USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 942 hydrogens (0 hets) HEADER TRANSCRIPTION REGULATION 24-NOV-97 1IRF TITLE INTERFERON REGULATORY FACTOR-2 DNA BINDING DOMAIN, NMR, TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERFERON REGULATORY FACTOR-2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 2-113; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 CELL_LINE: BL21; SOURCE 6 CELLULAR_LOCATION: NUCLEUS; SOURCE 7 GENE: POTENTIAL; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21 LAMBDA DE3; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS TRANSCRIPTION REGULATION, WINGED HELIX-TURN-HELIX EXPDTA SOLUTION NMR AUTHOR J.FURUI,K.UEGAKI,T.YAMAZAKI,M.SHIRAKAWA,M.B.SWINDELLS, AUTHOR 2 H.HARADA,T.TANIGUCHI,Y.KYOGOKU REVDAT 3 24-FEB-09 1IRF 1 VERSN REVDAT 2 05-APR-00 1IRF 1 JRNL REVDAT 1 28-JAN-98 1IRF 0 JRNL AUTH J.FURUI,K.UEGAKI,T.YAMAZAKI,M.SHIRAKAWA, JRNL AUTH 2 M.B.SWINDELLS,H.HARADA,T.TANIGUCHI,Y.KYOGOKU JRNL TITL SOLUTION STRUCTURE OF THE IRF-2 DNA-BINDING JRNL TITL 2 DOMAIN: A NOVEL SUBGROUP OF THE WINGED JRNL TITL 3 HELIX-TURN-HELIX FAMILY. JRNL REF STRUCTURE V. 6 491 1998 JRNL REFN ISSN 0969-2126 JRNL PMID 9562558 JRNL DOI 10.1016/S0969-2126(98)00050-1 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.UEGAKI,M.SHIRAKAWA,H.HARADA,T.TANIGUCHI,Y.KYOGOKU REMARK 1 TITL SECONDARY STRUCTURE AND FOLDING TOPOLOGY OF THE REMARK 1 TITL 2 DNA BINDING DOMAIN OF INTERFERON REGULATORY FACTOR REMARK 1 TITL 3 2, AS REVEALED BY NMR SPECTROSCOPY REMARK 1 REF FEBS LETT. V. 359 184 1995 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ENERGY INCLUDING L-J POTENTIAL, REMARK 3 ELECTROSTATIC POTENTIAL AND EXPERIMENTAL RESTRAINTS WAS REMARK 3 MINIMIZED FROM AVERAGE STRUCTURE. REMARK 4 REMARK 4 1IRF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.00 REMARK 210 PH : 5.70 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-EDITED 3D NOESY, 13C - REMARK 210 EDITED 3D NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX500, ARX500, ALPHA600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, JEOL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THE AVERAGE STRUCTURE OF 20 REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 TARGET FUNCTIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 3 68.68 -107.19 REMARK 500 ARG A 7 125.74 80.67 REMARK 500 ASN A 19 60.18 63.78 REMARK 500 PRO A 22 78.94 -68.30 REMARK 500 TRP A 38 179.07 71.70 REMARK 500 MET A 39 46.06 -101.33 REMARK 500 HIS A 44 -80.01 -128.09 REMARK 500 TRP A 46 -89.86 -149.77 REMARK 500 ILE A 69 -50.18 -121.01 REMARK 500 SER A 87 -158.27 -114.97 REMARK 500 LEU A 88 93.57 34.35 REMARK 500 PRO A 89 44.76 -66.68 REMARK 500 ASP A 90 12.60 -148.08 REMARK 500 ASP A 96 174.56 68.94 REMARK 500 ARG A 97 -52.93 -137.99 REMARK 500 SER A 98 33.71 -143.13 REMARK 500 ILE A 99 -77.06 -132.46 REMARK 500 ASN A 103 -57.65 -173.09 REMARK 500 ASN A 104 -52.21 -145.71 REMARK 500 ALA A 105 63.81 63.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 5 0.30 SIDE_CHAIN REMARK 500 ARG A 7 0.31 SIDE_CHAIN REMARK 500 ARG A 9 0.30 SIDE_CHAIN REMARK 500 ARG A 43 0.27 SIDE_CHAIN REMARK 500 ARG A 56 0.30 SIDE_CHAIN REMARK 500 ARG A 82 0.28 SIDE_CHAIN REMARK 500 ARG A 97 0.27 SIDE_CHAIN REMARK 500 ARG A 107 0.09 SIDE_CHAIN REMARK 500 ARG A 110 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IRG RELATED DB: PDB DBREF 1IRF A 2 113 UNP P23906 IRF2_MOUSE 2 113 SEQRES 1 A 112 PRO VAL GLU ARG MET ARG MET ARG PRO TRP LEU GLU GLU SEQRES 2 A 112 GLN ILE ASN SER ASN THR ILE PRO GLY LEU LYS TRP LEU SEQRES 3 A 112 ASN LYS GLU LYS LYS ILE PHE GLN ILE PRO TRP MET HIS SEQRES 4 A 112 ALA ALA ARG HIS GLY TRP ASP VAL GLU LYS ASP ALA PRO SEQRES 5 A 112 LEU PHE ARG ASN TRP ALA ILE HIS THR GLY LYS HIS GLN SEQRES 6 A 112 PRO GLY ILE ASP LYS PRO ASP PRO LYS THR TRP LYS ALA SEQRES 7 A 112 ASN PHE ARG CYS ALA MET ASN SER LEU PRO ASP ILE GLU SEQRES 8 A 112 GLU VAL LYS ASP ARG SER ILE LYS LYS GLY ASN ASN ALA SEQRES 9 A 112 PHE ARG VAL TYR ARG MET LEU PRO HELIX 1 H1 MET A 8 SER A 18 1 11 HELIX 2 H2 ALA A 52 HIS A 61 1 10 HELIX 3 H3 PRO A 74 MET A 85 1 12 SHEET 1 A 4 ILE A 91 VAL A 94 0 SHEET 2 A 4 ARG A 107 MET A 111 -1 N ARG A 110 O GLU A 92 SHEET 3 A 4 ILE A 33 ILE A 36 -1 N ILE A 36 O ARG A 107 SHEET 4 A 4 LYS A 25 ASN A 28 -1 N ASN A 28 O ILE A 33 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 103 ASN : amide:sc= 0.946 K(o=2.1,f=-0.43) USER MOD Set 1.2: A 104 ASN : amide:sc= 1.12 K(o=2.1,f=0) USER MOD Set 2.1: A 8 MET CE :methyl -171:sc= -3.21! (180deg=-2.77) USER MOD Set 2.2: A 85 MET CE :methyl -114:sc= -3.42! (180deg=-6.3!) USER MOD Set 3.1: A 62 THR OG1 : rot -84:sc= 2.07 USER MOD Set 3.2: A 64 LYS NZ :NH3+ 146:sc= 0.396! (180deg=-0.627) USER MOD Set 3.3: A 80 ASN : amide:sc= 0.155 K(o=2.6,f=-23!) USER MOD Set 4.1: A 32 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.05) USER MOD Set 4.2: A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 28 ASN : amide:sc= 1.05 K(o=2.2,f=-20!) USER MOD Set 5.2: A 31 LYS NZ :NH3+ 168:sc= 1.19! (180deg=0.679) USER MOD Set 6.1: A 25 LYS NZ :NH3+ -143:sc= 1.36 (180deg=0.234) USER MOD Set 6.2: A 35 GLN : amide:sc= 0.175 K(o=1.5,f=-18!) USER MOD Single : A 6 MET CE :methyl -152:sc= -0.618 (180deg=-2.25!) USER MOD Single : A 15 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.83) USER MOD Single : A 17 ASN : amide:sc= -0.505 K(o=-0.5,f=-5.1!) USER MOD Single : A 18 SER OG : rot 95:sc= 1.23 USER MOD Single : A 19 ASN : amide:sc= 0.489 K(o=0.49,f=-0.51) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0.878 (180deg=0.792) USER MOD Single : A 39 MET CE :methyl -169:sc= -8.14! (180deg=-9.22!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 2.32 (180deg=1.72) USER MOD Single : A 57 ASN : amide:sc= -10.5! C(o=-10!,f=-11!) USER MOD Single : A 61 HIS : no HE2:sc= -2.04 K(o=-2,f=-3.5!) USER MOD Single : A 65 HIS : no HE2:sc= -3.29 K(o=-3.3,f=-3.9) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.667 F(o=-1.6!,f=-0.67) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0.857 (180deg=0.602) USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= 0.416 (180deg=-0.89) USER MOD Single : A 76 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0.743 (180deg=0.701) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0.834 K(o=0.83,f=-7.8!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.311 USER MOD Single : A 95 LYS NZ :NH3+ -125:sc= 1.46 (180deg=-1.11!) USER MOD Single : A 98 SER OG : rot -160:sc= 0.851 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.941 (180deg=0.785) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= 1 (180deg=0.798) USER MOD Single : A 109 TYR OH : rot -140:sc= -1.61 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 98.582 23.626 -1.843 1.00 0.00 N ATOM 2 CA PRO A 2 99.537 23.118 -0.803 1.00 0.00 C ATOM 3 C PRO A 2 98.831 22.115 0.120 1.00 0.00 C ATOM 4 O PRO A 2 99.116 20.935 0.088 1.00 0.00 O ATOM 5 CB PRO A 2 100.041 24.317 0.007 1.00 0.00 C ATOM 6 CG PRO A 2 99.368 25.561 -0.562 1.00 0.00 C ATOM 7 CD PRO A 2 98.460 25.109 -1.706 1.00 0.00 C ATOM 0 HA PRO A 2 100.374 22.608 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 2 99.798 24.197 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 2 101.126 24.400 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 2 98.789 26.070 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 2 100.114 26.270 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 2 97.426 25.388 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 2 98.746 25.601 -2.635 1.00 0.00 H new ATOM 17 N VAL A 3 97.907 22.574 0.932 1.00 0.00 N ATOM 18 CA VAL A 3 97.175 21.646 1.853 1.00 0.00 C ATOM 19 C VAL A 3 95.736 21.451 1.342 1.00 0.00 C ATOM 20 O VAL A 3 94.775 21.906 1.947 1.00 0.00 O ATOM 21 CB VAL A 3 97.168 22.231 3.278 1.00 0.00 C ATOM 22 CG1 VAL A 3 98.581 22.171 3.856 1.00 0.00 C ATOM 23 CG2 VAL A 3 96.701 23.692 3.254 1.00 0.00 C ATOM 0 H VAL A 3 97.628 23.553 0.996 1.00 0.00 H new ATOM 0 HA VAL A 3 97.675 20.678 1.877 1.00 0.00 H new ATOM 0 HB VAL A 3 96.484 21.647 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 3 98.579 22.584 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 98.917 21.135 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 3 99.256 22.751 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 3 96.702 24.091 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 3 97.377 24.280 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 3 95.692 23.745 2.844 1.00 0.00 H new ATOM 33 N GLU A 4 95.584 20.786 0.222 1.00 0.00 N ATOM 34 CA GLU A 4 94.217 20.567 -0.351 1.00 0.00 C ATOM 35 C GLU A 4 93.601 19.270 0.194 1.00 0.00 C ATOM 36 O GLU A 4 94.253 18.485 0.860 1.00 0.00 O ATOM 37 CB GLU A 4 94.306 20.508 -1.883 1.00 0.00 C ATOM 38 CG GLU A 4 94.198 21.931 -2.447 1.00 0.00 C ATOM 39 CD GLU A 4 95.590 22.559 -2.547 1.00 0.00 C ATOM 40 OE1 GLU A 4 96.166 22.863 -1.513 1.00 0.00 O ATOM 41 OE2 GLU A 4 96.065 22.726 -3.653 1.00 0.00 O ATOM 0 H GLU A 4 96.348 20.385 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 4 93.575 21.398 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 95.249 20.053 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 4 93.507 19.883 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 4 93.729 21.907 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 4 93.561 22.539 -1.805 1.00 0.00 H new ATOM 48 N ARG A 5 92.337 19.049 -0.083 1.00 0.00 N ATOM 49 CA ARG A 5 91.654 17.823 0.412 1.00 0.00 C ATOM 50 C ARG A 5 90.943 17.115 -0.745 1.00 0.00 C ATOM 51 O ARG A 5 89.754 17.281 -0.975 1.00 0.00 O ATOM 52 CB ARG A 5 90.654 18.208 1.506 1.00 0.00 C ATOM 53 CG ARG A 5 91.427 18.482 2.794 1.00 0.00 C ATOM 54 CD ARG A 5 90.549 19.262 3.777 1.00 0.00 C ATOM 55 NE ARG A 5 91.040 20.676 3.910 1.00 0.00 N ATOM 56 CZ ARG A 5 92.249 21.002 3.556 1.00 0.00 C ATOM 57 NH1 ARG A 5 93.256 20.658 4.291 1.00 0.00 N ATOM 58 NH2 ARG A 5 92.441 21.680 2.474 1.00 0.00 N ATOM 0 H ARG A 5 91.750 19.674 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 5 92.391 17.137 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 5 90.088 19.091 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 5 89.933 17.405 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 5 91.744 17.541 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 5 92.331 19.050 2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 5 89.515 19.260 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 5 90.560 18.773 4.751 1.00 0.00 H new ATOM 0 HE ARG A 5 90.416 21.391 4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 5 93.103 20.130 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 5 94.203 20.915 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 5 91.646 21.959 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 5 93.388 21.937 2.194 1.00 0.00 H new ATOM 72 N MET A 6 91.684 16.319 -1.467 1.00 0.00 N ATOM 73 CA MET A 6 91.116 15.551 -2.621 1.00 0.00 C ATOM 74 C MET A 6 90.082 14.524 -2.121 1.00 0.00 C ATOM 75 O MET A 6 89.247 14.067 -2.877 1.00 0.00 O ATOM 76 CB MET A 6 92.257 14.813 -3.327 1.00 0.00 C ATOM 77 CG MET A 6 92.434 15.372 -4.737 1.00 0.00 C ATOM 78 SD MET A 6 91.007 14.909 -5.755 1.00 0.00 S ATOM 79 CE MET A 6 91.157 13.112 -5.583 1.00 0.00 C ATOM 0 H MET A 6 92.679 16.163 -1.305 1.00 0.00 H new ATOM 0 HA MET A 6 90.625 16.240 -3.308 1.00 0.00 H new ATOM 0 HB2 MET A 6 93.182 14.926 -2.761 1.00 0.00 H new ATOM 0 HB3 MET A 6 92.040 13.746 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 6 92.531 16.457 -4.700 1.00 0.00 H new ATOM 0 HG3 MET A 6 93.351 14.985 -5.181 1.00 0.00 H new ATOM 0 HE1 MET A 6 90.739 12.626 -6.465 1.00 0.00 H new ATOM 0 HE2 MET A 6 92.208 12.842 -5.484 1.00 0.00 H new ATOM 0 HE3 MET A 6 90.614 12.785 -4.697 1.00 0.00 H new ATOM 89 N ARG A 7 90.153 14.165 -0.850 1.00 0.00 N ATOM 90 CA ARG A 7 89.208 13.168 -0.238 1.00 0.00 C ATOM 91 C ARG A 7 89.654 11.742 -0.575 1.00 0.00 C ATOM 92 O ARG A 7 89.839 11.375 -1.726 1.00 0.00 O ATOM 93 CB ARG A 7 87.770 13.388 -0.719 1.00 0.00 C ATOM 94 CG ARG A 7 86.958 14.045 0.396 1.00 0.00 C ATOM 95 CD ARG A 7 87.228 15.549 0.396 1.00 0.00 C ATOM 96 NE ARG A 7 86.836 16.117 -0.929 1.00 0.00 N ATOM 97 CZ ARG A 7 86.550 17.369 -1.038 1.00 0.00 C ATOM 98 NH1 ARG A 7 87.501 18.230 -1.192 1.00 0.00 N ATOM 99 NH2 ARG A 7 85.314 17.751 -0.990 1.00 0.00 N ATOM 0 H ARG A 7 90.846 14.534 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 7 89.230 13.311 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 7 87.764 14.018 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 7 87.319 12.436 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 7 85.895 13.854 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 7 87.228 13.615 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 7 86.664 16.032 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 7 88.283 15.741 0.590 1.00 0.00 H new ATOM 0 HE ARG A 7 86.795 15.512 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 7 88.471 17.917 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 7 87.281 19.222 -1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 7 84.572 17.062 -0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 7 85.082 18.741 -1.076 1.00 0.00 H new ATOM 113 N MET A 8 89.822 10.936 0.441 1.00 0.00 N ATOM 114 CA MET A 8 90.262 9.527 0.241 1.00 0.00 C ATOM 115 C MET A 8 89.208 8.728 -0.560 1.00 0.00 C ATOM 116 O MET A 8 89.548 7.994 -1.468 1.00 0.00 O ATOM 117 CB MET A 8 90.459 8.871 1.610 1.00 0.00 C ATOM 118 CG MET A 8 91.204 7.547 1.440 1.00 0.00 C ATOM 119 SD MET A 8 90.695 6.406 2.747 1.00 0.00 S ATOM 120 CE MET A 8 91.051 4.874 1.854 1.00 0.00 C ATOM 0 H MET A 8 89.670 11.200 1.414 1.00 0.00 H new ATOM 0 HA MET A 8 91.196 9.526 -0.321 1.00 0.00 H new ATOM 0 HB2 MET A 8 91.022 9.535 2.266 1.00 0.00 H new ATOM 0 HB3 MET A 8 89.493 8.698 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.988 7.118 0.462 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.280 7.713 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 8 90.660 4.026 2.416 1.00 0.00 H new ATOM 0 HE2 MET A 8 90.579 4.907 0.872 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.129 4.765 1.734 1.00 0.00 H new ATOM 130 N ARG A 9 87.940 8.849 -0.211 1.00 0.00 N ATOM 131 CA ARG A 9 86.856 8.077 -0.927 1.00 0.00 C ATOM 132 C ARG A 9 87.018 8.157 -2.462 1.00 0.00 C ATOM 133 O ARG A 9 87.133 7.130 -3.109 1.00 0.00 O ATOM 134 CB ARG A 9 85.480 8.605 -0.503 1.00 0.00 C ATOM 135 CG ARG A 9 85.029 7.861 0.760 1.00 0.00 C ATOM 136 CD ARG A 9 83.553 8.152 1.046 1.00 0.00 C ATOM 137 NE ARG A 9 82.742 6.912 0.835 1.00 0.00 N ATOM 138 CZ ARG A 9 81.576 6.986 0.269 1.00 0.00 C ATOM 139 NH1 ARG A 9 81.486 7.269 -0.990 1.00 0.00 N ATOM 140 NH2 ARG A 9 80.507 6.785 0.969 1.00 0.00 N ATOM 0 H ARG A 9 87.607 9.451 0.542 1.00 0.00 H new ATOM 0 HA ARG A 9 86.943 7.027 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 9 85.530 9.677 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 9 84.757 8.458 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 9 85.178 6.789 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 9 85.639 8.168 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 9 83.434 8.505 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 9 83.196 8.947 0.391 1.00 0.00 H new ATOM 0 HE ARG A 9 83.106 6.008 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 9 82.331 7.434 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 9 80.570 7.327 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 9 80.581 6.569 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 9 79.590 6.843 0.527 1.00 0.00 H new ATOM 154 N PRO A 10 87.044 9.360 -3.010 1.00 0.00 N ATOM 155 CA PRO A 10 87.217 9.547 -4.464 1.00 0.00 C ATOM 156 C PRO A 10 88.657 9.199 -4.871 1.00 0.00 C ATOM 157 O PRO A 10 88.880 8.613 -5.914 1.00 0.00 O ATOM 158 CB PRO A 10 86.885 11.019 -4.694 1.00 0.00 C ATOM 159 CG PRO A 10 87.068 11.715 -3.334 1.00 0.00 C ATOM 160 CD PRO A 10 86.917 10.621 -2.257 1.00 0.00 C ATOM 0 HA PRO A 10 86.579 8.900 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 10 87.543 11.454 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 10 85.864 11.136 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 10 88.047 12.190 -3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 10 86.324 12.500 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 10 87.687 10.707 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 10 85.954 10.689 -1.751 1.00 0.00 H new ATOM 168 N TRP A 11 89.633 9.521 -4.040 1.00 0.00 N ATOM 169 CA TRP A 11 91.057 9.168 -4.364 1.00 0.00 C ATOM 170 C TRP A 11 91.141 7.657 -4.639 1.00 0.00 C ATOM 171 O TRP A 11 91.761 7.222 -5.593 1.00 0.00 O ATOM 172 CB TRP A 11 91.948 9.521 -3.161 1.00 0.00 C ATOM 173 CG TRP A 11 93.402 9.473 -3.536 1.00 0.00 C ATOM 174 CD1 TRP A 11 94.129 10.538 -3.947 1.00 0.00 C ATOM 175 CD2 TRP A 11 94.321 8.338 -3.513 1.00 0.00 C ATOM 176 NE1 TRP A 11 95.433 10.127 -4.183 1.00 0.00 N ATOM 177 CE2 TRP A 11 95.599 8.784 -3.929 1.00 0.00 C ATOM 178 CE3 TRP A 11 94.171 6.981 -3.181 1.00 0.00 C ATOM 179 CZ2 TRP A 11 96.690 7.918 -4.006 1.00 0.00 C ATOM 180 CZ3 TRP A 11 95.265 6.105 -3.258 1.00 0.00 C ATOM 181 CH2 TRP A 11 96.521 6.573 -3.668 1.00 0.00 C ATOM 0 H TRP A 11 89.501 10.011 -3.155 1.00 0.00 H new ATOM 0 HA TRP A 11 91.393 9.722 -5.240 1.00 0.00 H new ATOM 0 HB2 TRP A 11 91.695 10.517 -2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 11 91.756 8.825 -2.345 1.00 0.00 H new ATOM 0 HD1 TRP A 11 93.755 11.544 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 11 96.178 10.745 -4.505 1.00 0.00 H new ATOM 0 HE3 TRP A 11 93.208 6.610 -2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 97.655 8.284 -4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 95.138 5.064 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 11 97.359 5.893 -3.723 1.00 0.00 H new ATOM 192 N LEU A 12 90.494 6.860 -3.813 1.00 0.00 N ATOM 193 CA LEU A 12 90.503 5.383 -4.006 1.00 0.00 C ATOM 194 C LEU A 12 89.634 5.037 -5.213 1.00 0.00 C ATOM 195 O LEU A 12 90.045 4.290 -6.081 1.00 0.00 O ATOM 196 CB LEU A 12 89.952 4.704 -2.746 1.00 0.00 C ATOM 197 CG LEU A 12 91.016 3.780 -2.153 1.00 0.00 C ATOM 198 CD1 LEU A 12 92.092 4.613 -1.455 1.00 0.00 C ATOM 199 CD2 LEU A 12 90.365 2.849 -1.136 1.00 0.00 C ATOM 0 H LEU A 12 89.957 7.181 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 12 91.520 5.032 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 12 89.660 5.457 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 12 89.056 4.133 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 12 91.472 3.195 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 12 92.848 3.951 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 12 92.558 5.284 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 12 91.637 5.199 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 91.121 2.189 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 89.911 3.440 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 12 89.597 2.252 -1.628 1.00 0.00 H new ATOM 211 N GLU A 13 88.446 5.596 -5.287 1.00 0.00 N ATOM 212 CA GLU A 13 87.552 5.323 -6.455 1.00 0.00 C ATOM 213 C GLU A 13 88.357 5.544 -7.750 1.00 0.00 C ATOM 214 O GLU A 13 88.226 4.798 -8.706 1.00 0.00 O ATOM 215 CB GLU A 13 86.342 6.274 -6.395 1.00 0.00 C ATOM 216 CG GLU A 13 85.122 5.644 -7.102 1.00 0.00 C ATOM 217 CD GLU A 13 84.028 5.249 -6.089 1.00 0.00 C ATOM 218 OE1 GLU A 13 83.794 5.988 -5.142 1.00 0.00 O ATOM 219 OE2 GLU A 13 83.420 4.211 -6.291 1.00 0.00 O ATOM 0 H GLU A 13 88.059 6.229 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 13 87.188 4.296 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 13 86.095 6.492 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 13 86.594 7.223 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 13 84.713 6.350 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 13 85.438 4.763 -7.661 1.00 0.00 H new ATOM 226 N GLU A 14 89.215 6.545 -7.761 1.00 0.00 N ATOM 227 CA GLU A 14 90.067 6.824 -8.961 1.00 0.00 C ATOM 228 C GLU A 14 91.157 5.744 -9.090 1.00 0.00 C ATOM 229 O GLU A 14 91.203 5.027 -10.070 1.00 0.00 O ATOM 230 CB GLU A 14 90.726 8.200 -8.799 1.00 0.00 C ATOM 231 CG GLU A 14 91.077 8.775 -10.178 1.00 0.00 C ATOM 232 CD GLU A 14 92.482 8.326 -10.597 1.00 0.00 C ATOM 233 OE1 GLU A 14 93.440 8.904 -10.111 1.00 0.00 O ATOM 234 OE2 GLU A 14 92.573 7.418 -11.410 1.00 0.00 O ATOM 0 H GLU A 14 89.359 7.184 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 14 89.447 6.814 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 90.052 8.877 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 14 91.627 8.113 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 14 90.346 8.443 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.029 9.864 -10.149 1.00 0.00 H new ATOM 241 N GLN A 15 92.035 5.620 -8.107 1.00 0.00 N ATOM 242 CA GLN A 15 93.127 4.580 -8.182 1.00 0.00 C ATOM 243 C GLN A 15 92.528 3.217 -8.544 1.00 0.00 C ATOM 244 O GLN A 15 93.041 2.510 -9.396 1.00 0.00 O ATOM 245 CB GLN A 15 93.838 4.452 -6.827 1.00 0.00 C ATOM 246 CG GLN A 15 94.414 5.802 -6.383 1.00 0.00 C ATOM 247 CD GLN A 15 95.116 6.499 -7.550 1.00 0.00 C ATOM 248 OE1 GLN A 15 96.057 5.977 -8.111 1.00 0.00 O ATOM 249 NE2 GLN A 15 94.695 7.663 -7.940 1.00 0.00 N ATOM 0 H GLN A 15 92.042 6.191 -7.262 1.00 0.00 H new ATOM 0 HA GLN A 15 93.841 4.891 -8.945 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.137 4.087 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 15 94.639 3.716 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 15 93.614 6.437 -6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 15 95.119 5.651 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.904 8.103 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.155 8.138 -8.717 1.00 0.00 H new ATOM 258 N ILE A 16 91.445 2.847 -7.901 1.00 0.00 N ATOM 259 CA ILE A 16 90.795 1.533 -8.197 1.00 0.00 C ATOM 260 C ILE A 16 90.319 1.522 -9.658 1.00 0.00 C ATOM 261 O ILE A 16 90.586 0.591 -10.395 1.00 0.00 O ATOM 262 CB ILE A 16 89.592 1.324 -7.266 1.00 0.00 C ATOM 263 CG1 ILE A 16 90.028 1.408 -5.803 1.00 0.00 C ATOM 264 CG2 ILE A 16 88.995 -0.057 -7.504 1.00 0.00 C ATOM 265 CD1 ILE A 16 88.817 1.775 -4.946 1.00 0.00 C ATOM 0 H ILE A 16 90.983 3.402 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 16 91.514 0.730 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 16 88.857 2.101 -7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.444 0.454 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.813 2.155 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 16 88.141 -0.203 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 16 88.669 -0.139 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 16 89.747 -0.819 -7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 16 89.117 1.838 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.422 2.738 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.047 1.011 -5.058 1.00 0.00 H new ATOM 277 N ASN A 17 89.619 2.554 -10.077 1.00 0.00 N ATOM 278 CA ASN A 17 89.122 2.624 -11.489 1.00 0.00 C ATOM 279 C ASN A 17 90.303 2.611 -12.470 1.00 0.00 C ATOM 280 O ASN A 17 90.291 1.901 -13.458 1.00 0.00 O ATOM 281 CB ASN A 17 88.332 3.923 -11.675 1.00 0.00 C ATOM 282 CG ASN A 17 86.834 3.632 -11.667 1.00 0.00 C ATOM 283 OD1 ASN A 17 86.321 3.004 -10.765 1.00 0.00 O ATOM 284 ND2 ASN A 17 86.104 4.081 -12.638 1.00 0.00 N ATOM 0 H ASN A 17 89.370 3.355 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 17 88.486 1.762 -11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 17 88.578 4.625 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 17 88.613 4.397 -12.615 1.00 0.00 H new ATOM 0 HD21 ASN A 17 85.099 3.906 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 17 86.534 4.609 -13.397 1.00 0.00 H new ATOM 291 N SER A 18 91.315 3.397 -12.200 1.00 0.00 N ATOM 292 CA SER A 18 92.506 3.454 -13.108 1.00 0.00 C ATOM 293 C SER A 18 93.313 2.147 -13.024 1.00 0.00 C ATOM 294 O SER A 18 94.010 1.794 -13.956 1.00 0.00 O ATOM 295 CB SER A 18 93.399 4.634 -12.710 1.00 0.00 C ATOM 296 OG SER A 18 92.896 5.825 -13.307 1.00 0.00 O ATOM 0 H SER A 18 91.369 4.007 -11.384 1.00 0.00 H new ATOM 0 HA SER A 18 92.158 3.585 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 18 93.422 4.738 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 18 94.424 4.455 -13.035 1.00 0.00 H new ATOM 0 HG SER A 18 92.316 6.291 -12.669 1.00 0.00 H new ATOM 302 N ASN A 19 93.227 1.434 -11.918 1.00 0.00 N ATOM 303 CA ASN A 19 93.989 0.150 -11.771 1.00 0.00 C ATOM 304 C ASN A 19 95.500 0.447 -11.809 1.00 0.00 C ATOM 305 O ASN A 19 96.226 -0.030 -12.668 1.00 0.00 O ATOM 306 CB ASN A 19 93.590 -0.804 -12.911 1.00 0.00 C ATOM 307 CG ASN A 19 94.064 -2.228 -12.606 1.00 0.00 C ATOM 308 OD1 ASN A 19 93.294 -3.058 -12.176 1.00 0.00 O ATOM 309 ND2 ASN A 19 95.307 -2.549 -12.815 1.00 0.00 N ATOM 0 H ASN A 19 92.659 1.690 -11.110 1.00 0.00 H new ATOM 0 HA ASN A 19 93.753 -0.323 -10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 19 92.508 -0.794 -13.040 1.00 0.00 H new ATOM 0 HB3 ASN A 19 94.026 -0.462 -13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 19 95.629 -3.496 -12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 19 95.959 -1.854 -13.177 1.00 0.00 H new ATOM 316 N THR A 20 95.974 1.247 -10.879 1.00 0.00 N ATOM 317 CA THR A 20 97.434 1.598 -10.848 1.00 0.00 C ATOM 318 C THR A 20 98.255 0.456 -10.216 1.00 0.00 C ATOM 319 O THR A 20 99.405 0.252 -10.564 1.00 0.00 O ATOM 320 CB THR A 20 97.635 2.904 -10.061 1.00 0.00 C ATOM 321 OG1 THR A 20 98.948 3.391 -10.299 1.00 0.00 O ATOM 322 CG2 THR A 20 97.442 2.660 -8.561 1.00 0.00 C ATOM 0 H THR A 20 95.413 1.672 -10.140 1.00 0.00 H new ATOM 0 HA THR A 20 97.785 1.740 -11.870 1.00 0.00 H new ATOM 0 HB THR A 20 96.899 3.637 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 20 99.083 4.225 -9.802 1.00 0.00 H new ATOM 0 HG21 THR A 20 97.588 3.594 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 20 96.433 2.289 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 20 98.167 1.923 -8.216 1.00 0.00 H new ATOM 330 N ILE A 21 97.678 -0.298 -9.307 1.00 0.00 N ATOM 331 CA ILE A 21 98.432 -1.433 -8.675 1.00 0.00 C ATOM 332 C ILE A 21 97.885 -2.765 -9.223 1.00 0.00 C ATOM 333 O ILE A 21 96.681 -2.975 -9.247 1.00 0.00 O ATOM 334 CB ILE A 21 98.275 -1.393 -7.144 1.00 0.00 C ATOM 335 CG1 ILE A 21 98.421 0.048 -6.631 1.00 0.00 C ATOM 336 CG2 ILE A 21 99.355 -2.267 -6.493 1.00 0.00 C ATOM 337 CD1 ILE A 21 99.867 0.525 -6.808 1.00 0.00 C ATOM 0 H ILE A 21 96.721 -0.178 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 21 99.491 -1.341 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 21 97.285 -1.769 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 21 97.743 0.706 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 21 98.139 0.098 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.242 -2.238 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 21 99.250 -3.295 -6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 21 100.341 -1.891 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 21 99.960 1.547 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 21 100.536 -0.125 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 21 100.134 0.492 -7.864 1.00 0.00 H new ATOM 349 N PRO A 22 98.787 -3.634 -9.646 1.00 0.00 N ATOM 350 CA PRO A 22 98.419 -4.954 -10.208 1.00 0.00 C ATOM 351 C PRO A 22 97.828 -5.851 -9.109 1.00 0.00 C ATOM 352 O PRO A 22 98.487 -6.712 -8.553 1.00 0.00 O ATOM 353 CB PRO A 22 99.745 -5.492 -10.768 1.00 0.00 C ATOM 354 CG PRO A 22 100.869 -4.724 -10.039 1.00 0.00 C ATOM 355 CD PRO A 22 100.248 -3.393 -9.576 1.00 0.00 C ATOM 0 HA PRO A 22 97.651 -4.909 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 22 99.833 -6.565 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 22 99.803 -5.336 -11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 22 101.244 -5.295 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 22 101.715 -4.549 -10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 22 100.562 -3.137 -8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 22 100.547 -2.567 -10.221 1.00 0.00 H new ATOM 363 N GLY A 23 96.578 -5.622 -8.791 1.00 0.00 N ATOM 364 CA GLY A 23 95.893 -6.413 -7.723 1.00 0.00 C ATOM 365 C GLY A 23 94.793 -5.554 -7.087 1.00 0.00 C ATOM 366 O GLY A 23 93.709 -6.041 -6.798 1.00 0.00 O ATOM 0 H GLY A 23 95.996 -4.911 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 95.463 -7.321 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 23 96.613 -6.723 -6.965 1.00 0.00 H new ATOM 370 N LEU A 24 95.054 -4.276 -6.893 1.00 0.00 N ATOM 371 CA LEU A 24 94.021 -3.375 -6.296 1.00 0.00 C ATOM 372 C LEU A 24 93.025 -3.000 -7.397 1.00 0.00 C ATOM 373 O LEU A 24 93.411 -2.544 -8.459 1.00 0.00 O ATOM 374 CB LEU A 24 94.713 -2.131 -5.689 1.00 0.00 C ATOM 375 CG LEU A 24 94.067 -0.831 -6.184 1.00 0.00 C ATOM 376 CD1 LEU A 24 92.640 -0.711 -5.645 1.00 0.00 C ATOM 377 CD2 LEU A 24 94.883 0.359 -5.683 1.00 0.00 C ATOM 0 H LEU A 24 95.939 -3.824 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 24 93.480 -3.870 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 94.656 -2.176 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 95.771 -2.137 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 24 94.042 -0.842 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 92.192 0.216 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 24 92.048 -1.558 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 24 92.662 -0.706 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 24 94.427 1.286 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 24 94.903 0.353 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 95.901 0.289 -6.065 1.00 0.00 H new ATOM 389 N LYS A 25 91.753 -3.217 -7.169 1.00 0.00 N ATOM 390 CA LYS A 25 90.746 -2.895 -8.241 1.00 0.00 C ATOM 391 C LYS A 25 89.312 -3.185 -7.778 1.00 0.00 C ATOM 392 O LYS A 25 89.083 -3.823 -6.764 1.00 0.00 O ATOM 393 CB LYS A 25 91.045 -3.738 -9.492 1.00 0.00 C ATOM 394 CG LYS A 25 91.625 -5.094 -9.080 1.00 0.00 C ATOM 395 CD LYS A 25 90.569 -5.876 -8.312 1.00 0.00 C ATOM 396 CE LYS A 25 90.847 -7.370 -8.447 1.00 0.00 C ATOM 397 NZ LYS A 25 91.984 -7.746 -7.557 1.00 0.00 N ATOM 0 H LYS A 25 91.368 -3.596 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 25 90.826 -1.831 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 25 90.132 -3.883 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 25 91.750 -3.212 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 25 91.939 -5.652 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 25 92.511 -4.951 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 25 90.579 -5.587 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 89.576 -5.643 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 25 89.958 -7.942 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 25 91.085 -7.615 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 92.569 -8.467 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 92.563 -6.905 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 91.614 -8.129 -6.664 1.00 0.00 H new ATOM 411 N TRP A 26 88.342 -2.727 -8.540 1.00 0.00 N ATOM 412 CA TRP A 26 86.912 -2.978 -8.183 1.00 0.00 C ATOM 413 C TRP A 26 86.563 -4.438 -8.497 1.00 0.00 C ATOM 414 O TRP A 26 86.625 -4.865 -9.638 1.00 0.00 O ATOM 415 CB TRP A 26 85.974 -2.086 -9.020 1.00 0.00 C ATOM 416 CG TRP A 26 86.061 -0.652 -8.605 1.00 0.00 C ATOM 417 CD1 TRP A 26 86.570 0.333 -9.368 1.00 0.00 C ATOM 418 CD2 TRP A 26 85.609 -0.019 -7.373 1.00 0.00 C ATOM 419 NE1 TRP A 26 86.484 1.527 -8.678 1.00 0.00 N ATOM 420 CE2 TRP A 26 85.898 1.362 -7.443 1.00 0.00 C ATOM 421 CE3 TRP A 26 84.993 -0.505 -6.216 1.00 0.00 C ATOM 422 CZ2 TRP A 26 85.583 2.228 -6.398 1.00 0.00 C ATOM 423 CZ3 TRP A 26 84.671 0.362 -5.159 1.00 0.00 C ATOM 424 CH2 TRP A 26 84.967 1.726 -5.251 1.00 0.00 C ATOM 0 H TRP A 26 88.484 -2.189 -9.395 1.00 0.00 H new ATOM 0 HA TRP A 26 86.783 -2.757 -7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 26 86.232 -2.176 -10.075 1.00 0.00 H new ATOM 0 HB3 TRP A 26 84.947 -2.435 -8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 26 86.980 0.210 -10.360 1.00 0.00 H new ATOM 0 HE1 TRP A 26 86.814 2.422 -9.040 1.00 0.00 H new ATOM 0 HE3 TRP A 26 84.763 -1.557 -6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 85.814 3.280 -6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 84.193 -0.026 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 26 84.719 2.389 -4.436 1.00 0.00 H new ATOM 435 N LEU A 27 86.144 -5.190 -7.515 1.00 0.00 N ATOM 436 CA LEU A 27 85.723 -6.597 -7.779 1.00 0.00 C ATOM 437 C LEU A 27 84.295 -6.525 -8.329 1.00 0.00 C ATOM 438 O LEU A 27 83.898 -7.284 -9.193 1.00 0.00 O ATOM 439 CB LEU A 27 85.747 -7.430 -6.486 1.00 0.00 C ATOM 440 CG LEU A 27 86.955 -7.056 -5.617 1.00 0.00 C ATOM 441 CD1 LEU A 27 87.157 -8.132 -4.550 1.00 0.00 C ATOM 442 CD2 LEU A 27 88.217 -6.972 -6.480 1.00 0.00 C ATOM 0 H LEU A 27 86.075 -4.892 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 27 86.402 -7.077 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 84.826 -7.266 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 85.786 -8.491 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 27 86.772 -6.089 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.014 -7.872 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.265 -8.199 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.336 -9.093 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 89.069 -6.706 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 27 88.400 -7.938 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 88.081 -6.212 -7.250 1.00 0.00 H new ATOM 454 N ASN A 28 83.540 -5.574 -7.834 1.00 0.00 N ATOM 455 CA ASN A 28 82.141 -5.350 -8.296 1.00 0.00 C ATOM 456 C ASN A 28 81.900 -3.827 -8.276 1.00 0.00 C ATOM 457 O ASN A 28 81.282 -3.291 -7.371 1.00 0.00 O ATOM 458 CB ASN A 28 81.167 -6.074 -7.349 1.00 0.00 C ATOM 459 CG ASN A 28 80.674 -7.388 -7.979 1.00 0.00 C ATOM 460 OD1 ASN A 28 79.590 -7.846 -7.673 1.00 0.00 O ATOM 461 ND2 ASN A 28 81.418 -8.029 -8.835 1.00 0.00 N ATOM 0 H ASN A 28 83.848 -4.927 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 28 81.981 -5.743 -9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 28 81.661 -6.283 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 28 80.317 -5.428 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 28 81.089 -8.905 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 28 82.329 -7.655 -9.099 1.00 0.00 H new ATOM 468 N LYS A 29 82.434 -3.124 -9.256 1.00 0.00 N ATOM 469 CA LYS A 29 82.290 -1.629 -9.298 1.00 0.00 C ATOM 470 C LYS A 29 80.806 -1.229 -9.334 1.00 0.00 C ATOM 471 O LYS A 29 80.447 -0.173 -8.845 1.00 0.00 O ATOM 472 CB LYS A 29 83.042 -1.068 -10.524 1.00 0.00 C ATOM 473 CG LYS A 29 82.497 0.316 -10.914 1.00 0.00 C ATOM 474 CD LYS A 29 83.372 1.408 -10.292 1.00 0.00 C ATOM 475 CE LYS A 29 82.896 1.727 -8.871 1.00 0.00 C ATOM 476 NZ LYS A 29 83.345 3.111 -8.532 1.00 0.00 N ATOM 0 H LYS A 29 82.964 -3.525 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 29 82.727 -1.204 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 29 84.106 -0.995 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 29 82.939 -1.754 -11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 29 82.484 0.420 -11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 29 81.468 0.422 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 29 84.412 1.081 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 29 83.334 2.308 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 29 81.810 1.653 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 29 83.307 1.009 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 83.296 3.249 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 84.325 3.247 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 82.727 3.802 -9.004 1.00 0.00 H new ATOM 490 N GLU A 30 79.944 -2.055 -9.886 1.00 0.00 N ATOM 491 CA GLU A 30 78.487 -1.708 -9.923 1.00 0.00 C ATOM 492 C GLU A 30 78.007 -1.422 -8.485 1.00 0.00 C ATOM 493 O GLU A 30 77.388 -0.410 -8.221 1.00 0.00 O ATOM 494 CB GLU A 30 77.716 -2.870 -10.586 1.00 0.00 C ATOM 495 CG GLU A 30 76.783 -3.586 -9.596 1.00 0.00 C ATOM 496 CD GLU A 30 77.469 -4.835 -9.039 1.00 0.00 C ATOM 497 OE1 GLU A 30 78.588 -4.721 -8.561 1.00 0.00 O ATOM 498 OE2 GLU A 30 76.852 -5.888 -9.075 1.00 0.00 O ATOM 0 H GLU A 30 80.187 -2.950 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 30 78.305 -0.811 -10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.131 -2.486 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.426 -3.587 -10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.519 -2.912 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.854 -3.863 -10.095 1.00 0.00 H new ATOM 505 N LYS A 31 78.326 -2.290 -7.549 1.00 0.00 N ATOM 506 CA LYS A 31 77.929 -2.058 -6.125 1.00 0.00 C ATOM 507 C LYS A 31 79.083 -1.347 -5.379 1.00 0.00 C ATOM 508 O LYS A 31 79.023 -1.146 -4.180 1.00 0.00 O ATOM 509 CB LYS A 31 77.616 -3.400 -5.452 1.00 0.00 C ATOM 510 CG LYS A 31 76.365 -4.023 -6.086 1.00 0.00 C ATOM 511 CD LYS A 31 76.260 -5.506 -5.700 1.00 0.00 C ATOM 512 CE LYS A 31 77.578 -6.229 -6.006 1.00 0.00 C ATOM 513 NZ LYS A 31 77.354 -7.258 -7.061 1.00 0.00 N ATOM 0 H LYS A 31 78.846 -3.152 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 31 77.039 -1.429 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.464 -4.077 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 77.458 -3.253 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 31 75.475 -3.489 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 31 76.410 -3.924 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 31 76.025 -5.597 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 75.444 -5.975 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 31 78.329 -5.512 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 31 77.964 -6.700 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 78.271 -7.602 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 76.815 -8.053 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 76.819 -6.838 -7.848 1.00 0.00 H new ATOM 527 N LYS A 32 80.121 -0.956 -6.098 1.00 0.00 N ATOM 528 CA LYS A 32 81.290 -0.237 -5.492 1.00 0.00 C ATOM 529 C LYS A 32 82.106 -1.155 -4.559 1.00 0.00 C ATOM 530 O LYS A 32 82.399 -0.819 -3.430 1.00 0.00 O ATOM 531 CB LYS A 32 80.792 0.996 -4.734 1.00 0.00 C ATOM 532 CG LYS A 32 80.717 2.193 -5.687 1.00 0.00 C ATOM 533 CD LYS A 32 80.709 3.494 -4.881 1.00 0.00 C ATOM 534 CE LYS A 32 81.887 3.499 -3.907 1.00 0.00 C ATOM 535 NZ LYS A 32 82.109 4.887 -3.406 1.00 0.00 N ATOM 0 H LYS A 32 80.203 -1.112 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 32 81.956 0.074 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 32 79.810 0.799 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 32 81.463 1.221 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 32 81.568 2.181 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 79.817 2.127 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 32 80.775 4.350 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 32 79.771 3.589 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 32 81.686 2.827 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 32 82.785 3.132 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 82.779 4.866 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 82.498 5.474 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 81.205 5.289 -3.086 1.00 0.00 H new ATOM 549 N ILE A 33 82.513 -2.298 -5.043 1.00 0.00 N ATOM 550 CA ILE A 33 83.344 -3.229 -4.208 1.00 0.00 C ATOM 551 C ILE A 33 84.781 -3.190 -4.719 1.00 0.00 C ATOM 552 O ILE A 33 85.042 -3.567 -5.843 1.00 0.00 O ATOM 553 CB ILE A 33 82.796 -4.651 -4.324 1.00 0.00 C ATOM 554 CG1 ILE A 33 81.459 -4.737 -3.591 1.00 0.00 C ATOM 555 CG2 ILE A 33 83.790 -5.632 -3.696 1.00 0.00 C ATOM 556 CD1 ILE A 33 80.362 -4.129 -4.467 1.00 0.00 C ATOM 0 H ILE A 33 82.307 -2.633 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 33 83.312 -2.921 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 33 82.652 -4.905 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.223 -5.776 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.517 -4.206 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.401 -6.647 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.745 -5.566 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.933 -5.382 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 33 79.406 -4.189 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 33 80.598 -3.085 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 33 80.299 -4.679 -5.406 1.00 0.00 H new ATOM 568 N PHE A 34 85.712 -2.727 -3.923 1.00 0.00 N ATOM 569 CA PHE A 34 87.126 -2.658 -4.403 1.00 0.00 C ATOM 570 C PHE A 34 88.040 -3.499 -3.510 1.00 0.00 C ATOM 571 O PHE A 34 87.870 -3.561 -2.314 1.00 0.00 O ATOM 572 CB PHE A 34 87.595 -1.189 -4.414 1.00 0.00 C ATOM 573 CG PHE A 34 87.991 -0.728 -3.021 1.00 0.00 C ATOM 574 CD1 PHE A 34 87.029 -0.204 -2.143 1.00 0.00 C ATOM 575 CD2 PHE A 34 89.328 -0.814 -2.614 1.00 0.00 C ATOM 576 CE1 PHE A 34 87.411 0.232 -0.868 1.00 0.00 C ATOM 577 CE2 PHE A 34 89.705 -0.382 -1.339 1.00 0.00 C ATOM 578 CZ PHE A 34 88.747 0.142 -0.465 1.00 0.00 C ATOM 0 H PHE A 34 85.557 -2.397 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 34 87.176 -3.060 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 34 88.443 -1.080 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 34 86.797 -0.553 -4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 34 85.996 -0.137 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 34 90.071 -1.216 -3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 34 86.672 0.639 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 34 90.737 -0.453 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 34 89.039 0.477 0.520 1.00 0.00 H new ATOM 588 N GLN A 35 89.015 -4.144 -4.088 1.00 0.00 N ATOM 589 CA GLN A 35 89.946 -4.980 -3.276 1.00 0.00 C ATOM 590 C GLN A 35 91.388 -4.513 -3.478 1.00 0.00 C ATOM 591 O GLN A 35 91.823 -4.279 -4.590 1.00 0.00 O ATOM 592 CB GLN A 35 89.812 -6.444 -3.708 1.00 0.00 C ATOM 593 CG GLN A 35 91.027 -7.253 -3.235 1.00 0.00 C ATOM 594 CD GLN A 35 91.810 -7.782 -4.435 1.00 0.00 C ATOM 595 OE1 GLN A 35 91.248 -8.368 -5.346 1.00 0.00 O ATOM 596 NE2 GLN A 35 93.093 -7.603 -4.481 1.00 0.00 N ATOM 0 H GLN A 35 89.208 -4.129 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 35 89.691 -4.881 -2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 35 88.899 -6.870 -3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 35 89.727 -6.504 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 35 91.672 -6.627 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 35 90.699 -8.084 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 35 93.567 -7.114 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 35 93.628 -7.951 -5.276 1.00 0.00 H new ATOM 605 N ILE A 36 92.129 -4.412 -2.405 1.00 0.00 N ATOM 606 CA ILE A 36 93.571 -4.006 -2.496 1.00 0.00 C ATOM 607 C ILE A 36 94.410 -5.214 -2.016 1.00 0.00 C ATOM 608 O ILE A 36 93.911 -6.009 -1.238 1.00 0.00 O ATOM 609 CB ILE A 36 93.826 -2.798 -1.567 1.00 0.00 C ATOM 610 CG1 ILE A 36 93.023 -1.581 -2.025 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.309 -2.423 -1.561 1.00 0.00 C ATOM 612 CD1 ILE A 36 93.149 -0.489 -0.961 1.00 0.00 C ATOM 0 H ILE A 36 91.796 -4.595 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 36 93.837 -3.724 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 36 93.514 -3.088 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 36 93.395 -1.220 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 36 91.977 -1.850 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 95.466 -1.570 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.897 -3.270 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 36 95.622 -2.162 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 36 92.582 0.388 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 92.757 -0.858 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.198 -0.218 -0.840 1.00 0.00 H new ATOM 624 N PRO A 37 95.641 -5.343 -2.472 1.00 0.00 N ATOM 625 CA PRO A 37 96.512 -6.460 -2.047 1.00 0.00 C ATOM 626 C PRO A 37 97.197 -6.164 -0.690 1.00 0.00 C ATOM 627 O PRO A 37 97.354 -7.063 0.118 1.00 0.00 O ATOM 628 CB PRO A 37 97.502 -6.594 -3.190 1.00 0.00 C ATOM 629 CG PRO A 37 97.531 -5.219 -3.913 1.00 0.00 C ATOM 630 CD PRO A 37 96.266 -4.450 -3.470 1.00 0.00 C ATOM 0 HA PRO A 37 95.966 -7.387 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 98.492 -6.857 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 37 97.199 -7.386 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.432 -4.664 -3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.543 -5.352 -4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 96.518 -3.481 -3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 37 95.598 -4.260 -4.311 1.00 0.00 H new ATOM 638 N TRP A 38 97.560 -4.922 -0.414 1.00 0.00 N ATOM 639 CA TRP A 38 98.180 -4.564 0.920 1.00 0.00 C ATOM 640 C TRP A 38 99.614 -5.110 1.035 1.00 0.00 C ATOM 641 O TRP A 38 100.118 -5.767 0.142 1.00 0.00 O ATOM 642 CB TRP A 38 97.305 -5.138 2.047 1.00 0.00 C ATOM 643 CG TRP A 38 95.909 -4.679 1.807 1.00 0.00 C ATOM 644 CD1 TRP A 38 95.048 -5.238 0.943 1.00 0.00 C ATOM 645 CD2 TRP A 38 95.224 -3.549 2.387 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.869 -4.512 0.954 1.00 0.00 N ATOM 647 CE2 TRP A 38 93.933 -3.461 1.834 1.00 0.00 C ATOM 648 CE3 TRP A 38 95.602 -2.606 3.328 1.00 0.00 C ATOM 649 CZ2 TRP A 38 93.047 -2.458 2.210 1.00 0.00 C ATOM 650 CZ3 TRP A 38 94.732 -1.599 3.714 1.00 0.00 C ATOM 651 CH2 TRP A 38 93.451 -1.515 3.155 1.00 0.00 C ATOM 0 H TRP A 38 97.453 -4.138 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 38 98.232 -3.478 1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 38 97.355 -6.227 2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 38 97.659 -4.796 3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 38 95.243 -6.111 0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.055 -4.731 0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 38 96.588 -2.656 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.059 -2.410 1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 95.044 -0.874 4.451 1.00 0.00 H new ATOM 0 HH2 TRP A 38 92.779 -0.724 3.454 1.00 0.00 H new ATOM 662 N MET A 39 100.272 -4.849 2.145 1.00 0.00 N ATOM 663 CA MET A 39 101.673 -5.359 2.330 1.00 0.00 C ATOM 664 C MET A 39 101.639 -6.606 3.237 1.00 0.00 C ATOM 665 O MET A 39 102.429 -6.742 4.156 1.00 0.00 O ATOM 666 CB MET A 39 102.604 -4.275 2.952 1.00 0.00 C ATOM 667 CG MET A 39 101.849 -2.974 3.280 1.00 0.00 C ATOM 668 SD MET A 39 101.589 -2.824 5.074 1.00 0.00 S ATOM 669 CE MET A 39 101.423 -4.583 5.479 1.00 0.00 C ATOM 0 H MET A 39 99.902 -4.308 2.926 1.00 0.00 H new ATOM 0 HA MET A 39 102.078 -5.616 1.351 1.00 0.00 H new ATOM 0 HB2 MET A 39 103.058 -4.668 3.862 1.00 0.00 H new ATOM 0 HB3 MET A 39 103.416 -4.056 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 39 102.415 -2.116 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 39 100.888 -2.964 2.765 1.00 0.00 H new ATOM 0 HE1 MET A 39 101.064 -4.688 6.503 1.00 0.00 H new ATOM 0 HE2 MET A 39 100.712 -5.048 4.796 1.00 0.00 H new ATOM 0 HE3 MET A 39 102.392 -5.072 5.382 1.00 0.00 H new ATOM 679 N HIS A 40 100.731 -7.527 2.979 1.00 0.00 N ATOM 680 CA HIS A 40 100.647 -8.769 3.823 1.00 0.00 C ATOM 681 C HIS A 40 102.050 -9.363 4.026 1.00 0.00 C ATOM 682 O HIS A 40 102.334 -9.980 5.041 1.00 0.00 O ATOM 683 CB HIS A 40 99.752 -9.801 3.130 1.00 0.00 C ATOM 684 CG HIS A 40 98.450 -9.894 3.867 1.00 0.00 C ATOM 685 ND1 HIS A 40 98.228 -10.842 4.849 1.00 0.00 N ATOM 686 CD2 HIS A 40 97.296 -9.161 3.784 1.00 0.00 C ATOM 687 CE1 HIS A 40 96.980 -10.654 5.319 1.00 0.00 C ATOM 688 NE2 HIS A 40 96.368 -9.641 4.701 1.00 0.00 N ATOM 0 H HIS A 40 100.048 -7.472 2.224 1.00 0.00 H new ATOM 0 HA HIS A 40 100.224 -8.511 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 40 99.578 -9.512 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 40 100.244 -10.773 3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 40 97.132 -8.335 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 40 96.530 -11.249 6.100 1.00 0.00 H new ATOM 0 HE2 HIS A 40 95.423 -9.294 4.866 1.00 0.00 H new ATOM 696 N ALA A 41 102.924 -9.171 3.064 1.00 0.00 N ATOM 697 CA ALA A 41 104.317 -9.699 3.164 1.00 0.00 C ATOM 698 C ALA A 41 105.110 -8.922 4.228 1.00 0.00 C ATOM 699 O ALA A 41 105.497 -9.470 5.247 1.00 0.00 O ATOM 700 CB ALA A 41 105.000 -9.532 1.806 1.00 0.00 C ATOM 0 H ALA A 41 102.724 -8.663 2.203 1.00 0.00 H new ATOM 0 HA ALA A 41 104.285 -10.750 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 41 106.020 -9.913 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 41 104.446 -10.088 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 41 105.022 -8.476 1.537 1.00 0.00 H new ATOM 706 N ALA A 42 105.364 -7.654 3.998 1.00 0.00 N ATOM 707 CA ALA A 42 106.142 -6.848 4.990 1.00 0.00 C ATOM 708 C ALA A 42 105.191 -6.136 5.954 1.00 0.00 C ATOM 709 O ALA A 42 104.597 -5.121 5.638 1.00 0.00 O ATOM 710 CB ALA A 42 107.005 -5.817 4.262 1.00 0.00 C ATOM 0 H ALA A 42 105.066 -7.144 3.166 1.00 0.00 H new ATOM 0 HA ALA A 42 106.786 -7.519 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 42 107.568 -5.234 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.697 -6.329 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 42 106.365 -5.152 3.682 1.00 0.00 H new ATOM 716 N ARG A 43 105.056 -6.668 7.141 1.00 0.00 N ATOM 717 CA ARG A 43 104.158 -6.045 8.159 1.00 0.00 C ATOM 718 C ARG A 43 104.776 -4.744 8.711 1.00 0.00 C ATOM 719 O ARG A 43 104.136 -4.027 9.471 1.00 0.00 O ATOM 720 CB ARG A 43 103.934 -7.044 9.297 1.00 0.00 C ATOM 721 CG ARG A 43 103.140 -8.244 8.768 1.00 0.00 C ATOM 722 CD ARG A 43 103.910 -9.535 9.050 1.00 0.00 C ATOM 723 NE ARG A 43 103.962 -10.373 7.811 1.00 0.00 N ATOM 724 CZ ARG A 43 104.835 -11.332 7.707 1.00 0.00 C ATOM 725 NH1 ARG A 43 104.848 -12.295 8.571 1.00 0.00 N ATOM 726 NH2 ARG A 43 105.689 -11.325 6.737 1.00 0.00 N ATOM 0 H ARG A 43 105.533 -7.514 7.451 1.00 0.00 H new ATOM 0 HA ARG A 43 103.206 -5.793 7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 43 104.891 -7.375 9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 103.393 -6.567 10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 43 102.160 -8.282 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 43 102.970 -8.137 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 43 104.921 -9.301 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 43 103.427 -10.089 9.855 1.00 0.00 H new ATOM 0 HE ARG A 43 103.312 -10.192 7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 43 104.173 -12.303 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 43 105.533 -13.046 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 43 105.678 -10.568 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 43 106.374 -12.077 6.655 1.00 0.00 H new ATOM 740 N HIS A 44 106.003 -4.425 8.337 1.00 0.00 N ATOM 741 CA HIS A 44 106.648 -3.171 8.836 1.00 0.00 C ATOM 742 C HIS A 44 107.194 -2.342 7.657 1.00 0.00 C ATOM 743 O HIS A 44 106.569 -1.385 7.236 1.00 0.00 O ATOM 744 CB HIS A 44 107.777 -3.526 9.802 1.00 0.00 C ATOM 745 CG HIS A 44 107.320 -3.248 11.203 1.00 0.00 C ATOM 746 ND1 HIS A 44 107.982 -2.371 12.046 1.00 0.00 N ATOM 747 CD2 HIS A 44 106.254 -3.724 11.916 1.00 0.00 C ATOM 748 CE1 HIS A 44 107.310 -2.350 13.213 1.00 0.00 C ATOM 749 NE2 HIS A 44 106.247 -3.159 13.186 1.00 0.00 N ATOM 0 H HIS A 44 106.579 -4.984 7.708 1.00 0.00 H new ATOM 0 HA HIS A 44 105.903 -2.572 9.360 1.00 0.00 H new ATOM 0 HB2 HIS A 44 108.049 -4.576 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 44 108.668 -2.941 9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 44 105.527 -4.432 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 44 107.595 -1.752 14.066 1.00 0.00 H new ATOM 0 HE2 HIS A 44 105.575 -3.326 13.935 1.00 0.00 H new ATOM 757 N GLY A 45 108.352 -2.690 7.126 1.00 0.00 N ATOM 758 CA GLY A 45 108.922 -1.900 5.981 1.00 0.00 C ATOM 759 C GLY A 45 110.039 -2.673 5.255 1.00 0.00 C ATOM 760 O GLY A 45 111.207 -2.364 5.393 1.00 0.00 O ATOM 0 H GLY A 45 108.920 -3.479 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 45 108.128 -1.659 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 45 109.316 -0.954 6.352 1.00 0.00 H new ATOM 764 N TRP A 46 109.670 -3.643 4.452 1.00 0.00 N ATOM 765 CA TRP A 46 110.676 -4.435 3.652 1.00 0.00 C ATOM 766 C TRP A 46 109.992 -4.889 2.353 1.00 0.00 C ATOM 767 O TRP A 46 109.985 -4.176 1.366 1.00 0.00 O ATOM 768 CB TRP A 46 111.194 -5.670 4.427 1.00 0.00 C ATOM 769 CG TRP A 46 110.489 -5.834 5.734 1.00 0.00 C ATOM 770 CD1 TRP A 46 109.345 -6.520 5.937 1.00 0.00 C ATOM 771 CD2 TRP A 46 110.893 -5.324 7.023 1.00 0.00 C ATOM 772 NE1 TRP A 46 109.010 -6.438 7.276 1.00 0.00 N ATOM 773 CE2 TRP A 46 109.949 -5.719 7.990 1.00 0.00 C ATOM 774 CE3 TRP A 46 111.985 -4.557 7.429 1.00 0.00 C ATOM 775 CZ2 TRP A 46 110.091 -5.363 9.329 1.00 0.00 C ATOM 776 CZ3 TRP A 46 112.140 -4.192 8.775 1.00 0.00 C ATOM 777 CH2 TRP A 46 111.193 -4.598 9.726 1.00 0.00 C ATOM 0 H TRP A 46 108.701 -3.928 4.311 1.00 0.00 H new ATOM 0 HA TRP A 46 111.539 -3.802 3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 46 111.053 -6.566 3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 46 112.265 -5.568 4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 46 108.784 -7.046 5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 46 108.174 -6.856 7.685 1.00 0.00 H new ATOM 0 HE3 TRP A 46 112.718 -4.241 6.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 109.356 -5.675 10.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 112.989 -3.598 9.079 1.00 0.00 H new ATOM 0 HH2 TRP A 46 111.314 -4.321 10.763 1.00 0.00 H new ATOM 788 N ASP A 47 109.368 -6.046 2.368 1.00 0.00 N ATOM 789 CA ASP A 47 108.624 -6.549 1.171 1.00 0.00 C ATOM 790 C ASP A 47 107.280 -5.785 1.107 1.00 0.00 C ATOM 791 O ASP A 47 106.204 -6.373 1.079 1.00 0.00 O ATOM 792 CB ASP A 47 108.381 -8.059 1.368 1.00 0.00 C ATOM 793 CG ASP A 47 108.726 -8.830 0.093 1.00 0.00 C ATOM 794 OD1 ASP A 47 109.890 -9.133 -0.095 1.00 0.00 O ATOM 795 OD2 ASP A 47 107.812 -9.112 -0.670 1.00 0.00 O ATOM 0 H ASP A 47 109.344 -6.671 3.174 1.00 0.00 H new ATOM 0 HA ASP A 47 109.177 -6.393 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 47 108.987 -8.425 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 47 107.339 -8.234 1.634 1.00 0.00 H new ATOM 800 N VAL A 48 107.347 -4.471 1.133 1.00 0.00 N ATOM 801 CA VAL A 48 106.118 -3.615 1.132 1.00 0.00 C ATOM 802 C VAL A 48 106.104 -2.676 -0.093 1.00 0.00 C ATOM 803 O VAL A 48 105.710 -1.527 -0.011 1.00 0.00 O ATOM 804 CB VAL A 48 106.144 -2.801 2.438 1.00 0.00 C ATOM 805 CG1 VAL A 48 107.335 -1.835 2.429 1.00 0.00 C ATOM 806 CG2 VAL A 48 104.848 -2.004 2.599 1.00 0.00 C ATOM 0 H VAL A 48 108.222 -3.948 1.155 1.00 0.00 H new ATOM 0 HA VAL A 48 105.219 -4.229 1.072 1.00 0.00 H new ATOM 0 HB VAL A 48 106.241 -3.494 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 48 107.346 -1.263 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.262 -2.401 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 48 107.244 -1.153 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 48 104.884 -1.435 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 48 104.735 -1.320 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.001 -2.689 2.626 1.00 0.00 H new ATOM 816 N GLU A 49 106.524 -3.164 -1.227 1.00 0.00 N ATOM 817 CA GLU A 49 106.539 -2.314 -2.463 1.00 0.00 C ATOM 818 C GLU A 49 105.242 -2.501 -3.270 1.00 0.00 C ATOM 819 O GLU A 49 104.937 -1.712 -4.147 1.00 0.00 O ATOM 820 CB GLU A 49 107.748 -2.695 -3.328 1.00 0.00 C ATOM 821 CG GLU A 49 107.566 -4.100 -3.926 1.00 0.00 C ATOM 822 CD GLU A 49 108.117 -5.158 -2.968 1.00 0.00 C ATOM 823 OE1 GLU A 49 107.372 -5.580 -2.090 1.00 0.00 O ATOM 824 OE2 GLU A 49 109.265 -5.531 -3.126 1.00 0.00 O ATOM 0 H GLU A 49 106.860 -4.118 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 49 106.612 -1.267 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 107.872 -1.966 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 49 108.656 -2.665 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 106.509 -4.287 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.080 -4.164 -4.885 1.00 0.00 H new ATOM 831 N LYS A 50 104.485 -3.537 -2.982 1.00 0.00 N ATOM 832 CA LYS A 50 103.207 -3.792 -3.727 1.00 0.00 C ATOM 833 C LYS A 50 102.266 -2.589 -3.612 1.00 0.00 C ATOM 834 O LYS A 50 101.732 -2.112 -4.597 1.00 0.00 O ATOM 835 CB LYS A 50 102.503 -5.019 -3.138 1.00 0.00 C ATOM 836 CG LYS A 50 103.418 -6.246 -3.224 1.00 0.00 C ATOM 837 CD LYS A 50 103.810 -6.702 -1.814 1.00 0.00 C ATOM 838 CE LYS A 50 104.841 -7.830 -1.907 1.00 0.00 C ATOM 839 NZ LYS A 50 106.060 -7.448 -1.141 1.00 0.00 N ATOM 0 H LYS A 50 104.700 -4.222 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 50 103.451 -3.962 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 50 102.234 -4.829 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 50 101.575 -5.209 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 50 102.909 -7.054 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 104.312 -6.005 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 104.222 -5.864 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.928 -7.046 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 50 104.422 -8.754 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 50 105.097 -8.019 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 106.650 -8.290 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 106.600 -6.741 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 105.781 -7.046 -0.223 1.00 0.00 H new ATOM 853 N ASP A 51 102.054 -2.109 -2.414 1.00 0.00 N ATOM 854 CA ASP A 51 101.133 -0.942 -2.220 1.00 0.00 C ATOM 855 C ASP A 51 101.907 0.285 -1.697 1.00 0.00 C ATOM 856 O ASP A 51 101.318 1.280 -1.299 1.00 0.00 O ATOM 857 CB ASP A 51 100.031 -1.326 -1.226 1.00 0.00 C ATOM 858 CG ASP A 51 98.816 -1.853 -1.989 1.00 0.00 C ATOM 859 OD1 ASP A 51 98.025 -1.043 -2.439 1.00 0.00 O ATOM 860 OD2 ASP A 51 98.700 -3.058 -2.109 1.00 0.00 O ATOM 0 H ASP A 51 102.477 -2.472 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 51 100.688 -0.681 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 51 100.398 -2.086 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 51 99.750 -0.460 -0.627 1.00 0.00 H new ATOM 865 N ALA A 52 103.223 0.228 -1.716 1.00 0.00 N ATOM 866 CA ALA A 52 104.050 1.378 -1.242 1.00 0.00 C ATOM 867 C ALA A 52 103.776 2.666 -2.051 1.00 0.00 C ATOM 868 O ALA A 52 103.810 3.735 -1.468 1.00 0.00 O ATOM 869 CB ALA A 52 105.529 1.017 -1.340 1.00 0.00 C ATOM 0 H ALA A 52 103.758 -0.576 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 52 103.777 1.576 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 52 106.132 1.856 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 52 105.732 0.144 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 105.781 0.792 -2.376 1.00 0.00 H new ATOM 875 N PRO A 53 103.487 2.570 -3.351 1.00 0.00 N ATOM 876 CA PRO A 53 103.195 3.778 -4.155 1.00 0.00 C ATOM 877 C PRO A 53 101.938 4.456 -3.607 1.00 0.00 C ATOM 878 O PRO A 53 101.842 5.669 -3.567 1.00 0.00 O ATOM 879 CB PRO A 53 103.046 3.248 -5.587 1.00 0.00 C ATOM 880 CG PRO A 53 102.760 1.741 -5.459 1.00 0.00 C ATOM 881 CD PRO A 53 103.382 1.305 -4.121 1.00 0.00 C ATOM 0 HA PRO A 53 103.967 4.547 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.234 3.756 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 53 103.954 3.424 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.688 1.544 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 53 103.197 1.189 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 53 102.756 0.575 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 53 104.358 0.842 -4.265 1.00 0.00 H new ATOM 889 N LEU A 54 101.009 3.677 -3.112 1.00 0.00 N ATOM 890 CA LEU A 54 99.789 4.257 -2.480 1.00 0.00 C ATOM 891 C LEU A 54 100.177 4.663 -1.071 1.00 0.00 C ATOM 892 O LEU A 54 100.245 5.827 -0.726 1.00 0.00 O ATOM 893 CB LEU A 54 98.716 3.184 -2.342 1.00 0.00 C ATOM 894 CG LEU A 54 97.898 3.057 -3.600 1.00 0.00 C ATOM 895 CD1 LEU A 54 98.790 2.575 -4.737 1.00 0.00 C ATOM 896 CD2 LEU A 54 96.818 2.034 -3.316 1.00 0.00 C ATOM 0 H LEU A 54 101.046 2.658 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 54 99.417 5.088 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 54 99.184 2.227 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.062 3.427 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 54 97.461 4.012 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 54 98.200 2.482 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 54 99.595 3.292 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 54 99.215 1.605 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 54 96.196 1.906 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 97.279 1.081 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 54 96.201 2.377 -2.486 1.00 0.00 H new ATOM 908 N PHE A 55 100.452 3.658 -0.283 1.00 0.00 N ATOM 909 CA PHE A 55 100.877 3.816 1.128 1.00 0.00 C ATOM 910 C PHE A 55 101.794 5.047 1.280 1.00 0.00 C ATOM 911 O PHE A 55 101.616 5.848 2.171 1.00 0.00 O ATOM 912 CB PHE A 55 101.682 2.559 1.449 1.00 0.00 C ATOM 913 CG PHE A 55 100.918 1.586 2.306 1.00 0.00 C ATOM 914 CD1 PHE A 55 100.837 1.768 3.686 1.00 0.00 C ATOM 915 CD2 PHE A 55 100.321 0.474 1.709 1.00 0.00 C ATOM 916 CE1 PHE A 55 100.150 0.835 4.471 1.00 0.00 C ATOM 917 CE2 PHE A 55 99.638 -0.460 2.490 1.00 0.00 C ATOM 918 CZ PHE A 55 99.550 -0.280 3.874 1.00 0.00 C ATOM 0 H PHE A 55 100.394 2.685 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 55 100.020 3.951 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 55 101.971 2.069 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 55 102.603 2.842 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 55 101.303 2.626 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 55 100.388 0.336 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 55 100.083 0.976 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 55 99.178 -1.320 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 55 99.020 -0.999 4.481 1.00 0.00 H new ATOM 928 N ARG A 56 102.780 5.188 0.414 1.00 0.00 N ATOM 929 CA ARG A 56 103.719 6.357 0.495 1.00 0.00 C ATOM 930 C ARG A 56 102.970 7.652 0.137 1.00 0.00 C ATOM 931 O ARG A 56 103.115 8.667 0.807 1.00 0.00 O ATOM 932 CB ARG A 56 104.879 6.142 -0.485 1.00 0.00 C ATOM 933 CG ARG A 56 105.950 7.221 -0.276 1.00 0.00 C ATOM 934 CD ARG A 56 105.981 8.162 -1.488 1.00 0.00 C ATOM 935 NE ARG A 56 105.248 9.423 -1.165 1.00 0.00 N ATOM 936 CZ ARG A 56 105.667 10.189 -0.209 1.00 0.00 C ATOM 937 NH1 ARG A 56 106.710 10.930 -0.391 1.00 0.00 N ATOM 938 NH2 ARG A 56 105.037 10.209 0.921 1.00 0.00 N ATOM 0 H ARG A 56 102.973 4.538 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 56 104.109 6.441 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.313 5.153 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 56 104.511 6.177 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 105.737 7.787 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.926 6.756 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 56 107.012 8.389 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 56 105.525 7.675 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 56 104.417 9.681 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 56 107.200 10.910 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 56 107.043 11.535 0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.213 9.623 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 56 105.364 10.811 1.677 1.00 0.00 H new ATOM 952 N ASN A 57 102.167 7.618 -0.907 1.00 0.00 N ATOM 953 CA ASN A 57 101.381 8.825 -1.325 1.00 0.00 C ATOM 954 C ASN A 57 100.506 9.314 -0.147 1.00 0.00 C ATOM 955 O ASN A 57 100.227 10.493 -0.030 1.00 0.00 O ATOM 956 CB ASN A 57 100.542 8.461 -2.566 1.00 0.00 C ATOM 957 CG ASN A 57 99.051 8.575 -2.282 1.00 0.00 C ATOM 958 OD1 ASN A 57 98.455 9.598 -2.513 1.00 0.00 O ATOM 959 ND2 ASN A 57 98.423 7.553 -1.799 1.00 0.00 N ATOM 0 H ASN A 57 102.023 6.795 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 57 102.045 9.647 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 57 100.808 9.120 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 57 100.777 7.444 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.422 7.611 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.929 6.689 -1.604 1.00 0.00 H new ATOM 966 N TRP A 58 100.097 8.414 0.733 1.00 0.00 N ATOM 967 CA TRP A 58 99.257 8.800 1.929 1.00 0.00 C ATOM 968 C TRP A 58 99.804 10.075 2.581 1.00 0.00 C ATOM 969 O TRP A 58 99.069 11.000 2.884 1.00 0.00 O ATOM 970 CB TRP A 58 99.332 7.693 2.984 1.00 0.00 C ATOM 971 CG TRP A 58 98.094 6.866 2.984 1.00 0.00 C ATOM 972 CD1 TRP A 58 97.350 6.601 4.073 1.00 0.00 C ATOM 973 CD2 TRP A 58 97.456 6.179 1.879 1.00 0.00 C ATOM 974 NE1 TRP A 58 96.292 5.797 3.705 1.00 0.00 N ATOM 975 CE2 TRP A 58 96.321 5.508 2.363 1.00 0.00 C ATOM 976 CE3 TRP A 58 97.750 6.075 0.520 1.00 0.00 C ATOM 977 CZ2 TRP A 58 95.512 4.759 1.530 1.00 0.00 C ATOM 978 CZ3 TRP A 58 96.934 5.321 -0.334 1.00 0.00 C ATOM 979 CH2 TRP A 58 95.814 4.660 0.174 1.00 0.00 C ATOM 0 H TRP A 58 100.312 7.419 0.672 1.00 0.00 H new ATOM 0 HA TRP A 58 98.234 8.956 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 58 100.197 7.059 2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 58 99.477 8.135 3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 58 97.549 6.959 5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 58 95.577 5.459 4.349 1.00 0.00 H new ATOM 0 HE3 TRP A 58 98.616 6.581 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 94.647 4.251 1.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 97.171 5.251 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.185 4.075 -0.481 1.00 0.00 H new ATOM 990 N ALA A 59 101.090 10.101 2.829 1.00 0.00 N ATOM 991 CA ALA A 59 101.732 11.277 3.492 1.00 0.00 C ATOM 992 C ALA A 59 101.442 12.571 2.718 1.00 0.00 C ATOM 993 O ALA A 59 101.165 13.602 3.307 1.00 0.00 O ATOM 994 CB ALA A 59 103.241 11.043 3.547 1.00 0.00 C ATOM 0 H ALA A 59 101.732 9.344 2.596 1.00 0.00 H new ATOM 0 HA ALA A 59 101.325 11.384 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 59 103.724 11.893 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 59 103.448 10.137 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 59 103.629 10.931 2.535 1.00 0.00 H new ATOM 1000 N ILE A 60 101.515 12.522 1.410 1.00 0.00 N ATOM 1001 CA ILE A 60 101.257 13.747 0.585 1.00 0.00 C ATOM 1002 C ILE A 60 99.755 13.874 0.289 1.00 0.00 C ATOM 1003 O ILE A 60 99.192 14.952 0.361 1.00 0.00 O ATOM 1004 CB ILE A 60 102.022 13.652 -0.747 1.00 0.00 C ATOM 1005 CG1 ILE A 60 103.424 13.050 -0.536 1.00 0.00 C ATOM 1006 CG2 ILE A 60 102.160 15.051 -1.352 1.00 0.00 C ATOM 1007 CD1 ILE A 60 104.257 13.945 0.388 1.00 0.00 C ATOM 0 H ILE A 60 101.743 11.684 0.875 1.00 0.00 H new ATOM 0 HA ILE A 60 101.596 14.620 1.142 1.00 0.00 H new ATOM 0 HB ILE A 60 101.463 13.003 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 60 103.337 12.053 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 60 103.927 12.940 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 60 102.702 14.987 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 60 101.170 15.470 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 102.707 15.693 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 60 105.245 13.505 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 60 104.359 14.934 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 60 103.760 14.033 1.354 1.00 0.00 H new ATOM 1019 N HIS A 61 99.108 12.785 -0.055 1.00 0.00 N ATOM 1020 CA HIS A 61 97.645 12.832 -0.374 1.00 0.00 C ATOM 1021 C HIS A 61 96.832 13.172 0.884 1.00 0.00 C ATOM 1022 O HIS A 61 95.922 13.979 0.834 1.00 0.00 O ATOM 1023 CB HIS A 61 97.212 11.468 -0.933 1.00 0.00 C ATOM 1024 CG HIS A 61 95.727 11.289 -0.793 1.00 0.00 C ATOM 1025 ND1 HIS A 61 94.824 12.124 -1.427 1.00 0.00 N ATOM 1026 CD2 HIS A 61 94.975 10.377 -0.097 1.00 0.00 C ATOM 1027 CE1 HIS A 61 93.588 11.702 -1.104 1.00 0.00 C ATOM 1028 NE2 HIS A 61 93.623 10.640 -0.293 1.00 0.00 N ATOM 0 H HIS A 61 99.533 11.861 -0.129 1.00 0.00 H new ATOM 0 HA HIS A 61 97.461 13.608 -1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 61 97.496 11.392 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.732 10.670 -0.403 1.00 0.00 H new ATOM 0 HD1 HIS A 61 95.053 12.915 -2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.372 9.577 0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 61 92.678 12.165 -1.457 1.00 0.00 H new ATOM 1036 N THR A 62 97.144 12.570 2.008 1.00 0.00 N ATOM 1037 CA THR A 62 96.366 12.875 3.253 1.00 0.00 C ATOM 1038 C THR A 62 96.951 14.112 3.969 1.00 0.00 C ATOM 1039 O THR A 62 96.585 14.412 5.090 1.00 0.00 O ATOM 1040 CB THR A 62 96.362 11.657 4.202 1.00 0.00 C ATOM 1041 OG1 THR A 62 97.645 11.484 4.801 1.00 0.00 O ATOM 1042 CG2 THR A 62 95.996 10.387 3.426 1.00 0.00 C ATOM 0 H THR A 62 97.895 11.888 2.118 1.00 0.00 H new ATOM 0 HA THR A 62 95.337 13.095 2.968 1.00 0.00 H new ATOM 0 HB THR A 62 95.623 11.836 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 62 98.225 10.982 4.192 1.00 0.00 H new ATOM 0 HG21 THR A 62 95.996 9.534 4.104 1.00 0.00 H new ATOM 0 HG22 THR A 62 95.005 10.502 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 62 96.727 10.221 2.634 1.00 0.00 H new ATOM 1050 N GLY A 63 97.838 14.844 3.314 1.00 0.00 N ATOM 1051 CA GLY A 63 98.436 16.079 3.928 1.00 0.00 C ATOM 1052 C GLY A 63 99.043 15.771 5.297 1.00 0.00 C ATOM 1053 O GLY A 63 98.607 16.296 6.304 1.00 0.00 O ATOM 0 H GLY A 63 98.172 14.633 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 63 99.204 16.482 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 63 97.669 16.847 4.031 1.00 0.00 H new ATOM 1057 N LYS A 64 100.043 14.927 5.344 1.00 0.00 N ATOM 1058 CA LYS A 64 100.680 14.584 6.654 1.00 0.00 C ATOM 1059 C LYS A 64 102.197 14.830 6.616 1.00 0.00 C ATOM 1060 O LYS A 64 102.775 15.291 7.583 1.00 0.00 O ATOM 1061 CB LYS A 64 100.405 13.116 6.980 1.00 0.00 C ATOM 1062 CG LYS A 64 99.830 13.039 8.391 1.00 0.00 C ATOM 1063 CD LYS A 64 98.945 11.802 8.523 1.00 0.00 C ATOM 1064 CE LYS A 64 97.580 12.078 7.893 1.00 0.00 C ATOM 1065 NZ LYS A 64 97.177 10.900 7.076 1.00 0.00 N ATOM 0 H LYS A 64 100.447 14.460 4.532 1.00 0.00 H new ATOM 0 HA LYS A 64 100.252 15.225 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 64 99.704 12.692 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 64 101.324 12.533 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 64 100.638 12.998 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 64 99.250 13.937 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 64 99.417 10.951 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 64 98.825 11.539 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 64 96.839 12.270 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 64 97.627 12.971 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 96.145 10.782 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 97.465 11.048 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 97.640 10.046 7.447 1.00 0.00 H new ATOM 1079 N HIS A 65 102.847 14.522 5.517 1.00 0.00 N ATOM 1080 CA HIS A 65 104.328 14.742 5.431 1.00 0.00 C ATOM 1081 C HIS A 65 104.656 15.607 4.205 1.00 0.00 C ATOM 1082 O HIS A 65 104.016 15.516 3.171 1.00 0.00 O ATOM 1083 CB HIS A 65 105.048 13.384 5.324 1.00 0.00 C ATOM 1084 CG HIS A 65 106.376 13.563 4.630 1.00 0.00 C ATOM 1085 ND1 HIS A 65 107.555 13.781 5.324 1.00 0.00 N ATOM 1086 CD2 HIS A 65 106.712 13.602 3.300 1.00 0.00 C ATOM 1087 CE1 HIS A 65 108.535 13.946 4.414 1.00 0.00 C ATOM 1088 NE2 HIS A 65 108.074 13.843 3.166 1.00 0.00 N ATOM 0 H HIS A 65 102.418 14.129 4.679 1.00 0.00 H new ATOM 0 HA HIS A 65 104.668 15.257 6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 65 105.200 12.964 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 65 104.430 12.677 4.770 1.00 0.00 H new ATOM 0 HD1 HIS A 65 107.662 13.811 6.338 1.00 0.00 H new ATOM 0 HD2 HIS A 65 106.022 13.466 2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 65 109.568 14.138 4.664 1.00 0.00 H new ATOM 1096 N GLN A 66 105.668 16.430 4.316 1.00 0.00 N ATOM 1097 CA GLN A 66 106.075 17.299 3.173 1.00 0.00 C ATOM 1098 C GLN A 66 107.548 17.030 2.811 1.00 0.00 C ATOM 1099 O GLN A 66 108.410 17.055 3.676 1.00 0.00 O ATOM 1100 CB GLN A 66 105.902 18.765 3.569 1.00 0.00 C ATOM 1101 CG GLN A 66 104.503 19.237 3.165 1.00 0.00 C ATOM 1102 CD GLN A 66 104.622 20.389 2.169 1.00 0.00 C ATOM 1103 OE1 GLN A 66 105.006 21.560 2.587 1.00 0.00 O flip ATOM 1104 NE2 GLN A 66 104.366 20.221 0.997 1.00 0.00 N flip ATOM 0 H GLN A 66 106.234 16.537 5.158 1.00 0.00 H new ATOM 0 HA GLN A 66 105.450 17.077 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 66 106.041 18.882 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 66 106.660 19.377 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 66 103.944 18.414 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 66 103.948 19.560 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 66 104.065 19.304 0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 66 104.452 20.997 0.340 1.00 0.00 H new ATOM 1113 N PRO A 67 107.792 16.788 1.538 1.00 0.00 N ATOM 1114 CA PRO A 67 109.152 16.509 1.023 1.00 0.00 C ATOM 1115 C PRO A 67 109.987 17.801 0.979 1.00 0.00 C ATOM 1116 O PRO A 67 109.748 18.686 0.174 1.00 0.00 O ATOM 1117 CB PRO A 67 108.897 15.950 -0.383 1.00 0.00 C ATOM 1118 CG PRO A 67 107.499 16.455 -0.805 1.00 0.00 C ATOM 1119 CD PRO A 67 106.740 16.784 0.495 1.00 0.00 C ATOM 0 HA PRO A 67 109.718 15.816 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 67 109.661 16.292 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 67 108.932 14.861 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 67 107.581 17.337 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 67 106.970 15.696 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 67 106.239 17.750 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 67 105.972 16.040 0.707 1.00 0.00 H new ATOM 1127 N GLY A 68 110.959 17.911 1.853 1.00 0.00 N ATOM 1128 CA GLY A 68 111.818 19.138 1.900 1.00 0.00 C ATOM 1129 C GLY A 68 111.608 19.882 3.227 1.00 0.00 C ATOM 1130 O GLY A 68 112.371 20.765 3.571 1.00 0.00 O ATOM 0 H GLY A 68 111.196 17.197 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 68 112.867 18.861 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 68 111.574 19.794 1.064 1.00 0.00 H new ATOM 1134 N ILE A 69 110.577 19.537 3.970 1.00 0.00 N ATOM 1135 CA ILE A 69 110.315 20.232 5.271 1.00 0.00 C ATOM 1136 C ILE A 69 110.324 19.222 6.429 1.00 0.00 C ATOM 1137 O ILE A 69 110.982 19.435 7.432 1.00 0.00 O ATOM 1138 CB ILE A 69 108.952 20.934 5.199 1.00 0.00 C ATOM 1139 CG1 ILE A 69 109.048 22.127 4.247 1.00 0.00 C ATOM 1140 CG2 ILE A 69 108.548 21.436 6.587 1.00 0.00 C ATOM 1141 CD1 ILE A 69 108.251 21.832 2.977 1.00 0.00 C ATOM 0 H ILE A 69 109.909 18.805 3.730 1.00 0.00 H new ATOM 0 HA ILE A 69 111.099 20.968 5.450 1.00 0.00 H new ATOM 0 HB ILE A 69 108.205 20.226 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 69 108.662 23.024 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 69 110.091 22.323 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 69 107.580 21.933 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 108.481 20.592 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 69 109.295 22.141 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 108.320 22.682 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 69 108.658 20.946 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 69 107.207 21.657 3.235 1.00 0.00 H new ATOM 1153 N ASP A 70 109.596 18.136 6.314 1.00 0.00 N ATOM 1154 CA ASP A 70 109.567 17.138 7.429 1.00 0.00 C ATOM 1155 C ASP A 70 110.245 15.820 7.008 1.00 0.00 C ATOM 1156 O ASP A 70 110.759 15.685 5.909 1.00 0.00 O ATOM 1157 CB ASP A 70 108.112 16.870 7.836 1.00 0.00 C ATOM 1158 CG ASP A 70 108.010 16.768 9.362 1.00 0.00 C ATOM 1159 OD1 ASP A 70 108.838 16.086 9.956 1.00 0.00 O ATOM 1160 OD2 ASP A 70 107.110 17.369 9.915 1.00 0.00 O ATOM 0 H ASP A 70 109.025 17.899 5.503 1.00 0.00 H new ATOM 0 HA ASP A 70 110.117 17.547 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 107.469 17.672 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 107.760 15.946 7.376 1.00 0.00 H new ATOM 1165 N LYS A 71 110.253 14.851 7.892 1.00 0.00 N ATOM 1166 CA LYS A 71 110.898 13.535 7.590 1.00 0.00 C ATOM 1167 C LYS A 71 109.887 12.578 6.936 1.00 0.00 C ATOM 1168 O LYS A 71 108.784 12.407 7.430 1.00 0.00 O ATOM 1169 CB LYS A 71 111.412 12.911 8.895 1.00 0.00 C ATOM 1170 CG LYS A 71 112.259 13.936 9.659 1.00 0.00 C ATOM 1171 CD LYS A 71 111.510 14.391 10.918 1.00 0.00 C ATOM 1172 CE LYS A 71 111.823 15.864 11.202 1.00 0.00 C ATOM 1173 NZ LYS A 71 110.573 16.559 11.631 1.00 0.00 N ATOM 0 H LYS A 71 109.835 14.917 8.820 1.00 0.00 H new ATOM 0 HA LYS A 71 111.726 13.699 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 71 110.572 12.588 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 71 112.007 12.024 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 71 113.218 13.497 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 112.472 14.794 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 71 110.437 14.257 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 71 111.803 13.776 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 71 112.582 15.943 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 71 112.230 16.340 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 110.806 17.514 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 109.920 16.627 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 110.122 16.020 12.398 1.00 0.00 H new ATOM 1187 N PRO A 72 110.299 11.971 5.843 1.00 0.00 N ATOM 1188 CA PRO A 72 109.461 11.010 5.100 1.00 0.00 C ATOM 1189 C PRO A 72 109.464 9.642 5.809 1.00 0.00 C ATOM 1190 O PRO A 72 110.084 8.697 5.353 1.00 0.00 O ATOM 1191 CB PRO A 72 110.139 10.935 3.725 1.00 0.00 C ATOM 1192 CG PRO A 72 111.604 11.385 3.935 1.00 0.00 C ATOM 1193 CD PRO A 72 111.635 12.196 5.242 1.00 0.00 C ATOM 0 HA PRO A 72 108.414 11.305 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 72 110.097 9.921 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 72 109.634 11.581 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.268 10.523 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.947 11.990 3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 72 112.431 11.855 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 72 111.812 13.254 5.050 1.00 0.00 H new ATOM 1201 N ASP A 73 108.783 9.542 6.928 1.00 0.00 N ATOM 1202 CA ASP A 73 108.743 8.253 7.692 1.00 0.00 C ATOM 1203 C ASP A 73 107.613 7.351 7.152 1.00 0.00 C ATOM 1204 O ASP A 73 106.446 7.622 7.371 1.00 0.00 O ATOM 1205 CB ASP A 73 108.502 8.562 9.182 1.00 0.00 C ATOM 1206 CG ASP A 73 108.285 7.261 9.956 1.00 0.00 C ATOM 1207 OD1 ASP A 73 109.255 6.551 10.167 1.00 0.00 O ATOM 1208 OD2 ASP A 73 107.152 6.992 10.323 1.00 0.00 O ATOM 0 H ASP A 73 108.250 10.304 7.347 1.00 0.00 H new ATOM 0 HA ASP A 73 109.691 7.729 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 73 109.355 9.102 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 73 107.632 9.210 9.292 1.00 0.00 H new ATOM 1213 N PRO A 74 107.995 6.286 6.475 1.00 0.00 N ATOM 1214 CA PRO A 74 107.028 5.325 5.906 1.00 0.00 C ATOM 1215 C PRO A 74 106.440 4.429 7.008 1.00 0.00 C ATOM 1216 O PRO A 74 105.351 3.898 6.864 1.00 0.00 O ATOM 1217 CB PRO A 74 107.866 4.514 4.913 1.00 0.00 C ATOM 1218 CG PRO A 74 109.337 4.653 5.370 1.00 0.00 C ATOM 1219 CD PRO A 74 109.414 5.936 6.218 1.00 0.00 C ATOM 0 HA PRO A 74 106.173 5.807 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 74 107.558 3.468 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 74 107.737 4.890 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 74 109.646 3.785 5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 74 110.005 4.715 4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 74 109.958 5.767 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 74 109.932 6.735 5.687 1.00 0.00 H new ATOM 1227 N LYS A 75 107.145 4.269 8.109 1.00 0.00 N ATOM 1228 CA LYS A 75 106.630 3.420 9.233 1.00 0.00 C ATOM 1229 C LYS A 75 105.235 3.908 9.639 1.00 0.00 C ATOM 1230 O LYS A 75 104.289 3.142 9.700 1.00 0.00 O ATOM 1231 CB LYS A 75 107.571 3.536 10.438 1.00 0.00 C ATOM 1232 CG LYS A 75 109.000 3.172 10.026 1.00 0.00 C ATOM 1233 CD LYS A 75 109.804 2.782 11.272 1.00 0.00 C ATOM 1234 CE LYS A 75 110.080 4.022 12.128 1.00 0.00 C ATOM 1235 NZ LYS A 75 110.803 5.045 11.316 1.00 0.00 N ATOM 0 H LYS A 75 108.058 4.693 8.276 1.00 0.00 H new ATOM 0 HA LYS A 75 106.579 2.381 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 107.546 4.552 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 75 107.235 2.875 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 108.986 2.346 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 75 109.472 4.017 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 75 109.252 2.044 11.854 1.00 0.00 H new ATOM 0 HD3 LYS A 75 110.745 2.317 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 75 109.142 4.435 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 75 110.675 3.749 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 111.600 5.425 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 111.162 4.606 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 110.152 5.818 11.072 1.00 0.00 H new ATOM 1249 N THR A 76 105.105 5.186 9.907 1.00 0.00 N ATOM 1250 CA THR A 76 103.776 5.752 10.305 1.00 0.00 C ATOM 1251 C THR A 76 102.825 5.715 9.101 1.00 0.00 C ATOM 1252 O THR A 76 101.636 5.484 9.252 1.00 0.00 O ATOM 1253 CB THR A 76 103.940 7.201 10.779 1.00 0.00 C ATOM 1254 OG1 THR A 76 105.044 7.303 11.672 1.00 0.00 O ATOM 1255 CG2 THR A 76 102.676 7.648 11.508 1.00 0.00 C ATOM 0 H THR A 76 105.866 5.864 9.867 1.00 0.00 H new ATOM 0 HA THR A 76 103.365 5.155 11.119 1.00 0.00 H new ATOM 0 HB THR A 76 104.114 7.835 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 76 105.845 7.567 11.173 1.00 0.00 H new ATOM 0 HG21 THR A 76 102.795 8.678 11.844 1.00 0.00 H new ATOM 0 HG22 THR A 76 101.824 7.583 10.832 1.00 0.00 H new ATOM 0 HG23 THR A 76 102.505 7.003 12.370 1.00 0.00 H new ATOM 1263 N TRP A 77 103.340 5.925 7.905 1.00 0.00 N ATOM 1264 CA TRP A 77 102.466 5.880 6.687 1.00 0.00 C ATOM 1265 C TRP A 77 101.751 4.525 6.647 1.00 0.00 C ATOM 1266 O TRP A 77 100.586 4.440 6.292 1.00 0.00 O ATOM 1267 CB TRP A 77 103.309 6.060 5.413 1.00 0.00 C ATOM 1268 CG TRP A 77 103.978 7.404 5.414 1.00 0.00 C ATOM 1269 CD1 TRP A 77 103.668 8.435 6.239 1.00 0.00 C ATOM 1270 CD2 TRP A 77 105.061 7.879 4.561 1.00 0.00 C ATOM 1271 NE1 TRP A 77 104.497 9.503 5.950 1.00 0.00 N ATOM 1272 CE2 TRP A 77 105.370 9.211 4.925 1.00 0.00 C ATOM 1273 CE3 TRP A 77 105.803 7.290 3.518 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 106.375 9.931 4.282 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 106.816 8.014 2.868 1.00 0.00 C ATOM 1276 CH2 TRP A 77 107.101 9.332 3.249 1.00 0.00 C ATOM 0 H TRP A 77 104.324 6.124 7.724 1.00 0.00 H new ATOM 0 HA TRP A 77 101.737 6.689 6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 77 104.060 5.273 5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 77 102.674 5.963 4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.899 8.424 6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 77 104.466 10.399 6.437 1.00 0.00 H new ATOM 0 HE3 TRP A 77 105.591 6.275 3.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 106.592 10.946 4.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 107.378 7.552 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 77 107.881 9.884 2.745 1.00 0.00 H new ATOM 1287 N LYS A 78 102.435 3.471 7.039 1.00 0.00 N ATOM 1288 CA LYS A 78 101.800 2.118 7.062 1.00 0.00 C ATOM 1289 C LYS A 78 100.546 2.169 7.950 1.00 0.00 C ATOM 1290 O LYS A 78 99.469 1.758 7.547 1.00 0.00 O ATOM 1291 CB LYS A 78 102.801 1.101 7.625 1.00 0.00 C ATOM 1292 CG LYS A 78 102.256 -0.319 7.443 1.00 0.00 C ATOM 1293 CD LYS A 78 103.044 -1.289 8.332 1.00 0.00 C ATOM 1294 CE LYS A 78 102.431 -1.322 9.736 1.00 0.00 C ATOM 1295 NZ LYS A 78 102.174 -2.738 10.137 1.00 0.00 N ATOM 0 H LYS A 78 103.408 3.494 7.344 1.00 0.00 H new ATOM 0 HA LYS A 78 101.516 1.819 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 78 103.760 1.200 7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 78 102.979 1.299 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 78 101.198 -0.350 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 78 102.337 -0.620 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 78 103.031 -2.288 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 78 104.088 -0.979 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 78 103.105 -0.848 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 78 101.501 -0.754 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 101.790 -2.761 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 101.489 -3.166 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 103.064 -3.275 10.106 1.00 0.00 H new ATOM 1309 N ALA A 79 100.680 2.698 9.147 1.00 0.00 N ATOM 1310 CA ALA A 79 99.508 2.815 10.075 1.00 0.00 C ATOM 1311 C ALA A 79 98.455 3.743 9.447 1.00 0.00 C ATOM 1312 O ALA A 79 97.267 3.474 9.502 1.00 0.00 O ATOM 1313 CB ALA A 79 99.988 3.407 11.405 1.00 0.00 C ATOM 0 H ALA A 79 101.558 3.056 9.522 1.00 0.00 H new ATOM 0 HA ALA A 79 99.067 1.833 10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 79 99.144 3.497 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 79 100.742 2.753 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.420 4.392 11.230 1.00 0.00 H new ATOM 1319 N ASN A 80 98.889 4.829 8.844 1.00 0.00 N ATOM 1320 CA ASN A 80 97.931 5.782 8.195 1.00 0.00 C ATOM 1321 C ASN A 80 96.986 5.010 7.254 1.00 0.00 C ATOM 1322 O ASN A 80 95.792 5.254 7.219 1.00 0.00 O ATOM 1323 CB ASN A 80 98.723 6.823 7.396 1.00 0.00 C ATOM 1324 CG ASN A 80 98.971 8.053 8.262 1.00 0.00 C ATOM 1325 OD1 ASN A 80 98.252 9.029 8.168 1.00 0.00 O ATOM 1326 ND2 ASN A 80 99.958 8.052 9.106 1.00 0.00 N ATOM 0 H ASN A 80 99.871 5.096 8.774 1.00 0.00 H new ATOM 0 HA ASN A 80 97.337 6.283 8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 80 99.672 6.399 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 80 98.172 7.103 6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 80 100.130 8.870 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 80 100.561 7.233 9.185 1.00 0.00 H new ATOM 1333 N PHE A 81 97.517 4.072 6.502 1.00 0.00 N ATOM 1334 CA PHE A 81 96.669 3.260 5.568 1.00 0.00 C ATOM 1335 C PHE A 81 95.582 2.522 6.356 1.00 0.00 C ATOM 1336 O PHE A 81 94.426 2.501 5.974 1.00 0.00 O ATOM 1337 CB PHE A 81 97.557 2.233 4.864 1.00 0.00 C ATOM 1338 CG PHE A 81 97.044 1.960 3.472 1.00 0.00 C ATOM 1339 CD1 PHE A 81 95.838 1.276 3.286 1.00 0.00 C ATOM 1340 CD2 PHE A 81 97.787 2.379 2.366 1.00 0.00 C ATOM 1341 CE1 PHE A 81 95.376 1.012 1.991 1.00 0.00 C ATOM 1342 CE2 PHE A 81 97.329 2.114 1.072 1.00 0.00 C ATOM 1343 CZ PHE A 81 96.123 1.430 0.884 1.00 0.00 C ATOM 0 H PHE A 81 98.509 3.833 6.496 1.00 0.00 H new ATOM 0 HA PHE A 81 96.199 3.920 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 81 98.582 2.602 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 81 97.579 1.307 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 81 95.263 0.952 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 81 98.717 2.909 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 81 94.444 0.486 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 81 97.906 2.437 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.769 1.225 -0.115 1.00 0.00 H new ATOM 1353 N ARG A 82 95.954 1.904 7.450 1.00 0.00 N ATOM 1354 CA ARG A 82 94.964 1.143 8.271 1.00 0.00 C ATOM 1355 C ARG A 82 93.888 2.078 8.850 1.00 0.00 C ATOM 1356 O ARG A 82 92.730 1.701 8.925 1.00 0.00 O ATOM 1357 CB ARG A 82 95.699 0.415 9.398 1.00 0.00 C ATOM 1358 CG ARG A 82 95.369 -1.079 9.327 1.00 0.00 C ATOM 1359 CD ARG A 82 94.123 -1.363 10.165 1.00 0.00 C ATOM 1360 NE ARG A 82 92.896 -0.997 9.387 1.00 0.00 N ATOM 1361 CZ ARG A 82 92.076 -1.917 8.955 1.00 0.00 C ATOM 1362 NH1 ARG A 82 92.468 -2.782 8.076 1.00 0.00 N ATOM 1363 NH2 ARG A 82 90.861 -1.952 9.386 1.00 0.00 N ATOM 0 H ARG A 82 96.908 1.895 7.811 1.00 0.00 H new ATOM 0 HA ARG A 82 94.461 0.417 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 82 96.774 0.568 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 82 95.401 0.821 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 82 95.201 -1.377 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 82 96.210 -1.667 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 82 94.090 -2.417 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 82 94.160 -0.793 11.093 1.00 0.00 H new ATOM 0 HE ARG A 82 92.698 -0.016 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 82 93.422 -2.748 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 82 91.823 -3.498 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 82 90.540 -1.261 10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 82 90.221 -2.671 9.048 1.00 0.00 H new ATOM 1377 N CYS A 83 94.246 3.280 9.250 1.00 0.00 N ATOM 1378 CA CYS A 83 93.220 4.228 9.812 1.00 0.00 C ATOM 1379 C CYS A 83 92.108 4.442 8.782 1.00 0.00 C ATOM 1380 O CYS A 83 90.938 4.462 9.115 1.00 0.00 O ATOM 1381 CB CYS A 83 93.863 5.580 10.126 1.00 0.00 C ATOM 1382 SG CYS A 83 94.662 5.512 11.749 1.00 0.00 S ATOM 0 H CYS A 83 95.198 3.645 9.213 1.00 0.00 H new ATOM 0 HA CYS A 83 92.812 3.799 10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 83 94.596 5.832 9.359 1.00 0.00 H new ATOM 0 HB3 CYS A 83 93.107 6.365 10.115 1.00 0.00 H new ATOM 0 HG CYS A 83 95.209 6.662 12.012 1.00 0.00 H new ATOM 1388 N ALA A 84 92.473 4.593 7.529 1.00 0.00 N ATOM 1389 CA ALA A 84 91.454 4.794 6.458 1.00 0.00 C ATOM 1390 C ALA A 84 90.470 3.615 6.459 1.00 0.00 C ATOM 1391 O ALA A 84 89.279 3.796 6.295 1.00 0.00 O ATOM 1392 CB ALA A 84 92.155 4.883 5.099 1.00 0.00 C ATOM 0 H ALA A 84 93.440 4.585 7.205 1.00 0.00 H new ATOM 0 HA ALA A 84 90.907 5.718 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.412 5.030 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 84 92.850 5.723 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 84 92.703 3.960 4.911 1.00 0.00 H new ATOM 1398 N MET A 85 90.962 2.412 6.662 1.00 0.00 N ATOM 1399 CA MET A 85 90.062 1.213 6.686 1.00 0.00 C ATOM 1400 C MET A 85 89.094 1.312 7.869 1.00 0.00 C ATOM 1401 O MET A 85 87.955 0.892 7.788 1.00 0.00 O ATOM 1402 CB MET A 85 90.907 -0.055 6.808 1.00 0.00 C ATOM 1403 CG MET A 85 91.855 -0.157 5.611 1.00 0.00 C ATOM 1404 SD MET A 85 91.033 0.489 4.130 1.00 0.00 S ATOM 1405 CE MET A 85 92.317 1.671 3.659 1.00 0.00 C ATOM 0 H MET A 85 91.950 2.210 6.812 1.00 0.00 H new ATOM 0 HA MET A 85 89.486 1.175 5.762 1.00 0.00 H new ATOM 0 HB2 MET A 85 91.478 -0.036 7.736 1.00 0.00 H new ATOM 0 HB3 MET A 85 90.261 -0.932 6.849 1.00 0.00 H new ATOM 0 HG2 MET A 85 92.768 0.406 5.808 1.00 0.00 H new ATOM 0 HG3 MET A 85 92.148 -1.195 5.453 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.930 2.686 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 85 93.181 1.550 4.313 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.616 1.492 2.626 1.00 0.00 H new ATOM 1415 N ASN A 86 89.532 1.893 8.959 1.00 0.00 N ATOM 1416 CA ASN A 86 88.635 2.059 10.140 1.00 0.00 C ATOM 1417 C ASN A 86 87.812 3.355 9.965 1.00 0.00 C ATOM 1418 O ASN A 86 87.139 3.798 10.879 1.00 0.00 O ATOM 1419 CB ASN A 86 89.488 2.147 11.418 1.00 0.00 C ATOM 1420 CG ASN A 86 90.298 0.857 11.630 1.00 0.00 C ATOM 1421 OD1 ASN A 86 90.251 -0.065 10.838 1.00 0.00 O ATOM 1422 ND2 ASN A 86 91.052 0.753 12.685 1.00 0.00 N ATOM 0 H ASN A 86 90.476 2.260 9.080 1.00 0.00 H new ATOM 0 HA ASN A 86 87.959 1.208 10.221 1.00 0.00 H new ATOM 0 HB2 ASN A 86 90.165 2.999 11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 86 88.843 2.321 12.279 1.00 0.00 H new ATOM 0 HD21 ASN A 86 91.596 -0.095 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 86 91.099 1.520 13.356 1.00 0.00 H new ATOM 1429 N SER A 87 87.865 3.963 8.791 1.00 0.00 N ATOM 1430 CA SER A 87 87.100 5.221 8.541 1.00 0.00 C ATOM 1431 C SER A 87 86.026 4.980 7.476 1.00 0.00 C ATOM 1432 O SER A 87 85.611 3.860 7.272 1.00 0.00 O ATOM 1433 CB SER A 87 88.075 6.325 8.100 1.00 0.00 C ATOM 1434 OG SER A 87 87.349 7.528 7.845 1.00 0.00 O ATOM 0 H SER A 87 88.412 3.631 7.996 1.00 0.00 H new ATOM 0 HA SER A 87 86.600 5.537 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 87 88.822 6.496 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.611 6.014 7.203 1.00 0.00 H new ATOM 0 HG SER A 87 87.971 8.232 7.566 1.00 0.00 H new ATOM 1440 N LEU A 88 85.567 6.034 6.825 1.00 0.00 N ATOM 1441 CA LEU A 88 84.478 5.927 5.782 1.00 0.00 C ATOM 1442 C LEU A 88 83.470 4.820 6.162 1.00 0.00 C ATOM 1443 O LEU A 88 83.662 3.660 5.834 1.00 0.00 O ATOM 1444 CB LEU A 88 85.071 5.617 4.390 1.00 0.00 C ATOM 1445 CG LEU A 88 86.590 5.830 4.368 1.00 0.00 C ATOM 1446 CD1 LEU A 88 87.282 4.471 4.371 1.00 0.00 C ATOM 1447 CD2 LEU A 88 86.982 6.590 3.100 1.00 0.00 C ATOM 0 H LEU A 88 85.908 6.983 6.975 1.00 0.00 H new ATOM 0 HA LEU A 88 83.965 6.888 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 88 84.843 4.587 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 88 84.602 6.256 3.642 1.00 0.00 H new ATOM 0 HG LEU A 88 86.892 6.404 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 88 88.363 4.613 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 88 87.001 3.922 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 88 86.978 3.906 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 88 88.061 6.741 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 88 86.684 6.014 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 88 86.480 7.558 3.086 1.00 0.00 H new ATOM 1459 N PRO A 89 82.404 5.203 6.837 1.00 0.00 N ATOM 1460 CA PRO A 89 81.357 4.245 7.280 1.00 0.00 C ATOM 1461 C PRO A 89 80.590 3.631 6.093 1.00 0.00 C ATOM 1462 O PRO A 89 79.379 3.495 6.112 1.00 0.00 O ATOM 1463 CB PRO A 89 80.462 5.086 8.198 1.00 0.00 C ATOM 1464 CG PRO A 89 80.717 6.563 7.822 1.00 0.00 C ATOM 1465 CD PRO A 89 82.123 6.611 7.194 1.00 0.00 C ATOM 0 HA PRO A 89 81.769 3.376 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 89 79.412 4.826 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 89 80.701 4.905 9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 89 79.965 6.921 7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.662 7.204 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 89 82.146 7.257 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 89 82.861 7.000 7.896 1.00 0.00 H new ATOM 1473 N ASP A 90 81.313 3.228 5.081 1.00 0.00 N ATOM 1474 CA ASP A 90 80.712 2.584 3.884 1.00 0.00 C ATOM 1475 C ASP A 90 81.715 1.559 3.305 1.00 0.00 C ATOM 1476 O ASP A 90 81.545 1.077 2.203 1.00 0.00 O ATOM 1477 CB ASP A 90 80.383 3.660 2.836 1.00 0.00 C ATOM 1478 CG ASP A 90 81.593 4.568 2.604 1.00 0.00 C ATOM 1479 OD1 ASP A 90 82.435 4.218 1.792 1.00 0.00 O ATOM 1480 OD2 ASP A 90 81.643 5.619 3.220 1.00 0.00 O ATOM 0 H ASP A 90 82.328 3.324 5.038 1.00 0.00 H new ATOM 0 HA ASP A 90 79.792 2.068 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 90 80.091 3.186 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 90 79.533 4.255 3.171 1.00 0.00 H new ATOM 1485 N ILE A 91 82.762 1.225 4.042 1.00 0.00 N ATOM 1486 CA ILE A 91 83.765 0.244 3.541 1.00 0.00 C ATOM 1487 C ILE A 91 83.645 -1.067 4.338 1.00 0.00 C ATOM 1488 O ILE A 91 83.540 -1.059 5.553 1.00 0.00 O ATOM 1489 CB ILE A 91 85.200 0.825 3.677 1.00 0.00 C ATOM 1490 CG1 ILE A 91 85.949 0.166 4.844 1.00 0.00 C ATOM 1491 CG2 ILE A 91 85.174 2.339 3.921 1.00 0.00 C ATOM 1492 CD1 ILE A 91 87.359 0.751 4.945 1.00 0.00 C ATOM 0 H ILE A 91 82.955 1.598 4.971 1.00 0.00 H new ATOM 0 HA ILE A 91 83.572 0.042 2.487 1.00 0.00 H new ATOM 0 HB ILE A 91 85.711 0.617 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 91 85.408 0.331 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 91 86.002 -0.912 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 91 86.195 2.711 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 91 84.680 2.834 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 91 84.629 2.550 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 91 87.889 0.282 5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 91 87.898 0.563 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 91 87.296 1.826 5.116 1.00 0.00 H new ATOM 1504 N GLU A 92 83.676 -2.189 3.662 1.00 0.00 N ATOM 1505 CA GLU A 92 83.588 -3.512 4.364 1.00 0.00 C ATOM 1506 C GLU A 92 84.842 -4.324 4.024 1.00 0.00 C ATOM 1507 O GLU A 92 84.997 -4.794 2.911 1.00 0.00 O ATOM 1508 CB GLU A 92 82.332 -4.260 3.898 1.00 0.00 C ATOM 1509 CG GLU A 92 81.941 -5.320 4.937 1.00 0.00 C ATOM 1510 CD GLU A 92 81.282 -6.515 4.239 1.00 0.00 C ATOM 1511 OE1 GLU A 92 80.074 -6.482 4.051 1.00 0.00 O ATOM 1512 OE2 GLU A 92 81.992 -7.445 3.898 1.00 0.00 O ATOM 0 H GLU A 92 83.759 -2.248 2.647 1.00 0.00 H new ATOM 0 HA GLU A 92 83.524 -3.365 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 92 81.511 -3.557 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 92 82.517 -4.734 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 92 82.824 -5.649 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 92 81.255 -4.891 5.667 1.00 0.00 H new ATOM 1519 N GLU A 93 85.756 -4.458 4.961 1.00 0.00 N ATOM 1520 CA GLU A 93 87.027 -5.201 4.678 1.00 0.00 C ATOM 1521 C GLU A 93 86.853 -6.716 4.864 1.00 0.00 C ATOM 1522 O GLU A 93 86.290 -7.187 5.838 1.00 0.00 O ATOM 1523 CB GLU A 93 88.153 -4.657 5.574 1.00 0.00 C ATOM 1524 CG GLU A 93 88.257 -5.404 6.912 1.00 0.00 C ATOM 1525 CD GLU A 93 89.531 -4.952 7.644 1.00 0.00 C ATOM 1526 OE1 GLU A 93 89.640 -3.767 7.948 1.00 0.00 O ATOM 1527 OE2 GLU A 93 90.393 -5.787 7.869 1.00 0.00 O ATOM 0 H GLU A 93 85.675 -4.085 5.907 1.00 0.00 H new ATOM 0 HA GLU A 93 87.295 -5.041 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 93 89.103 -4.734 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 93 87.980 -3.598 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 93 87.379 -5.201 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 93 88.284 -6.480 6.741 1.00 0.00 H new ATOM 1534 N VAL A 94 87.339 -7.476 3.911 1.00 0.00 N ATOM 1535 CA VAL A 94 87.228 -8.965 3.976 1.00 0.00 C ATOM 1536 C VAL A 94 88.547 -9.606 3.503 1.00 0.00 C ATOM 1537 O VAL A 94 88.836 -9.655 2.318 1.00 0.00 O ATOM 1538 CB VAL A 94 86.062 -9.415 3.078 1.00 0.00 C ATOM 1539 CG1 VAL A 94 86.090 -10.934 2.894 1.00 0.00 C ATOM 1540 CG2 VAL A 94 84.737 -9.011 3.729 1.00 0.00 C ATOM 0 H VAL A 94 87.814 -7.121 3.081 1.00 0.00 H new ATOM 0 HA VAL A 94 87.038 -9.281 5.002 1.00 0.00 H new ATOM 0 HB VAL A 94 86.160 -8.937 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 94 85.260 -11.239 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 94 87.031 -11.227 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 94 85.999 -11.420 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 94 83.909 -9.328 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 94 84.651 -9.488 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 94 84.707 -7.928 3.851 1.00 0.00 H new ATOM 1550 N LYS A 95 89.348 -10.092 4.426 1.00 0.00 N ATOM 1551 CA LYS A 95 90.652 -10.737 4.055 1.00 0.00 C ATOM 1552 C LYS A 95 90.577 -12.268 4.258 1.00 0.00 C ATOM 1553 O LYS A 95 91.596 -12.943 4.300 1.00 0.00 O ATOM 1554 CB LYS A 95 91.765 -10.158 4.935 1.00 0.00 C ATOM 1555 CG LYS A 95 91.485 -10.484 6.408 1.00 0.00 C ATOM 1556 CD LYS A 95 92.784 -10.914 7.100 1.00 0.00 C ATOM 1557 CE LYS A 95 92.608 -12.309 7.708 1.00 0.00 C ATOM 1558 NZ LYS A 95 92.645 -13.338 6.630 1.00 0.00 N ATOM 0 H LYS A 95 89.153 -10.069 5.427 1.00 0.00 H new ATOM 0 HA LYS A 95 90.862 -10.536 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 95 92.729 -10.572 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 95 91.826 -9.078 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.066 -9.612 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 95 90.743 -11.280 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.605 -10.920 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 95 93.047 -10.198 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 95 93.398 -12.501 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 95 91.661 -12.365 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 91.784 -13.920 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 92.697 -12.868 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 93.480 -13.945 6.758 1.00 0.00 H new ATOM 1572 N ASP A 96 89.379 -12.809 4.389 1.00 0.00 N ATOM 1573 CA ASP A 96 89.198 -14.291 4.591 1.00 0.00 C ATOM 1574 C ASP A 96 89.713 -14.727 5.981 1.00 0.00 C ATOM 1575 O ASP A 96 90.293 -13.948 6.722 1.00 0.00 O ATOM 1576 CB ASP A 96 89.952 -15.056 3.492 1.00 0.00 C ATOM 1577 CG ASP A 96 89.291 -16.413 3.265 1.00 0.00 C ATOM 1578 OD1 ASP A 96 89.602 -17.338 3.999 1.00 0.00 O ATOM 1579 OD2 ASP A 96 88.482 -16.514 2.355 1.00 0.00 O ATOM 0 H ASP A 96 88.509 -12.278 4.364 1.00 0.00 H new ATOM 0 HA ASP A 96 88.134 -14.521 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 96 89.949 -14.480 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 96 90.995 -15.192 3.780 1.00 0.00 H new ATOM 1584 N ARG A 97 89.515 -15.977 6.331 1.00 0.00 N ATOM 1585 CA ARG A 97 89.986 -16.496 7.654 1.00 0.00 C ATOM 1586 C ARG A 97 90.604 -17.896 7.472 1.00 0.00 C ATOM 1587 O ARG A 97 91.717 -18.142 7.905 1.00 0.00 O ATOM 1588 CB ARG A 97 88.792 -16.548 8.631 1.00 0.00 C ATOM 1589 CG ARG A 97 88.961 -17.686 9.653 1.00 0.00 C ATOM 1590 CD ARG A 97 90.141 -17.391 10.584 1.00 0.00 C ATOM 1591 NE ARG A 97 91.208 -18.418 10.370 1.00 0.00 N ATOM 1592 CZ ARG A 97 91.462 -19.307 11.282 1.00 0.00 C ATOM 1593 NH1 ARG A 97 91.838 -18.935 12.465 1.00 0.00 N ATOM 1594 NH2 ARG A 97 91.356 -20.565 11.001 1.00 0.00 N ATOM 0 H ARG A 97 89.041 -16.667 5.748 1.00 0.00 H new ATOM 0 HA ARG A 97 90.749 -15.834 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 97 88.704 -15.596 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 97 87.867 -16.691 8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 97 88.047 -17.799 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 97 89.126 -18.630 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 97 90.535 -16.394 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 97 89.811 -17.403 11.623 1.00 0.00 H new ATOM 0 HE ARG A 97 91.741 -18.420 9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 97 91.935 -17.943 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 97 92.037 -19.634 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 97 91.074 -20.857 10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 97 91.555 -21.266 11.715 1.00 0.00 H new ATOM 1608 N SER A 98 89.891 -18.816 6.857 1.00 0.00 N ATOM 1609 CA SER A 98 90.443 -20.204 6.675 1.00 0.00 C ATOM 1610 C SER A 98 90.030 -20.793 5.320 1.00 0.00 C ATOM 1611 O SER A 98 89.824 -21.987 5.196 1.00 0.00 O ATOM 1612 CB SER A 98 89.899 -21.108 7.781 1.00 0.00 C ATOM 1613 OG SER A 98 90.897 -21.299 8.782 1.00 0.00 O ATOM 0 H SER A 98 88.957 -18.668 6.475 1.00 0.00 H new ATOM 0 HA SER A 98 91.531 -20.146 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 98 89.008 -20.662 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 98 89.600 -22.070 7.364 1.00 0.00 H new ATOM 0 HG SER A 98 90.685 -22.099 9.306 1.00 0.00 H new ATOM 1619 N ILE A 99 89.913 -19.988 4.307 1.00 0.00 N ATOM 1620 CA ILE A 99 89.510 -20.530 2.974 1.00 0.00 C ATOM 1621 C ILE A 99 90.442 -19.983 1.880 1.00 0.00 C ATOM 1622 O ILE A 99 91.340 -20.680 1.427 1.00 0.00 O ATOM 1623 CB ILE A 99 88.048 -20.149 2.699 1.00 0.00 C ATOM 1624 CG1 ILE A 99 87.134 -20.896 3.674 1.00 0.00 C ATOM 1625 CG2 ILE A 99 87.668 -20.550 1.277 1.00 0.00 C ATOM 1626 CD1 ILE A 99 86.534 -19.911 4.679 1.00 0.00 C ATOM 0 H ILE A 99 90.077 -18.982 4.338 1.00 0.00 H new ATOM 0 HA ILE A 99 89.596 -21.617 2.972 1.00 0.00 H new ATOM 0 HB ILE A 99 87.934 -19.072 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 99 86.338 -21.401 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 99 87.699 -21.667 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 99 86.630 -20.277 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 99 88.314 -20.033 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 99 87.788 -21.627 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 99 85.884 -20.447 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 99 87.336 -19.426 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 99 85.954 -19.157 4.147 1.00 0.00 H new ATOM 1638 N LYS A 100 90.253 -18.747 1.473 1.00 0.00 N ATOM 1639 CA LYS A 100 91.129 -18.135 0.418 1.00 0.00 C ATOM 1640 C LYS A 100 92.479 -17.752 1.043 1.00 0.00 C ATOM 1641 O LYS A 100 92.800 -16.588 1.215 1.00 0.00 O ATOM 1642 CB LYS A 100 90.441 -16.887 -0.152 1.00 0.00 C ATOM 1643 CG LYS A 100 89.293 -17.310 -1.070 1.00 0.00 C ATOM 1644 CD LYS A 100 88.263 -16.178 -1.158 1.00 0.00 C ATOM 1645 CE LYS A 100 86.948 -16.621 -0.513 1.00 0.00 C ATOM 1646 NZ LYS A 100 86.739 -15.859 0.754 1.00 0.00 N ATOM 0 H LYS A 100 89.523 -18.131 1.830 1.00 0.00 H new ATOM 0 HA LYS A 100 91.296 -18.850 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 100 90.062 -16.266 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 100 91.160 -16.284 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 100 89.676 -17.545 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 100 88.822 -18.215 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 100 88.643 -15.288 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 100 88.094 -15.908 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 100 86.117 -16.447 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 100 86.973 -17.691 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 85.953 -16.282 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 87.606 -15.895 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 86.513 -14.869 0.530 1.00 0.00 H new ATOM 1660 N LYS A 101 93.262 -18.739 1.398 1.00 0.00 N ATOM 1661 CA LYS A 101 94.589 -18.473 2.037 1.00 0.00 C ATOM 1662 C LYS A 101 95.669 -19.343 1.366 1.00 0.00 C ATOM 1663 O LYS A 101 96.366 -20.105 2.013 1.00 0.00 O ATOM 1664 CB LYS A 101 94.522 -18.778 3.554 1.00 0.00 C ATOM 1665 CG LYS A 101 93.180 -19.434 3.941 1.00 0.00 C ATOM 1666 CD LYS A 101 93.423 -20.889 4.364 1.00 0.00 C ATOM 1667 CE LYS A 101 93.841 -21.722 3.147 1.00 0.00 C ATOM 1668 NZ LYS A 101 92.653 -22.461 2.614 1.00 0.00 N ATOM 0 H LYS A 101 93.038 -19.726 1.272 1.00 0.00 H new ATOM 0 HA LYS A 101 94.845 -17.422 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 101 95.344 -19.439 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 101 94.653 -17.854 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 101 92.714 -18.880 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 101 92.490 -19.400 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 101 94.199 -20.930 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 101 92.518 -21.304 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.256 -21.074 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 101 94.625 -22.426 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 92.968 -23.175 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 92.156 -22.931 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 92.008 -21.791 2.147 1.00 0.00 H new ATOM 1682 N GLY A 102 95.804 -19.235 0.064 1.00 0.00 N ATOM 1683 CA GLY A 102 96.829 -20.048 -0.667 1.00 0.00 C ATOM 1684 C GLY A 102 97.072 -19.458 -2.060 1.00 0.00 C ATOM 1685 O GLY A 102 97.023 -20.159 -3.051 1.00 0.00 O ATOM 0 H GLY A 102 95.246 -18.617 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 102 97.761 -20.065 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 102 96.491 -21.081 -0.755 1.00 0.00 H new ATOM 1689 N ASN A 103 97.337 -18.174 -2.134 1.00 0.00 N ATOM 1690 CA ASN A 103 97.590 -17.519 -3.457 1.00 0.00 C ATOM 1691 C ASN A 103 98.040 -16.067 -3.235 1.00 0.00 C ATOM 1692 O ASN A 103 99.104 -15.667 -3.664 1.00 0.00 O ATOM 1693 CB ASN A 103 96.304 -17.534 -4.295 1.00 0.00 C ATOM 1694 CG ASN A 103 96.607 -17.002 -5.696 1.00 0.00 C ATOM 1695 OD1 ASN A 103 96.437 -15.832 -5.965 1.00 0.00 O ATOM 1696 ND2 ASN A 103 97.064 -17.817 -6.599 1.00 0.00 N ATOM 0 H ASN A 103 97.389 -17.549 -1.330 1.00 0.00 H new ATOM 0 HA ASN A 103 98.372 -18.065 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 103 95.908 -18.548 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 103 95.539 -16.921 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 103 97.280 -17.473 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 103 97.207 -18.801 -6.372 1.00 0.00 H new ATOM 1703 N ASN A 104 97.228 -15.286 -2.564 1.00 0.00 N ATOM 1704 CA ASN A 104 97.581 -13.856 -2.300 1.00 0.00 C ATOM 1705 C ASN A 104 97.036 -13.434 -0.926 1.00 0.00 C ATOM 1706 O ASN A 104 97.759 -12.915 -0.099 1.00 0.00 O ATOM 1707 CB ASN A 104 96.964 -12.974 -3.392 1.00 0.00 C ATOM 1708 CG ASN A 104 97.981 -12.745 -4.510 1.00 0.00 C ATOM 1709 OD1 ASN A 104 98.806 -11.864 -4.422 1.00 0.00 O ATOM 1710 ND2 ASN A 104 97.954 -13.502 -5.568 1.00 0.00 N ATOM 0 H ASN A 104 96.328 -15.581 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 104 98.665 -13.740 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.069 -13.450 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.654 -12.019 -2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 104 98.627 -13.352 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.260 -14.246 -5.646 1.00 0.00 H new ATOM 1717 N ALA A 105 95.757 -13.658 -0.688 1.00 0.00 N ATOM 1718 CA ALA A 105 95.129 -13.282 0.619 1.00 0.00 C ATOM 1719 C ALA A 105 95.188 -11.755 0.792 1.00 0.00 C ATOM 1720 O ALA A 105 95.828 -11.232 1.688 1.00 0.00 O ATOM 1721 CB ALA A 105 95.859 -13.995 1.768 1.00 0.00 C ATOM 0 H ALA A 105 95.119 -14.091 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 105 94.084 -13.593 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 105 95.400 -13.719 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 105 95.788 -15.074 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 105 96.908 -13.698 1.773 1.00 0.00 H new ATOM 1727 N PHE A 106 94.513 -11.041 -0.075 1.00 0.00 N ATOM 1728 CA PHE A 106 94.506 -9.544 0.010 1.00 0.00 C ATOM 1729 C PHE A 106 93.327 -9.066 0.874 1.00 0.00 C ATOM 1730 O PHE A 106 92.720 -9.839 1.598 1.00 0.00 O ATOM 1731 CB PHE A 106 94.421 -8.916 -1.381 1.00 0.00 C ATOM 1732 CG PHE A 106 93.830 -9.840 -2.386 1.00 0.00 C ATOM 1733 CD1 PHE A 106 92.486 -10.189 -2.316 1.00 0.00 C ATOM 1734 CD2 PHE A 106 94.639 -10.326 -3.403 1.00 0.00 C ATOM 1735 CE1 PHE A 106 91.948 -11.039 -3.274 1.00 0.00 C ATOM 1736 CE2 PHE A 106 94.113 -11.170 -4.366 1.00 0.00 C ATOM 1737 CZ PHE A 106 92.759 -11.535 -4.308 1.00 0.00 C ATOM 0 H PHE A 106 93.964 -11.430 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 106 95.441 -9.228 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 106 93.821 -8.007 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 106 95.419 -8.621 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 106 91.864 -9.802 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 106 95.681 -10.045 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 106 90.906 -11.319 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 106 94.742 -11.546 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 106 92.343 -12.194 -5.055 1.00 0.00 H new ATOM 1747 N ARG A 107 92.988 -7.801 0.800 1.00 0.00 N ATOM 1748 CA ARG A 107 91.844 -7.279 1.605 1.00 0.00 C ATOM 1749 C ARG A 107 90.767 -6.732 0.661 1.00 0.00 C ATOM 1750 O ARG A 107 90.923 -5.678 0.050 1.00 0.00 O ATOM 1751 CB ARG A 107 92.339 -6.179 2.551 1.00 0.00 C ATOM 1752 CG ARG A 107 92.331 -6.685 3.992 1.00 0.00 C ATOM 1753 CD ARG A 107 92.082 -5.520 4.949 1.00 0.00 C ATOM 1754 NE ARG A 107 92.460 -5.930 6.336 1.00 0.00 N ATOM 1755 CZ ARG A 107 93.675 -6.322 6.608 1.00 0.00 C ATOM 1756 NH1 ARG A 107 94.650 -6.048 5.794 1.00 0.00 N ATOM 1757 NH2 ARG A 107 93.913 -6.984 7.699 1.00 0.00 N ATOM 0 H ARG A 107 93.456 -7.109 0.215 1.00 0.00 H new ATOM 0 HA ARG A 107 91.415 -8.084 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 107 93.347 -5.873 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.702 -5.299 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 107 91.557 -7.442 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 107 93.283 -7.162 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 107 92.665 -4.652 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 107 91.033 -5.226 4.918 1.00 0.00 H new ATOM 0 HE ARG A 107 91.761 -5.903 7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 107 94.468 -5.524 4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 107 95.598 -6.357 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 107 93.151 -7.197 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 107 94.862 -7.291 7.913 1.00 0.00 H new ATOM 1771 N VAL A 108 89.673 -7.449 0.545 1.00 0.00 N ATOM 1772 CA VAL A 108 88.557 -7.001 -0.336 1.00 0.00 C ATOM 1773 C VAL A 108 87.705 -6.000 0.453 1.00 0.00 C ATOM 1774 O VAL A 108 87.202 -6.304 1.518 1.00 0.00 O ATOM 1775 CB VAL A 108 87.717 -8.218 -0.754 1.00 0.00 C ATOM 1776 CG1 VAL A 108 86.444 -7.751 -1.461 1.00 0.00 C ATOM 1777 CG2 VAL A 108 88.535 -9.092 -1.712 1.00 0.00 C ATOM 0 H VAL A 108 89.509 -8.332 1.029 1.00 0.00 H new ATOM 0 HA VAL A 108 88.940 -6.525 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 108 87.448 -8.792 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 108 85.852 -8.618 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 108 85.861 -7.126 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 108 86.710 -7.176 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 87.943 -9.957 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 108 88.802 -8.512 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 108 89.443 -9.429 -1.211 1.00 0.00 H new ATOM 1787 N TYR A 109 87.570 -4.800 -0.045 1.00 0.00 N ATOM 1788 CA TYR A 109 86.784 -3.760 0.681 1.00 0.00 C ATOM 1789 C TYR A 109 85.522 -3.389 -0.105 1.00 0.00 C ATOM 1790 O TYR A 109 85.588 -2.914 -1.228 1.00 0.00 O ATOM 1791 CB TYR A 109 87.651 -2.505 0.852 1.00 0.00 C ATOM 1792 CG TYR A 109 88.425 -2.576 2.145 1.00 0.00 C ATOM 1793 CD1 TYR A 109 89.584 -3.349 2.217 1.00 0.00 C ATOM 1794 CD2 TYR A 109 87.993 -1.859 3.266 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.313 -3.409 3.409 1.00 0.00 C ATOM 1796 CE2 TYR A 109 88.723 -1.920 4.461 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.884 -2.697 4.530 1.00 0.00 C ATOM 1798 OH TYR A 109 90.608 -2.769 5.706 1.00 0.00 O ATOM 0 H TYR A 109 87.974 -4.493 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 109 86.491 -4.157 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 109 88.340 -2.413 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 109 87.021 -1.616 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 109 89.919 -3.902 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 109 87.097 -1.259 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 109 91.210 -4.008 3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 109 88.390 -1.368 5.327 1.00 0.00 H new ATOM 0 HH TYR A 109 89.992 -2.814 6.467 1.00 0.00 H new ATOM 1808 N ARG A 110 84.371 -3.567 0.484 1.00 0.00 N ATOM 1809 CA ARG A 110 83.112 -3.183 -0.218 1.00 0.00 C ATOM 1810 C ARG A 110 82.805 -1.729 0.148 1.00 0.00 C ATOM 1811 O ARG A 110 82.599 -1.407 1.304 1.00 0.00 O ATOM 1812 CB ARG A 110 81.963 -4.092 0.216 1.00 0.00 C ATOM 1813 CG ARG A 110 82.249 -5.532 -0.221 1.00 0.00 C ATOM 1814 CD ARG A 110 81.591 -6.498 0.761 1.00 0.00 C ATOM 1815 NE ARG A 110 80.114 -6.277 0.746 1.00 0.00 N ATOM 1816 CZ ARG A 110 79.304 -7.273 0.886 1.00 0.00 C ATOM 1817 NH1 ARG A 110 78.987 -7.678 2.071 1.00 0.00 N ATOM 1818 NH2 ARG A 110 78.813 -7.860 -0.160 1.00 0.00 N ATOM 0 H ARG A 110 84.247 -3.960 1.417 1.00 0.00 H new ATOM 0 HA ARG A 110 83.230 -3.289 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 110 81.841 -4.048 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 110 81.028 -3.747 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 110 81.866 -5.702 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 110 83.324 -5.707 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 110 81.820 -7.528 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 110 81.985 -6.340 1.765 1.00 0.00 H new ATOM 0 HE ARG A 110 79.743 -5.335 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 110 79.376 -7.212 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 110 78.348 -8.464 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 110 79.066 -7.535 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 110 78.173 -8.647 -0.050 1.00 0.00 H new ATOM 1832 N MET A 111 82.805 -0.851 -0.820 1.00 0.00 N ATOM 1833 CA MET A 111 82.542 0.589 -0.536 1.00 0.00 C ATOM 1834 C MET A 111 81.126 0.971 -0.981 1.00 0.00 C ATOM 1835 O MET A 111 80.722 0.709 -2.094 1.00 0.00 O ATOM 1836 CB MET A 111 83.559 1.446 -1.302 1.00 0.00 C ATOM 1837 CG MET A 111 84.072 2.574 -0.402 1.00 0.00 C ATOM 1838 SD MET A 111 85.816 2.895 -0.777 1.00 0.00 S ATOM 1839 CE MET A 111 85.585 4.370 -1.800 1.00 0.00 C ATOM 0 H MET A 111 82.977 -1.072 -1.801 1.00 0.00 H new ATOM 0 HA MET A 111 82.635 0.762 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 111 84.392 0.827 -1.635 1.00 0.00 H new ATOM 0 HB3 MET A 111 83.096 1.864 -2.196 1.00 0.00 H new ATOM 0 HG2 MET A 111 83.482 3.477 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 111 83.959 2.298 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 111 86.555 4.733 -2.139 1.00 0.00 H new ATOM 0 HE2 MET A 111 84.969 4.121 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 111 85.092 5.146 -1.214 1.00 0.00 H new ATOM 1849 N LEU A 112 80.377 1.606 -0.128 1.00 0.00 N ATOM 1850 CA LEU A 112 78.993 2.032 -0.510 1.00 0.00 C ATOM 1851 C LEU A 112 79.091 3.389 -1.255 1.00 0.00 C ATOM 1852 O LEU A 112 80.189 3.869 -1.503 1.00 0.00 O ATOM 1853 CB LEU A 112 78.125 2.142 0.760 1.00 0.00 C ATOM 1854 CG LEU A 112 78.405 0.954 1.694 1.00 0.00 C ATOM 1855 CD1 LEU A 112 77.483 1.025 2.912 1.00 0.00 C ATOM 1856 CD2 LEU A 112 78.152 -0.358 0.948 1.00 0.00 C ATOM 0 H LEU A 112 80.659 1.852 0.821 1.00 0.00 H new ATOM 0 HA LEU A 112 78.525 1.302 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 112 78.338 3.078 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 112 77.070 2.161 0.488 1.00 0.00 H new ATOM 0 HG LEU A 112 79.444 0.995 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 112 77.685 0.181 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 112 77.662 1.956 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 112 76.444 0.989 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 112 78.351 -1.199 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 112 77.114 -0.395 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 112 78.810 -0.417 0.081 1.00 0.00 H new ATOM 1868 N PRO A 113 77.963 3.971 -1.622 1.00 0.00 N ATOM 1869 CA PRO A 113 77.956 5.254 -2.359 1.00 0.00 C ATOM 1870 C PRO A 113 78.360 6.431 -1.451 1.00 0.00 C ATOM 1871 O PRO A 113 77.917 6.480 -0.311 1.00 0.00 O ATOM 1872 CB PRO A 113 76.520 5.382 -2.866 1.00 0.00 C ATOM 1873 CG PRO A 113 75.661 4.478 -1.963 1.00 0.00 C ATOM 1874 CD PRO A 113 76.612 3.438 -1.339 1.00 0.00 C ATOM 1875 OXT PRO A 113 79.138 7.256 -1.910 1.00 0.00 O ATOM 0 HA PRO A 113 78.681 5.275 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 113 76.181 6.417 -2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 113 76.447 5.073 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 113 75.167 5.064 -1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 113 74.877 3.988 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 113 76.441 3.333 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 113 76.471 2.452 -1.782 1.00 0.00 H new TER 1883 PRO A 113 END