H new ATOM 333 N ALA A 35 4.268 4.558 -1.292 1.00 2.33 N ATOM 334 CA ALA A 35 2.942 4.320 -0.737 1.00 2.44 C ATOM 335 C ALA A 35 2.888 4.413 0.776 1.00 2.23 C ATOM 336 O ALA A 35 2.151 5.226 1.323 1.00 2.13 O ATOM 337 CB ALA A 35 2.439 2.961 -1.168 1.00 2.83 C ATOM 0 H ALA A 35 4.733 3.720 -1.641 1.00 2.33 H new ATOM 0 HA ALA A 35 2.304 5.113 -1.127 1.00 2.44 H new ATOM 0 HB1 ALA A 35 1.447 2.790 -0.749 1.00 2.83 H new ATOM 0 HB2 ALA A 35 2.385 2.921 -2.256 1.00 2.83 H new ATOM 0 HB3 ALA A 35 3.121 2.190 -0.810 1.00 2.83 H new ATOM 343 N ASP A 36 3.672 3.587 1.445 1.00 2.24 N ATOM 344 CA ASP A 36 3.512 3.390 2.882 1.00 2.22 C ATOM 345 C ASP A 36 3.815 4.661 3.659 1.00 1.91 C ATOM 346 O ASP A 36 3.168 4.950 4.666 1.00 1.94 O ATOM 347 CB ASP A 36 4.390 2.246 3.381 1.00 2.37 C ATOM 348 CG ASP A 36 4.110 1.915 4.831 1.00 2.55 C ATOM 349 OD1 ASP A 36 3.063 1.296 5.111 1.00 2.92 O ATOM 350 OD2 ASP A 36 4.927 2.277 5.698 1.00 2.43 O ATOM 0 H ASP A 36 4.424 3.042 1.023 1.00 2.24 H new ATOM 0 HA ASP A 36 2.468 3.129 3.055 1.00 2.22 H new ATOM 0 HB2 ASP A 36 4.219 1.362 2.767 1.00 2.37 H new ATOM 0 HB3 ASP A 36 5.440 2.516 3.266 1.00 2.37 H new ATOM 355 N GLU A 37 4.780 5.432 3.179 1.00 1.69 N ATOM 356 CA GLU A 37 5.121 6.687 3.827 1.00 1.48 C ATOM 357 C GLU A 37 3.963 7.669 3.723 1.00 1.29 C ATOM 358 O GLU A 37 3.610 8.318 4.707 1.00 1.31 O ATOM 359 CB GLU A 37 6.396 7.287 3.233 1.00 1.41 C ATOM 360 CG GLU A 37 7.642 6.477 3.550 1.00 1.64 C ATOM 361 CD GLU A 37 7.778 6.184 5.032 1.00 1.86 C ATOM 362 OE1 GLU A 37 8.083 7.113 5.807 1.00 2.06 O ATOM 363 OE2 GLU A 37 7.576 5.020 5.433 1.00 2.07 O ATOM 0 H GLU A 37 5.335 5.213 2.352 1.00 1.69 H new ATOM 0 HA GLU A 37 5.310 6.484 4.881 1.00 1.48 H new ATOM 0 HB2 GLU A 37 6.285 7.362 2.151 1.00 1.41 H new ATOM 0 HB3 GLU A 37 6.523 8.301 3.612 1.00 1.41 H new ATOM 0 HG2 GLU A 37 7.612 5.538 2.998 1.00 1.64 H new ATOM 0 HG3 GLU A 37 8.523 7.020 3.207 1.00 1.64 H new ATOM 370 N ALA A 38 3.360 7.756 2.539 1.00 1.21 N ATOM 371 CA ALA A 38 2.187 8.605 2.335 1.00 1.06 C ATOM 372 C ALA A 38 0.971 8.056 3.085 1.00 1.16 C ATOM 373 O ALA A 38 0.071 8.795 3.479 1.00 1.10 O ATOM 374 CB ALA A 38 1.863 8.718 0.853 1.00 1.07 C ATOM 0 H ALA A 38 3.663 7.250 1.707 1.00 1.21 H new ATOM 0 HA ALA A 38 2.422 9.594 2.729 1.00 1.06 H new ATOM 0 HB1 ALA A 38 0.987 9.353 0.719 1.00 1.07 H new ATOM 0 HB2 ALA A 38 2.712 9.155 0.327 1.00 1.07 H new ATOM 0 HB3 ALA A 38 1.657 7.727 0.449 1.00 1.07 H new ATOM 380 N ASN A 39 0.978 6.751 3.297 1.00 1.40 N ATOM 381 CA ASN A 39 -0.164 6.027 3.845 1.00 1.61 C ATOM 382 C ASN A 39 -0.336 6.356 5.306 1.00 1.72 C ATOM 383 O ASN A 39 -1.441 6.616 5.780 1.00 1.75 O ATOM 384 CB ASN A 39 0.019 4.516 3.659 1.00 1.96 C ATOM 385 CG ASN A 39 -1.161 3.709 4.169 1.00 2.14 C ATOM 386 OD1 ASN A 39 -2.130 3.479 3.446 1.00 2.18 O ATOM 387 ND2 ASN A 39 -1.078 3.250 5.410 1.00 2.68 N ATOM 0 H ASN A 39 1.781 6.156 3.093 1.00 1.40 H new ATOM 0 HA ASN A 39 -1.061 6.335 3.308 1.00 1.61 H new ATOM 0 HB2 ASN A 39 0.169 4.301 2.601 1.00 1.96 H new ATOM 0 HB3 ASN A 39 0.922 4.198 4.180 1.00 1.96 H new ATOM 0 HD21 ASN A 39 -1.834 2.685 5.796 1.00 2.68 H new ATOM 0 HD22 ASN A 39 -0.258 3.462 5.978 1.00 2.68 H new ATOM 394 N THR A 40 0.779 6.344 6.013 1.00 1.85 N ATOM 395 CA THR A 40 0.802 6.718 7.407 1.00 2.07 C ATOM 396 C THR A 40 0.248 8.130 7.580 1.00 1.96 C ATOM 397 O THR A 40 -0.370 8.449 8.596 1.00 2.14 O ATOM 398 CB THR A 40 2.236 6.636 7.958 1.00 2.21 C ATOM 399 OG1 THR A 40 2.811 5.371 7.603 1.00 2.32 O ATOM 400 CG2 THR A 40 2.250 6.798 9.471 1.00 2.49 C ATOM 0 H THR A 40 1.688 6.075 5.636 1.00 1.85 H new ATOM 0 HA THR A 40 0.175 6.024 7.967 1.00 2.07 H new ATOM 0 HB THR A 40 2.821 7.446 7.522 1.00 2.21 H new ATOM 0 HG1 THR A 40 3.040 5.372 6.650 1.00 2.32 H new ATOM 0 HG21 THR A 40 3.276 6.736 9.834 1.00 2.49 H new ATOM 0 HG22 THR A 40 1.829 7.768 9.737 1.00 2.49 H new ATOM 0 HG23 THR A 40 1.655 6.007 9.927 1.00 2.49 H new ATOM 408 N GLN A 41 0.447 8.967 6.563 1.00 1.71 N ATOM 409 CA GLN A 41 -0.011 10.342 6.631 1.00 1.68 C ATOM 410 C GLN A 41 -1.516 10.418 6.461 1.00 1.62 C ATOM 411 O GLN A 41 -2.225 10.984 7.293 1.00 1.87 O ATOM 412 CB GLN A 41 0.628 11.209 5.554 1.00 1.53 C ATOM 413 CG GLN A 41 2.015 10.772 5.171 1.00 1.54 C ATOM 414 CD GLN A 41 2.706 11.742 4.240 1.00 1.63 C ATOM 415 OE1 GLN A 41 3.525 11.341 3.424 1.00 2.21 O ATOM 416 NE2 GLN A 41 2.387 13.024 4.357 1.00 1.94 N ATOM 0 H GLN A 41 0.918 8.715 5.694 1.00 1.71 H new ATOM 0 HA GLN A 41 0.281 10.714 7.613 1.00 1.68 H new ATOM 0 HB2 GLN A 41 -0.005 11.197 4.667 1.00 1.53 H new ATOM 0 HB3 GLN A 41 0.665 12.240 5.905 1.00 1.53 H new ATOM 0 HG2 GLN A 41 2.615 10.654 6.074 1.00 1.54 H new ATOM 0 HG3 GLN A 41 1.962 9.794 4.693 1.00 1.54 H new ATOM 0 HE21 GLN A 41 1.699 13.317 5.050 1.00 1.94 H new ATOM 0 HE22 GLN A 41 2.830 13.717 3.753 1.00 1.94 H new ATOM 425 N VAL A 42 -1.994 9.829 5.373 1.00 1.37 N ATOM 426 CA VAL A 42 -3.403 9.894 5.021 1.00 1.32 C ATOM 427 C VAL A 42 -4.263 9.274 6.114 1.00 1.63 C ATOM 428 O VAL A 42 -5.387 9.706 6.342 1.00 1.70 O ATOM 429 CB VAL A 42 -3.708 9.197 3.675 1.00 1.13 C ATOM 430 CG1 VAL A 42 -2.760 9.673 2.589 1.00 1.69 C ATOM 431 CG2 VAL A 42 -3.663 7.684 3.804 1.00 1.45 C ATOM 0 H VAL A 42 -1.421 9.298 4.717 1.00 1.37 H new ATOM 0 HA VAL A 42 -3.646 10.951 4.916 1.00 1.32 H new ATOM 0 HB VAL A 42 -4.723 9.473 3.389 1.00 1.13 H new ATOM 0 HG11 VAL A 42 -2.996 9.167 1.653 1.00 1.69 H new ATOM 0 HG12 VAL A 42 -2.869 10.750 2.457 1.00 1.69 H new ATOM 0 HG13 VAL A 42 -1.734 9.444 2.876 1.00 1.69 H new ATOM 0 HG21 VAL A 42 -3.882 7.230 2.838 1.00 1.45 H new ATOM 0 HG22 VAL A 42 -2.670 7.376 4.133 1.00 1.45 H new ATOM 0 HG23 VAL A 42 -4.404 7.359 4.534 1.00 1.45 H new ATOM 441 N ALA A 43 -3.713 8.276 6.798 1.00 1.87 N ATOM 442 CA ALA A 43 -4.449 7.536 7.811 1.00 2.20 C ATOM 443 C ALA A 43 -4.780 8.401 9.021 1.00 2.43 C ATOM 444 O ALA A 43 -5.685 8.077 9.791 1.00 2.63 O ATOM 445 CB ALA A 43 -3.666 6.305 8.236 1.00 2.56 C ATOM 0 H ALA A 43 -2.752 7.961 6.666 1.00 1.87 H new ATOM 0 HA ALA A 43 -5.394 7.223 7.368 1.00 2.20 H new ATOM 0 HB1 ALA A 43 -4.228 5.760 8.995 1.00 2.56 H new ATOM 0 HB2 ALA A 43 -3.504 5.661 7.372 1.00 2.56 H new ATOM 0 HB3 ALA A 43 -2.704 6.610 8.647 1.00 2.56 H new ATOM 451 N ALA A 44 -4.058 9.508 9.186 1.00 2.46 N ATOM 452 CA ALA A 44 -4.364 10.458 10.247 1.00 2.77 C ATOM 453 C ALA A 44 -5.725 11.088 9.995 1.00 2.75 C ATOM 454 O ALA A 44 -6.399 11.558 10.910 1.00 3.09 O ATOM 455 CB ALA A 44 -3.285 11.527 10.340 1.00 2.82 C ATOM 0 H ALA A 44 -3.263 9.766 8.601 1.00 2.46 H new ATOM 0 HA ALA A 44 -4.392 9.927 11.199 1.00 2.77 H new ATOM 0 HB1 ALA A 44 -3.533 12.226 11.139 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -2.325 11.057 10.554 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -3.223 12.064 9.394 1.00 2.82 H new ATOM 461 N HIS A 45 -6.113 11.081 8.731 1.00 2.40 N ATOM 462 CA HIS A 45 -7.414 11.558 8.303 1.00 2.42 C ATOM 463 C HIS A 45 -8.012 10.562 7.311 1.00 2.09 C ATOM 464 O HIS A 45 -8.389 10.908 6.199 1.00 1.92 O ATOM 465 CB HIS A 45 -7.302 12.968 7.698 1.00 2.48 C ATOM 466 CG HIS A 45 -6.167 13.157 6.730 1.00 2.13 C ATOM 467 ND1 HIS A 45 -4.978 13.760 7.080 1.00 2.22 N ATOM 468 CD2 HIS A 45 -6.049 12.840 5.418 1.00 1.88 C ATOM 469 CE1 HIS A 45 -4.182 13.804 6.031 1.00 2.13 C ATOM 470 NE2 HIS A 45 -4.805 13.253 5.006 1.00 1.97 N ATOM 0 H HIS A 45 -5.528 10.741 7.968 1.00 2.40 H new ATOM 0 HA HIS A 45 -8.080 11.632 9.163 1.00 2.42 H new ATOM 0 HB2 HIS A 45 -8.237 13.204 7.189 1.00 2.48 H new ATOM 0 HB3 HIS A 45 -7.191 13.687 8.509 1.00 2.48 H new ATOM 0 HD2 HIS A 45 -6.795 12.352 4.808 1.00 1.88 H new ATOM 0 HE1 HIS A 45 -3.186 14.221 6.013 1.00 2.13 H new ATOM 0 HE2 HIS A 45 -4.426 13.151 4.065 1.00 1.97 H new ATOM 479 N GLU A 46 -8.054 9.306 7.725 1.00 2.08 N ATOM 480 CA GLU A 46 -8.498 8.215 6.888 1.00 1.84 C ATOM 481 C GLU A 46 -10.007 8.265 6.654 1.00 1.81 C ATOM 482 O GLU A 46 -10.495 7.923 5.575 1.00 1.57 O ATOM 483 CB GLU A 46 -8.125 6.905 7.566 1.00 2.04 C ATOM 484 CG GLU A 46 -8.164 5.721 6.636 1.00 1.93 C ATOM 485 CD GLU A 46 -7.705 4.445 7.304 1.00 2.25 C ATOM 486 OE1 GLU A 46 -8.506 3.828 8.038 1.00 2.78 O ATOM 487 OE2 GLU A 46 -6.535 4.058 7.110 1.00 2.24 O ATOM 0 H GLU A 46 -7.777 9.017 8.663 1.00 2.08 H new ATOM 0 HA GLU A 46 -8.012 8.297 5.916 1.00 1.84 H new ATOM 0 HB2 GLU A 46 -7.124 6.994 7.988 1.00 2.04 H new ATOM 0 HB3 GLU A 46 -8.807 6.727 8.398 1.00 2.04 H new ATOM 0 HG2 GLU A 46 -9.180 5.588 6.265 1.00 1.93 H new ATOM 0 HG3 GLU A 46 -7.532 5.922 5.771 1.00 1.93 H new ATOM 494 N ALA A 47 -10.739 8.706 7.671 1.00 2.09 N ATOM 495 CA ALA A 47 -12.194 8.721 7.620 1.00 2.15 C ATOM 496 C ALA A 47 -12.702 9.676 6.545 1.00 2.01 C ATOM 497 O ALA A 47 -13.710 9.404 5.889 1.00 1.96 O ATOM 498 CB ALA A 47 -12.765 9.093 8.980 1.00 2.53 C ATOM 0 H ALA A 47 -10.346 9.059 8.543 1.00 2.09 H new ATOM 0 HA ALA A 47 -12.533 7.718 7.359 1.00 2.15 H new ATOM 0 HB1 ALA A 47 -13.854 9.101 8.928 1.00 2.53 H new ATOM 0 HB2 ALA A 47 -12.442 8.363 9.722 1.00 2.53 H new ATOM 0 HB3 ALA A 47 -12.409 10.083 9.266 1.00 2.53 H new ATOM 504 N GLU A 48 -11.990 10.783 6.354 1.00 2.01 N ATOM 505 CA GLU A 48 -12.360 11.764 5.344 1.00 2.01 C ATOM 506 C GLU A 48 -12.151 11.193 3.945 1.00 1.70 C ATOM 507 O GLU A 48 -12.850 11.561 3.000 1.00 1.74 O ATOM 508 CB GLU A 48 -11.548 13.051 5.512 1.00 2.16 C ATOM 509 CG GLU A 48 -10.092 12.929 5.095 1.00 2.34 C ATOM 510 CD GLU A 48 -9.417 14.274 4.945 1.00 2.87 C ATOM 511 OE1 GLU A 48 -9.037 14.879 5.968 1.00 3.24 O ATOM 512 OE2 GLU A 48 -9.261 14.738 3.798 1.00 3.14 O ATOM 0 H GLU A 48 -11.153 11.021 6.887 1.00 2.01 H new ATOM 0 HA GLU A 48 -13.416 12.002 5.474 1.00 2.01 H new ATOM 0 HB2 GLU A 48 -12.017 13.842 4.926 1.00 2.16 H new ATOM 0 HB3 GLU A 48 -11.590 13.360 6.556 1.00 2.16 H new ATOM 0 HG2 GLU A 48 -9.554 12.337 5.835 1.00 2.34 H new ATOM 0 HG3 GLU A 48 -10.032 12.389 4.150 1.00 2.34 H new ATOM 519 N ILE A 49 -11.188 10.285 3.832 1.00 1.48 N ATOM 520 CA ILE A 49 -10.870 9.640 2.569 1.00 1.22 C ATOM 521 C ILE A 49 -12.049 8.809 2.087 1.00 1.13 C ATOM 522 O ILE A 49 -12.479 8.918 0.939 1.00 1.09 O ATOM 523 CB ILE A 49 -9.645 8.724 2.734 1.00 1.14 C ATOM 524 CG1 ILE A 49 -8.428 9.544 3.155 1.00 1.24 C ATOM 525 CG2 ILE A 49 -9.364 7.956 1.457 1.00 1.02 C ATOM 526 CD1 ILE A 49 -7.204 8.705 3.425 1.00 1.33 C ATOM 0 H ILE A 49 -10.608 9.978 4.613 1.00 1.48 H new ATOM 0 HA ILE A 49 -10.650 10.416 1.836 1.00 1.22 H new ATOM 0 HB ILE A 49 -9.861 7.997 3.517 1.00 1.14 H new ATOM 0 HG12 ILE A 49 -8.198 10.267 2.372 1.00 1.24 H new ATOM 0 HG13 ILE A 49 -8.675 10.112 4.052 1.00 1.24 H new ATOM 0 HG21 ILE A 49 -8.493 7.316 1.601 1.00 1.02 H new ATOM 0 HG22 ILE A 49 -10.228 7.341 1.205 1.00 1.02 H new ATOM 0 HG23 ILE A 49 -9.168 8.658 0.646 1.00 1.02 H new ATOM 0 HD11 ILE A 49 -6.377 9.352 3.719 1.00 1.33 H new ATOM 0 HD12 ILE A 49 -7.416 7.999 4.228 1.00 1.33 H new ATOM 0 HD13 ILE A 49 -6.932 8.157 2.523 1.00 1.33 H new ATOM 538 N LYS A 50 -12.585 8.000 2.987 1.00 1.19 N ATOM 539 CA LYS A 50 -13.733 7.171 2.674 1.00 1.12 C ATOM 540 C LYS A 50 -14.951 8.041 2.394 1.00 1.25 C ATOM 541 O LYS A 50 -15.788 7.700 1.565 1.00 1.17 O ATOM 542 CB LYS A 50 -14.018 6.200 3.820 1.00 1.31 C ATOM 543 CG LYS A 50 -15.246 5.329 3.599 1.00 1.22 C ATOM 544 CD LYS A 50 -15.438 4.326 4.727 1.00 1.97 C ATOM 545 CE LYS A 50 -15.704 5.010 6.059 1.00 2.06 C ATOM 546 NZ LYS A 50 -16.947 5.824 6.032 1.00 2.80 N ATOM 0 H LYS A 50 -12.241 7.901 3.942 1.00 1.19 H new ATOM 0 HA LYS A 50 -13.510 6.590 1.779 1.00 1.12 H new ATOM 0 HB2 LYS A 50 -13.150 5.557 3.963 1.00 1.31 H new ATOM 0 HB3 LYS A 50 -14.149 6.768 4.741 1.00 1.31 H new ATOM 0 HG2 LYS A 50 -16.131 5.961 3.520 1.00 1.22 H new ATOM 0 HG3 LYS A 50 -15.149 4.797 2.652 1.00 1.22 H new ATOM 0 HD2 LYS A 50 -16.271 3.665 4.486 1.00 1.97 H new ATOM 0 HD3 LYS A 50 -14.549 3.701 4.812 1.00 1.97 H new ATOM 0 HE2 LYS A 50 -15.781 4.257 6.843 1.00 2.06 H new ATOM 0 HE3 LYS A 50 -14.858 5.649 6.313 1.00 2.06 H new ATOM 0 HZ1 LYS A 50 -17.200 6.104 7.001 1.00 2.80 H new ATOM 0 HZ2 LYS A 50 -16.792 6.675 5.455 1.00 2.80 H new ATOM 0 HZ3 LYS A 50 -17.720 5.263 5.621 1.00 2.80 H new ATOM 560 N GLU A 51 -15.032 9.176 3.082 1.00 1.53 N ATOM 561 CA GLU A 51 -16.157 10.091 2.934 1.00 1.78 C ATOM 562 C GLU A 51 -16.308 10.556 1.486 1.00 1.73 C ATOM 563 O GLU A 51 -17.427 10.756 1.006 1.00 1.86 O ATOM 564 CB GLU A 51 -16.011 11.290 3.869 1.00 2.10 C ATOM 565 CG GLU A 51 -17.253 12.168 3.914 1.00 2.41 C ATOM 566 CD GLU A 51 -17.194 13.215 5.003 1.00 2.71 C ATOM 567 OE1 GLU A 51 -17.390 12.859 6.184 1.00 2.78 O ATOM 568 OE2 GLU A 51 -16.956 14.396 4.686 1.00 3.14 O ATOM 0 H GLU A 51 -14.327 9.485 3.751 1.00 1.53 H new ATOM 0 HA GLU A 51 -17.061 9.548 3.209 1.00 1.78 H new ATOM 0 HB2 GLU A 51 -15.789 10.934 4.875 1.00 2.10 H new ATOM 0 HB3 GLU A 51 -15.160 11.891 3.549 1.00 2.10 H new ATOM 0 HG2 GLU A 51 -17.379 12.661 2.950 1.00 2.41 H new ATOM 0 HG3 GLU A 51 -18.130 11.540 4.068 1.00 2.41 H new ATOM 575 N GLU A 52 -15.184 10.724 0.791 1.00 1.61 N ATOM 576 CA GLU A 52 -15.212 11.139 -0.610 1.00 1.69 C ATOM 577 C GLU A 52 -15.922 10.093 -1.460 1.00 1.52 C ATOM 578 O GLU A 52 -16.509 10.409 -2.491 1.00 1.71 O ATOM 579 CB GLU A 52 -13.799 11.366 -1.150 1.00 1.72 C ATOM 580 CG GLU A 52 -12.924 12.176 -0.217 1.00 1.80 C ATOM 581 CD GLU A 52 -11.734 12.807 -0.912 1.00 2.07 C ATOM 582 OE1 GLU A 52 -11.535 12.557 -2.121 1.00 2.32 O ATOM 583 OE2 GLU A 52 -11.007 13.581 -0.254 1.00 2.28 O ATOM 0 H GLU A 52 -14.249 10.580 1.172 1.00 1.61 H new ATOM 0 HA GLU A 52 -15.758 12.081 -0.665 1.00 1.69 H new ATOM 0 HB2 GLU A 52 -13.328 10.400 -1.332 1.00 1.72 H new ATOM 0 HB3 GLU A 52 -13.863 11.876 -2.111 1.00 1.72 H new ATOM 0 HG2 GLU A 52 -13.524 12.960 0.245 1.00 1.80 H new ATOM 0 HG3 GLU A 52 -12.568 11.532 0.587 1.00 1.80 H new ATOM 590 N THR A 53 -15.872 8.848 -1.014 1.00 1.23 N ATOM 591 CA THR A 53 -16.548 7.762 -1.708 1.00 1.10 C ATOM 592 C THR A 53 -18.068 7.918 -1.625 1.00 1.20 C ATOM 593 O THR A 53 -18.786 7.569 -2.562 1.00 1.29 O ATOM 594 CB THR A 53 -16.110 6.380 -1.160 1.00 0.89 C ATOM 595 OG1 THR A 53 -15.555 5.597 -2.220 1.00 1.10 O ATOM 596 CG2 THR A 53 -17.266 5.614 -0.511 1.00 0.86 C ATOM 0 H THR A 53 -15.370 8.563 -0.173 1.00 1.23 H new ATOM 0 HA THR A 53 -16.256 7.814 -2.757 1.00 1.10 H new ATOM 0 HB THR A 53 -15.362 6.560 -0.388 1.00 0.89 H new ATOM 0 HG1 THR A 53 -14.895 6.130 -2.710 1.00 1.10 H new ATOM 0 HG21 THR A 53 -16.905 4.653 -0.144 1.00 0.86 H new ATOM 0 HG22 THR A 53 -17.665 6.194 0.321 1.00 0.86 H new ATOM 0 HG23 THR A 53 -18.052 5.449 -1.248 1.00 0.86 H new ATOM 604 N LEU A 54 -18.556 8.479 -0.523 1.00 1.31 N ATOM 605 CA LEU A 54 -19.993 8.631 -0.332 1.00 1.48 C ATOM 606 C LEU A 54 -20.524 9.818 -1.131 1.00 1.76 C ATOM 607 O LEU A 54 -21.728 10.067 -1.166 1.00 1.95 O ATOM 608 CB LEU A 54 -20.359 8.778 1.152 1.00 1.65 C ATOM 609 CG LEU A 54 -20.121 7.542 2.035 1.00 1.55 C ATOM 610 CD1 LEU A 54 -20.405 6.256 1.277 1.00 1.32 C ATOM 611 CD2 LEU A 54 -18.712 7.532 2.596 1.00 1.55 C ATOM 0 H LEU A 54 -17.984 8.832 0.244 1.00 1.31 H new ATOM 0 HA LEU A 54 -20.466 7.721 -0.701 1.00 1.48 H new ATOM 0 HB2 LEU A 54 -19.788 9.609 1.565 1.00 1.65 H new ATOM 0 HB3 LEU A 54 -21.412 9.050 1.220 1.00 1.65 H new ATOM 0 HG LEU A 54 -20.819 7.600 2.870 1.00 1.55 H new ATOM 0 HD11 LEU A 54 -20.227 5.402 1.930 1.00 1.32 H new ATOM 0 HD12 LEU A 54 -21.444 6.250 0.947 1.00 1.32 H new ATOM 0 HD13 LEU A 54 -19.748 6.192 0.409 1.00 1.32 H new ATOM 0 HD21 LEU A 54 -18.574 6.646 3.216 1.00 1.55 H new ATOM 0 HD22 LEU A 54 -17.994 7.517 1.776 1.00 1.55 H new ATOM 0 HD23 LEU A 54 -18.554 8.426 3.200 1.00 1.55 H new ATOM 623 N ARG A 55 -19.616 10.559 -1.755 1.00 1.83 N ATOM 624 CA ARG A 55 -19.998 11.639 -2.657 1.00 2.15 C ATOM 625 C ARG A 55 -19.504 11.324 -4.067 1.00 2.16 C ATOM 626 O ARG A 55 -19.656 12.125 -4.991 1.00 2.45 O ATOM 627 CB ARG A 55 -19.424 12.979 -2.180 1.00 2.37 C ATOM 628 CG ARG A 55 -17.912 13.067 -2.287 1.00 2.21 C ATOM 629 CD ARG A 55 -17.370 14.377 -1.740 1.00 2.39 C ATOM 630 NE ARG A 55 -15.922 14.475 -1.920 1.00 2.74 N ATOM 631 CZ ARG A 55 -15.144 15.356 -1.292 1.00 3.15 C ATOM 632 NH1 ARG A 55 -15.666 16.239 -0.453 1.00 3.09 N ATOM 633 NH2 ARG A 55 -13.836 15.359 -1.514 1.00 3.94 N ATOM 0 H ARG A 55 -18.609 10.432 -1.653 1.00 1.83 H new ATOM 0 HA ARG A 55 -21.085 11.722 -2.664 1.00 2.15 H new ATOM 0 HB2 ARG A 55 -19.868 13.784 -2.766 1.00 2.37 H new ATOM 0 HB3 ARG A 55 -19.716 13.141 -1.142 1.00 2.37 H new ATOM 0 HG2 ARG A 55 -17.463 12.236 -1.744 1.00 2.21 H new ATOM 0 HG3 ARG A 55 -17.617 12.962 -3.331 1.00 2.21 H new ATOM 0 HD2 ARG A 55 -17.858 15.212 -2.243 1.00 2.39 H new ATOM 0 HD3 ARG A 55 -17.612 14.458 -0.680 1.00 2.39 H new ATOM 0 HE ARG A 55 -15.478 13.826 -2.569 1.00 2.74 H new ATOM 0 HH11 ARG A 55 -16.672 16.248 -0.283 1.00 3.09 H new ATOM 0 HH12 ARG A 55 -15.062 16.909 0.023 1.00 3.09 H new ATOM 0 HH21 ARG A 55 -13.428 14.688 -2.164 1.00 3.94 H new ATOM 0 HH22 ARG A 55 -13.239 16.033 -1.034 1.00 3.94 H new ATOM 647 N GLN A 56 -18.925 10.139 -4.217 1.00 1.90 N ATOM 648 CA GLN A 56 -18.353 9.708 -5.483 1.00 1.99 C ATOM 649 C GLN A 56 -19.438 9.114 -6.371 1.00 2.15 C ATOM 650 O GLN A 56 -20.108 8.160 -5.977 1.00 2.01 O ATOM 651 CB GLN A 56 -17.261 8.665 -5.241 1.00 1.72 C ATOM 652 CG GLN A 56 -16.446 8.333 -6.477 1.00 2.34 C ATOM 653 CD GLN A 56 -15.318 7.365 -6.186 1.00 2.38 C ATOM 654 OE1 GLN A 56 -15.482 6.152 -6.292 1.00 3.00 O ATOM 655 NE2 GLN A 56 -14.165 7.894 -5.809 1.00 2.39 N ATOM 0 H GLN A 56 -18.840 9.453 -3.467 1.00 1.90 H new ATOM 0 HA GLN A 56 -17.916 10.574 -5.980 1.00 1.99 H new ATOM 0 HB2 GLN A 56 -16.591 9.029 -4.462 1.00 1.72 H new ATOM 0 HB3 GLN A 56 -17.721 7.751 -4.865 1.00 1.72 H new ATOM 0 HG2 GLN A 56 -17.101 7.905 -7.236 1.00 2.34 H new ATOM 0 HG3 GLN A 56 -16.033 9.252 -6.894 1.00 2.34 H new ATOM 0 HE21 GLN A 56 -14.069 8.907 -5.733 1.00 2.39 H new ATOM 0 HE22 GLN A 56 -13.372 7.289 -5.594 1.00 2.39 H new ATOM 664 N PRO A 57 -19.607 9.673 -7.586 1.00 2.46 N ATOM 665 CA PRO A 57 -20.667 9.275 -8.526 1.00 2.69 C ATOM 666 C PRO A 57 -20.744 7.770 -8.769 1.00 2.57 C ATOM 667 O PRO A 57 -21.804 7.248 -9.119 1.00 2.68 O ATOM 668 CB PRO A 57 -20.289 9.996 -9.815 1.00 3.03 C ATOM 669 CG PRO A 57 -19.520 11.185 -9.370 1.00 3.02 C ATOM 670 CD PRO A 57 -18.773 10.755 -8.141 1.00 2.65 C ATOM 0 HA PRO A 57 -21.650 9.535 -8.134 1.00 2.69 H new ATOM 0 HB2 PRO A 57 -19.690 9.358 -10.465 1.00 3.03 H new ATOM 0 HB3 PRO A 57 -21.174 10.286 -10.381 1.00 3.03 H new ATOM 0 HG2 PRO A 57 -18.833 11.519 -10.148 1.00 3.02 H new ATOM 0 HG3 PRO A 57 -20.185 12.021 -9.151 1.00 3.02 H new ATOM 0 HD2 PRO A 57 -17.770 10.403 -8.384 1.00 2.65 H new ATOM 0 HD3 PRO A 57 -18.660 11.576 -7.433 1.00 2.65 H new ATOM 678 N GLY A 58 -19.626 7.080 -8.602 1.00 2.41 N ATOM 679 CA GLY A 58 -19.617 5.646 -8.778 1.00 2.35 C ATOM 680 C GLY A 58 -20.131 4.897 -7.563 1.00 2.01 C ATOM 681 O GLY A 58 -21.030 4.063 -7.683 1.00 2.00 O ATOM 0 H GLY A 58 -18.726 7.488 -8.348 1.00 2.41 H new ATOM 0 HA2 GLY A 58 -20.228 5.388 -9.643 1.00 2.35 H new ATOM 0 HA3 GLY A 58 -18.601 5.319 -8.997 1.00 2.35 H new ATOM 685 N VAL A 59 -19.579 5.194 -6.388 1.00 1.75 N ATOM 686 CA VAL A 59 -19.932 4.453 -5.179 1.00 1.46 C ATOM 687 C VAL A 59 -21.332 4.812 -4.675 1.00 1.42 C ATOM 688 O VAL A 59 -22.019 3.969 -4.100 1.00 1.26 O ATOM 689 CB VAL A 59 -18.902 4.670 -4.053 1.00 1.26 C ATOM 690 CG1 VAL A 59 -19.208 3.768 -2.866 1.00 1.15 C ATOM 691 CG2 VAL A 59 -17.493 4.416 -4.564 1.00 1.37 C ATOM 0 H VAL A 59 -18.892 5.935 -6.248 1.00 1.75 H new ATOM 0 HA VAL A 59 -19.926 3.399 -5.457 1.00 1.46 H new ATOM 0 HB VAL A 59 -18.968 5.707 -3.723 1.00 1.26 H new ATOM 0 HG11 VAL A 59 -18.470 3.936 -2.082 1.00 1.15 H new ATOM 0 HG12 VAL A 59 -20.203 3.996 -2.483 1.00 1.15 H new ATOM 0 HG13 VAL A 59 -19.171 2.726 -3.182 1.00 1.15 H new ATOM 0 HG21 VAL A 59 -16.779 4.574 -3.756 1.00 1.37 H new ATOM 0 HG22 VAL A 59 -17.415 3.389 -4.922 1.00 1.37 H new ATOM 0 HG23 VAL A 59 -17.273 5.103 -5.382 1.00 1.37 H new ATOM 701 N VAL A 60 -21.761 6.053 -4.898 1.00 1.65 N ATOM 702 CA VAL A 60 -23.089 6.490 -4.453 1.00 1.75 C ATOM 703 C VAL A 60 -24.188 5.595 -5.009 1.00 1.77 C ATOM 704 O VAL A 60 -25.182 5.328 -4.335 1.00 1.70 O ATOM 705 CB VAL A 60 -23.396 7.950 -4.843 1.00 2.13 C ATOM 706 CG1 VAL A 60 -22.505 8.912 -4.076 1.00 2.17 C ATOM 707 CG2 VAL A 60 -23.253 8.167 -6.340 1.00 2.40 C ATOM 0 H VAL A 60 -21.217 6.769 -5.379 1.00 1.65 H new ATOM 0 HA VAL A 60 -23.070 6.418 -3.366 1.00 1.75 H new ATOM 0 HB VAL A 60 -24.433 8.151 -4.575 1.00 2.13 H new ATOM 0 HG11 VAL A 60 -22.739 9.936 -4.367 1.00 2.17 H new ATOM 0 HG12 VAL A 60 -22.675 8.791 -3.006 1.00 2.17 H new ATOM 0 HG13 VAL A 60 -21.460 8.700 -4.303 1.00 2.17 H new ATOM 0 HG21 VAL A 60 -23.477 9.206 -6.580 1.00 2.40 H new ATOM 0 HG22 VAL A 60 -22.233 7.935 -6.645 1.00 2.40 H new ATOM 0 HG23 VAL A 60 -23.947 7.515 -6.870 1.00 2.40 H new ATOM 717 N ALA A 61 -23.983 5.118 -6.231 1.00 1.93 N ATOM 718 CA ALA A 61 -24.935 4.244 -6.906 1.00 2.02 C ATOM 719 C ALA A 61 -25.238 2.990 -6.086 1.00 1.66 C ATOM 720 O ALA A 61 -26.307 2.397 -6.224 1.00 1.68 O ATOM 721 CB ALA A 61 -24.412 3.863 -8.282 1.00 2.29 C ATOM 0 H ALA A 61 -23.151 5.327 -6.783 1.00 1.93 H new ATOM 0 HA ALA A 61 -25.869 4.795 -7.016 1.00 2.02 H new ATOM 0 HB1 ALA A 61 -25.131 3.210 -8.777 1.00 2.29 H new ATOM 0 HB2 ALA A 61 -24.269 4.764 -8.879 1.00 2.29 H new ATOM 0 HB3 ALA A 61 -23.460 3.342 -8.178 1.00 2.29 H new ATOM 727 N ALA A 62 -24.296 2.586 -5.242 1.00 1.37 N ATOM 728 CA ALA A 62 -24.504 1.453 -4.355 1.00 1.06 C ATOM 729 C ALA A 62 -25.530 1.801 -3.279 1.00 0.87 C ATOM 730 O ALA A 62 -26.481 1.054 -3.055 1.00 0.80 O ATOM 731 CB ALA A 62 -23.187 1.019 -3.730 1.00 0.93 C ATOM 0 H ALA A 62 -23.381 3.028 -5.155 1.00 1.37 H new ATOM 0 HA ALA A 62 -24.893 0.619 -4.939 1.00 1.06 H new ATOM 0 HB1 ALA A 62 -23.360 0.170 -3.069 1.00 0.93 H new ATOM 0 HB2 ALA A 62 -22.489 0.730 -4.516 1.00 0.93 H new ATOM 0 HB3 ALA A 62 -22.767 1.845 -3.157 1.00 0.93 H new ATOM 737 N GLN A 63 -25.347 2.955 -2.639 1.00 0.98 N ATOM 738 CA GLN A 63 -26.287 3.430 -1.621 1.00 1.16 C ATOM 739 C GLN A 63 -27.675 3.554 -2.215 1.00 1.39 C ATOM 740 O GLN A 63 -28.675 3.153 -1.613 1.00 1.44 O ATOM 741 CB GLN A 63 -25.882 4.804 -1.097 1.00 1.45 C ATOM 742 CG GLN A 63 -24.466 4.892 -0.584 1.00 1.39 C ATOM 743 CD GLN A 63 -24.164 6.245 0.027 1.00 1.64 C ATOM 744 OE1 GLN A 63 -23.386 6.352 0.969 1.00 2.25 O ATOM 745 NE2 GLN A 63 -24.773 7.292 -0.505 1.00 1.96 N ATOM 0 H GLN A 63 -24.558 3.579 -2.806 1.00 0.98 H new ATOM 0 HA GLN A 63 -26.277 2.707 -0.805 1.00 1.16 H new ATOM 0 HB2 GLN A 63 -26.010 5.535 -1.896 1.00 1.45 H new ATOM 0 HB3 GLN A 63 -26.563 5.087 -0.294 1.00 1.45 H new ATOM 0 HG2 GLN A 63 -24.302 4.114 0.161 1.00 1.39 H new ATOM 0 HG3 GLN A 63 -23.772 4.701 -1.402 1.00 1.39 H new ATOM 0 HE21 GLN A 63 -25.414 7.166 -1.288 1.00 1.96 H new ATOM 0 HE22 GLN A 63 -24.601 8.226 -0.132 1.00 1.96 H new ATOM 754 N GLN A 64 -27.702 4.128 -3.405 1.00 1.61 N ATOM 755 CA GLN A 64 -28.935 4.369 -4.135 1.00 1.91 C ATOM 756 C GLN A 64 -29.669 3.064 -4.413 1.00 1.72 C ATOM 757 O GLN A 64 -30.892 2.993 -4.308 1.00 1.82 O ATOM 758 CB GLN A 64 -28.620 5.085 -5.447 1.00 2.26 C ATOM 759 CG GLN A 64 -27.795 6.351 -5.260 1.00 2.46 C ATOM 760 CD GLN A 64 -28.497 7.378 -4.391 1.00 2.81 C ATOM 761 OE1 GLN A 64 -29.724 7.440 -4.349 1.00 2.97 O ATOM 762 NE2 GLN A 64 -27.727 8.197 -3.700 1.00 3.45 N ATOM 0 H GLN A 64 -26.864 4.442 -3.895 1.00 1.61 H new ATOM 0 HA GLN A 64 -29.584 4.997 -3.524 1.00 1.91 H new ATOM 0 HB2 GLN A 64 -28.082 4.403 -6.105 1.00 2.26 H new ATOM 0 HB3 GLN A 64 -29.554 5.339 -5.947 1.00 2.26 H new ATOM 0 HG2 GLN A 64 -26.836 6.093 -4.810 1.00 2.46 H new ATOM 0 HG3 GLN A 64 -27.582 6.789 -6.235 1.00 2.46 H new ATOM 0 HE21 GLN A 64 -26.712 8.115 -3.760 1.00 3.45 H new ATOM 0 HE22 GLN A 64 -28.147 8.912 -3.106 1.00 3.45 H new ATOM 771 N ALA A 65 -28.910 2.029 -4.747 1.00 1.48 N ATOM 772 CA ALA A 65 -29.484 0.731 -5.057 1.00 1.36 C ATOM 773 C ALA A 65 -29.899 -0.001 -3.788 1.00 1.05 C ATOM 774 O ALA A 65 -30.834 -0.803 -3.802 1.00 1.04 O ATOM 775 CB ALA A 65 -28.498 -0.107 -5.853 1.00 1.42 C ATOM 0 H ALA A 65 -27.893 2.066 -4.810 1.00 1.48 H new ATOM 0 HA ALA A 65 -30.376 0.892 -5.662 1.00 1.36 H new ATOM 0 HB1 ALA A 65 -28.943 -1.077 -6.078 1.00 1.42 H new ATOM 0 HB2 ALA A 65 -28.254 0.405 -6.784 1.00 1.42 H new ATOM 0 HB3 ALA A 65 -27.589 -0.251 -5.269 1.00 1.42 H new ATOM 781 N LEU A 66 -29.205 0.280 -2.689 1.00 0.88 N ATOM 782 CA LEU A 66 -29.524 -0.348 -1.416 1.00 0.78 C ATOM 783 C LEU A 66 -30.934 0.038 -0.994 1.00 1.06 C ATOM 784 O LEU A 66 -31.703 -0.807 -0.551 1.00 1.10 O ATOM 785 CB LEU A 66 -28.502 0.045 -0.336 1.00 0.77 C ATOM 786 CG LEU A 66 -28.339 -0.951 0.826 1.00 0.92 C ATOM 787 CD1 LEU A 66 -27.130 -0.585 1.668 1.00 1.03 C ATOM 788 CD2 LEU A 66 -29.583 -1.003 1.705 1.00 1.23 C ATOM 0 H LEU A 66 -28.423 0.935 -2.656 1.00 0.88 H new ATOM 0 HA LEU A 66 -29.475 -1.430 -1.536 1.00 0.78 H new ATOM 0 HB2 LEU A 66 -27.531 0.180 -0.813 1.00 0.77 H new ATOM 0 HB3 LEU A 66 -28.791 1.012 0.077 1.00 0.77 H new ATOM 0 HG LEU A 66 -28.193 -1.940 0.390 1.00 0.92 H new ATOM 0 HD11 LEU A 66 -27.027 -1.298 2.486 1.00 1.03 H new ATOM 0 HD12 LEU A 66 -26.234 -0.612 1.048 1.00 1.03 H new ATOM 0 HD13 LEU A 66 -27.260 0.418 2.075 1.00 1.03 H new ATOM 0 HD21 LEU A 66 -29.428 -1.717 2.513 1.00 1.23 H new ATOM 0 HD22 LEU A 66 -29.773 -0.015 2.125 1.00 1.23 H new ATOM 0 HD23 LEU A 66 -30.439 -1.313 1.106 1.00 1.23 H new ATOM 800 N ASP A 67 -31.279 1.310 -1.167 1.00 1.32 N ATOM 801 CA ASP A 67 -32.619 1.793 -0.839 1.00 1.67 C ATOM 802 C ASP A 67 -33.668 1.074 -1.676 1.00 1.68 C ATOM 803 O ASP A 67 -34.748 0.744 -1.188 1.00 1.84 O ATOM 804 CB ASP A 67 -32.724 3.301 -1.071 1.00 2.00 C ATOM 805 CG ASP A 67 -34.133 3.824 -0.850 1.00 2.23 C ATOM 806 OD1 ASP A 67 -34.571 3.901 0.319 1.00 2.51 O ATOM 807 OD2 ASP A 67 -34.807 4.164 -1.843 1.00 2.46 O ATOM 0 H ASP A 67 -30.651 2.026 -1.532 1.00 1.32 H new ATOM 0 HA ASP A 67 -32.800 1.584 0.215 1.00 1.67 H new ATOM 0 HB2 ASP A 67 -32.038 3.818 -0.400 1.00 2.00 H new ATOM 0 HB3 ASP A 67 -32.409 3.532 -2.089 1.00 2.00 H new ATOM 812 N LYS A 68 -33.328 0.816 -2.929 1.00 1.58 N ATOM 813 CA LYS A 68 -34.231 0.140 -3.848 1.00 1.66 C ATOM 814 C LYS A 68 -34.461 -1.304 -3.415 1.00 1.45 C ATOM 815 O LYS A 68 -35.594 -1.778 -3.396 1.00 1.60 O ATOM 816 CB LYS A 68 -33.665 0.195 -5.266 1.00 1.73 C ATOM 817 CG LYS A 68 -33.400 1.613 -5.743 1.00 2.18 C ATOM 818 CD LYS A 68 -32.756 1.635 -7.118 1.00 2.59 C ATOM 819 CE LYS A 68 -32.435 3.054 -7.554 1.00 3.22 C ATOM 820 NZ LYS A 68 -31.788 3.092 -8.890 1.00 3.83 N ATOM 0 H LYS A 68 -32.427 1.067 -3.335 1.00 1.58 H new ATOM 0 HA LYS A 68 -35.194 0.651 -3.834 1.00 1.66 H new ATOM 0 HB2 LYS A 68 -32.737 -0.375 -5.303 1.00 1.73 H new ATOM 0 HB3 LYS A 68 -34.363 -0.288 -5.949 1.00 1.73 H new ATOM 0 HG2 LYS A 68 -34.338 2.168 -5.772 1.00 2.18 H new ATOM 0 HG3 LYS A 68 -32.751 2.121 -5.030 1.00 2.18 H new ATOM 0 HD2 LYS A 68 -31.842 1.041 -7.103 1.00 2.59 H new ATOM 0 HD3 LYS A 68 -33.425 1.172 -7.843 1.00 2.59 H new ATOM 0 HE2 LYS A 68 -33.352 3.642 -7.579 1.00 3.22 H new ATOM 0 HE3 LYS A 68 -31.778 3.519 -6.819 1.00 3.22 H new ATOM 0 HZ1 LYS A 68 -31.586 4.078 -9.150 1.00 3.83 H new ATOM 0 HZ2 LYS A 68 -30.899 2.552 -8.861 1.00 3.83 H new ATOM 0 HZ3 LYS A 68 -32.425 2.672 -9.596 1.00 3.83 H new ATOM 834 N ALA A 69 -33.383 -1.991 -3.056 1.00 1.18 N ATOM 835 CA ALA A 69 -33.466 -3.361 -2.560 1.00 1.08 C ATOM 836 C ALA A 69 -34.113 -3.397 -1.178 1.00 1.23 C ATOM 837 O ALA A 69 -34.844 -4.326 -0.840 1.00 1.35 O ATOM 838 CB ALA A 69 -32.078 -3.987 -2.512 1.00 0.94 C ATOM 0 H ALA A 69 -32.434 -1.619 -3.099 1.00 1.18 H new ATOM 0 HA ALA A 69 -34.089 -3.938 -3.243 1.00 1.08 H new ATOM 0 HB1 ALA A 69 -32.152 -5.009 -2.140 1.00 0.94 H new ATOM 0 HB2 ALA A 69 -31.648 -3.995 -3.513 1.00 0.94 H new ATOM 0 HB3 ALA A 69 -31.439 -3.405 -1.848 1.00 0.94 H new ATOM 844 N ASN A 70 -33.846 -2.365 -0.389 1.00 1.32 N ATOM 845 CA ASN A 70 -34.392 -2.256 0.959 1.00 1.63 C ATOM 846 C ASN A 70 -35.894 -1.982 0.910 1.00 1.88 C ATOM 847 O ASN A 70 -36.612 -2.210 1.883 1.00 2.12 O ATOM 848 CB ASN A 70 -33.669 -1.143 1.728 1.00 1.78 C ATOM 849 CG ASN A 70 -34.115 -1.021 3.173 1.00 2.16 C ATOM 850 OD1 ASN A 70 -33.625 -1.737 4.045 1.00 2.84 O ATOM 851 ND2 ASN A 70 -35.024 -0.095 3.442 1.00 2.08 N ATOM 0 H ASN A 70 -33.249 -1.584 -0.662 1.00 1.32 H new ATOM 0 HA ASN A 70 -34.235 -3.202 1.477 1.00 1.63 H new ATOM 0 HB2 ASN A 70 -32.596 -1.331 1.701 1.00 1.78 H new ATOM 0 HB3 ASN A 70 -33.838 -0.193 1.222 1.00 1.78 H new ATOM 0 HD21 ASN A 70 -35.342 0.044 4.401 1.00 2.08 H new ATOM 0 HD22 ASN A 70 -35.406 0.478 2.690 1.00 2.08 H new ATOM 858 N ALA A 71 -36.366 -1.517 -0.241 1.00 1.89 N ATOM 859 CA ALA A 71 -37.776 -1.193 -0.421 1.00 2.19 C ATOM 860 C ALA A 71 -38.615 -2.460 -0.547 1.00 2.18 C ATOM 861 O ALA A 71 -39.834 -2.428 -0.378 1.00 2.43 O ATOM 862 CB ALA A 71 -37.962 -0.312 -1.647 1.00 2.31 C ATOM 0 H ALA A 71 -35.790 -1.355 -1.067 1.00 1.89 H new ATOM 0 HA ALA A 71 -38.115 -0.647 0.460 1.00 2.19 H new ATOM 0 HB1 ALA A 71 -39.019 -0.078 -1.770 1.00 2.31 H new ATOM 0 HB2 ALA A 71 -37.398 0.612 -1.520 1.00 2.31 H new ATOM 0 HB3 ALA A 71 -37.602 -0.838 -2.531 1.00 2.31 H new ATOM 868 N ILE A 72 -37.952 -3.575 -0.839 1.00 1.92 N ATOM 869 CA ILE A 72 -38.624 -4.865 -0.929 1.00 1.93 C ATOM 870 C ILE A 72 -39.190 -5.234 0.439 1.00 2.15 C ATOM 871 O ILE A 72 -38.470 -5.220 1.438 1.00 2.18 O ATOM 872 CB ILE A 72 -37.663 -5.983 -1.432 1.00 1.71 C ATOM 873 CG1 ILE A 72 -37.432 -5.886 -2.951 1.00 1.65 C ATOM 874 CG2 ILE A 72 -38.206 -7.365 -1.083 1.00 1.82 C ATOM 875 CD1 ILE A 72 -36.817 -4.586 -3.420 1.00 1.60 C ATOM 0 H ILE A 72 -36.948 -3.610 -1.017 1.00 1.92 H new ATOM 0 HA ILE A 72 -39.432 -4.780 -1.655 1.00 1.93 H new ATOM 0 HB ILE A 72 -36.708 -5.838 -0.927 1.00 1.71 H new ATOM 0 HG12 ILE A 72 -36.786 -6.708 -3.259 1.00 1.65 H new ATOM 0 HG13 ILE A 72 -38.387 -6.023 -3.459 1.00 1.65 H new ATOM 0 HG21 ILE A 72 -37.517 -8.129 -1.445 1.00 1.82 H new ATOM 0 HG22 ILE A 72 -38.310 -7.453 -0.001 1.00 1.82 H new ATOM 0 HG23 ILE A 72 -39.180 -7.503 -1.553 1.00 1.82 H new ATOM 0 HD11 ILE A 72 -36.693 -4.612 -4.503 1.00 1.60 H new ATOM 0 HD12 ILE A 72 -37.470 -3.756 -3.149 1.00 1.60 H new ATOM 0 HD13 ILE A 72 -35.844 -4.452 -2.947 1.00 1.60 H new ATOM 887 N VAL A 73 -40.482 -5.523 0.490 1.00 2.37 N ATOM 888 CA VAL A 73 -41.154 -5.794 1.753 1.00 2.66 C ATOM 889 C VAL A 73 -41.408 -7.292 1.929 1.00 2.70 C ATOM 890 O VAL A 73 -41.414 -8.049 0.956 1.00 2.58 O ATOM 891 CB VAL A 73 -42.489 -5.011 1.843 1.00 2.96 C ATOM 892 CG1 VAL A 73 -43.532 -5.585 0.896 1.00 3.19 C ATOM 893 CG2 VAL A 73 -43.009 -4.978 3.270 1.00 3.29 C ATOM 0 H VAL A 73 -41.087 -5.576 -0.330 1.00 2.37 H new ATOM 0 HA VAL A 73 -40.499 -5.460 2.557 1.00 2.66 H new ATOM 0 HB VAL A 73 -42.290 -3.985 1.534 1.00 2.96 H new ATOM 0 HG11 VAL A 73 -44.456 -5.014 0.983 1.00 3.19 H new ATOM 0 HG12 VAL A 73 -43.165 -5.526 -0.129 1.00 3.19 H new ATOM 0 HG13 VAL A 73 -43.723 -6.627 1.154 1.00 3.19 H new ATOM 0 HG21 VAL A 73 -43.946 -4.422 3.303 1.00 3.29 H new ATOM 0 HG22 VAL A 73 -43.179 -5.997 3.619 1.00 3.29 H new ATOM 0 HG23 VAL A 73 -42.276 -4.491 3.913 1.00 3.29 H new ATOM 903 N GLY A 74 -41.596 -7.717 3.173 1.00 2.93 N ATOM 904 CA GLY A 74 -41.867 -9.111 3.453 1.00 3.05 C ATOM 905 C GLY A 74 -40.624 -9.841 3.904 1.00 2.96 C ATOM 906 O GLY A 74 -39.608 -9.215 4.204 1.00 2.87 O ATOM 0 H GLY A 74 -41.565 -7.115 3.996 1.00 2.93 H new ATOM 0 HA2 GLY A 74 -42.633 -9.185 4.225 1.00 3.05 H new ATOM 0 HA3 GLY A 74 -42.267 -9.591 2.560 1.00 3.05 H new ATOM 910 N HIS A 75 -40.687 -11.162 3.941 1.00 3.03 N ATOM 911 CA HIS A 75 -39.529 -11.962 4.309 1.00 3.03 C ATOM 912 C HIS A 75 -38.517 -11.938 3.169 1.00 2.74 C ATOM 913 O HIS A 75 -37.328 -12.185 3.367 1.00 2.73 O ATOM 914 CB HIS A 75 -39.936 -13.403 4.632 1.00 3.25 C ATOM 915 CG HIS A 75 -38.841 -14.201 5.274 1.00 3.45 C ATOM 916 ND1 HIS A 75 -38.701 -14.318 6.639 1.00 3.68 N ATOM 917 CD2 HIS A 75 -37.822 -14.911 4.733 1.00 3.52 C ATOM 918 CE1 HIS A 75 -37.645 -15.060 6.909 1.00 3.86 C ATOM 919 NE2 HIS A 75 -37.094 -15.434 5.771 1.00 3.76 N ATOM 0 H HIS A 75 -41.524 -11.702 3.722 1.00 3.03 H new ATOM 0 HA HIS A 75 -39.078 -11.536 5.205 1.00 3.03 H new ATOM 0 HB2 HIS A 75 -40.801 -13.388 5.295 1.00 3.25 H new ATOM 0 HB3 HIS A 75 -40.247 -13.900 3.713 1.00 3.25 H new ATOM 0 HD2 HIS A 75 -37.620 -15.041 3.680 1.00 3.52 H new ATOM 0 HE1 HIS A 75 -37.291 -15.318 7.896 1.00 3.86 H new ATOM 0 HE2 HIS A 75 -36.262 -16.017 5.678 1.00 3.76 H new ATOM 928 N ASP A 76 -39.004 -11.618 1.977 1.00 2.56 N ATOM 929 CA ASP A 76 -38.151 -11.485 0.801 1.00 2.32 C ATOM 930 C ASP A 76 -37.211 -10.296 0.951 1.00 2.12 C ATOM 931 O ASP A 76 -36.225 -10.183 0.226 1.00 1.96 O ATOM 932 CB ASP A 76 -38.994 -11.321 -0.466 1.00 2.28 C ATOM 933 CG ASP A 76 -39.674 -12.607 -0.893 1.00 2.51 C ATOM 934 OD1 ASP A 76 -40.634 -13.034 -0.217 1.00 2.71 O ATOM 935 OD2 ASP A 76 -39.258 -13.196 -1.915 1.00 2.56 O ATOM 0 H ASP A 76 -39.993 -11.444 1.798 1.00 2.56 H new ATOM 0 HA ASP A 76 -37.559 -12.396 0.713 1.00 2.32 H new ATOM 0 HB2 ASP A 76 -39.751 -10.555 -0.296 1.00 2.28 H new ATOM 0 HB3 ASP A 76 -38.357 -10.966 -1.276 1.00 2.28 H new ATOM 940 N HIS A 77 -37.530 -9.415 1.899 1.00 2.20 N ATOM 941 CA HIS A 77 -36.699 -8.252 2.201 1.00 2.08 C ATOM 942 C HIS A 77 -35.268 -8.678 2.512 1.00 2.08 C ATOM 943 O HIS A 77 -34.343 -8.336 1.780 1.00 1.89 O ATOM 944 CB HIS A 77 -37.298 -7.477 3.385 1.00 2.34 C ATOM 945 CG HIS A 77 -36.455 -6.337 3.886 1.00 2.32 C ATOM 946 ND1 HIS A 77 -36.558 -5.055 3.398 1.00 2.67 N ATOM 947 CD2 HIS A 77 -35.507 -6.293 4.854 1.00 2.37 C ATOM 948 CE1 HIS A 77 -35.711 -4.273 4.040 1.00 2.58 C ATOM 949 NE2 HIS A 77 -35.062 -4.997 4.930 1.00 2.33 N ATOM 0 H HIS A 77 -38.368 -9.487 2.476 1.00 2.20 H new ATOM 0 HA HIS A 77 -36.676 -7.602 1.327 1.00 2.08 H new ATOM 0 HB2 HIS A 77 -38.272 -7.087 3.090 1.00 2.34 H new ATOM 0 HB3 HIS A 77 -37.469 -8.172 4.207 1.00 2.34 H new ATOM 0 HD1 HIS A 77 -37.190 -4.756 2.656 1.00 2.67 H new ATOM 0 HD2 HIS A 77 -35.165 -7.124 5.454 1.00 2.37 H new ATOM 0 HE1 HIS A 77 -35.573 -3.216 3.865 1.00 2.58 H new ATOM 958 N GLU A 78 -35.103 -9.432 3.592 1.00 2.35 N ATOM 959 CA GLU A 78 -33.788 -9.888 4.031 1.00 2.50 C ATOM 960 C GLU A 78 -33.113 -10.755 2.973 1.00 2.41 C ATOM 961 O GLU A 78 -31.902 -10.699 2.800 1.00 2.45 O ATOM 962 CB GLU A 78 -33.909 -10.643 5.355 1.00 2.84 C ATOM 963 CG GLU A 78 -34.920 -11.778 5.328 1.00 3.37 C ATOM 964 CD GLU A 78 -35.306 -12.231 6.715 1.00 3.63 C ATOM 965 OE1 GLU A 78 -36.126 -11.541 7.356 1.00 3.64 O ATOM 966 OE2 GLU A 78 -34.786 -13.261 7.181 1.00 4.00 O ATOM 0 H GLU A 78 -35.872 -9.744 4.186 1.00 2.35 H new ATOM 0 HA GLU A 78 -33.159 -9.011 4.181 1.00 2.50 H new ATOM 0 HB2 GLU A 78 -32.932 -11.046 5.622 1.00 2.84 H new ATOM 0 HB3 GLU A 78 -34.189 -9.939 6.139 1.00 2.84 H new ATOM 0 HG2 GLU A 78 -35.812 -11.455 4.792 1.00 3.37 H new ATOM 0 HG3 GLU A 78 -34.504 -12.620 4.775 1.00 3.37 H new ATOM 973 N GLN A 79 -33.906 -11.535 2.251 1.00 2.37 N ATOM 974 CA GLN A 79 -33.376 -12.411 1.213 1.00 2.41 C ATOM 975 C GLN A 79 -32.787 -11.596 0.070 1.00 2.17 C ATOM 976 O GLN A 79 -31.708 -11.905 -0.440 1.00 2.27 O ATOM 977 CB GLN A 79 -34.476 -13.331 0.691 1.00 2.51 C ATOM 978 CG GLN A 79 -35.111 -14.167 1.784 1.00 2.63 C ATOM 979 CD GLN A 79 -36.234 -15.047 1.280 1.00 3.06 C ATOM 980 OE1 GLN A 79 -36.931 -14.699 0.330 1.00 3.42 O ATOM 981 NE2 GLN A 79 -36.413 -16.196 1.909 1.00 3.57 N ATOM 0 H GLN A 79 -34.919 -11.580 2.364 1.00 2.37 H new ATOM 0 HA GLN A 79 -32.582 -13.018 1.647 1.00 2.41 H new ATOM 0 HB2 GLN A 79 -35.246 -12.731 0.206 1.00 2.51 H new ATOM 0 HB3 GLN A 79 -34.060 -13.991 -0.070 1.00 2.51 H new ATOM 0 HG2 GLN A 79 -34.347 -14.792 2.246 1.00 2.63 H new ATOM 0 HG3 GLN A 79 -35.495 -13.507 2.561 1.00 2.63 H new ATOM 0 HE21 GLN A 79 -35.812 -16.447 2.694 1.00 3.57 H new ATOM 0 HE22 GLN A 79 -37.152 -16.832 1.609 1.00 3.57 H new ATOM 990 N ALA A 80 -33.502 -10.554 -0.319 1.00 1.91 N ATOM 991 CA ALA A 80 -33.059 -9.674 -1.392 1.00 1.70 C ATOM 992 C ALA A 80 -31.864 -8.838 -0.959 1.00 1.61 C ATOM 993 O ALA A 80 -30.845 -8.780 -1.655 1.00 1.63 O ATOM 994 CB ALA A 80 -34.197 -8.767 -1.838 1.00 1.52 C ATOM 0 H ALA A 80 -34.398 -10.294 0.094 1.00 1.91 H new ATOM 0 HA ALA A 80 -32.752 -10.298 -2.231 1.00 1.70 H new ATOM 0 HB1 ALA A 80 -33.850 -8.116 -2.640 1.00 1.52 H new ATOM 0 HB2 ALA A 80 -35.027 -9.375 -2.198 1.00 1.52 H new ATOM 0 HB3 ALA A 80 -34.530 -8.160 -0.996 1.00 1.52 H new ATOM 1000 N VAL A 81 -31.986 -8.201 0.198 1.00 1.62 N ATOM 1001 CA VAL A 81 -30.957 -7.288 0.669 1.00 1.60 C ATOM 1002 C VAL A 81 -29.690 -8.026 1.094 1.00 1.87 C ATOM 1003 O VAL A 81 -28.605 -7.471 1.003 1.00 1.88 O ATOM 1004 CB VAL A 81 -31.454 -6.384 1.822 1.00 1.68 C ATOM 1005 CG1 VAL A 81 -32.632 -5.536 1.370 1.00 1.53 C ATOM 1006 CG2 VAL A 81 -31.832 -7.199 3.045 1.00 2.02 C ATOM 0 H VAL A 81 -32.785 -8.300 0.825 1.00 1.62 H new ATOM 0 HA VAL A 81 -30.716 -6.649 -0.180 1.00 1.60 H new ATOM 0 HB VAL A 81 -30.632 -5.724 2.099 1.00 1.68 H new ATOM 0 HG11 VAL A 81 -32.966 -4.908 2.196 1.00 1.53 H new ATOM 0 HG12 VAL A 81 -32.327 -4.906 0.535 1.00 1.53 H new ATOM 0 HG13 VAL A 81 -33.449 -6.186 1.055 1.00 1.53 H new ATOM 0 HG21 VAL A 81 -32.176 -6.531 3.835 1.00 2.02 H new ATOM 0 HG22 VAL A 81 -32.629 -7.896 2.786 1.00 2.02 H new ATOM 0 HG23 VAL A 81 -30.962 -7.756 3.394 1.00 2.02 H new ATOM 1016 N LYS A 82 -29.823 -9.278 1.526 1.00 2.13 N ATOM 1017 CA LYS A 82 -28.668 -10.068 1.954 1.00 2.43 C ATOM 1018 C LYS A 82 -27.550 -9.996 0.920 1.00 2.40 C ATOM 1019 O LYS A 82 -26.414 -9.647 1.234 1.00 2.47 O ATOM 1020 CB LYS A 82 -29.077 -11.531 2.167 1.00 2.70 C ATOM 1021 CG LYS A 82 -27.910 -12.473 2.433 1.00 3.27 C ATOM 1022 CD LYS A 82 -27.142 -12.076 3.686 1.00 3.17 C ATOM 1023 CE LYS A 82 -25.696 -11.736 3.365 1.00 3.38 C ATOM 1024 NZ LYS A 82 -24.986 -11.164 4.536 1.00 3.91 N ATOM 0 H LYS A 82 -30.716 -9.767 1.589 1.00 2.13 H new ATOM 0 HA LYS A 82 -28.303 -9.654 2.894 1.00 2.43 H new ATOM 0 HB2 LYS A 82 -29.771 -11.584 3.006 1.00 2.70 H new ATOM 0 HB3 LYS A 82 -29.616 -11.878 1.285 1.00 2.70 H new ATOM 0 HG2 LYS A 82 -28.282 -13.492 2.541 1.00 3.27 H new ATOM 0 HG3 LYS A 82 -27.236 -12.469 1.576 1.00 3.27 H new ATOM 0 HD2 LYS A 82 -27.624 -11.217 4.153 1.00 3.17 H new ATOM 0 HD3 LYS A 82 -27.174 -12.892 4.408 1.00 3.17 H new ATOM 0 HE2 LYS A 82 -25.178 -12.635 3.031 1.00 3.38 H new ATOM 0 HE3 LYS A 82 -25.665 -11.025 2.540 1.00 3.38 H new ATOM 0 HZ1 LYS A 82 -23.973 -11.073 4.317 1.00 3.91 H new ATOM 0 HZ2 LYS A 82 -25.379 -10.227 4.756 1.00 3.91 H new ATOM 0 HZ3 LYS A 82 -25.108 -11.792 5.356 1.00 3.91 H new ATOM 1038 N ARG A 83 -27.885 -10.314 -0.312 1.00 2.36 N ATOM 1039 CA ARG A 83 -26.918 -10.281 -1.390 1.00 2.42 C ATOM 1040 C ARG A 83 -26.572 -8.845 -1.781 1.00 2.15 C ATOM 1041 O ARG A 83 -25.398 -8.474 -1.846 1.00 2.25 O ATOM 1042 CB ARG A 83 -27.461 -11.045 -2.594 1.00 2.54 C ATOM 1043 CG ARG A 83 -27.684 -12.523 -2.314 1.00 2.87 C ATOM 1044 CD ARG A 83 -28.355 -13.213 -3.485 1.00 3.43 C ATOM 1045 NE ARG A 83 -27.601 -13.035 -4.726 1.00 4.01 N ATOM 1046 CZ ARG A 83 -28.150 -12.965 -5.938 1.00 4.81 C ATOM 1047 NH1 ARG A 83 -29.458 -13.133 -6.095 1.00 5.15 N ATOM 1048 NH2 ARG A 83 -27.381 -12.744 -6.997 1.00 5.57 N ATOM 0 H ARG A 83 -28.823 -10.599 -0.593 1.00 2.36 H new ATOM 0 HA ARG A 83 -26.002 -10.760 -1.044 1.00 2.42 H new ATOM 0 HB2 ARG A 83 -28.403 -10.595 -2.907 1.00 2.54 H new ATOM 0 HB3 ARG A 83 -26.765 -10.940 -3.427 1.00 2.54 H new ATOM 0 HG2 ARG A 83 -26.728 -13.004 -2.106 1.00 2.87 H new ATOM 0 HG3 ARG A 83 -28.299 -12.637 -1.421 1.00 2.87 H new ATOM 0 HD2 ARG A 83 -28.456 -14.277 -3.271 1.00 3.43 H new ATOM 0 HD3 ARG A 83 -29.362 -12.816 -3.612 1.00 3.43 H new ATOM 0 HE ARG A 83 -26.586 -12.959 -4.659 1.00 4.01 H new ATOM 0 HH11 ARG A 83 -30.049 -13.317 -5.285 1.00 5.15 H new ATOM 0 HH12 ARG A 83 -29.871 -13.078 -7.026 1.00 5.15 H new ATOM 0 HH21 ARG A 83 -26.374 -12.629 -6.881 1.00 5.57 H new ATOM 0 HH22 ARG A 83 -27.797 -12.690 -7.927 1.00 5.57 H new ATOM 1062 N ALA A 84 -27.601 -8.044 -2.032 1.00 1.83 N ATOM 1063 CA ALA A 84 -27.412 -6.711 -2.593 1.00 1.59 C ATOM 1064 C ALA A 84 -26.876 -5.694 -1.585 1.00 1.42 C ATOM 1065 O ALA A 84 -25.857 -5.054 -1.841 1.00 1.43 O ATOM 1066 CB ALA A 84 -28.717 -6.219 -3.198 1.00 1.38 C ATOM 0 H ALA A 84 -28.574 -8.294 -1.856 1.00 1.83 H new ATOM 0 HA ALA A 84 -26.649 -6.801 -3.366 1.00 1.59 H new ATOM 0 HB1 ALA A 84 -28.572 -5.223 -3.616 1.00 1.38 H new ATOM 0 HB2 ALA A 84 -29.032 -6.901 -3.987 1.00 1.38 H new ATOM 0 HB3 ALA A 84 -29.484 -6.180 -2.425 1.00 1.38 H new ATOM 1072 N GLN A 85 -27.529 -5.566 -0.431 1.00 1.36 N ATOM 1073 CA GLN A 85 -27.213 -4.490 0.499 1.00 1.30 C ATOM 1074 C GLN A 85 -25.832 -4.692 1.081 1.00 1.54 C ATOM 1075 O GLN A 85 -25.122 -3.728 1.355 1.00 1.47 O ATOM 1076 CB GLN A 85 -28.290 -4.359 1.598 1.00 1.42 C ATOM 1077 CG GLN A 85 -28.117 -5.251 2.828 1.00 1.74 C ATOM 1078 CD GLN A 85 -27.117 -4.719 3.844 1.00 2.28 C ATOM 1079 OE1 GLN A 85 -26.439 -5.490 4.524 1.00 2.91 O ATOM 1080 NE2 GLN A 85 -27.031 -3.402 3.971 1.00 2.62 N ATOM 0 H GLN A 85 -28.274 -6.190 -0.122 1.00 1.36 H new ATOM 0 HA GLN A 85 -27.212 -3.548 -0.049 1.00 1.30 H new ATOM 0 HB2 GLN A 85 -28.316 -3.321 1.929 1.00 1.42 H new ATOM 0 HB3 GLN A 85 -29.261 -4.575 1.153 1.00 1.42 H new ATOM 0 HG2 GLN A 85 -29.085 -5.372 3.315 1.00 1.74 H new ATOM 0 HG3 GLN A 85 -27.798 -6.241 2.504 1.00 1.74 H new ATOM 0 HE21 GLN A 85 -27.609 -2.795 3.390 1.00 2.62 H new ATOM 0 HE22 GLN A 85 -26.387 -2.996 4.650 1.00 2.62 H new ATOM 1089 N GLU A 86 -25.465 -5.950 1.272 1.00 1.86 N ATOM 1090 CA GLU A 86 -24.144 -6.292 1.753 1.00 2.14 C ATOM 1091 C GLU A 86 -23.073 -5.730 0.830 1.00 2.08 C ATOM 1092 O GLU A 86 -22.155 -5.051 1.277 1.00 2.16 O ATOM 1093 CB GLU A 86 -24.001 -7.805 1.852 1.00 2.50 C ATOM 1094 CG GLU A 86 -22.599 -8.245 2.202 1.00 2.97 C ATOM 1095 CD GLU A 86 -22.498 -9.734 2.436 1.00 3.32 C ATOM 1096 OE1 GLU A 86 -22.688 -10.174 3.592 1.00 3.78 O ATOM 1097 OE2 GLU A 86 -22.226 -10.471 1.468 1.00 3.33 O ATOM 0 H GLU A 86 -26.071 -6.752 1.099 1.00 1.86 H new ATOM 0 HA GLU A 86 -24.014 -5.853 2.742 1.00 2.14 H new ATOM 0 HB2 GLU A 86 -24.692 -8.181 2.606 1.00 2.50 H new ATOM 0 HB3 GLU A 86 -24.290 -8.254 0.902 1.00 2.50 H new ATOM 0 HG2 GLU A 86 -21.922 -7.961 1.397 1.00 2.97 H new ATOM 0 HG3 GLU A 86 -22.269 -7.717 3.097 1.00 2.97 H new ATOM 1104 N ASP A 87 -23.209 -6.018 -0.457 1.00 2.00 N ATOM 1105 CA ASP A 87 -22.274 -5.522 -1.470 1.00 2.04 C ATOM 1106 C ASP A 87 -22.149 -3.997 -1.425 1.00 1.73 C ATOM 1107 O ASP A 87 -21.043 -3.461 -1.454 1.00 1.79 O ATOM 1108 CB ASP A 87 -22.714 -5.974 -2.863 1.00 2.14 C ATOM 1109 CG ASP A 87 -21.843 -5.398 -3.963 1.00 2.31 C ATOM 1110 OD1 ASP A 87 -20.699 -5.870 -4.141 1.00 2.73 O ATOM 1111 OD2 ASP A 87 -22.298 -4.471 -4.657 1.00 2.23 O ATOM 0 H ASP A 87 -23.962 -6.596 -0.831 1.00 2.00 H new ATOM 0 HA ASP A 87 -21.293 -5.943 -1.249 1.00 2.04 H new ATOM 0 HB2 ASP A 87 -22.686 -7.062 -2.914 1.00 2.14 H new ATOM 0 HB3 ASP A 87 -23.749 -5.674 -3.029 1.00 2.14 H new ATOM 1116 N TYR A 88 -23.284 -3.309 -1.347 1.00 1.40 N ATOM 1117 CA TYR A 88 -23.306 -1.848 -1.235 1.00 1.13 C ATOM 1118 C TYR A 88 -22.654 -1.405 0.066 1.00 1.15 C ATOM 1119 O TYR A 88 -21.700 -0.633 0.054 1.00 1.15 O ATOM 1120 CB TYR A 88 -24.746 -1.344 -1.307 1.00 0.86 C ATOM 1121 CG TYR A 88 -25.521 -1.897 -2.484 1.00 0.94 C ATOM 1122 CD1 TYR A 88 -24.934 -2.040 -3.737 1.00 1.19 C ATOM 1123 CD2 TYR A 88 -26.841 -2.283 -2.335 1.00 0.84 C ATOM 1124 CE1 TYR A 88 -25.647 -2.555 -4.804 1.00 1.36 C ATOM 1125 CE2 TYR A 88 -27.562 -2.797 -3.395 1.00 0.96 C ATOM 1126 CZ TYR A 88 -26.960 -2.932 -4.627 1.00 1.23 C ATOM 1127 OH TYR A 88 -27.674 -3.450 -5.683 1.00 1.42 O ATOM 0 H TYR A 88 -24.208 -3.740 -1.359 1.00 1.40 H new ATOM 0 HA TYR A 88 -22.740 -1.422 -2.064 1.00 1.13 H new ATOM 0 HB2 TYR A 88 -25.262 -1.610 -0.385 1.00 0.86 H new ATOM 0 HB3 TYR A 88 -24.739 -0.256 -1.366 1.00 0.86 H new ATOM 0 HD1 TYR A 88 -23.905 -1.744 -3.879 1.00 1.19 H new ATOM 0 HD2 TYR A 88 -27.317 -2.180 -1.371 1.00 0.84 H new ATOM 0 HE1 TYR A 88 -25.177 -2.661 -5.771 1.00 1.36 H new ATOM 0 HE2 TYR A 88 -28.592 -3.092 -3.259 1.00 0.96 H new ATOM 0 HH TYR A 88 -28.583 -3.666 -5.389 1.00 1.42 H new ATOM 1137 N ASN A 89 -23.162 -1.906 1.187 1.00 1.28 N ATOM 1138 CA ASN A 89 -22.586 -1.602 2.501 1.00 1.47 C ATOM 1139 C ASN A 89 -21.072 -1.843 2.514 1.00 1.64 C ATOM 1140 O ASN A 89 -20.307 -1.032 3.044 1.00 1.66 O ATOM 1141 CB ASN A 89 -23.258 -2.444 3.590 1.00 1.72 C ATOM 1142 CG ASN A 89 -22.679 -2.182 4.970 1.00 2.03 C ATOM 1143 OD1 ASN A 89 -21.736 -2.848 5.398 1.00 2.41 O ATOM 1144 ND2 ASN A 89 -23.235 -1.205 5.669 1.00 2.45 N ATOM 0 H ASN A 89 -23.972 -2.525 1.217 1.00 1.28 H new ATOM 0 HA ASN A 89 -22.766 -0.547 2.705 1.00 1.47 H new ATOM 0 HB2 ASN A 89 -24.327 -2.231 3.602 1.00 1.72 H new ATOM 0 HB3 ASN A 89 -23.147 -3.501 3.348 1.00 1.72 H new ATOM 0 HD21 ASN A 89 -22.883 -0.980 6.600 1.00 2.45 H new ATOM 0 HD22 ASN A 89 -24.015 -0.677 5.277 1.00 2.45 H new ATOM 1151 N THR A 90 -20.651 -2.947 1.912 1.00 1.81 N ATOM 1152 CA THR A 90 -19.238 -3.287 1.818 1.00 2.03 C ATOM 1153 C THR A 90 -18.502 -2.328 0.883 1.00 1.87 C ATOM 1154 O THR A 90 -17.344 -1.998 1.120 1.00 1.97 O ATOM 1155 CB THR A 90 -19.044 -4.733 1.314 1.00 2.31 C ATOM 1156 OG1 THR A 90 -19.718 -5.649 2.186 1.00 2.47 O ATOM 1157 CG2 THR A 90 -17.568 -5.095 1.239 1.00 2.60 C ATOM 0 H THR A 90 -21.274 -3.628 1.478 1.00 1.81 H new ATOM 0 HA THR A 90 -18.821 -3.200 2.821 1.00 2.03 H new ATOM 0 HB THR A 90 -19.467 -4.801 0.312 1.00 2.31 H new ATOM 0 HG1 THR A 90 -20.642 -5.770 1.882 1.00 2.47 H new ATOM 0 HG21 THR A 90 -17.462 -6.119 0.881 1.00 2.60 H new ATOM 0 HG22 THR A 90 -17.061 -4.416 0.553 1.00 2.60 H new ATOM 0 HG23 THR A 90 -17.122 -5.009 2.230 1.00 2.60 H new ATOM 1165 N ALA A 91 -19.186 -1.874 -0.163 1.00 1.68 N ATOM 1166 CA ALA A 91 -18.583 -0.998 -1.162 1.00 1.61 C ATOM 1167 C ALA A 91 -17.990 0.250 -0.526 1.00 1.43 C ATOM 1168 O ALA A 91 -16.880 0.650 -0.866 1.00 1.44 O ATOM 1169 CB ALA A 91 -19.601 -0.609 -2.226 1.00 1.53 C ATOM 0 H ALA A 91 -20.165 -2.100 -0.341 1.00 1.68 H new ATOM 0 HA ALA A 91 -17.774 -1.554 -1.635 1.00 1.61 H new ATOM 0 HB1 ALA A 91 -19.129 0.044 -2.960 1.00 1.53 H new ATOM 0 HB2 ALA A 91 -19.969 -1.507 -2.723 1.00 1.53 H new ATOM 0 HB3 ALA A 91 -20.435 -0.086 -1.758 1.00 1.53 H new ATOM 1175 N TYR A 92 -18.724 0.849 0.409 1.00 1.34 N ATOM 1176 CA TYR A 92 -18.261 2.073 1.058 1.00 1.26 C ATOM 1177 C TYR A 92 -17.127 1.754 2.028 1.00 1.35 C ATOM 1178 O TYR A 92 -16.150 2.493 2.124 1.00 1.26 O ATOM 1179 CB TYR A 92 -19.386 2.784 1.824 1.00 1.42 C ATOM 1180 CG TYR A 92 -20.796 2.457 1.368 1.00 1.08 C ATOM 1181 CD1 TYR A 92 -21.182 2.564 0.035 1.00 1.10 C ATOM 1182 CD2 TYR A 92 -21.742 2.038 2.292 1.00 1.31 C ATOM 1183 CE1 TYR A 92 -22.481 2.255 -0.356 1.00 1.20 C ATOM 1184 CE2 TYR A 92 -23.031 1.734 1.910 1.00 1.36 C ATOM 1185 CZ TYR A 92 -23.396 1.843 0.592 1.00 1.21 C ATOM 1186 OH TYR A 92 -24.681 1.530 0.219 1.00 1.62 O ATOM 0 H TYR A 92 -19.631 0.512 0.731 1.00 1.34 H new ATOM 0 HA TYR A 92 -17.911 2.740 0.270 1.00 1.26 H new ATOM 0 HB2 TYR A 92 -19.297 2.532 2.881 1.00 1.42 H new ATOM 0 HB3 TYR A 92 -19.236 3.860 1.739 1.00 1.42 H new ATOM 0 HD1 TYR A 92 -20.465 2.890 -0.704 1.00 1.10 H new ATOM 0 HD2 TYR A 92 -21.463 1.948 3.331 1.00 1.31 H new ATOM 0 HE1 TYR A 92 -22.771 2.337 -1.393 1.00 1.20 H new ATOM 0 HE2 TYR A 92 -23.752 1.411 2.646 1.00 1.36 H new ATOM 0 HH TYR A 92 -25.293 1.723 0.960 1.00 1.62 H new ATOM 1196 N ASN A 93 -17.269 0.642 2.737 1.00 1.61 N ATOM 1197 CA ASN A 93 -16.265 0.211 3.709 1.00 1.84 C ATOM 1198 C ASN A 93 -14.960 -0.143 3.005 1.00 1.87 C ATOM 1199 O ASN A 93 -13.896 0.335 3.381 1.00 1.94 O ATOM 1200 CB ASN A 93 -16.793 -0.986 4.507 1.00 2.21 C ATOM 1201 CG ASN A 93 -15.822 -1.471 5.567 1.00 2.53 C ATOM 1202 OD1 ASN A 93 -15.007 -0.707 6.087 1.00 3.07 O ATOM 1203 ND2 ASN A 93 -15.919 -2.745 5.913 1.00 2.55 N ATOM 0 H ASN A 93 -18.072 0.018 2.659 1.00 1.61 H new ATOM 0 HA ASN A 93 -16.065 1.030 4.400 1.00 1.84 H new ATOM 0 HB2 ASN A 93 -17.734 -0.711 4.984 1.00 2.21 H new ATOM 0 HB3 ASN A 93 -17.011 -1.804 3.821 1.00 2.21 H new ATOM 0 HD21 ASN A 93 -15.306 -3.126 6.634 1.00 2.55 H new ATOM 0 HD22 ASN A 93 -16.607 -3.346 5.459 1.00 2.55 H new ATOM 1210 N GLU A 94 -15.057 -0.958 1.964 1.00 1.87 N ATOM 1211 CA GLU A 94 -13.904 -1.324 1.157 1.00 2.01 C ATOM 1212 C GLU A 94 -13.316 -0.084 0.494 1.00 1.77 C ATOM 1213 O GLU A 94 -12.112 -0.002 0.253 1.00 1.86 O ATOM 1214 CB GLU A 94 -14.316 -2.353 0.099 1.00 2.18 C ATOM 1215 CG GLU A 94 -13.161 -2.899 -0.721 1.00 2.46 C ATOM 1216 CD GLU A 94 -12.107 -3.576 0.133 1.00 3.11 C ATOM 1217 OE1 GLU A 94 -12.472 -4.433 0.968 1.00 3.42 O ATOM 1218 OE2 GLU A 94 -10.904 -3.264 -0.031 1.00 3.61 O ATOM 0 H GLU A 94 -15.933 -1.382 1.657 1.00 1.87 H new ATOM 0 HA GLU A 94 -13.143 -1.767 1.799 1.00 2.01 H new ATOM 0 HB2 GLU A 94 -14.821 -3.183 0.593 1.00 2.18 H new ATOM 0 HB3 GLU A 94 -15.040 -1.895 -0.574 1.00 2.18 H new ATOM 0 HG2 GLU A 94 -13.544 -3.612 -1.451 1.00 2.46 H new ATOM 0 HG3 GLU A 94 -12.701 -2.085 -1.281 1.00 2.46 H new ATOM 1225 N ALA A 95 -14.182 0.884 0.204 1.00 1.49 N ATOM 1226 CA ALA A 95 -13.763 2.117 -0.438 1.00 1.32 C ATOM 1227 C ALA A 95 -12.764 2.886 0.409 1.00 1.23 C ATOM 1228 O ALA A 95 -11.975 3.657 -0.123 1.00 1.18 O ATOM 1229 CB ALA A 95 -14.956 2.992 -0.748 1.00 1.13 C ATOM 0 H ALA A 95 -15.180 0.833 0.406 1.00 1.49 H new ATOM 0 HA ALA A 95 -13.270 1.840 -1.370 1.00 1.32 H new ATOM 0 HB1 ALA A 95 -14.619 3.910 -1.229 1.00 1.13 H new ATOM 0 HB2 ALA A 95 -15.633 2.460 -1.416 1.00 1.13 H new ATOM 0 HB3 ALA A 95 -15.478 3.237 0.177 1.00 1.13 H new ATOM 1235 N TYR A 96 -12.796 2.692 1.727 1.00 1.30 N ATOM 1236 CA TYR A 96 -11.801 3.307 2.590 1.00 1.37 C ATOM 1237 C TYR A 96 -10.412 2.869 2.134 1.00 1.50 C ATOM 1238 O TYR A 96 -9.512 3.685 1.995 1.00 1.41 O ATOM 1239 CB TYR A 96 -12.059 2.963 4.075 1.00 1.64 C ATOM 1240 CG TYR A 96 -11.067 2.004 4.711 1.00 1.92 C ATOM 1241 CD1 TYR A 96 -9.830 2.452 5.156 1.00 2.24 C ATOM 1242 CD2 TYR A 96 -11.370 0.656 4.867 1.00 2.49 C ATOM 1243 CE1 TYR A 96 -8.924 1.586 5.736 1.00 2.66 C ATOM 1244 CE2 TYR A 96 -10.468 -0.216 5.448 1.00 3.01 C ATOM 1245 CZ TYR A 96 -9.246 0.254 5.879 1.00 2.94 C ATOM 1246 OH TYR A 96 -8.341 -0.607 6.461 1.00 3.53 O ATOM 0 H TYR A 96 -13.490 2.122 2.210 1.00 1.30 H new ATOM 0 HA TYR A 96 -11.869 4.392 2.511 1.00 1.37 H new ATOM 0 HB2 TYR A 96 -12.059 3.890 4.649 1.00 1.64 H new ATOM 0 HB3 TYR A 96 -13.057 2.534 4.161 1.00 1.64 H new ATOM 0 HD1 TYR A 96 -9.572 3.495 5.047 1.00 2.24 H new ATOM 0 HD2 TYR A 96 -12.326 0.284 4.529 1.00 2.49 H new ATOM 0 HE1 TYR A 96 -7.966 1.952 6.076 1.00 2.66 H new ATOM 0 HE2 TYR A 96 -10.720 -1.260 5.564 1.00 3.01 H new ATOM 0 HH TYR A 96 -8.720 -1.510 6.489 1.00 3.53 H new ATOM 1256 N ASN A 97 -10.266 1.574 1.877 1.00 1.75 N ATOM 1257 CA ASN A 97 -9.026 1.019 1.352 1.00 1.97 C ATOM 1258 C ASN A 97 -8.796 1.497 -0.080 1.00 1.90 C ATOM 1259 O ASN A 97 -7.702 1.940 -0.429 1.00 1.92 O ATOM 1260 CB ASN A 97 -9.083 -0.509 1.405 1.00 2.30 C ATOM 1261 CG ASN A 97 -7.813 -1.175 0.906 1.00 2.56 C ATOM 1262 OD1 ASN A 97 -6.713 -0.636 1.036 1.00 2.67 O ATOM 1263 ND2 ASN A 97 -7.959 -2.360 0.338 1.00 3.04 N ATOM 0 H ASN A 97 -11.001 0.883 2.026 1.00 1.75 H new ATOM 0 HA ASN A 97 -8.193 1.363 1.965 1.00 1.97 H new ATOM 0 HB2 ASN A 97 -9.271 -0.823 2.432 1.00 2.30 H new ATOM 0 HB3 ASN A 97 -9.926 -0.855 0.807 1.00 2.30 H new ATOM 0 HD21 ASN A 97 -7.143 -2.862 -0.012 1.00 3.04 H new ATOM 0 HD22 ASN A 97 -8.888 -2.772 0.249 1.00 3.04 H new ATOM 1270 N THR A 98 -9.847 1.413 -0.894 1.00 1.87 N ATOM 1271 CA THR A 98 -9.779 1.798 -2.302 1.00 1.95 C ATOM 1272 C THR A 98 -9.318 3.245 -2.474 1.00 1.74 C ATOM 1273 O THR A 98 -8.305 3.516 -3.128 1.00 1.88 O ATOM 1274 CB THR A 98 -11.157 1.641 -2.980 1.00 1.99 C ATOM 1275 OG1 THR A 98 -11.628 0.290 -2.851 1.00 2.22 O ATOM 1276 CG2 THR A 98 -11.085 2.027 -4.448 1.00 2.21 C ATOM 0 H THR A 98 -10.764 1.078 -0.598 1.00 1.87 H new ATOM 0 HA THR A 98 -9.052 1.135 -2.771 1.00 1.95 H new ATOM 0 HB THR A 98 -11.857 2.310 -2.480 1.00 1.99 H new ATOM 0 HG1 THR A 98 -11.854 0.110 -1.915 1.00 2.22 H new ATOM 0 HG21 THR A 98 -12.068 1.908 -4.904 1.00 2.21 H new ATOM 0 HG22 THR A 98 -10.767 3.066 -4.536 1.00 2.21 H new ATOM 0 HG23 THR A 98 -10.368 1.384 -4.959 1.00 2.21 H new ATOM 1284 N VAL A 99 -10.055 4.169 -1.875 1.00 1.45 N ATOM 1285 CA VAL A 99 -9.770 5.584 -2.028 1.00 1.32 C ATOM 1286 C VAL A 99 -8.457 5.937 -1.330 1.00 1.24 C ATOM 1287 O VAL A 99 -7.742 6.830 -1.770 1.00 1.28 O ATOM 1288 CB VAL A 99 -10.922 6.469 -1.484 1.00 1.12 C ATOM 1289 CG1 VAL A 99 -10.660 7.946 -1.762 1.00 1.16 C ATOM 1290 CG2 VAL A 99 -12.257 6.050 -2.087 1.00 1.25 C ATOM 0 H VAL A 99 -10.856 3.962 -1.278 1.00 1.45 H new ATOM 0 HA VAL A 99 -9.677 5.787 -3.095 1.00 1.32 H new ATOM 0 HB VAL A 99 -10.966 6.326 -0.404 1.00 1.12 H new ATOM 0 HG11 VAL A 99 -11.484 8.542 -1.369 1.00 1.16 H new ATOM 0 HG12 VAL A 99 -9.731 8.248 -1.278 1.00 1.16 H new ATOM 0 HG13 VAL A 99 -10.577 8.105 -2.837 1.00 1.16 H new ATOM 0 HG21 VAL A 99 -13.050 6.684 -1.691 1.00 1.25 H new ATOM 0 HG22 VAL A 99 -12.215 6.155 -3.171 1.00 1.25 H new ATOM 0 HG23 VAL A 99 -12.462 5.011 -1.831 1.00 1.25 H new ATOM 1300 N ARG A 100 -8.132 5.221 -0.251 1.00 1.22 N ATOM 1301 CA ARG A 100 -6.876 5.453 0.473 1.00 1.24 C ATOM 1302 C ARG A 100 -5.681 5.112 -0.411 1.00 1.46 C ATOM 1303 O ARG A 100 -4.724 5.875 -0.494 1.00 1.39 O ATOM 1304 CB ARG A 100 -6.816 4.628 1.765 1.00 1.42 C ATOM 1305 CG ARG A 100 -5.672 5.017 2.689 1.00 1.53 C ATOM 1306 CD ARG A 100 -5.634 4.153 3.943 1.00 1.72 C ATOM 1307 NE ARG A 100 -5.161 2.797 3.665 1.00 2.34 N ATOM 1308 CZ ARG A 100 -4.976 1.862 4.598 1.00 2.59 C ATOM 1309 NH1 ARG A 100 -5.298 2.096 5.866 1.00 2.40 N ATOM 1310 NH2 ARG A 100 -4.480 0.682 4.254 1.00 3.22 N ATOM 0 H ARG A 100 -8.715 4.481 0.140 1.00 1.22 H new ATOM 0 HA ARG A 100 -6.838 6.510 0.738 1.00 1.24 H new ATOM 0 HB2 ARG A 100 -7.758 4.741 2.301 1.00 1.42 H new ATOM 0 HB3 ARG A 100 -6.720 3.573 1.507 1.00 1.42 H new ATOM 0 HG2 ARG A 100 -4.726 4.923 2.155 1.00 1.53 H new ATOM 0 HG3 ARG A 100 -5.775 6.064 2.973 1.00 1.53 H new ATOM 0 HD2 ARG A 100 -4.983 4.618 4.683 1.00 1.72 H new ATOM 0 HD3 ARG A 100 -6.631 4.106 4.380 1.00 1.72 H new ATOM 0 HE ARG A 100 -4.960 2.551 2.696 1.00 2.34 H new ATOM 0 HH11 ARG A 100 -5.691 2.998 6.134 1.00 2.40 H new ATOM 0 HH12 ARG A 100 -5.152 1.373 6.571 1.00 2.40 H new ATOM 0 HH21 ARG A 100 -4.242 0.493 3.280 1.00 3.22 H new ATOM 0 HH22 ARG A 100 -4.336 -0.037 4.963 1.00 3.22 H new ATOM 1324 N ASN A 101 -5.756 3.970 -1.083 1.00 1.77 N ATOM 1325 CA ASN A 101 -4.703 3.533 -2.001 1.00 2.07 C ATOM 1326 C ASN A 101 -4.512 4.554 -3.120 1.00 2.08 C ATOM 1327 O ASN A 101 -3.390 4.842 -3.538 1.00 2.21 O ATOM 1328 CB ASN A 101 -5.072 2.168 -2.588 1.00 2.40 C ATOM 1329 CG ASN A 101 -4.008 1.606 -3.510 1.00 3.12 C ATOM 1330 OD1 ASN A 101 -2.815 1.854 -3.335 1.00 3.68 O ATOM 1331 ND2 ASN A 101 -4.435 0.835 -4.496 1.00 3.52 N ATOM 0 H ASN A 101 -6.541 3.322 -1.011 1.00 1.77 H new ATOM 0 HA ASN A 101 -3.765 3.448 -1.452 1.00 2.07 H new ATOM 0 HB2 ASN A 101 -5.246 1.465 -1.774 1.00 2.40 H new ATOM 0 HB3 ASN A 101 -6.009 2.258 -3.137 1.00 2.40 H new ATOM 0 HD21 ASN A 101 -3.767 0.421 -5.146 1.00 3.52 H new ATOM 0 HD22 ASN A 101 -5.433 0.654 -4.606 1.00 3.52 H new ATOM 1338 N ARG A 102 -5.619 5.100 -3.601 1.00 2.01 N ATOM 1339 CA ARG A 102 -5.577 6.160 -4.598 1.00 2.15 C ATOM 1340 C ARG A 102 -5.056 7.457 -3.978 1.00 1.94 C ATOM 1341 O ARG A 102 -4.332 8.219 -4.619 1.00 2.11 O ATOM 1342 CB ARG A 102 -6.967 6.380 -5.196 1.00 2.21 C ATOM 1343 CG ARG A 102 -7.046 7.572 -6.131 1.00 3.06 C ATOM 1344 CD ARG A 102 -8.462 7.794 -6.623 1.00 3.55 C ATOM 1345 NE ARG A 102 -8.609 9.083 -7.291 1.00 4.42 N ATOM 1346 CZ ARG A 102 -9.670 9.872 -7.148 1.00 5.07 C ATOM 1347 NH1 ARG A 102 -10.705 9.474 -6.416 1.00 5.10 N ATOM 1348 NH2 ARG A 102 -9.702 11.058 -7.744 1.00 5.99 N ATOM 0 H ARG A 102 -6.559 4.826 -3.316 1.00 2.01 H new ATOM 0 HA ARG A 102 -4.897 5.859 -5.395 1.00 2.15 H new ATOM 0 HB2 ARG A 102 -7.266 5.483 -5.739 1.00 2.21 H new ATOM 0 HB3 ARG A 102 -7.684 6.516 -4.386 1.00 2.21 H new ATOM 0 HG2 ARG A 102 -6.694 8.465 -5.615 1.00 3.06 H new ATOM 0 HG3 ARG A 102 -6.384 7.414 -6.982 1.00 3.06 H new ATOM 0 HD2 ARG A 102 -8.737 6.995 -7.311 1.00 3.55 H new ATOM 0 HD3 ARG A 102 -9.152 7.741 -5.781 1.00 3.55 H new ATOM 0 HE ARG A 102 -7.855 9.397 -7.902 1.00 4.42 H new ATOM 0 HH11 ARG A 102 -10.687 8.561 -5.962 1.00 5.10 H new ATOM 0 HH12 ARG A 102 -11.517 10.082 -6.308 1.00 5.10 H new ATOM 0 HH21 ARG A 102 -8.912 11.365 -8.312 1.00 5.99 H new ATOM 0 HH22 ARG A 102 -10.516 11.662 -7.634 1.00 5.99 H new ATOM 1362 N TYR A 103 -5.417 7.686 -2.722 1.00 1.60 N ATOM 1363 CA TYR A 103 -5.018 8.893 -2.006 1.00 1.44 C ATOM 1364 C TYR A 103 -3.526 8.878 -1.749 1.00 1.45 C ATOM 1365 O TYR A 103 -2.887 9.926 -1.666 1.00 1.49 O ATOM 1366 CB TYR A 103 -5.767 9.005 -0.683 1.00 1.15 C ATOM 1367 CG TYR A 103 -6.478 10.314 -0.512 1.00 1.22 C ATOM 1368 CD1 TYR A 103 -5.814 11.416 -0.003 1.00 1.34 C ATOM 1369 CD2 TYR A 103 -7.811 10.449 -0.865 1.00 1.37 C ATOM 1370 CE1 TYR A 103 -6.458 12.620 0.152 1.00 1.62 C ATOM 1371 CE2 TYR A 103 -8.466 11.649 -0.713 1.00 1.66 C ATOM 1372 CZ TYR A 103 -7.785 12.736 -0.201 1.00 1.79 C ATOM 1373 OH TYR A 103 -8.428 13.945 -0.057 1.00 2.18 O ATOM 0 H TYR A 103 -5.991 7.046 -2.173 1.00 1.60 H new ATOM 0 HA TYR A 103 -5.267 9.756 -2.624 1.00 1.44 H new ATOM 0 HB2 TYR A 103 -6.492 8.194 -0.614 1.00 1.15 H new ATOM 0 HB3 TYR A 103 -5.062 8.873 0.138 1.00 1.15 H new ATOM 0 HD1 TYR A 103 -4.774 11.329 0.277 1.00 1.34 H new ATOM 0 HD2 TYR A 103 -8.344 9.599 -1.266 1.00 1.37 H new ATOM 0 HE1 TYR A 103 -5.926 13.472 0.549 1.00 1.62 H new ATOM 0 HE2 TYR A 103 -9.505 11.741 -0.992 1.00 1.66 H new ATOM 0 HH TYR A 103 -9.357 13.791 0.215 1.00 2.18 H new ATOM 1383 N ILE A 104 -2.992 7.675 -1.609 1.00 1.50 N ATOM 1384 CA ILE A 104 -1.560 7.461 -1.526 1.00 1.62 C ATOM 1385 C ILE A 104 -0.868 8.121 -2.712 1.00 1.87 C ATOM 1386 O ILE A 104 0.108 8.841 -2.548 1.00 1.86 O ATOM 1387 CB ILE A 104 -1.253 5.940 -1.466 1.00 1.87 C ATOM 1388 CG1 ILE A 104 -0.960 5.505 -0.029 1.00 1.87 C ATOM 1389 CG2 ILE A 104 -0.099 5.549 -2.376 1.00 2.18 C ATOM 1390 CD1 ILE A 104 -2.003 5.947 0.969 1.00 1.52 C ATOM 0 H ILE A 104 -3.543 6.819 -1.550 1.00 1.50 H new ATOM 0 HA ILE A 104 -1.176 7.917 -0.614 1.00 1.62 H new ATOM 0 HB ILE A 104 -2.143 5.422 -1.824 1.00 1.87 H new ATOM 0 HG12 ILE A 104 -0.879 4.418 0.002 1.00 1.87 H new ATOM 0 HG13 ILE A 104 0.008 5.905 0.271 1.00 1.87 H new ATOM 0 HG21 ILE A 104 0.078 4.476 -2.299 1.00 2.18 H new ATOM 0 HG22 ILE A 104 -0.346 5.803 -3.407 1.00 2.18 H new ATOM 0 HG23 ILE A 104 0.800 6.087 -2.075 1.00 2.18 H new ATOM 0 HD11 ILE A 104 -1.724 5.600 1.964 1.00 1.52 H new ATOM 0 HD12 ILE A 104 -2.069 7.035 0.969 1.00 1.52 H new ATOM 0 HD13 ILE A 104 -2.970 5.525 0.696 1.00 1.52 H new ATOM 1402 N GLN A 105 -1.414 7.896 -3.898 1.00 2.14 N ATOM 1403 CA GLN A 105 -0.888 8.487 -5.117 1.00 2.47 C ATOM 1404 C GLN A 105 -1.040 10.007 -5.091 1.00 2.42 C ATOM 1405 O GLN A 105 -0.132 10.741 -5.480 1.00 2.56 O ATOM 1406 CB GLN A 105 -1.627 7.903 -6.319 1.00 2.78 C ATOM 1407 CG GLN A 105 -1.044 8.305 -7.662 1.00 2.94 C ATOM 1408 CD GLN A 105 -1.825 7.724 -8.824 1.00 3.34 C ATOM 1409 OE1 GLN A 105 -1.263 7.415 -9.874 1.00 3.91 O ATOM 1410 NE2 GLN A 105 -3.130 7.574 -8.648 1.00 3.54 N ATOM 0 H GLN A 105 -2.230 7.301 -4.041 1.00 2.14 H new ATOM 0 HA GLN A 105 0.174 8.256 -5.194 1.00 2.47 H new ATOM 0 HB2 GLN A 105 -1.620 6.816 -6.243 1.00 2.78 H new ATOM 0 HB3 GLN A 105 -2.670 8.218 -6.279 1.00 2.78 H new ATOM 0 HG2 GLN A 105 -1.034 9.392 -7.741 1.00 2.94 H new ATOM 0 HG3 GLN A 105 -0.008 7.972 -7.720 1.00 2.94 H new ATOM 0 HE21 GLN A 105 -3.559 7.842 -7.762 1.00 3.54 H new ATOM 0 HE22 GLN A 105 -3.705 7.190 -9.398 1.00 3.54 H new ATOM 1419 N VAL A 106 -2.196 10.466 -4.622 1.00 2.27 N ATOM 1420 CA VAL A 106 -2.509 11.890 -4.588 1.00 2.38 C ATOM 1421 C VAL A 106 -1.600 12.640 -3.619 1.00 2.16 C ATOM 1422 O VAL A 106 -0.912 13.587 -4.006 1.00 2.35 O ATOM 1423 CB VAL A 106 -3.981 12.131 -4.183 1.00 2.38 C ATOM 1424 CG1 VAL A 106 -4.297 13.620 -4.136 1.00 2.65 C ATOM 1425 CG2 VAL A 106 -4.924 11.417 -5.139 1.00 2.59 C ATOM 0 H VAL A 106 -2.937 9.867 -4.258 1.00 2.27 H new ATOM 0 HA VAL A 106 -2.345 12.270 -5.597 1.00 2.38 H new ATOM 0 HB VAL A 106 -4.126 11.721 -3.183 1.00 2.38 H new ATOM 0 HG11 VAL A 106 -5.339 13.762 -3.849 1.00 2.65 H new ATOM 0 HG12 VAL A 106 -3.650 14.106 -3.406 1.00 2.65 H new ATOM 0 HG13 VAL A 106 -4.129 14.059 -5.120 1.00 2.65 H new ATOM 0 HG21 VAL A 106 -5.955 11.599 -4.837 1.00 2.59 H new ATOM 0 HG22 VAL A 106 -4.771 11.793 -6.150 1.00 2.59 H new ATOM 0 HG23 VAL A 106 -4.723 10.346 -5.116 1.00 2.59 H new ATOM 1435 N LEU A 107 -1.598 12.212 -2.365 1.00 1.79 N ATOM 1436 CA LEU A 107 -0.833 12.893 -1.331 1.00 1.60 C ATOM 1437 C LEU A 107 0.661 12.763 -1.563 1.00 1.52 C ATOM 1438 O LEU A 107 1.404 13.715 -1.333 1.00 1.55 O ATOM 1439 CB LEU A 107 -1.174 12.358 0.062 1.00 1.34 C ATOM 1440 CG LEU A 107 -0.343 12.974 1.195 1.00 1.29 C ATOM 1441 CD1 LEU A 107 -0.625 14.464 1.318 1.00 1.65 C ATOM 1442 CD2 LEU A 107 -0.612 12.273 2.515 1.00 1.28 C ATOM 0 H LEU A 107 -2.117 11.397 -2.039 1.00 1.79 H new ATOM 0 HA LEU A 107 -1.108 13.946 -1.385 1.00 1.60 H new ATOM 0 HB2 LEU A 107 -2.230 12.541 0.260 1.00 1.34 H new ATOM 0 HB3 LEU A 107 -1.031 11.277 0.068 1.00 1.34 H new ATOM 0 HG LEU A 107 0.710 12.839 0.949 1.00 1.29 H new ATOM 0 HD11 LEU A 107 -0.026 14.882 2.127 1.00 1.65 H new ATOM 0 HD12 LEU A 107 -0.369 14.961 0.382 1.00 1.65 H new ATOM 0 HD13 LEU A 107 -1.683 14.618 1.533 1.00 1.65 H new ATOM 0 HD21 LEU A 107 -0.009 12.731 3.299 1.00 1.28 H new ATOM 0 HD22 LEU A 107 -1.668 12.366 2.768 1.00 1.28 H new ATOM 0 HD23 LEU A 107 -0.352 11.218 2.426 1.00 1.28 H new ATOM 1454 N GLN A 108 1.098 11.594 -2.031 1.00 1.52 N ATOM 1455 CA GLN A 108 2.521 11.308 -2.134 1.00 1.55 C ATOM 1456 C GLN A 108 3.228 12.371 -2.955 1.00 1.80 C ATOM 1457 O GLN A 108 4.138 13.020 -2.463 1.00 1.70 O ATOM 1458 CB GLN A 108 2.769 9.923 -2.742 1.00 1.82 C ATOM 1459 CG GLN A 108 4.234 9.508 -2.742 1.00 2.00 C ATOM 1460 CD GLN A 108 4.881 9.588 -4.114 1.00 2.35 C ATOM 1461 OE1 GLN A 108 4.474 10.365 -4.974 1.00 2.80 O ATOM 1462 NE2 GLN A 108 5.923 8.801 -4.315 1.00 2.73 N ATOM 0 H GLN A 108 0.489 10.837 -2.342 1.00 1.52 H new ATOM 0 HA GLN A 108 2.929 11.316 -1.123 1.00 1.55 H new ATOM 0 HB2 GLN A 108 2.191 9.184 -2.187 1.00 1.82 H new ATOM 0 HB3 GLN A 108 2.398 9.914 -3.767 1.00 1.82 H new ATOM 0 HG2 GLN A 108 4.785 10.145 -2.050 1.00 2.00 H new ATOM 0 HG3 GLN A 108 4.315 8.487 -2.369 1.00 2.00 H new ATOM 0 HE21 GLN A 108 6.234 8.168 -3.578 1.00 2.73 H new ATOM 0 HE22 GLN A 108 6.417 8.827 -5.207 1.00 2.73 H new ATOM 1471 N GLN A 109 2.759 12.587 -4.176 1.00 2.17 N ATOM 1472 CA GLN A 109 3.409 13.519 -5.099 1.00 2.50 C ATOM 1473 C GLN A 109 3.497 14.922 -4.497 1.00 2.44 C ATOM 1474 O GLN A 109 4.482 15.635 -4.691 1.00 2.55 O ATOM 1475 CB GLN A 109 2.647 13.562 -6.427 1.00 2.91 C ATOM 1476 CG GLN A 109 2.352 12.186 -7.005 1.00 3.06 C ATOM 1477 CD GLN A 109 1.805 12.246 -8.417 1.00 3.50 C ATOM 1478 OE1 GLN A 109 0.593 12.351 -8.630 1.00 3.89 O ATOM 1479 NE2 GLN A 109 2.694 12.164 -9.394 1.00 3.94 N ATOM 0 H GLN A 109 1.929 12.131 -4.555 1.00 2.17 H new ATOM 0 HA GLN A 109 4.424 13.164 -5.279 1.00 2.50 H new ATOM 0 HB2 GLN A 109 1.707 14.094 -6.280 1.00 2.91 H new ATOM 0 HB3 GLN A 109 3.227 14.134 -7.151 1.00 2.91 H new ATOM 0 HG2 GLN A 109 3.265 11.591 -6.999 1.00 3.06 H new ATOM 0 HG3 GLN A 109 1.634 11.674 -6.364 1.00 3.06 H new ATOM 0 HE21 GLN A 109 3.686 12.078 -9.175 1.00 3.94 H new ATOM 0 HE22 GLN A 109 2.387 12.187 -10.366 1.00 3.94 H new ATOM 1488 N LYS A 110 2.465 15.301 -3.755 1.00 2.33 N ATOM 1489 CA LYS A 110 2.411 16.608 -3.108 1.00 2.41 C ATOM 1490 C LYS A 110 3.357 16.660 -1.912 1.00 2.13 C ATOM 1491 O LYS A 110 3.991 17.681 -1.643 1.00 2.31 O ATOM 1492 CB LYS A 110 0.985 16.898 -2.644 1.00 2.43 C ATOM 1493 CG LYS A 110 -0.033 16.851 -3.767 1.00 2.74 C ATOM 1494 CD LYS A 110 -1.446 17.043 -3.249 1.00 3.16 C ATOM 1495 CE LYS A 110 -2.454 17.008 -4.384 1.00 3.46 C ATOM 1496 NZ LYS A 110 -2.198 18.074 -5.387 1.00 3.52 N ATOM 0 H LYS A 110 1.646 14.717 -3.584 1.00 2.33 H new ATOM 0 HA LYS A 110 2.722 17.362 -3.831 1.00 2.41 H new ATOM 0 HB2 LYS A 110 0.705 16.174 -1.879 1.00 2.43 H new ATOM 0 HB3 LYS A 110 0.955 17.883 -2.177 1.00 2.43 H new ATOM 0 HG2 LYS A 110 0.195 17.626 -4.498 1.00 2.74 H new ATOM 0 HG3 LYS A 110 0.039 15.894 -4.284 1.00 2.74 H new ATOM 0 HD2 LYS A 110 -1.681 16.262 -2.526 1.00 3.16 H new ATOM 0 HD3 LYS A 110 -1.518 17.996 -2.724 1.00 3.16 H new ATOM 0 HE2 LYS A 110 -2.417 16.034 -4.872 1.00 3.46 H new ATOM 0 HE3 LYS A 110 -3.460 17.124 -3.980 1.00 3.46 H new ATOM 0 HZ1 LYS A 110 -3.039 18.195 -5.987 1.00 3.52 H new ATOM 0 HZ2 LYS A 110 -1.990 18.968 -4.898 1.00 3.52 H new ATOM 0 HZ3 LYS A 110 -1.386 17.806 -5.979 1.00 3.52 H new ATOM 1510 N TYR A 111 3.437 15.550 -1.197 1.00 1.71 N ATOM 1511 CA TYR A 111 4.256 15.453 0.001 1.00 1.44 C ATOM 1512 C TYR A 111 5.727 15.248 -0.347 1.00 1.40 C ATOM 1513 O TYR A 111 6.601 15.613 0.428 1.00 1.36 O ATOM 1514 CB TYR A 111 3.719 14.327 0.903 1.00 1.07 C ATOM 1515 CG TYR A 111 4.757 13.348 1.414 1.00 0.86 C ATOM 1516 CD1 TYR A 111 5.535 13.634 2.531 1.00 0.86 C ATOM 1517 CD2 TYR A 111 4.941 12.123 0.785 1.00 0.88 C ATOM 1518 CE1 TYR A 111 6.468 12.727 3.000 1.00 0.85 C ATOM 1519 CE2 TYR A 111 5.869 11.213 1.247 1.00 0.98 C ATOM 1520 CZ TYR A 111 6.630 11.518 2.355 1.00 0.95 C ATOM 1521 OH TYR A 111 7.562 10.615 2.813 1.00 1.20 O ATOM 0 H TYR A 111 2.937 14.692 -1.430 1.00 1.71 H new ATOM 0 HA TYR A 111 4.194 16.393 0.549 1.00 1.44 H new ATOM 0 HB2 TYR A 111 3.219 14.779 1.760 1.00 1.07 H new ATOM 0 HB3 TYR A 111 2.963 13.771 0.349 1.00 1.07 H new ATOM 0 HD1 TYR A 111 5.409 14.578 3.040 1.00 0.86 H new ATOM 0 HD2 TYR A 111 4.346 11.878 -0.082 1.00 0.88 H new ATOM 0 HE1 TYR A 111 7.067 12.964 3.867 1.00 0.85 H new ATOM 0 HE2 TYR A 111 5.999 10.267 0.743 1.00 0.98 H new ATOM 0 HH TYR A 111 7.509 10.557 3.790 1.00 1.20 H new ATOM 1531 N ILE A 112 5.994 14.677 -1.517 1.00 1.54 N ATOM 1532 CA ILE A 112 7.360 14.389 -1.949 1.00 1.64 C ATOM 1533 C ILE A 112 8.244 15.636 -1.886 1.00 1.90 C ATOM 1534 O ILE A 112 9.336 15.606 -1.318 1.00 1.83 O ATOM 1535 CB ILE A 112 7.383 13.817 -3.386 1.00 2.03 C ATOM 1536 CG1 ILE A 112 6.742 12.429 -3.434 1.00 1.94 C ATOM 1537 CG2 ILE A 112 8.795 13.752 -3.922 1.00 2.32 C ATOM 1538 CD1 ILE A 112 7.332 11.439 -2.451 1.00 1.76 C ATOM 0 H ILE A 112 5.277 14.402 -2.189 1.00 1.54 H new ATOM 0 HA ILE A 112 7.757 13.643 -1.261 1.00 1.64 H new ATOM 0 HB ILE A 112 6.803 14.491 -4.016 1.00 2.03 H new ATOM 0 HG12 ILE A 112 5.674 12.527 -3.237 1.00 1.94 H new ATOM 0 HG13 ILE A 112 6.845 12.028 -4.442 1.00 1.94 H new ATOM 0 HG21 ILE A 112 8.782 13.346 -4.934 1.00 2.32 H new ATOM 0 HG22 ILE A 112 9.224 14.754 -3.938 1.00 2.32 H new ATOM 0 HG23 ILE A 112 9.398 13.109 -3.281 1.00 2.32 H new ATOM 0 HD11 ILE A 112 6.822 10.481 -2.549 1.00 1.76 H new ATOM 0 HD12 ILE A 112 8.394 11.308 -2.659 1.00 1.76 H new ATOM 0 HD13 ILE A 112 7.205 11.815 -1.436 1.00 1.76 H new ATOM 1550 N GLU A 113 7.757 16.735 -2.443 1.00 2.24 N ATOM 1551 CA GLU A 113 8.508 17.983 -2.439 1.00 2.58 C ATOM 1552 C GLU A 113 8.609 18.569 -1.025 1.00 2.48 C ATOM 1553 O GLU A 113 9.572 19.261 -0.696 1.00 2.65 O ATOM 1554 CB GLU A 113 7.882 18.986 -3.415 1.00 2.96 C ATOM 1555 CG GLU A 113 6.377 19.141 -3.274 1.00 2.84 C ATOM 1556 CD GLU A 113 5.793 20.061 -4.323 1.00 3.22 C ATOM 1557 OE1 GLU A 113 5.733 21.285 -4.079 1.00 3.39 O ATOM 1558 OE2 GLU A 113 5.395 19.572 -5.400 1.00 3.38 O ATOM 0 H GLU A 113 6.848 16.789 -2.902 1.00 2.24 H new ATOM 0 HA GLU A 113 9.524 17.771 -2.773 1.00 2.58 H new ATOM 0 HB2 GLU A 113 8.351 19.959 -3.268 1.00 2.96 H new ATOM 0 HB3 GLU A 113 8.109 18.673 -4.434 1.00 2.96 H new ATOM 0 HG2 GLU A 113 5.905 18.162 -3.350 1.00 2.84 H new ATOM 0 HG3 GLU A 113 6.146 19.531 -2.283 1.00 2.84 H new ATOM 1565 N ALA A 114 7.618 18.282 -0.189 1.00 2.26 N ATOM 1566 CA ALA A 114 7.635 18.726 1.201 1.00 2.27 C ATOM 1567 C ALA A 114 8.595 17.871 2.028 1.00 1.97 C ATOM 1568 O ALA A 114 9.222 18.347 2.975 1.00 2.10 O ATOM 1569 CB ALA A 114 6.231 18.672 1.790 1.00 2.27 C ATOM 0 H ALA A 114 6.792 17.743 -0.449 1.00 2.26 H new ATOM 0 HA ALA A 114 7.985 19.758 1.230 1.00 2.27 H new ATOM 0 HB1 ALA A 114 6.258 19.006 2.827 1.00 2.27 H new ATOM 0 HB2 ALA A 114 5.571 19.323 1.217 1.00 2.27 H new ATOM 0 HB3 ALA A 114 5.858 17.649 1.748 1.00 2.27 H new ATOM 1575 N ALA A 115 8.708 16.607 1.639 1.00 1.61 N ATOM 1576 CA ALA A 115 9.535 15.629 2.334 1.00 1.34 C ATOM 1577 C ALA A 115 10.998 16.045 2.372 1.00 1.53 C ATOM 1578 O ALA A 115 11.708 15.720 3.318 1.00 1.48 O ATOM 1579 CB ALA A 115 9.400 14.267 1.684 1.00 1.05 C ATOM 0 H ALA A 115 8.224 16.229 0.825 1.00 1.61 H new ATOM 0 HA ALA A 115 9.179 15.576 3.363 1.00 1.34 H new ATOM 0 HB1 ALA A 115 10.024 13.547 2.214 1.00 1.05 H new ATOM 0 HB2 ALA A 115 8.359 13.946 1.726 1.00 1.05 H new ATOM 0 HB3 ALA A 115 9.720 14.327 0.644 1.00 1.05 H new ATOM 1585 N LYS A 116 11.441 16.745 1.336 1.00 1.88 N ATOM 1586 CA LYS A 116 12.825 17.207 1.246 1.00 2.19 C ATOM 1587 C LYS A 116 13.214 18.018 2.479 1.00 2.40 C ATOM 1588 O LYS A 116 14.295 17.834 3.035 1.00 2.52 O ATOM 1589 CB LYS A 116 13.000 18.062 -0.012 1.00 2.68 C ATOM 1590 CG LYS A 116 14.377 18.694 -0.142 1.00 3.37 C ATOM 1591 CD LYS A 116 14.482 19.541 -1.398 1.00 3.86 C ATOM 1592 CE LYS A 116 15.794 20.310 -1.442 1.00 4.63 C ATOM 1593 NZ LYS A 116 15.896 21.166 -2.653 1.00 5.33 N ATOM 0 H LYS A 116 10.860 17.008 0.540 1.00 1.88 H new ATOM 0 HA LYS A 116 13.476 16.335 1.192 1.00 2.19 H new ATOM 0 HB2 LYS A 116 12.811 17.443 -0.889 1.00 2.68 H new ATOM 0 HB3 LYS A 116 12.248 18.851 -0.011 1.00 2.68 H new ATOM 0 HG2 LYS A 116 14.580 19.312 0.733 1.00 3.37 H new ATOM 0 HG3 LYS A 116 15.137 17.913 -0.164 1.00 3.37 H new ATOM 0 HD2 LYS A 116 14.404 18.902 -2.277 1.00 3.86 H new ATOM 0 HD3 LYS A 116 13.647 20.241 -1.437 1.00 3.86 H new ATOM 0 HE2 LYS A 116 15.881 20.931 -0.550 1.00 4.63 H new ATOM 0 HE3 LYS A 116 16.627 19.607 -1.423 1.00 4.63 H new ATOM 0 HZ1 LYS A 116 16.804 21.673 -2.645 1.00 5.33 H new ATOM 0 HZ2 LYS A 116 15.839 20.571 -3.504 1.00 5.33 H new ATOM 0 HZ3 LYS A 116 15.116 21.854 -2.659 1.00 5.33 H new ATOM 1607 N ALA A 117 12.326 18.897 2.915 1.00 2.54 N ATOM 1608 CA ALA A 117 12.599 19.741 4.069 1.00 2.90 C ATOM 1609 C ALA A 117 12.433 18.973 5.376 1.00 2.77 C ATOM 1610 O ALA A 117 12.968 19.370 6.409 1.00 3.10 O ATOM 1611 CB ALA A 117 11.697 20.963 4.057 1.00 3.22 C ATOM 0 H ALA A 117 11.411 19.045 2.489 1.00 2.54 H new ATOM 0 HA ALA A 117 13.637 20.066 4.003 1.00 2.90 H new ATOM 0 HB1 ALA A 117 11.914 21.584 4.926 1.00 3.22 H new ATOM 0 HB2 ALA A 117 11.874 21.537 3.148 1.00 3.22 H new ATOM 0 HB3 ALA A 117 10.655 20.646 4.088 1.00 3.22 H new ATOM 1617 N GLN A 118 11.701 17.868 5.330 1.00 2.39 N ATOM 1618 CA GLN A 118 11.402 17.111 6.535 1.00 2.49 C ATOM 1619 C GLN A 118 12.375 15.951 6.713 1.00 2.15 C ATOM 1620 O GLN A 118 12.525 15.412 7.809 1.00 2.38 O ATOM 1621 CB GLN A 118 9.966 16.583 6.478 1.00 2.51 C ATOM 1622 CG GLN A 118 8.921 17.679 6.321 1.00 2.84 C ATOM 1623 CD GLN A 118 7.516 17.137 6.123 1.00 3.65 C ATOM 1624 OE1 GLN A 118 7.171 16.061 6.613 1.00 4.26 O ATOM 1625 NE2 GLN A 118 6.697 17.883 5.402 1.00 4.11 N ATOM 0 H GLN A 118 11.305 17.478 4.474 1.00 2.39 H new ATOM 0 HA GLN A 118 11.509 17.779 7.390 1.00 2.49 H new ATOM 0 HB2 GLN A 118 9.877 15.885 5.645 1.00 2.51 H new ATOM 0 HB3 GLN A 118 9.758 16.021 7.389 1.00 2.51 H new ATOM 0 HG2 GLN A 118 8.937 18.317 7.204 1.00 2.84 H new ATOM 0 HG3 GLN A 118 9.186 18.306 5.470 1.00 2.84 H new ATOM 0 HE21 GLN A 118 7.022 18.768 5.014 1.00 4.11 H new ATOM 0 HE22 GLN A 118 5.740 17.573 5.234 1.00 4.11 H new ATOM 1634 N GLY A 119 13.039 15.583 5.619 1.00 1.70 N ATOM 1635 CA GLY A 119 13.916 14.427 5.623 1.00 1.43 C ATOM 1636 C GLY A 119 13.149 13.161 5.938 1.00 1.34 C ATOM 1637 O GLY A 119 13.684 12.242 6.556 1.00 1.54 O ATOM 0 H GLY A 119 12.983 16.070 4.725 1.00 1.70 H new ATOM 0 HA2 GLY A 119 14.399 14.330 4.651 1.00 1.43 H new ATOM 0 HA3 GLY A 119 14.707 14.569 6.360 1.00 1.43 H new ATOM 1641 N ASN A 120 11.893 13.123 5.497 1.00 1.24 N ATOM 1642 CA ASN A 120 10.970 12.057 5.878 1.00 1.39 C ATOM 1643 C ASN A 120 11.391 10.717 5.291 1.00 1.45 C ATOM 1644 O ASN A 120 11.940 9.866 5.992 1.00 1.95 O ATOM 1645 CB ASN A 120 9.543 12.396 5.442 1.00 1.27 C ATOM 1646 CG ASN A 120 8.521 11.441 6.032 1.00 1.82 C ATOM 1647 OD1 ASN A 120 8.134 10.455 5.406 1.00 2.53 O ATOM 1648 ND2 ASN A 120 8.091 11.718 7.250 1.00 2.21 N ATOM 0 H ASN A 120 11.490 13.822 4.873 1.00 1.24 H new ATOM 0 HA ASN A 120 10.998 11.974 6.964 1.00 1.39 H new ATOM 0 HB2 ASN A 120 9.304 13.415 5.747 1.00 1.27 H new ATOM 0 HB3 ASN A 120 9.480 12.366 4.354 1.00 1.27 H new ATOM 0 HD21 ASN A 120 7.414 11.104 7.704 1.00 2.21 H new ATOM 0 HD22 ASN A 120 8.436 12.545 7.737 1.00 2.21 H new ATOM 1655 N TYR A 121 11.121 10.523 4.010 1.00 1.30 N ATOM 1656 CA TYR A 121 11.550 9.317 3.325 1.00 1.75 C ATOM 1657 C TYR A 121 12.870 9.596 2.626 1.00 2.10 C ATOM 1658 O TYR A 121 13.215 10.752 2.379 1.00 2.00 O ATOM 1659 CB TYR A 121 10.490 8.850 2.317 1.00 1.93 C ATOM 1660 CG TYR A 121 10.504 9.590 1.003 1.00 1.84 C ATOM 1661 CD1 TYR A 121 10.043 10.896 0.911 1.00 1.49 C ATOM 1662 CD2 TYR A 121 10.973 8.974 -0.152 1.00 2.37 C ATOM 1663 CE1 TYR A 121 10.052 11.567 -0.295 1.00 1.88 C ATOM 1664 CE2 TYR A 121 10.981 9.640 -1.352 1.00 2.63 C ATOM 1665 CZ TYR A 121 10.522 10.932 -1.423 1.00 2.44 C ATOM 1666 OH TYR A 121 10.546 11.596 -2.628 1.00 2.96 O ATOM 0 H TYR A 121 10.608 11.184 3.426 1.00 1.30 H new ATOM 0 HA TYR A 121 11.682 8.516 4.052 1.00 1.75 H new ATOM 0 HB2 TYR A 121 10.636 7.788 2.122 1.00 1.93 H new ATOM 0 HB3 TYR A 121 9.504 8.959 2.770 1.00 1.93 H new ATOM 0 HD1 TYR A 121 9.672 11.394 1.795 1.00 1.49 H new ATOM 0 HD2 TYR A 121 11.336 7.958 -0.104 1.00 2.37 H new ATOM 0 HE1 TYR A 121 9.693 12.584 -0.354 1.00 1.88 H new ATOM 0 HE2 TYR A 121 11.348 9.148 -2.240 1.00 2.63 H new ATOM 0 HH TYR A 121 10.816 10.976 -3.338 1.00 2.96 H new ATOM 1676 N TYR A 122 13.613 8.554 2.321 1.00 2.67 N ATOM 1677 CA TYR A 122 14.917 8.721 1.713 1.00 3.13 C ATOM 1678 C TYR A 122 14.802 8.730 0.202 1.00 3.72 C ATOM 1679 O TYR A 122 14.389 7.746 -0.414 1.00 4.31 O ATOM 1680 CB TYR A 122 15.865 7.630 2.194 1.00 3.73 C ATOM 1681 CG TYR A 122 16.061 7.680 3.688 1.00 3.61 C ATOM 1682 CD1 TYR A 122 16.898 8.626 4.259 1.00 3.33 C ATOM 1683 CD2 TYR A 122 15.385 6.806 4.527 1.00 4.03 C ATOM 1684 CE1 TYR A 122 17.063 8.698 5.626 1.00 3.56 C ATOM 1685 CE2 TYR A 122 15.541 6.873 5.897 1.00 4.27 C ATOM 1686 CZ TYR A 122 16.380 7.820 6.442 1.00 4.06 C ATOM 1687 OH TYR A 122 16.534 7.890 7.809 1.00 4.56 O ATOM 0 H TYR A 122 13.339 7.585 2.483 1.00 2.67 H new ATOM 0 HA TYR A 122 15.329 9.683 2.018 1.00 3.13 H new ATOM 0 HB2 TYR A 122 15.470 6.654 1.911 1.00 3.73 H new ATOM 0 HB3 TYR A 122 16.829 7.740 1.697 1.00 3.73 H new ATOM 0 HD1 TYR A 122 17.430 9.318 3.623 1.00 3.33 H new ATOM 0 HD2 TYR A 122 14.727 6.062 4.102 1.00 4.03 H new ATOM 0 HE1 TYR A 122 17.723 9.437 6.055 1.00 3.56 H new ATOM 0 HE2 TYR A 122 15.008 6.187 6.538 1.00 4.27 H new ATOM 0 HH TYR A 122 15.982 7.202 8.236 1.00 4.56 H new ATOM 1697 N ASP A 123 15.141 9.864 -0.387 1.00 3.75 N ATOM 1698 CA ASP A 123 15.036 10.027 -1.823 1.00 4.50 C ATOM 1699 C ASP A 123 16.249 10.731 -2.375 1.00 5.02 C ATOM 1700 O ASP A 123 16.772 11.652 -1.761 1.00 4.95 O ATOM 1701 CB ASP A 123 13.809 10.831 -2.179 1.00 4.60 C ATOM 1702 CG ASP A 123 13.415 10.633 -3.615 1.00 5.59 C ATOM 1703 OD1 ASP A 123 13.964 11.325 -4.491 1.00 6.03 O ATOM 1704 OD2 ASP A 123 12.568 9.762 -3.867 1.00 6.07 O ATOM 0 H ASP A 123 15.491 10.684 0.109 1.00 3.75 H new ATOM 0 HA ASP A 123 14.964 9.031 -2.260 1.00 4.50 H new ATOM 0 HB2 ASP A 123 12.982 10.540 -1.531 1.00 4.60 H new ATOM 0 HB3 ASP A 123 14.001 11.888 -1.996 1.00 4.60 H new ATOM 1709 N GLU A 124 16.670 10.306 -3.547 1.00 5.61 N ATOM 1710 CA GLU A 124 17.881 10.828 -4.162 1.00 6.14 C ATOM 1711 C GLU A 124 17.594 12.107 -4.945 1.00 6.31 C ATOM 1712 O GLU A 124 18.513 12.798 -5.384 1.00 6.67 O ATOM 1713 CB GLU A 124 18.494 9.771 -5.077 1.00 6.59 C ATOM 1714 CG GLU A 124 19.972 9.978 -5.345 1.00 7.12 C ATOM 1715 CD GLU A 124 20.582 8.830 -6.116 1.00 7.79 C ATOM 1716 OE1 GLU A 124 20.879 7.791 -5.498 1.00 7.99 O ATOM 1717 OE2 GLU A 124 20.756 8.958 -7.343 1.00 8.29 O ATOM 0 H GLU A 124 16.191 9.595 -4.100 1.00 5.61 H new ATOM 0 HA GLU A 124 18.590 11.073 -3.371 1.00 6.14 H new ATOM 0 HB2 GLU A 124 18.349 8.788 -4.629 1.00 6.59 H new ATOM 0 HB3 GLU A 124 17.958 9.771 -6.026 1.00 6.59 H new ATOM 0 HG2 GLU A 124 20.111 10.903 -5.904 1.00 7.12 H new ATOM 0 HG3 GLU A 124 20.498 10.096 -4.397 1.00 7.12 H new ATOM 1724 N THR A 125 16.320 12.410 -5.133 1.00 6.17 N ATOM 1725 CA THR A 125 15.922 13.577 -5.901 1.00 6.47 C ATOM 1726 C THR A 125 15.285 14.622 -4.998 1.00 6.03 C ATOM 1727 O THR A 125 14.451 15.420 -5.430 1.00 6.09 O ATOM 1728 CB THR A 125 14.951 13.176 -7.032 1.00 6.84 C ATOM 1729 OG1 THR A 125 15.409 11.962 -7.643 1.00 7.20 O ATOM 1730 CG2 THR A 125 14.862 14.261 -8.098 1.00 7.49 C ATOM 0 H THR A 125 15.543 11.862 -4.763 1.00 6.17 H new ATOM 0 HA THR A 125 16.815 14.011 -6.351 1.00 6.47 H new ATOM 0 HB THR A 125 13.962 13.037 -6.595 1.00 6.84 H new ATOM 0 HG1 THR A 125 14.663 11.330 -7.714 1.00 7.20 H new ATOM 0 HG21 THR A 125 14.170 13.947 -8.880 1.00 7.49 H new ATOM 0 HG22 THR A 125 14.504 15.186 -7.646 1.00 7.49 H new ATOM 0 HG23 THR A 125 15.848 14.427 -8.532 1.00 7.49 H new ATOM 1738 N ALA A 126 15.712 14.640 -3.742 1.00 5.77 N ATOM 1739 CA ALA A 126 15.118 15.529 -2.766 1.00 5.47 C ATOM 1740 C ALA A 126 15.872 15.506 -1.441 1.00 4.50 C ATOM 1741 O ALA A 126 16.465 16.507 -1.035 1.00 4.91 O ATOM 1742 CB ALA A 126 13.665 15.143 -2.558 1.00 5.63 C ATOM 0 H ALA A 126 16.463 14.051 -3.382 1.00 5.77 H new ATOM 0 HA ALA A 126 15.179 16.548 -3.149 1.00 5.47 H new ATOM 0 HB1 ALA A 126 13.213 15.810 -1.824 1.00 5.63 H new ATOM 0 HB2 ALA A 126 13.128 15.226 -3.503 1.00 5.63 H new ATOM 0 HB3 ALA A 126 13.609 14.116 -2.198 1.00 5.63 H new ATOM 1748 N VAL A 127 15.869 14.358 -0.784 1.00 3.48 N ATOM 1749 CA VAL A 127 16.396 14.256 0.570 1.00 2.73 C ATOM 1750 C VAL A 127 17.874 13.867 0.576 1.00 2.65 C ATOM 1751 O VAL A 127 18.741 14.704 0.830 1.00 3.08 O ATOM 1752 CB VAL A 127 15.584 13.239 1.402 1.00 2.31 C ATOM 1753 CG1 VAL A 127 16.086 13.178 2.837 1.00 2.08 C ATOM 1754 CG2 VAL A 127 14.103 13.587 1.370 1.00 2.92 C ATOM 0 H VAL A 127 15.508 13.483 -1.165 1.00 3.48 H new ATOM 0 HA VAL A 127 16.303 15.243 1.023 1.00 2.73 H new ATOM 0 HB VAL A 127 15.721 12.254 0.956 1.00 2.31 H new ATOM 0 HG11 VAL A 127 15.496 12.454 3.399 1.00 2.08 H new ATOM 0 HG12 VAL A 127 17.133 12.876 2.844 1.00 2.08 H new ATOM 0 HG13 VAL A 127 15.989 14.161 3.298 1.00 2.08 H new ATOM 0 HG21 VAL A 127 13.546 12.860 1.961 1.00 2.92 H new ATOM 0 HG22 VAL A 127 13.954 14.584 1.786 1.00 2.92 H new ATOM 0 HG23 VAL A 127 13.747 13.567 0.340 1.00 2.92 H new ATOM 1764 N GLU A 128 18.152 12.604 0.280 1.00 2.76 N ATOM 1765 CA GLU A 128 19.501 12.060 0.378 1.00 3.28 C ATOM 1766 C GLU A 128 19.798 11.084 -0.761 1.00 3.54 C ATOM 1767 O GLU A 128 20.299 11.477 -1.815 1.00 3.81 O ATOM 1768 CB GLU A 128 19.673 11.356 1.725 1.00 3.77 C ATOM 1769 CG GLU A 128 19.734 12.308 2.903 1.00 3.82 C ATOM 1770 CD GLU A 128 21.116 12.895 3.090 1.00 4.24 C ATOM 1771 OE1 GLU A 128 21.996 12.181 3.617 1.00 4.39 O ATOM 1772 OE2 GLU A 128 21.338 14.061 2.705 1.00 4.61 O ATOM 0 H GLU A 128 17.453 11.930 -0.033 1.00 2.76 H new ATOM 0 HA GLU A 128 20.206 12.887 0.300 1.00 3.28 H new ATOM 0 HB2 GLU A 128 18.845 10.662 1.871 1.00 3.77 H new ATOM 0 HB3 GLU A 128 20.586 10.762 1.701 1.00 3.77 H new ATOM 0 HG2 GLU A 128 19.015 13.114 2.755 1.00 3.82 H new ATOM 0 HG3 GLU A 128 19.439 11.781 3.810 1.00 3.82 H new ATOM 1779 N ALA A 129 19.461 9.815 -0.554 1.00 3.72 N ATOM 1780 CA ALA A 129 19.758 8.767 -1.521 1.00 4.09 C ATOM 1781 C ALA A 129 18.485 8.030 -1.899 1.00 3.91 C ATOM 1782 O ALA A 129 17.505 8.097 -1.165 1.00 4.20 O ATOM 1783 CB ALA A 129 20.789 7.806 -0.955 1.00 4.54 C ATOM 0 H ALA A 129 18.978 9.487 0.282 1.00 3.72 H new ATOM 0 HA ALA A 129 20.173 9.222 -2.420 1.00 4.09 H new ATOM 0 HB1 ALA A 129 21.002 7.028 -1.688 1.00 4.54 H new ATOM 0 HB2 ALA A 129 21.706 8.349 -0.726 1.00 4.54 H new ATOM 0 HB3 ALA A 129 20.400 7.350 -0.044 1.00 4.54 H new ATOM 1789 N ASN A 130 18.484 7.329 -3.026 1.00 3.91 N ATOM 1790 CA ASN A 130 17.248 6.726 -3.516 1.00 4.07 C ATOM 1791 C ASN A 130 16.840 5.539 -2.678 1.00 3.85 C ATOM 1792 O ASN A 130 15.673 5.380 -2.332 1.00 4.22 O ATOM 1793 CB ASN A 130 17.335 6.323 -4.992 1.00 4.73 C ATOM 1794 CG ASN A 130 18.286 5.175 -5.288 1.00 5.67 C ATOM 1795 OD1 ASN A 130 17.869 4.019 -5.334 1.00 6.13 O ATOM 1796 ND2 ASN A 130 19.554 5.478 -5.516 1.00 6.24 N ATOM 0 H ASN A 130 19.305 7.165 -3.608 1.00 3.91 H new ATOM 0 HA ASN A 130 16.482 7.496 -3.429 1.00 4.07 H new ATOM 0 HB2 ASN A 130 16.338 6.048 -5.338 1.00 4.73 H new ATOM 0 HB3 ASN A 130 17.646 7.192 -5.573 1.00 4.73 H new ATOM 0 HD21 ASN A 130 20.222 4.741 -5.739 1.00 6.24 H new ATOM 0 HD22 ASN A 130 19.863 6.449 -5.469 1.00 6.24 H new ATOM 1803 N ARG A 131 17.796 4.721 -2.342 1.00 3.45 N ATOM 1804 CA ARG A 131 17.504 3.518 -1.603 1.00 3.26 C ATOM 1805 C ARG A 131 18.392 3.383 -0.386 1.00 3.06 C ATOM 1806 O ARG A 131 19.595 3.634 -0.429 1.00 3.08 O ATOM 1807 CB ARG A 131 17.648 2.283 -2.493 1.00 3.22 C ATOM 1808 CG ARG A 131 19.046 2.081 -3.054 1.00 2.92 C ATOM 1809 CD ARG A 131 19.061 1.002 -4.121 1.00 3.20 C ATOM 1810 NE ARG A 131 18.058 1.254 -5.154 1.00 3.35 N ATOM 1811 CZ ARG A 131 17.692 0.366 -6.076 1.00 3.92 C ATOM 1812 NH1 ARG A 131 18.357 -0.773 -6.212 1.00 4.41 N ATOM 1813 NH2 ARG A 131 16.696 0.648 -6.903 1.00 4.47 N ATOM 0 H ARG A 131 18.782 4.861 -2.565 1.00 3.45 H new ATOM 0 HA ARG A 131 16.471 3.591 -1.264 1.00 3.26 H new ATOM 0 HB2 ARG A 131 17.368 1.400 -1.919 1.00 3.22 H new ATOM 0 HB3 ARG A 131 16.944 2.361 -3.321 1.00 3.22 H new ATOM 0 HG2 ARG A 131 19.410 3.018 -3.476 1.00 2.92 H new ATOM 0 HG3 ARG A 131 19.728 1.808 -2.248 1.00 2.92 H new ATOM 0 HD2 ARG A 131 20.050 0.954 -4.577 1.00 3.20 H new ATOM 0 HD3 ARG A 131 18.875 0.032 -3.661 1.00 3.20 H new ATOM 0 HE ARG A 131 17.609 2.170 -5.169 1.00 3.35 H new ATOM 0 HH11 ARG A 131 19.154 -0.973 -5.608 1.00 4.41 H new ATOM 0 HH12 ARG A 131 18.071 -1.449 -6.920 1.00 4.41 H new ATOM 0 HH21 ARG A 131 16.212 1.543 -6.832 1.00 4.47 H new ATOM 0 HH22 ARG A 131 16.413 -0.030 -7.611 1.00 4.47 H new ATOM 1827 N THR A 132 17.767 3.020 0.703 1.00 2.94 N ATOM 1828 CA THR A 132 18.478 2.625 1.909 1.00 2.79 C ATOM 1829 C THR A 132 18.915 1.172 1.786 1.00 2.35 C ATOM 1830 O THR A 132 18.631 0.535 0.773 1.00 2.23 O ATOM 1831 CB THR A 132 17.600 2.785 3.161 1.00 2.88 C ATOM 1832 OG1 THR A 132 16.331 2.156 2.945 1.00 2.70 O ATOM 1833 CG2 THR A 132 17.399 4.250 3.501 1.00 3.39 C ATOM 0 H THR A 132 16.751 2.987 0.788 1.00 2.94 H new ATOM 0 HA THR A 132 19.346 3.275 2.016 1.00 2.79 H new ATOM 0 HB THR A 132 18.106 2.307 4.000 1.00 2.88 H new ATOM 0 HG1 THR A 132 15.767 2.738 2.395 1.00 2.70 H new ATOM 0 HG21 THR A 132 16.775 4.335 4.390 1.00 3.39 H new ATOM 0 HG22 THR A 132 18.366 4.715 3.691 1.00 3.39 H new ATOM 0 HG23 THR A 132 16.912 4.754 2.666 1.00 3.39 H new ATOM 1841 N ASN A 133 19.602 0.648 2.796 1.00 2.14 N ATOM 1842 CA ASN A 133 20.006 -0.758 2.789 1.00 1.75 C ATOM 1843 C ASN A 133 18.784 -1.651 2.601 1.00 1.43 C ATOM 1844 O ASN A 133 18.791 -2.550 1.768 1.00 1.24 O ATOM 1845 CB ASN A 133 20.728 -1.124 4.088 1.00 1.68 C ATOM 1846 CG ASN A 133 21.209 -2.567 4.107 1.00 1.97 C ATOM 1847 OD1 ASN A 133 21.539 -3.143 3.069 1.00 2.70 O ATOM 1848 ND2 ASN A 133 21.260 -3.158 5.290 1.00 2.28 N ATOM 0 H ASN A 133 19.890 1.169 3.624 1.00 2.14 H new ATOM 0 HA ASN A 133 20.695 -0.913 1.959 1.00 1.75 H new ATOM 0 HB2 ASN A 133 21.581 -0.459 4.224 1.00 1.68 H new ATOM 0 HB3 ASN A 133 20.057 -0.958 4.931 1.00 1.68 H new ATOM 0 HD21 ASN A 133 21.581 -4.123 5.364 1.00 2.28 H new ATOM 0 HD22 ASN A 133 20.978 -2.648 6.127 1.00 2.28 H new ATOM 1855 N GLU A 134 17.729 -1.365 3.359 1.00 1.55 N ATOM 1856 CA GLU A 134 16.471 -2.101 3.259 1.00 1.48 C ATOM 1857 C GLU A 134 15.955 -2.082 1.823 1.00 1.39 C ATOM 1858 O GLU A 134 15.685 -3.123 1.230 1.00 1.15 O ATOM 1859 CB GLU A 134 15.435 -1.467 4.179 1.00 1.95 C ATOM 1860 CG GLU A 134 14.131 -2.236 4.278 1.00 2.07 C ATOM 1861 CD GLU A 134 12.949 -1.320 4.497 1.00 2.61 C ATOM 1862 OE1 GLU A 134 12.667 -0.968 5.662 1.00 3.06 O ATOM 1863 OE2 GLU A 134 12.302 -0.935 3.506 1.00 2.80 O ATOM 0 H GLU A 134 17.721 -0.621 4.056 1.00 1.55 H new ATOM 0 HA GLU A 134 16.645 -3.135 3.557 1.00 1.48 H new ATOM 0 HB2 GLU A 134 15.863 -1.371 5.177 1.00 1.95 H new ATOM 0 HB3 GLU A 134 15.222 -0.458 3.826 1.00 1.95 H new ATOM 0 HG2 GLU A 134 13.979 -2.812 3.365 1.00 2.07 H new ATOM 0 HG3 GLU A 134 14.193 -2.951 5.099 1.00 2.07 H new ATOM 1870 N GLN A 135 15.840 -0.885 1.273 1.00 1.69 N ATOM 1871 CA GLN A 135 15.351 -0.695 -0.086 1.00 1.74 C ATOM 1872 C GLN A 135 16.266 -1.367 -1.107 1.00 1.59 C ATOM 1873 O GLN A 135 15.805 -1.893 -2.121 1.00 1.53 O ATOM 1874 CB GLN A 135 15.230 0.792 -0.369 1.00 2.24 C ATOM 1875 CG GLN A 135 14.245 1.484 0.552 1.00 2.52 C ATOM 1876 CD GLN A 135 14.237 2.989 0.391 1.00 3.08 C ATOM 1877 OE1 GLN A 135 15.001 3.696 1.050 1.00 3.57 O ATOM 1878 NE2 GLN A 135 13.375 3.489 -0.476 1.00 3.65 N ATOM 0 H GLN A 135 16.082 -0.018 1.753 1.00 1.69 H new ATOM 0 HA GLN A 135 14.371 -1.163 -0.175 1.00 1.74 H new ATOM 0 HB2 GLN A 135 16.209 1.259 -0.264 1.00 2.24 H new ATOM 0 HB3 GLN A 135 14.918 0.937 -1.403 1.00 2.24 H new ATOM 0 HG2 GLN A 135 13.244 1.099 0.359 1.00 2.52 H new ATOM 0 HG3 GLN A 135 14.488 1.237 1.585 1.00 2.52 H new ATOM 0 HE21 GLN A 135 12.761 2.867 -1.001 1.00 3.65 H new ATOM 0 HE22 GLN A 135 13.324 4.497 -0.621 1.00 3.65 H new ATOM 1887 N ARG A 136 17.560 -1.330 -0.838 1.00 1.68 N ATOM 1888 CA ARG A 136 18.538 -2.046 -1.649 1.00 1.76 C ATOM 1889 C ARG A 136 18.281 -3.551 -1.593 1.00 1.42 C ATOM 1890 O ARG A 136 18.384 -4.241 -2.605 1.00 1.56 O ATOM 1891 CB ARG A 136 19.954 -1.724 -1.166 1.00 2.00 C ATOM 1892 CG ARG A 136 21.057 -2.484 -1.887 1.00 2.30 C ATOM 1893 CD ARG A 136 20.988 -2.299 -3.396 1.00 2.66 C ATOM 1894 NE ARG A 136 22.252 -2.649 -4.042 1.00 2.94 N ATOM 1895 CZ ARG A 136 22.359 -3.131 -5.281 1.00 3.26 C ATOM 1896 NH1 ARG A 136 21.275 -3.410 -5.988 1.00 3.40 N ATOM 1897 NH2 ARG A 136 23.560 -3.356 -5.800 1.00 3.70 N ATOM 0 H ARG A 136 17.963 -0.809 -0.059 1.00 1.68 H new ATOM 0 HA ARG A 136 18.439 -1.722 -2.685 1.00 1.76 H new ATOM 0 HB2 ARG A 136 20.130 -0.655 -1.285 1.00 2.00 H new ATOM 0 HB3 ARG A 136 20.018 -1.941 -0.100 1.00 2.00 H new ATOM 0 HG2 ARG A 136 22.027 -2.144 -1.525 1.00 2.30 H new ATOM 0 HG3 ARG A 136 20.981 -3.545 -1.648 1.00 2.30 H new ATOM 0 HD2 ARG A 136 20.188 -2.918 -3.802 1.00 2.66 H new ATOM 0 HD3 ARG A 136 20.737 -1.263 -3.625 1.00 2.66 H new ATOM 0 HE ARG A 136 23.111 -2.515 -3.509 1.00 2.94 H new ATOM 0 HH11 ARG A 136 20.350 -3.257 -5.586 1.00 3.40 H new ATOM 0 HH12 ARG A 136 21.365 -3.778 -6.935 1.00 3.40 H new ATOM 0 HH21 ARG A 136 24.397 -3.160 -5.252 1.00 3.70 H new ATOM 0 HH22 ARG A 136 23.645 -3.725 -6.747 1.00 3.70 H new ATOM 1911 N ILE A 137 17.929 -4.044 -0.411 1.00 1.12 N ATOM 1912 CA ILE A 137 17.603 -5.449 -0.233 1.00 1.04 C ATOM 1913 C ILE A 137 16.402 -5.826 -1.090 1.00 1.00 C ATOM 1914 O ILE A 137 16.364 -6.905 -1.665 1.00 1.21 O ATOM 1915 CB ILE A 137 17.324 -5.775 1.247 1.00 0.98 C ATOM 1916 CG1 ILE A 137 18.578 -5.507 2.079 1.00 1.06 C ATOM 1917 CG2 ILE A 137 16.877 -7.219 1.406 1.00 1.30 C ATOM 1918 CD1 ILE A 137 18.356 -5.608 3.570 1.00 1.23 C ATOM 0 H ILE A 137 17.863 -3.486 0.440 1.00 1.12 H new ATOM 0 HA ILE A 137 18.465 -6.036 -0.551 1.00 1.04 H new ATOM 0 HB ILE A 137 16.518 -5.133 1.602 1.00 0.98 H new ATOM 0 HG12 ILE A 137 19.353 -6.216 1.788 1.00 1.06 H new ATOM 0 HG13 ILE A 137 18.952 -4.511 1.844 1.00 1.06 H new ATOM 0 HG21 ILE A 137 16.686 -7.427 2.459 1.00 1.30 H new ATOM 0 HG22 ILE A 137 15.965 -7.383 0.832 1.00 1.30 H new ATOM 0 HG23 ILE A 137 17.660 -7.884 1.041 1.00 1.30 H new ATOM 0 HD11 ILE A 137 19.291 -5.405 4.092 1.00 1.23 H new ATOM 0 HD12 ILE A 137 17.604 -4.880 3.876 1.00 1.23 H new ATOM 0 HD13 ILE A 137 18.012 -6.612 3.819 1.00 1.23 H new ATOM 1930 N ALA A 138 15.441 -4.913 -1.201 1.00 0.89 N ATOM 1931 CA ALA A 138 14.284 -5.127 -2.066 1.00 0.90 C ATOM 1932 C ALA A 138 14.736 -5.456 -3.473 1.00 1.12 C ATOM 1933 O ALA A 138 14.211 -6.365 -4.107 1.00 1.25 O ATOM 1934 CB ALA A 138 13.389 -3.895 -2.093 1.00 1.11 C ATOM 0 H ALA A 138 15.440 -4.022 -0.705 1.00 0.89 H new ATOM 0 HA ALA A 138 13.713 -5.964 -1.664 1.00 0.90 H new ATOM 0 HB1 ALA A 138 12.535 -4.080 -2.744 1.00 1.11 H new ATOM 0 HB2 ALA A 138 13.036 -3.679 -1.084 1.00 1.11 H new ATOM 0 HB3 ALA A 138 13.954 -3.043 -2.470 1.00 1.11 H new ATOM 1940 N ASP A 139 15.717 -4.709 -3.938 1.00 1.37 N ATOM 1941 CA ASP A 139 16.297 -4.903 -5.256 1.00 1.75 C ATOM 1942 C ASP A 139 16.991 -6.261 -5.330 1.00 2.01 C ATOM 1943 O ASP A 139 16.746 -7.049 -6.250 1.00 2.35 O ATOM 1944 CB ASP A 139 17.281 -3.761 -5.525 1.00 2.14 C ATOM 1945 CG ASP A 139 18.035 -3.886 -6.832 1.00 2.67 C ATOM 1946 OD1 ASP A 139 18.908 -4.766 -6.944 1.00 3.45 O ATOM 1947 OD2 ASP A 139 17.783 -3.065 -7.737 1.00 2.67 O ATOM 0 H ASP A 139 16.138 -3.945 -3.410 1.00 1.37 H new ATOM 0 HA ASP A 139 15.518 -4.892 -6.018 1.00 1.75 H new ATOM 0 HB2 ASP A 139 16.735 -2.818 -5.522 1.00 2.14 H new ATOM 0 HB3 ASP A 139 18.000 -3.715 -4.707 1.00 2.14 H new ATOM 1952 N ASP A 140 17.817 -6.536 -4.328 1.00 1.95 N ATOM 1953 CA ASP A 140 18.583 -7.777 -4.258 1.00 2.31 C ATOM 1954 C ASP A 140 17.691 -9.006 -4.139 1.00 2.32 C ATOM 1955 O ASP A 140 18.037 -10.066 -4.646 1.00 2.74 O ATOM 1956 CB ASP A 140 19.558 -7.747 -3.084 1.00 2.29 C ATOM 1957 CG ASP A 140 20.811 -6.953 -3.390 1.00 2.53 C ATOM 1958 OD1 ASP A 140 21.501 -7.284 -4.379 1.00 2.80 O ATOM 1959 OD2 ASP A 140 21.131 -6.011 -2.635 1.00 2.71 O ATOM 0 H ASP A 140 17.976 -5.907 -3.541 1.00 1.95 H new ATOM 0 HA ASP A 140 19.135 -7.851 -5.195 1.00 2.31 H new ATOM 0 HB2 ASP A 140 19.062 -7.315 -2.215 1.00 2.29 H new ATOM 0 HB3 ASP A 140 19.834 -8.768 -2.819 1.00 2.29 H new ATOM 1964 N ILE A 141 16.553 -8.870 -3.466 1.00 1.96 N ATOM 1965 CA ILE A 141 15.648 -10.000 -3.257 1.00 2.12 C ATOM 1966 C ILE A 141 15.260 -10.665 -4.578 1.00 2.35 C ATOM 1967 O ILE A 141 15.142 -11.891 -4.657 1.00 2.72 O ATOM 1968 CB ILE A 141 14.369 -9.582 -2.495 1.00 1.85 C ATOM 1969 CG1 ILE A 141 14.709 -9.211 -1.054 1.00 1.78 C ATOM 1970 CG2 ILE A 141 13.332 -10.697 -2.520 1.00 2.19 C ATOM 1971 CD1 ILE A 141 13.537 -8.658 -0.276 1.00 1.73 C ATOM 0 H ILE A 141 16.234 -7.992 -3.056 1.00 1.96 H new ATOM 0 HA ILE A 141 16.195 -10.720 -2.648 1.00 2.12 H new ATOM 0 HB ILE A 141 13.946 -8.710 -2.994 1.00 1.85 H new ATOM 0 HG12 ILE A 141 15.090 -10.094 -0.541 1.00 1.78 H new ATOM 0 HG13 ILE A 141 15.512 -8.474 -1.058 1.00 1.78 H new ATOM 0 HG21 ILE A 141 12.442 -10.378 -1.977 1.00 2.19 H new ATOM 0 HG22 ILE A 141 13.066 -10.923 -3.553 1.00 2.19 H new ATOM 0 HG23 ILE A 141 13.745 -11.589 -2.048 1.00 2.19 H new ATOM 0 HD11 ILE A 141 13.855 -8.417 0.738 1.00 1.73 H new ATOM 0 HD12 ILE A 141 13.169 -7.756 -0.765 1.00 1.73 H new ATOM 0 HD13 ILE A 141 12.741 -9.402 -0.240 1.00 1.73 H new ATOM 1983 N LYS A 142 15.084 -9.865 -5.621 1.00 2.20 N ATOM 1984 CA LYS A 142 14.722 -10.411 -6.927 1.00 2.46 C ATOM 1985 C LYS A 142 15.909 -11.134 -7.547 1.00 2.96 C ATOM 1986 O LYS A 142 15.743 -12.050 -8.348 1.00 3.29 O ATOM 1987 CB LYS A 142 14.209 -9.326 -7.876 1.00 2.33 C ATOM 1988 CG LYS A 142 12.847 -8.765 -7.488 1.00 1.94 C ATOM 1989 CD LYS A 142 12.955 -7.743 -6.375 1.00 1.52 C ATOM 1990 CE LYS A 142 11.590 -7.331 -5.864 1.00 1.35 C ATOM 1991 NZ LYS A 142 11.673 -6.195 -4.909 1.00 1.71 N ATOM 0 H LYS A 142 15.184 -8.850 -5.593 1.00 2.20 H new ATOM 0 HA LYS A 142 13.911 -11.123 -6.770 1.00 2.46 H new ATOM 0 HB2 LYS A 142 14.932 -8.511 -7.906 1.00 2.33 H new ATOM 0 HB3 LYS A 142 14.149 -9.736 -8.884 1.00 2.33 H new ATOM 0 HG2 LYS A 142 12.382 -8.305 -8.360 1.00 1.94 H new ATOM 0 HG3 LYS A 142 12.195 -9.579 -7.171 1.00 1.94 H new ATOM 0 HD2 LYS A 142 13.542 -8.157 -5.555 1.00 1.52 H new ATOM 0 HD3 LYS A 142 13.489 -6.865 -6.737 1.00 1.52 H new ATOM 0 HE2 LYS A 142 10.957 -7.051 -6.706 1.00 1.35 H new ATOM 0 HE3 LYS A 142 11.114 -8.181 -5.376 1.00 1.35 H new ATOM 0 HZ1 LYS A 142 10.846 -6.210 -4.279 1.00 1.71 H new ATOM 0 HZ2 LYS A 142 12.541 -6.280 -4.343 1.00 1.71 H new ATOM 0 HZ3 LYS A 142 11.690 -5.299 -5.436 1.00 1.71 H new ATOM 2005 N ALA A 143 17.105 -10.712 -7.183 1.00 3.05 N ATOM 2006 CA ALA A 143 18.311 -11.420 -7.575 1.00 3.54 C ATOM 2007 C ALA A 143 18.455 -12.707 -6.768 1.00 3.74 C ATOM 2008 O ALA A 143 18.978 -13.709 -7.257 1.00 4.17 O ATOM 2009 CB ALA A 143 19.525 -10.528 -7.387 1.00 3.63 C ATOM 0 H ALA A 143 17.269 -9.881 -6.615 1.00 3.05 H new ATOM 0 HA ALA A 143 18.238 -11.685 -8.630 1.00 3.54 H new ATOM 0 HB1 ALA A 143 20.423 -11.069 -7.684 1.00 3.63 H new ATOM 0 HB2 ALA A 143 19.419 -9.635 -8.003 1.00 3.63 H new ATOM 0 HB3 ALA A 143 19.605 -10.239 -6.339 1.00 3.63 H new ATOM 2015 N GLN A 144 17.978 -12.661 -5.528 1.00 3.49 N ATOM 2016 CA GLN A 144 18.068 -13.790 -4.614 1.00 3.74 C ATOM 2017 C GLN A 144 17.083 -14.888 -4.991 1.00 3.96 C ATOM 2018 O GLN A 144 17.470 -16.037 -5.188 1.00 4.47 O ATOM 2019 CB GLN A 144 17.800 -13.321 -3.181 1.00 3.42 C ATOM 2020 CG GLN A 144 18.848 -12.353 -2.653 1.00 3.47 C ATOM 2021 CD GLN A 144 18.390 -11.592 -1.422 1.00 3.49 C ATOM 2022 OE1 GLN A 144 18.819 -10.469 -1.187 1.00 3.47 O ATOM 2023 NE2 GLN A 144 17.515 -12.193 -0.631 1.00 4.15 N ATOM 0 H GLN A 144 17.519 -11.841 -5.131 1.00 3.49 H new ATOM 0 HA GLN A 144 19.075 -14.201 -4.682 1.00 3.74 H new ATOM 0 HB2 GLN A 144 16.822 -12.842 -3.141 1.00 3.42 H new ATOM 0 HB3 GLN A 144 17.756 -14.190 -2.525 1.00 3.42 H new ATOM 0 HG2 GLN A 144 19.757 -12.906 -2.414 1.00 3.47 H new ATOM 0 HG3 GLN A 144 19.105 -11.642 -3.438 1.00 3.47 H new ATOM 0 HE21 GLN A 144 17.180 -13.129 -0.859 1.00 4.15 H new ATOM 0 HE22 GLN A 144 17.176 -11.720 0.207 1.00 4.15 H new ATOM 2032 N THR A 145 15.811 -14.532 -5.094 1.00 3.61 N ATOM 2033 CA THR A 145 14.771 -15.518 -5.345 1.00 3.83 C ATOM 2034 C THR A 145 14.092 -15.302 -6.696 1.00 3.89 C ATOM 2035 O THR A 145 13.708 -16.261 -7.368 1.00 4.23 O ATOM 2036 CB THR A 145 13.716 -15.480 -4.229 1.00 3.59 C ATOM 2037 OG1 THR A 145 13.290 -14.128 -4.009 1.00 3.08 O ATOM 2038 CG2 THR A 145 14.279 -16.053 -2.940 1.00 3.71 C ATOM 0 H THR A 145 15.476 -13.573 -5.008 1.00 3.61 H new ATOM 0 HA THR A 145 15.253 -16.495 -5.362 1.00 3.83 H new ATOM 0 HB THR A 145 12.864 -16.086 -4.538 1.00 3.59 H new ATOM 0 HG1 THR A 145 12.823 -14.068 -3.150 1.00 3.08 H new ATOM 0 HG21 THR A 145 13.516 -16.017 -2.162 1.00 3.71 H new ATOM 0 HG22 THR A 145 14.582 -17.087 -3.103 1.00 3.71 H new ATOM 0 HG23 THR A 145 15.143 -15.467 -2.628 1.00 3.71 H new ATOM 2046 N GLY A 146 13.954 -14.044 -7.095 1.00 3.59 N ATOM 2047 CA GLY A 146 13.348 -13.735 -8.375 1.00 3.67 C ATOM 2048 C GLY A 146 11.961 -13.152 -8.229 1.00 3.34 C ATOM 2049 O GLY A 146 11.399 -12.618 -9.186 1.00 3.41 O ATOM 0 H GLY A 146 14.251 -13.232 -6.554 1.00 3.59 H new ATOM 0 HA2 GLY A 146 13.981 -13.029 -8.913 1.00 3.67 H new ATOM 0 HA3 GLY A 146 13.297 -14.641 -8.978 1.00 3.67 H new ATOM 2053 N LYS A 147 11.417 -13.228 -7.025 1.00 3.06 N ATOM 2054 CA LYS A 147 10.066 -12.754 -6.770 1.00 2.83 C ATOM 2055 C LYS A 147 10.060 -11.255 -6.486 1.00 2.32 C ATOM 2056 O LYS A 147 10.919 -10.743 -5.762 1.00 2.16 O ATOM 2057 CB LYS A 147 9.453 -13.525 -5.596 1.00 3.14 C ATOM 2058 CG LYS A 147 10.237 -13.391 -4.299 1.00 3.20 C ATOM 2059 CD LYS A 147 9.575 -14.136 -3.149 1.00 3.60 C ATOM 2060 CE LYS A 147 9.525 -15.632 -3.404 1.00 3.67 C ATOM 2061 NZ LYS A 147 8.929 -16.372 -2.262 1.00 4.09 N ATOM 0 H LYS A 147 11.891 -13.614 -6.208 1.00 3.06 H new ATOM 0 HA LYS A 147 9.464 -12.930 -7.661 1.00 2.83 H new ATOM 0 HB2 LYS A 147 8.435 -13.171 -5.433 1.00 3.14 H new ATOM 0 HB3 LYS A 147 9.385 -14.580 -5.862 1.00 3.14 H new ATOM 0 HG2 LYS A 147 11.247 -13.775 -4.445 1.00 3.20 H new ATOM 0 HG3 LYS A 147 10.331 -12.336 -4.040 1.00 3.20 H new ATOM 0 HD2 LYS A 147 10.123 -13.942 -2.227 1.00 3.60 H new ATOM 0 HD3 LYS A 147 8.563 -13.757 -3.005 1.00 3.60 H new ATOM 0 HE2 LYS A 147 8.944 -15.827 -4.305 1.00 3.67 H new ATOM 0 HE3 LYS A 147 10.533 -16.002 -3.589 1.00 3.67 H new ATOM 0 HZ1 LYS A 147 8.914 -17.389 -2.477 1.00 4.09 H new ATOM 0 HZ2 LYS A 147 9.498 -16.208 -1.407 1.00 4.09 H new ATOM 0 HZ3 LYS A 147 7.957 -16.038 -2.101 1.00 4.09 H new ATOM 2075 N ASP A 148 9.094 -10.553 -7.062 1.00 2.15 N ATOM 2076 CA ASP A 148 8.968 -9.118 -6.853 1.00 1.82 C ATOM 2077 C ASP A 148 8.143 -8.833 -5.606 1.00 1.87 C ATOM 2078 O ASP A 148 6.961 -8.498 -5.678 1.00 2.12 O ATOM 2079 CB ASP A 148 8.359 -8.423 -8.073 1.00 1.90 C ATOM 2080 CG ASP A 148 9.339 -8.326 -9.225 1.00 2.42 C ATOM 2081 OD1 ASP A 148 10.287 -7.518 -9.136 1.00 2.70 O ATOM 2082 OD2 ASP A 148 9.166 -9.060 -10.222 1.00 3.09 O ATOM 0 H ASP A 148 8.386 -10.954 -7.678 1.00 2.15 H new ATOM 0 HA ASP A 148 9.970 -8.713 -6.710 1.00 1.82 H new ATOM 0 HB2 ASP A 148 7.474 -8.970 -8.397 1.00 1.90 H new ATOM 0 HB3 ASP A 148 8.030 -7.422 -7.793 1.00 1.90 H new ATOM 2087 N VAL A 149 8.783 -8.988 -4.459 1.00 1.79 N ATOM 2088 CA VAL A 149 8.134 -8.785 -3.174 1.00 2.02 C ATOM 2089 C VAL A 149 8.689 -7.552 -2.463 1.00 1.82 C ATOM 2090 O VAL A 149 9.544 -6.837 -3.003 1.00 1.48 O ATOM 2091 CB VAL A 149 8.312 -10.024 -2.275 1.00 2.38 C ATOM 2092 CG1 VAL A 149 7.503 -11.193 -2.816 1.00 2.75 C ATOM 2093 CG2 VAL A 149 9.783 -10.392 -2.181 1.00 2.26 C ATOM 0 H VAL A 149 9.765 -9.257 -4.392 1.00 1.79 H new ATOM 0 HA VAL A 149 7.072 -8.628 -3.363 1.00 2.02 H new ATOM 0 HB VAL A 149 7.946 -9.788 -1.276 1.00 2.38 H new ATOM 0 HG11 VAL A 149 7.640 -12.060 -2.170 1.00 2.75 H new ATOM 0 HG12 VAL A 149 6.447 -10.923 -2.843 1.00 2.75 H new ATOM 0 HG13 VAL A 149 7.842 -11.434 -3.824 1.00 2.75 H new ATOM 0 HG21 VAL A 149 9.899 -11.269 -1.544 1.00 2.26 H new ATOM 0 HG22 VAL A 149 10.167 -10.614 -3.177 1.00 2.26 H new ATOM 0 HG23 VAL A 149 10.340 -9.558 -1.755 1.00 2.26 H new ATOM 2103 N THR A 150 8.203 -7.314 -1.250 1.00 2.14 N ATOM 2104 CA THR A 150 8.577 -6.135 -0.485 1.00 2.13 C ATOM 2105 C THR A 150 9.483 -6.500 0.685 1.00 2.20 C ATOM 2106 O THR A 150 9.510 -7.644 1.128 1.00 2.44 O ATOM 2107 CB THR A 150 7.333 -5.397 0.055 1.00 2.60 C ATOM 2108 OG1 THR A 150 6.553 -6.265 0.885 1.00 3.03 O ATOM 2109 CG2 THR A 150 6.475 -4.883 -1.088 1.00 2.59 C ATOM 0 H THR A 150 7.543 -7.929 -0.774 1.00 2.14 H new ATOM 0 HA THR A 150 9.116 -5.476 -1.166 1.00 2.13 H new ATOM 0 HB THR A 150 7.678 -4.550 0.648 1.00 2.60 H new ATOM 0 HG1 THR A 150 6.389 -7.108 0.413 1.00 3.03 H new ATOM 0 HG21 THR A 150 5.604 -4.366 -0.685 1.00 2.59 H new ATOM 0 HG22 THR A 150 7.057 -4.192 -1.698 1.00 2.59 H new ATOM 0 HG23 THR A 150 6.147 -5.721 -1.703 1.00 2.59 H new ATOM 2117 N VAL A 151 10.236 -5.525 1.156 1.00 2.05 N ATOM 2118 CA VAL A 151 11.091 -5.696 2.324 1.00 2.13 C ATOM 2119 C VAL A 151 10.891 -4.509 3.259 1.00 2.42 C ATOM 2120 O VAL A 151 10.746 -3.376 2.796 1.00 2.42 O ATOM 2121 CB VAL A 151 12.579 -5.810 1.922 1.00 1.74 C ATOM 2122 CG1 VAL A 151 13.017 -4.575 1.171 1.00 1.62 C ATOM 2123 CG2 VAL A 151 13.473 -6.038 3.133 1.00 1.79 C ATOM 0 H VAL A 151 10.275 -4.593 0.744 1.00 2.05 H new ATOM 0 HA VAL A 151 10.815 -6.622 2.828 1.00 2.13 H new ATOM 0 HB VAL A 151 12.679 -6.677 1.269 1.00 1.74 H new ATOM 0 HG11 VAL A 151 14.067 -4.670 0.895 1.00 1.62 H new ATOM 0 HG12 VAL A 151 12.413 -4.464 0.270 1.00 1.62 H new ATOM 0 HG13 VAL A 151 12.887 -3.698 1.805 1.00 1.62 H new ATOM 0 HG21 VAL A 151 14.511 -6.113 2.810 1.00 1.79 H new ATOM 0 HG22 VAL A 151 13.368 -5.203 3.825 1.00 1.79 H new ATOM 0 HG23 VAL A 151 13.181 -6.962 3.632 1.00 1.79 H new ATOM 2133 N THR A 152 10.830 -4.772 4.556 1.00 2.75 N ATOM 2134 CA THR A 152 10.648 -3.712 5.537 1.00 3.08 C ATOM 2135 C THR A 152 11.403 -4.018 6.828 1.00 3.18 C ATOM 2136 O THR A 152 11.390 -5.149 7.307 1.00 3.28 O ATOM 2137 CB THR A 152 9.151 -3.502 5.852 1.00 3.54 C ATOM 2138 OG1 THR A 152 8.461 -4.761 5.826 1.00 3.66 O ATOM 2139 CG2 THR A 152 8.507 -2.543 4.858 1.00 3.54 C ATOM 0 H THR A 152 10.904 -5.709 4.953 1.00 2.75 H new ATOM 0 HA THR A 152 11.052 -2.797 5.103 1.00 3.08 H new ATOM 0 HB THR A 152 9.075 -3.065 6.848 1.00 3.54 H new ATOM 0 HG1 THR A 152 7.513 -4.619 6.029 1.00 3.66 H new ATOM 0 HG21 THR A 152 7.453 -2.415 5.106 1.00 3.54 H new ATOM 0 HG22 THR A 152 9.010 -1.577 4.906 1.00 3.54 H new ATOM 0 HG23 THR A 152 8.596 -2.949 3.850 1.00 3.54 H new ATOM 2147 N LYS A 153 12.086 -3.019 7.366 1.00 3.21 N ATOM 2148 CA LYS A 153 12.764 -3.165 8.646 1.00 3.33 C ATOM 2149 C LYS A 153 11.745 -3.113 9.779 1.00 3.81 C ATOM 2150 O LYS A 153 11.113 -2.079 10.013 1.00 4.04 O ATOM 2151 CB LYS A 153 13.814 -2.065 8.830 1.00 3.19 C ATOM 2152 CG LYS A 153 14.574 -2.173 10.143 1.00 3.31 C ATOM 2153 CD LYS A 153 15.535 -1.010 10.346 1.00 3.24 C ATOM 2154 CE LYS A 153 16.655 -1.013 9.321 1.00 2.96 C ATOM 2155 NZ LYS A 153 17.581 0.137 9.508 1.00 3.12 N ATOM 0 H LYS A 153 12.186 -2.099 6.937 1.00 3.21 H new ATOM 0 HA LYS A 153 13.271 -4.129 8.664 1.00 3.33 H new ATOM 0 HB2 LYS A 153 14.523 -2.107 8.003 1.00 3.19 H new ATOM 0 HB3 LYS A 153 13.324 -1.093 8.781 1.00 3.19 H new ATOM 0 HG2 LYS A 153 13.865 -2.205 10.970 1.00 3.31 H new ATOM 0 HG3 LYS A 153 15.130 -3.110 10.163 1.00 3.31 H new ATOM 0 HD2 LYS A 153 14.986 -0.070 10.281 1.00 3.24 H new ATOM 0 HD3 LYS A 153 15.960 -1.062 11.348 1.00 3.24 H new ATOM 0 HE2 LYS A 153 17.214 -1.946 9.397 1.00 2.96 H new ATOM 0 HE3 LYS A 153 16.230 -0.977 8.318 1.00 2.96 H new ATOM 0 HZ1 LYS A 153 18.331 0.099 8.789 1.00 3.12 H new ATOM 0 HZ2 LYS A 153 17.053 1.028 9.410 1.00 3.12 H new ATOM 0 HZ3 LYS A 153 18.007 0.089 10.456 1.00 3.12 H new ATOM 2169 N ASP A 154 11.582 -4.229 10.473 1.00 4.00 N ATOM 2170 CA ASP A 154 10.563 -4.343 11.509 1.00 4.47 C ATOM 2171 C ASP A 154 10.997 -3.640 12.793 1.00 4.65 C ATOM 2172 O ASP A 154 12.031 -2.963 12.828 1.00 4.41 O ATOM 2173 CB ASP A 154 10.248 -5.818 11.805 1.00 4.70 C ATOM 2174 CG ASP A 154 11.174 -6.432 12.842 1.00 4.76 C ATOM 2175 OD1 ASP A 154 12.380 -6.568 12.575 1.00 4.67 O ATOM 2176 OD2 ASP A 154 10.696 -6.760 13.947 1.00 5.12 O ATOM 0 H ASP A 154 12.142 -5.071 10.338 1.00 4.00 H new ATOM 0 HA ASP A 154 9.662 -3.856 11.135 1.00 4.47 H new ATOM 0 HB2 ASP A 154 9.218 -5.900 12.153 1.00 4.70 H new ATOM 0 HB3 ASP A 154 10.319 -6.390 10.880 1.00 4.70 H new ATOM 2181 N GLU A 155 10.208 -3.812 13.842 1.00 5.09 N ATOM 2182 CA GLU A 155 10.486 -3.212 15.138 1.00 5.31 C ATOM 2183 C GLU A 155 11.863 -3.623 15.657 1.00 5.14 C ATOM 2184 O GLU A 155 12.586 -2.814 16.243 1.00 5.11 O ATOM 2185 CB GLU A 155 9.411 -3.640 16.136 1.00 5.84 C ATOM 2186 CG GLU A 155 7.999 -3.278 15.704 1.00 5.88 C ATOM 2187 CD GLU A 155 7.778 -1.784 15.637 1.00 6.81 C ATOM 2188 OE1 GLU A 155 8.153 -1.165 14.620 1.00 7.08 O ATOM 2189 OE2 GLU A 155 7.233 -1.219 16.605 1.00 7.40 O ATOM 0 H GLU A 155 9.356 -4.372 13.819 1.00 5.09 H new ATOM 0 HA GLU A 155 10.479 -2.128 15.023 1.00 5.31 H new ATOM 0 HB2 GLU A 155 9.472 -4.718 16.282 1.00 5.84 H new ATOM 0 HB3 GLU A 155 9.617 -3.176 17.100 1.00 5.84 H new ATOM 0 HG2 GLU A 155 7.798 -3.716 14.726 1.00 5.88 H new ATOM 0 HG3 GLU A 155 7.286 -3.716 16.402 1.00 5.88 H new ATOM 2196 N ASN A 156 12.229 -4.875 15.416 1.00 5.06 N ATOM 2197 CA ASN A 156 13.472 -5.430 15.941 1.00 4.94 C ATOM 2198 C ASN A 156 14.665 -5.069 15.062 1.00 4.41 C ATOM 2199 O ASN A 156 15.812 -5.316 15.432 1.00 4.24 O ATOM 2200 CB ASN A 156 13.364 -6.951 16.071 1.00 5.12 C ATOM 2201 CG ASN A 156 12.275 -7.380 17.037 1.00 5.49 C ATOM 2202 OD1 ASN A 156 12.516 -7.537 18.235 1.00 5.79 O ATOM 2203 ND2 ASN A 156 11.069 -7.573 16.525 1.00 5.77 N ATOM 0 H ASN A 156 11.681 -5.529 14.858 1.00 5.06 H new ATOM 0 HA ASN A 156 13.634 -4.994 16.927 1.00 4.94 H new ATOM 0 HB2 ASN A 156 13.164 -7.382 15.090 1.00 5.12 H new ATOM 0 HB3 ASN A 156 14.320 -7.352 16.407 1.00 5.12 H new ATOM 0 HD21 ASN A 156 10.299 -7.862 17.128 1.00 5.77 H new ATOM 0 HD22 ASN A 156 10.910 -7.432 15.527 1.00 5.77 H new ATOM 2210 N GLY A 157 14.395 -4.497 13.897 1.00 4.19 N ATOM 2211 CA GLY A 157 15.468 -4.075 13.017 1.00 3.70 C ATOM 2212 C GLY A 157 15.780 -5.098 11.946 1.00 3.44 C ATOM 2213 O GLY A 157 16.770 -4.969 11.226 1.00 3.10 O ATOM 0 H GLY A 157 13.455 -4.318 13.545 1.00 4.19 H new ATOM 0 HA2 GLY A 157 15.195 -3.131 12.544 1.00 3.70 H new ATOM 0 HA3 GLY A 157 16.365 -3.888 13.608 1.00 3.70 H new ATOM 2217 N ASN A 158 14.935 -6.108 11.826 1.00 3.65 N ATOM 2218 CA ASN A 158 15.127 -7.144 10.825 1.00 3.50 C ATOM 2219 C ASN A 158 14.350 -6.793 9.572 1.00 3.31 C ATOM 2220 O ASN A 158 13.288 -6.177 9.641 1.00 3.56 O ATOM 2221 CB ASN A 158 14.678 -8.508 11.354 1.00 3.95 C ATOM 2222 CG ASN A 158 15.502 -8.991 12.536 1.00 4.17 C ATOM 2223 OD1 ASN A 158 14.989 -9.673 13.423 1.00 4.34 O ATOM 2224 ND2 ASN A 158 16.783 -8.647 12.560 1.00 4.46 N ATOM 0 H ASN A 158 14.108 -6.233 12.410 1.00 3.65 H new ATOM 0 HA ASN A 158 16.190 -7.204 10.590 1.00 3.50 H new ATOM 0 HB2 ASN A 158 13.630 -8.449 11.649 1.00 3.95 H new ATOM 0 HB3 ASN A 158 14.742 -9.242 10.550 1.00 3.95 H new ATOM 0 HD21 ASN A 158 17.378 -8.949 13.332 1.00 4.46 H new ATOM 0 HD22 ASN A 158 17.173 -8.081 11.807 1.00 4.46 H new ATOM 2231 N TYR A 159 14.879 -7.177 8.429 1.00 2.93 N ATOM 2232 CA TYR A 159 14.263 -6.838 7.162 1.00 2.72 C ATOM 2233 C TYR A 159 13.311 -7.948 6.745 1.00 3.01 C ATOM 2234 O TYR A 159 13.723 -8.955 6.179 1.00 3.01 O ATOM 2235 CB TYR A 159 15.342 -6.623 6.094 1.00 2.23 C ATOM 2236 CG TYR A 159 16.436 -5.666 6.518 1.00 2.01 C ATOM 2237 CD1 TYR A 159 17.484 -6.103 7.320 1.00 2.07 C ATOM 2238 CD2 TYR A 159 16.424 -4.331 6.124 1.00 1.85 C ATOM 2239 CE1 TYR A 159 18.484 -5.245 7.722 1.00 1.92 C ATOM 2240 CE2 TYR A 159 17.428 -3.466 6.521 1.00 1.76 C ATOM 2241 CZ TYR A 159 18.452 -3.927 7.323 1.00 1.75 C ATOM 2242 OH TYR A 159 19.449 -3.067 7.724 1.00 1.71 O ATOM 0 H TYR A 159 15.736 -7.725 8.351 1.00 2.93 H new ATOM 0 HA TYR A 159 13.698 -5.912 7.270 1.00 2.72 H new ATOM 0 HB2 TYR A 159 15.790 -7.585 5.844 1.00 2.23 H new ATOM 0 HB3 TYR A 159 14.872 -6.244 5.186 1.00 2.23 H new ATOM 0 HD1 TYR A 159 17.515 -7.136 7.634 1.00 2.07 H new ATOM 0 HD2 TYR A 159 15.621 -3.966 5.501 1.00 1.85 H new ATOM 0 HE1 TYR A 159 19.289 -5.604 8.347 1.00 1.92 H new ATOM 0 HE2 TYR A 159 17.410 -2.434 6.204 1.00 1.76 H new ATOM 0 HH TYR A 159 19.279 -2.175 7.356 1.00 1.71 H new ATOM 2252 N VAL A 160 12.038 -7.773 7.049 1.00 3.34 N ATOM 2253 CA VAL A 160 11.047 -8.784 6.742 1.00 3.65 C ATOM 2254 C VAL A 160 10.586 -8.671 5.294 1.00 3.36 C ATOM 2255 O VAL A 160 10.237 -7.588 4.815 1.00 3.19 O ATOM 2256 CB VAL A 160 9.834 -8.712 7.696 1.00 4.17 C ATOM 2257 CG1 VAL A 160 10.249 -9.084 9.111 1.00 4.45 C ATOM 2258 CG2 VAL A 160 9.191 -7.333 7.682 1.00 4.18 C ATOM 0 H VAL A 160 11.668 -6.941 7.508 1.00 3.34 H new ATOM 0 HA VAL A 160 11.525 -9.753 6.885 1.00 3.65 H new ATOM 0 HB VAL A 160 9.093 -9.429 7.342 1.00 4.17 H new ATOM 0 HG11 VAL A 160 9.383 -9.028 9.771 1.00 4.45 H new ATOM 0 HG12 VAL A 160 10.646 -10.099 9.119 1.00 4.45 H new ATOM 0 HG13 VAL A 160 11.015 -8.392 9.459 1.00 4.45 H new ATOM 0 HG21 VAL A 160 8.341 -7.321 8.365 1.00 4.18 H new ATOM 0 HG22 VAL A 160 9.921 -6.588 7.998 1.00 4.18 H new ATOM 0 HG23 VAL A 160 8.849 -7.101 6.673 1.00 4.18 H new ATOM 2268 N VAL A 161 10.613 -9.796 4.599 1.00 3.37 N ATOM 2269 CA VAL A 161 10.232 -9.850 3.200 1.00 3.11 C ATOM 2270 C VAL A 161 8.767 -10.217 3.073 1.00 3.48 C ATOM 2271 O VAL A 161 8.375 -11.355 3.344 1.00 3.87 O ATOM 2272 CB VAL A 161 11.075 -10.885 2.432 1.00 2.99 C ATOM 2273 CG1 VAL A 161 10.682 -10.921 0.966 1.00 2.74 C ATOM 2274 CG2 VAL A 161 12.554 -10.582 2.588 1.00 2.71 C ATOM 0 H VAL A 161 10.899 -10.694 4.988 1.00 3.37 H new ATOM 0 HA VAL A 161 10.408 -8.864 2.771 1.00 3.11 H new ATOM 0 HB VAL A 161 10.880 -11.870 2.855 1.00 2.99 H new ATOM 0 HG11 VAL A 161 11.291 -11.659 0.444 1.00 2.74 H new ATOM 0 HG12 VAL A 161 9.630 -11.191 0.878 1.00 2.74 H new ATOM 0 HG13 VAL A 161 10.843 -9.939 0.522 1.00 2.74 H new ATOM 0 HG21 VAL A 161 13.137 -11.322 2.040 1.00 2.71 H new ATOM 0 HG22 VAL A 161 12.765 -9.588 2.193 1.00 2.71 H new ATOM 0 HG23 VAL A 161 12.823 -10.618 3.644 1.00 2.71 H new ATOM 2284 N LYS A 162 7.961 -9.265 2.653 1.00 3.40 N ATOM 2285 CA LYS A 162 6.543 -9.478 2.566 1.00 3.76 C ATOM 2286 C LYS A 162 6.096 -9.635 1.128 1.00 3.53 C ATOM 2287 O LYS A 162 6.450 -8.848 0.249 1.00 3.10 O ATOM 2288 CB LYS A 162 5.797 -8.340 3.254 1.00 4.00 C ATOM 2289 CG LYS A 162 4.330 -8.644 3.467 1.00 4.56 C ATOM 2290 CD LYS A 162 3.681 -7.687 4.453 1.00 4.88 C ATOM 2291 CE LYS A 162 4.233 -7.860 5.863 1.00 5.23 C ATOM 2292 NZ LYS A 162 3.565 -6.946 6.824 1.00 5.58 N ATOM 0 H LYS A 162 8.270 -8.336 2.367 1.00 3.40 H new ATOM 0 HA LYS A 162 6.305 -10.408 3.081 1.00 3.76 H new ATOM 0 HB2 LYS A 162 6.264 -8.135 4.217 1.00 4.00 H new ATOM 0 HB3 LYS A 162 5.892 -7.435 2.655 1.00 4.00 H new ATOM 0 HG2 LYS A 162 3.807 -8.588 2.512 1.00 4.56 H new ATOM 0 HG3 LYS A 162 4.222 -9.666 3.831 1.00 4.56 H new ATOM 0 HD2 LYS A 162 3.844 -6.661 4.123 1.00 4.88 H new ATOM 0 HD3 LYS A 162 2.604 -7.852 4.463 1.00 4.88 H new ATOM 0 HE2 LYS A 162 4.095 -8.892 6.185 1.00 5.23 H new ATOM 0 HE3 LYS A 162 5.306 -7.667 5.861 1.00 5.23 H new ATOM 0 HZ1 LYS A 162 3.964 -7.089 7.774 1.00 5.58 H new ATOM 0 HZ2 LYS A 162 3.718 -5.960 6.529 1.00 5.58 H new ATOM 0 HZ3 LYS A 162 2.545 -7.147 6.843 1.00 5.58 H new ATOM 2306 N ASP A 163 5.332 -10.683 0.904 1.00 3.84 N ATOM 2307 CA ASP A 163 4.749 -10.948 -0.391 1.00 3.72 C ATOM 2308 C ASP A 163 3.521 -10.070 -0.565 1.00 3.80 C ATOM 2309 O ASP A 163 2.928 -9.627 0.419 1.00 4.05 O ATOM 2310 CB ASP A 163 4.375 -12.425 -0.484 1.00 4.12 C ATOM 2311 CG ASP A 163 3.756 -12.794 -1.818 1.00 4.27 C ATOM 2312 OD1 ASP A 163 2.518 -12.711 -1.940 1.00 4.50 O ATOM 2313 OD2 ASP A 163 4.501 -13.176 -2.744 1.00 4.40 O ATOM 0 H ASP A 163 5.098 -11.375 1.616 1.00 3.84 H new ATOM 0 HA ASP A 163 5.463 -10.721 -1.183 1.00 3.72 H new ATOM 0 HB2 ASP A 163 5.266 -13.031 -0.323 1.00 4.12 H new ATOM 0 HB3 ASP A 163 3.675 -12.668 0.315 1.00 4.12 H new ATOM 2318 N GLU A 164 3.140 -9.830 -1.815 1.00 3.66 N ATOM 2319 CA GLU A 164 2.057 -8.906 -2.131 1.00 3.77 C ATOM 2320 C GLU A 164 0.714 -9.397 -1.593 1.00 4.35 C ATOM 2321 O GLU A 164 -0.264 -8.649 -1.583 1.00 4.57 O ATOM 2322 CB GLU A 164 1.972 -8.687 -3.639 1.00 3.55 C ATOM 2323 CG GLU A 164 1.692 -9.953 -4.430 1.00 3.74 C ATOM 2324 CD GLU A 164 1.553 -9.681 -5.910 1.00 3.78 C ATOM 2325 OE1 GLU A 164 0.463 -9.245 -6.337 1.00 4.05 O ATOM 2326 OE2 GLU A 164 2.534 -9.890 -6.652 1.00 3.70 O ATOM 0 H GLU A 164 3.569 -10.266 -2.631 1.00 3.66 H new ATOM 0 HA GLU A 164 2.281 -7.958 -1.641 1.00 3.77 H new ATOM 0 HB2 GLU A 164 1.187 -7.959 -3.847 1.00 3.55 H new ATOM 0 HB3 GLU A 164 2.909 -8.253 -3.987 1.00 3.55 H new ATOM 0 HG2 GLU A 164 2.499 -10.667 -4.268 1.00 3.74 H new ATOM 0 HG3 GLU A 164 0.777 -10.416 -4.060 1.00 3.74 H new ATOM 2333 N LYS A 165 0.673 -10.655 -1.161 1.00 4.65 N ATOM 2334 CA LYS A 165 -0.508 -11.200 -0.498 1.00 5.25 C ATOM 2335 C LYS A 165 -0.711 -10.528 0.861 1.00 5.46 C ATOM 2336 O LYS A 165 -1.801 -10.564 1.426 1.00 5.93 O ATOM 2337 CB LYS A 165 -0.376 -12.718 -0.317 1.00 5.57 C ATOM 2338 CG LYS A 165 0.691 -13.125 0.691 1.00 5.77 C ATOM 2339 CD LYS A 165 0.789 -14.639 0.851 1.00 6.13 C ATOM 2340 CE LYS A 165 1.691 -15.281 -0.198 1.00 5.73 C ATOM 2341 NZ LYS A 165 1.216 -15.053 -1.588 1.00 6.20 N ATOM 0 H LYS A 165 1.444 -11.316 -1.258 1.00 4.65 H new ATOM 0 HA LYS A 165 -1.376 -10.999 -1.127 1.00 5.25 H new ATOM 0 HB2 LYS A 165 -1.337 -13.122 0.002 1.00 5.57 H new ATOM 0 HB3 LYS A 165 -0.144 -13.171 -1.281 1.00 5.57 H new ATOM 0 HG2 LYS A 165 1.657 -12.732 0.373 1.00 5.77 H new ATOM 0 HG3 LYS A 165 0.466 -12.674 1.657 1.00 5.77 H new ATOM 0 HD2 LYS A 165 1.171 -14.872 1.845 1.00 6.13 H new ATOM 0 HD3 LYS A 165 -0.208 -15.073 0.783 1.00 6.13 H new ATOM 0 HE2 LYS A 165 2.700 -14.883 -0.095 1.00 5.73 H new ATOM 0 HE3 LYS A 165 1.751 -16.353 -0.011 1.00 5.73 H new ATOM 0 HZ1 LYS A 165 1.599 -15.792 -2.211 1.00 6.20 H new ATOM 0 HZ2 LYS A 165 0.177 -15.086 -1.610 1.00 6.20 H new ATOM 0 HZ3 LYS A 165 1.540 -14.121 -1.917 1.00 6.20 H new ATOM 2355 N GLY A 166 0.349 -9.916 1.377 1.00 5.16 N ATOM 2356 CA GLY A 166 0.268 -9.235 2.652 1.00 5.39 C ATOM 2357 C GLY A 166 0.920 -10.016 3.774 1.00 5.58 C ATOM 2358 O GLY A 166 0.822 -9.641 4.940 1.00 5.84 O ATOM 0 H GLY A 166 1.266 -9.880 0.931 1.00 5.16 H new ATOM 0 HA2 GLY A 166 0.746 -8.259 2.569 1.00 5.39 H new ATOM 0 HA3 GLY A 166 -0.779 -9.058 2.899 1.00 5.39 H new ATOM 2362 N ASN A 167 1.598 -11.101 3.427 1.00 5.50 N ATOM 2363 CA ASN A 167 2.233 -11.947 4.433 1.00 5.74 C ATOM 2364 C ASN A 167 3.740 -11.991 4.231 1.00 5.30 C ATOM 2365 O ASN A 167 4.219 -12.112 3.101 1.00 4.85 O ATOM 2366 CB ASN A 167 1.669 -13.371 4.385 1.00 6.13 C ATOM 2367 CG ASN A 167 0.186 -13.447 4.714 1.00 6.63 C ATOM 2368 OD1 ASN A 167 -0.528 -14.307 4.197 1.00 6.93 O ATOM 2369 ND2 ASN A 167 -0.290 -12.560 5.574 1.00 6.92 N ATOM 0 H ASN A 167 1.723 -11.416 2.465 1.00 5.50 H new ATOM 0 HA ASN A 167 2.018 -11.514 5.410 1.00 5.74 H new ATOM 0 HB2 ASN A 167 1.834 -13.786 3.391 1.00 6.13 H new ATOM 0 HB3 ASN A 167 2.221 -13.996 5.087 1.00 6.13 H new ATOM 0 HD21 ASN A 167 -1.278 -12.575 5.828 1.00 6.92 H new ATOM 0 HD22 ASN A 167 0.331 -11.862 5.983 1.00 6.92 H new ATOM 2376 N VAL A 168 4.486 -11.874 5.324 1.00 5.47 N ATOM 2377 CA VAL A 168 5.935 -11.971 5.268 1.00 5.13 C ATOM 2378 C VAL A 168 6.375 -13.415 5.054 1.00 5.22 C ATOM 2379 O VAL A 168 6.210 -14.275 5.922 1.00 5.68 O ATOM 2380 CB VAL A 168 6.603 -11.343 6.506 1.00 5.30 C ATOM 2381 CG1 VAL A 168 5.808 -11.647 7.742 1.00 5.21 C ATOM 2382 CG2 VAL A 168 8.049 -11.797 6.661 1.00 5.12 C ATOM 0 H VAL A 168 4.109 -11.712 6.258 1.00 5.47 H new ATOM 0 HA VAL A 168 6.272 -11.392 4.408 1.00 5.13 H new ATOM 0 HB VAL A 168 6.620 -10.263 6.361 1.00 5.30 H new ATOM 0 HG11 VAL A 168 6.294 -11.196 8.607 1.00 5.21 H new ATOM 0 HG12 VAL A 168 4.802 -11.240 7.637 1.00 5.21 H new ATOM 0 HG13 VAL A 168 5.749 -12.727 7.881 1.00 5.21 H new ATOM 0 HG21 VAL A 168 8.484 -11.332 7.546 1.00 5.12 H new ATOM 0 HG22 VAL A 168 8.080 -12.881 6.769 1.00 5.12 H new ATOM 0 HG23 VAL A 168 8.619 -11.504 5.779 1.00 5.12 H new ATOM 2392 N VAL A 169 6.919 -13.666 3.872 1.00 4.85 N ATOM 2393 CA VAL A 169 7.280 -15.011 3.455 1.00 5.00 C ATOM 2394 C VAL A 169 8.713 -15.355 3.851 1.00 4.91 C ATOM 2395 O VAL A 169 9.055 -16.523 4.030 1.00 5.22 O ATOM 2396 CB VAL A 169 7.109 -15.190 1.929 1.00 4.76 C ATOM 2397 CG1 VAL A 169 5.639 -15.128 1.548 1.00 4.96 C ATOM 2398 CG2 VAL A 169 7.899 -14.135 1.164 1.00 4.17 C ATOM 0 H VAL A 169 7.121 -12.946 3.179 1.00 4.85 H new ATOM 0 HA VAL A 169 6.603 -15.693 3.969 1.00 5.00 H new ATOM 0 HB VAL A 169 7.500 -16.171 1.658 1.00 4.76 H new ATOM 0 HG11 VAL A 169 5.537 -15.256 0.470 1.00 4.96 H new ATOM 0 HG12 VAL A 169 5.096 -15.922 2.061 1.00 4.96 H new ATOM 0 HG13 VAL A 169 5.228 -14.161 1.839 1.00 4.96 H new ATOM 0 HG21 VAL A 169 7.762 -14.283 0.093 1.00 4.17 H new ATOM 0 HG22 VAL A 169 7.544 -13.142 1.441 1.00 4.17 H new ATOM 0 HG23 VAL A 169 8.957 -14.224 1.410 1.00 4.17 H new ATOM 2408 N ALA A 170 9.549 -14.333 3.995 1.00 4.53 N ATOM 2409 CA ALA A 170 10.949 -14.533 4.342 1.00 4.42 C ATOM 2410 C ALA A 170 11.468 -13.367 5.162 1.00 4.18 C ATOM 2411 O ALA A 170 10.785 -12.360 5.315 1.00 4.08 O ATOM 2412 CB ALA A 170 11.791 -14.709 3.087 1.00 4.09 C ATOM 0 H ALA A 170 9.280 -13.356 3.876 1.00 4.53 H new ATOM 0 HA ALA A 170 11.025 -15.440 4.942 1.00 4.42 H new ATOM 0 HB1 ALA A 170 12.834 -14.857 3.366 1.00 4.09 H new ATOM 0 HB2 ALA A 170 11.438 -15.577 2.531 1.00 4.09 H new ATOM 0 HB3 ALA A 170 11.705 -13.819 2.464 1.00 4.09 H new ATOM 2418 N THR A 171 12.675 -13.500 5.684 1.00 4.14 N ATOM 2419 CA THR A 171 13.283 -12.451 6.478 1.00 3.92 C ATOM 2420 C THR A 171 14.772 -12.367 6.155 1.00 3.64 C ATOM 2421 O THR A 171 15.435 -13.395 6.011 1.00 3.84 O ATOM 2422 CB THR A 171 13.095 -12.711 7.989 1.00 4.33 C ATOM 2423 OG1 THR A 171 11.713 -12.968 8.275 1.00 4.70 O ATOM 2424 CG2 THR A 171 13.567 -11.519 8.809 1.00 4.13 C ATOM 0 H THR A 171 13.255 -14.331 5.570 1.00 4.14 H new ATOM 0 HA THR A 171 12.794 -11.509 6.232 1.00 3.92 H new ATOM 0 HB THR A 171 13.694 -13.581 8.259 1.00 4.33 H new ATOM 0 HG1 THR A 171 11.603 -13.133 9.235 1.00 4.70 H new ATOM 0 HG21 THR A 171 13.424 -11.727 9.869 1.00 4.13 H new ATOM 0 HG22 THR A 171 14.624 -11.339 8.614 1.00 4.13 H new ATOM 0 HG23 THR A 171 12.991 -10.636 8.532 1.00 4.13 H new ATOM 2432 N VAL A 172 15.286 -11.157 6.012 1.00 3.23 N ATOM 2433 CA VAL A 172 16.698 -10.962 5.725 1.00 3.00 C ATOM 2434 C VAL A 172 17.399 -10.290 6.903 1.00 2.94 C ATOM 2435 O VAL A 172 16.813 -9.457 7.602 1.00 2.89 O ATOM 2436 CB VAL A 172 16.922 -10.159 4.407 1.00 2.55 C ATOM 2437 CG1 VAL A 172 15.622 -9.583 3.875 1.00 2.30 C ATOM 2438 CG2 VAL A 172 17.956 -9.055 4.577 1.00 2.39 C ATOM 0 H VAL A 172 14.747 -10.295 6.090 1.00 3.23 H new ATOM 0 HA VAL A 172 17.140 -11.947 5.576 1.00 3.00 H new ATOM 0 HB VAL A 172 17.308 -10.870 3.676 1.00 2.55 H new ATOM 0 HG11 VAL A 172 15.818 -9.030 2.956 1.00 2.30 H new ATOM 0 HG12 VAL A 172 14.922 -10.393 3.669 1.00 2.30 H new ATOM 0 HG13 VAL A 172 15.191 -8.911 4.617 1.00 2.30 H new ATOM 0 HG21 VAL A 172 18.079 -8.523 3.634 1.00 2.39 H new ATOM 0 HG22 VAL A 172 17.621 -8.358 5.346 1.00 2.39 H new ATOM 0 HG23 VAL A 172 18.909 -9.492 4.874 1.00 2.39 H new ATOM 2448 N ASP A 173 18.647 -10.681 7.125 1.00 3.03 N ATOM 2449 CA ASP A 173 19.435 -10.174 8.235 1.00 3.00 C ATOM 2450 C ASP A 173 20.367 -9.055 7.759 1.00 2.60 C ATOM 2451 O ASP A 173 20.171 -8.520 6.668 1.00 2.41 O ATOM 2452 CB ASP A 173 20.219 -11.320 8.864 1.00 3.43 C ATOM 2453 CG ASP A 173 20.770 -10.991 10.236 1.00 3.92 C ATOM 2454 OD1 ASP A 173 19.992 -10.954 11.209 1.00 4.51 O ATOM 2455 OD2 ASP A 173 21.992 -10.769 10.347 1.00 4.14 O ATOM 0 H ASP A 173 19.139 -11.357 6.541 1.00 3.03 H new ATOM 0 HA ASP A 173 18.773 -9.751 8.991 1.00 3.00 H new ATOM 0 HB2 ASP A 173 19.572 -12.194 8.941 1.00 3.43 H new ATOM 0 HB3 ASP A 173 21.044 -11.591 8.205 1.00 3.43 H new ATOM 2460 N LYS A 174 21.379 -8.712 8.549 1.00 2.52 N ATOM 2461 CA LYS A 174 22.242 -7.567 8.261 1.00 2.20 C ATOM 2462 C LYS A 174 22.908 -7.687 6.890 1.00 2.28 C ATOM 2463 O LYS A 174 23.257 -6.684 6.266 1.00 2.16 O ATOM 2464 CB LYS A 174 23.328 -7.457 9.330 1.00 2.25 C ATOM 2465 CG LYS A 174 24.307 -8.619 9.284 1.00 2.98 C ATOM 2466 CD LYS A 174 25.525 -8.388 10.157 1.00 3.05 C ATOM 2467 CE LYS A 174 26.696 -9.252 9.707 1.00 3.86 C ATOM 2468 NZ LYS A 174 26.309 -10.676 9.501 1.00 4.58 N ATOM 0 H LYS A 174 21.625 -9.215 9.402 1.00 2.52 H new ATOM 0 HA LYS A 174 21.614 -6.676 8.261 1.00 2.20 H new ATOM 0 HB2 LYS A 174 23.872 -6.522 9.196 1.00 2.25 H new ATOM 0 HB3 LYS A 174 22.862 -7.417 10.315 1.00 2.25 H new ATOM 0 HG2 LYS A 174 23.801 -9.529 9.606 1.00 2.98 H new ATOM 0 HG3 LYS A 174 24.627 -8.779 8.255 1.00 2.98 H new ATOM 0 HD2 LYS A 174 25.809 -7.336 10.118 1.00 3.05 H new ATOM 0 HD3 LYS A 174 25.280 -8.614 11.195 1.00 3.05 H new ATOM 0 HE2 LYS A 174 27.103 -8.852 8.778 1.00 3.86 H new ATOM 0 HE3 LYS A 174 27.490 -9.199 10.452 1.00 3.86 H new ATOM 0 HZ1 LYS A 174 27.152 -11.280 9.582 1.00 4.58 H new ATOM 0 HZ2 LYS A 174 25.613 -10.954 10.222 1.00 4.58 H new ATOM 0 HZ3 LYS A 174 25.892 -10.789 8.555 1.00 4.58 H new ATOM 2482 N ASP A 175 23.064 -8.919 6.423 1.00 2.63 N ATOM 2483 CA ASP A 175 23.788 -9.189 5.188 1.00 2.84 C ATOM 2484 C ASP A 175 23.022 -8.691 3.975 1.00 2.63 C ATOM 2485 O ASP A 175 23.591 -8.522 2.900 1.00 2.76 O ATOM 2486 CB ASP A 175 24.059 -10.685 5.052 1.00 3.34 C ATOM 2487 CG ASP A 175 25.140 -11.165 6.001 1.00 3.65 C ATOM 2488 OD1 ASP A 175 24.868 -11.279 7.216 1.00 4.13 O ATOM 2489 OD2 ASP A 175 26.264 -11.442 5.535 1.00 3.73 O ATOM 0 H ASP A 175 22.696 -9.751 6.884 1.00 2.63 H new ATOM 0 HA ASP A 175 24.735 -8.652 5.234 1.00 2.84 H new ATOM 0 HB2 ASP A 175 23.139 -11.237 5.244 1.00 3.34 H new ATOM 0 HB3 ASP A 175 24.355 -10.906 4.027 1.00 3.34 H new ATOM 2494 N GLY A 176 21.726 -8.467 4.152 1.00 2.39 N ATOM 2495 CA GLY A 176 20.906 -7.926 3.084 1.00 2.21 C ATOM 2496 C GLY A 176 20.695 -8.887 1.929 1.00 2.46 C ATOM 2497 O GLY A 176 20.068 -8.532 0.936 1.00 2.47 O ATOM 0 H GLY A 176 21.225 -8.651 5.021 1.00 2.39 H new ATOM 0 HA2 GLY A 176 19.935 -7.643 3.491 1.00 2.21 H new ATOM 0 HA3 GLY A 176 21.371 -7.015 2.707 1.00 2.21 H new ATOM 2501 N LYS A 177 21.232 -10.092 2.048 1.00 2.76 N ATOM 2502 CA LYS A 177 21.073 -11.103 1.020 1.00 3.11 C ATOM 2503 C LYS A 177 20.437 -12.350 1.619 1.00 3.45 C ATOM 2504 O LYS A 177 19.929 -13.212 0.904 1.00 4.04 O ATOM 2505 CB LYS A 177 22.430 -11.427 0.394 1.00 3.41 C ATOM 2506 CG LYS A 177 23.073 -10.237 -0.305 1.00 3.48 C ATOM 2507 CD LYS A 177 22.265 -9.778 -1.512 1.00 3.33 C ATOM 2508 CE LYS A 177 22.260 -10.818 -2.624 1.00 3.81 C ATOM 2509 NZ LYS A 177 23.623 -11.055 -3.168 1.00 4.12 N ATOM 0 H LYS A 177 21.784 -10.392 2.852 1.00 2.76 H new ATOM 0 HA LYS A 177 20.417 -10.725 0.236 1.00 3.11 H new ATOM 0 HB2 LYS A 177 23.103 -11.790 1.171 1.00 3.41 H new ATOM 0 HB3 LYS A 177 22.306 -12.237 -0.324 1.00 3.41 H new ATOM 0 HG2 LYS A 177 23.171 -9.412 0.401 1.00 3.48 H new ATOM 0 HG3 LYS A 177 24.080 -10.505 -0.624 1.00 3.48 H new ATOM 0 HD2 LYS A 177 21.240 -9.571 -1.205 1.00 3.33 H new ATOM 0 HD3 LYS A 177 22.679 -8.844 -1.891 1.00 3.33 H new ATOM 0 HE2 LYS A 177 21.853 -11.755 -2.243 1.00 3.81 H new ATOM 0 HE3 LYS A 177 21.601 -10.488 -3.427 1.00 3.81 H new ATOM 0 HZ1 LYS A 177 23.553 -11.578 -4.064 1.00 4.12 H new ATOM 0 HZ2 LYS A 177 24.093 -10.143 -3.335 1.00 4.12 H new ATOM 0 HZ3 LYS A 177 24.177 -11.610 -2.485 1.00 4.12 H new ATOM 2523 N THR A 178 20.489 -12.427 2.944 1.00 3.23 N ATOM 2524 CA THR A 178 19.839 -13.480 3.706 1.00 3.60 C ATOM 2525 C THR A 178 18.391 -13.674 3.257 1.00 3.61 C ATOM 2526 O THR A 178 17.608 -12.728 3.238 1.00 3.37 O ATOM 2527 CB THR A 178 19.853 -13.116 5.195 1.00 3.63 C ATOM 2528 OG1 THR A 178 21.138 -12.590 5.554 1.00 3.65 O ATOM 2529 CG2 THR A 178 19.530 -14.322 6.063 1.00 4.09 C ATOM 0 H THR A 178 20.989 -11.752 3.523 1.00 3.23 H new ATOM 0 HA THR A 178 20.385 -14.408 3.536 1.00 3.60 H new ATOM 0 HB THR A 178 19.086 -12.361 5.366 1.00 3.63 H new ATOM 0 HG1 THR A 178 21.396 -12.931 6.436 1.00 3.65 H new ATOM 0 HG21 THR A 178 19.548 -14.030 7.113 1.00 4.09 H new ATOM 0 HG22 THR A 178 18.539 -14.699 5.808 1.00 4.09 H new ATOM 0 HG23 THR A 178 20.271 -15.103 5.891 1.00 4.09 H new ATOM 2537 N VAL A 179 18.044 -14.890 2.879 1.00 3.99 N ATOM 2538 CA VAL A 179 16.697 -15.187 2.438 1.00 4.10 C ATOM 2539 C VAL A 179 16.328 -16.627 2.765 1.00 4.71 C ATOM 2540 O VAL A 179 17.088 -17.559 2.493 1.00 5.02 O ATOM 2541 CB VAL A 179 16.515 -14.919 0.925 1.00 3.88 C ATOM 2542 CG1 VAL A 179 17.495 -15.737 0.100 1.00 3.70 C ATOM 2543 CG2 VAL A 179 15.082 -15.193 0.497 1.00 4.08 C ATOM 0 H VAL A 179 18.679 -15.688 2.869 1.00 3.99 H new ATOM 0 HA VAL A 179 16.026 -14.519 2.978 1.00 4.10 H new ATOM 0 HB VAL A 179 16.728 -13.865 0.744 1.00 3.88 H new ATOM 0 HG11 VAL A 179 17.343 -15.527 -0.959 1.00 3.70 H new ATOM 0 HG12 VAL A 179 18.515 -15.473 0.379 1.00 3.70 H new ATOM 0 HG13 VAL A 179 17.331 -16.798 0.287 1.00 3.70 H new ATOM 0 HG21 VAL A 179 14.977 -14.998 -0.570 1.00 4.08 H new ATOM 0 HG22 VAL A 179 14.834 -16.235 0.702 1.00 4.08 H new ATOM 0 HG23 VAL A 179 14.406 -14.543 1.053 1.00 4.08 H new ATOM 2553 N LYS A 180 15.156 -16.799 3.347 1.00 4.95 N ATOM 2554 CA LYS A 180 14.672 -18.111 3.744 1.00 5.54 C ATOM 2555 C LYS A 180 14.053 -18.839 2.550 1.00 5.65 C ATOM 2556 O LYS A 180 12.875 -19.197 2.566 1.00 6.18 O ATOM 2557 CB LYS A 180 13.652 -17.952 4.872 1.00 5.81 C ATOM 2558 CG LYS A 180 14.214 -17.214 6.081 1.00 6.30 C ATOM 2559 CD LYS A 180 13.125 -16.837 7.072 1.00 6.66 C ATOM 2560 CE LYS A 180 12.478 -18.061 7.697 1.00 7.30 C ATOM 2561 NZ LYS A 180 11.374 -17.691 8.621 1.00 7.76 N ATOM 0 H LYS A 180 14.513 -16.036 3.558 1.00 4.95 H new ATOM 0 HA LYS A 180 15.508 -18.711 4.102 1.00 5.54 H new ATOM 0 HB2 LYS A 180 12.783 -17.413 4.495 1.00 5.81 H new ATOM 0 HB3 LYS A 180 13.306 -18.938 5.183 1.00 5.81 H new ATOM 0 HG2 LYS A 180 14.955 -17.841 6.577 1.00 6.30 H new ATOM 0 HG3 LYS A 180 14.730 -16.313 5.749 1.00 6.30 H new ATOM 0 HD2 LYS A 180 13.549 -16.210 7.857 1.00 6.66 H new ATOM 0 HD3 LYS A 180 12.364 -16.243 6.566 1.00 6.66 H new ATOM 0 HE2 LYS A 180 12.092 -18.709 6.911 1.00 7.30 H new ATOM 0 HE3 LYS A 180 13.231 -18.632 8.240 1.00 7.30 H new ATOM 0 HZ1 LYS A 180 10.958 -18.553 9.027 1.00 7.76 H new ATOM 0 HZ2 LYS A 180 11.747 -17.093 9.386 1.00 7.76 H new ATOM 0 HZ3 LYS A 180 10.644 -17.168 8.097 1.00 7.76 H new ATOM 2575 N ALA A 181 14.863 -19.037 1.515 1.00 5.21 N ATOM 2576 CA ALA A 181 14.426 -19.699 0.291 1.00 5.29 C ATOM 2577 C ALA A 181 15.633 -20.083 -0.557 1.00 5.42 C ATOM 2578 O ALA A 181 15.733 -21.207 -1.049 1.00 5.90 O ATOM 2579 CB ALA A 181 13.490 -18.796 -0.501 1.00 4.80 C ATOM 0 H ALA A 181 15.840 -18.743 1.501 1.00 5.21 H new ATOM 0 HA ALA A 181 13.883 -20.605 0.561 1.00 5.29 H new ATOM 0 HB1 ALA A 181 13.175 -19.307 -1.411 1.00 4.80 H new ATOM 0 HB2 ALA A 181 12.615 -18.559 0.104 1.00 4.80 H new ATOM 0 HB3 ALA A 181 14.010 -17.875 -0.764 1.00 4.80 H new ATOM 2585 N ASP A 182 16.541 -19.132 -0.737 1.00 5.07 N ATOM 2586 CA ASP A 182 17.799 -19.388 -1.433 1.00 5.31 C ATOM 2587 C ASP A 182 18.857 -19.832 -0.420 1.00 5.76 C ATOM 2588 O ASP A 182 18.572 -19.923 0.778 1.00 6.54 O ATOM 2589 CB ASP A 182 18.257 -18.124 -2.173 1.00 4.89 C ATOM 2590 CG ASP A 182 19.354 -18.398 -3.184 1.00 5.25 C ATOM 2591 OD1 ASP A 182 19.064 -18.991 -4.241 1.00 5.58 O ATOM 2592 OD2 ASP A 182 20.516 -18.033 -2.918 1.00 5.36 O ATOM 0 H ASP A 182 16.430 -18.172 -0.410 1.00 5.07 H new ATOM 0 HA ASP A 182 17.656 -20.181 -2.167 1.00 5.31 H new ATOM 0 HB2 ASP A 182 17.403 -17.678 -2.683 1.00 4.89 H new ATOM 0 HB3 ASP A 182 18.613 -17.393 -1.447 1.00 4.89 H new ATOM 2597 N ALA A 183 20.068 -20.101 -0.889 1.00 5.36 N ATOM 2598 CA ALA A 183 21.142 -20.587 -0.030 1.00 5.75 C ATOM 2599 C ALA A 183 21.788 -19.446 0.750 1.00 5.57 C ATOM 2600 O ALA A 183 22.990 -19.205 0.640 1.00 5.67 O ATOM 2601 CB ALA A 183 22.183 -21.324 -0.856 1.00 6.13 C ATOM 0 H ALA A 183 20.333 -19.990 -1.868 1.00 5.36 H new ATOM 0 HA ALA A 183 20.709 -21.280 0.692 1.00 5.75 H new ATOM 0 HB1 ALA A 183 22.979 -21.682 -0.203 1.00 6.13 H new ATOM 0 HB2 ALA A 183 21.716 -22.172 -1.357 1.00 6.13 H new ATOM 0 HB3 ALA A 183 22.601 -20.648 -1.601 1.00 6.13 H new ATOM 2607 N LYS A 184 20.979 -18.748 1.530 1.00 5.54 N ATOM 2608 CA LYS A 184 21.452 -17.638 2.343 1.00 5.38 C ATOM 2609 C LYS A 184 20.698 -17.589 3.664 1.00 5.80 C ATOM 2610 O LYS A 184 19.722 -16.855 3.807 1.00 5.63 O ATOM 2611 CB LYS A 184 21.283 -16.316 1.588 1.00 4.64 C ATOM 2612 CG LYS A 184 22.527 -15.885 0.828 1.00 4.38 C ATOM 2613 CD LYS A 184 22.239 -14.752 -0.142 1.00 4.40 C ATOM 2614 CE LYS A 184 21.413 -15.223 -1.329 1.00 5.16 C ATOM 2615 NZ LYS A 184 22.186 -16.128 -2.220 1.00 5.62 N ATOM 0 H LYS A 184 19.980 -18.933 1.618 1.00 5.54 H new ATOM 0 HA LYS A 184 22.511 -17.789 2.552 1.00 5.38 H new ATOM 0 HB2 LYS A 184 20.454 -16.411 0.887 1.00 4.64 H new ATOM 0 HB3 LYS A 184 21.012 -15.534 2.298 1.00 4.64 H new ATOM 0 HG2 LYS A 184 23.293 -15.570 1.536 1.00 4.38 H new ATOM 0 HG3 LYS A 184 22.930 -16.737 0.281 1.00 4.38 H new ATOM 0 HD2 LYS A 184 21.708 -13.955 0.377 1.00 4.40 H new ATOM 0 HD3 LYS A 184 23.179 -14.330 -0.497 1.00 4.40 H new ATOM 0 HE2 LYS A 184 20.524 -15.741 -0.970 1.00 5.16 H new ATOM 0 HE3 LYS A 184 21.071 -14.359 -1.898 1.00 5.16 H new ATOM 0 HZ1 LYS A 184 22.242 -15.713 -3.172 1.00 5.62 H new ATOM 0 HZ2 LYS A 184 23.146 -16.253 -1.840 1.00 5.62 H new ATOM 0 HZ3 LYS A 184 21.712 -17.052 -2.272 1.00 5.62 H new ATOM 2629 N ALA A 185 21.148 -18.386 4.618 1.00 6.51 N ATOM 2630 CA ALA A 185 20.525 -18.440 5.930 1.00 7.03 C ATOM 2631 C ALA A 185 21.309 -17.605 6.930 1.00 7.29 C ATOM 2632 O ALA A 185 22.523 -17.437 6.795 1.00 7.58 O ATOM 2633 CB ALA A 185 20.427 -19.880 6.409 1.00 7.85 C ATOM 0 H ALA A 185 21.948 -19.009 4.507 1.00 6.51 H new ATOM 0 HA ALA A 185 19.519 -18.028 5.850 1.00 7.03 H new ATOM 0 HB1 ALA A 185 19.958 -19.905 7.393 1.00 7.85 H new ATOM 0 HB2 ALA A 185 19.826 -20.457 5.706 1.00 7.85 H new ATOM 0 HB3 ALA A 185 21.426 -20.311 6.472 1.00 7.85 H new ATOM 2639 N GLY A 186 20.618 -17.083 7.925 1.00 7.48 N ATOM 2640 CA GLY A 186 21.269 -16.299 8.946 1.00 8.02 C ATOM 2641 C GLY A 186 20.268 -15.559 9.796 1.00 8.81 C ATOM 2642 O GLY A 186 19.124 -16.044 9.917 1.00 9.07 O ATOM 2643 OXT GLY A 186 20.619 -14.501 10.352 1.00 9.36 O ATOM 0 H GLY A 186 19.611 -17.189 8.044 1.00 7.48 H new ATOM 0 HA2 GLY A 186 21.873 -16.951 9.577 1.00 8.02 H new ATOM 0 HA3 GLY A 186 21.950 -15.587 8.480 1.00 8.02 H new TER 2647 GLY A 186 END