USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) HEADER REGULATORY PROTEIN 20-FEB-98 1VPC TITLE C-TERMINAL DOMAIN (52-96) OF THE HIV-1 REGULATORY PROTEIN TITLE 2 VPR, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VPR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 52-96; COMPND 5 SYNONYM: VPR HIV-1 (LAI); COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676 KEYWDS REGULATORY PROTEIN, HELICAL DOMAIN, LEUCINE-ZIPPER EXPDTA SOLUTION NMR AUTHOR W.SCHUELER,H.DE ROCQUIGNY,Y.BAUDAT,J.SIRE,B.P.ROQUES REVDAT 3 24-FEB-09 1VPC 1 VERSN REVDAT 2 01-APR-03 1VPC 1 JRNL REVDAT 1 23-MAR-99 1VPC 0 JRNL AUTH W.SCHULER,K.WECKER,H.DE ROCQUIGNY,Y.BAUDAT,J.SIRE, JRNL AUTH 2 B.P.ROQUES JRNL TITL NMR STRUCTURE OF THE (52-96) C-TERMINAL DOMAIN OF JRNL TITL 2 THE HIV-1 REGULATORY PROTEIN VPR: MOLECULAR JRNL TITL 3 INSIGHTS INTO ITS BIOLOGICAL FUNCTIONS. JRNL REF J.MOL.BIOL. V. 285 2105 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 9925788 JRNL DOI 10.1006/JMBI.1998.2381 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SEVENTY STRUCTURES WERE GENERATED BY REMARK 3 SIMULATED ANNEALING AND FIFTEEN SELECTED STRUCTURES FURTHER REMARK 3 REFINED BY RESTRAINED MOLECULAR DYNAMICS (5PS 1000K, 10PS REMARK 3 600K, 55PS 300K) FOLLOWED BY ENERGY MINIMIZATION. THE BEST REMARK 3 STRUCTURE SELECTED WITH RESPECT TO RESTRAINT VIOLATIONS AND REMARK 3 TOTAL ENERGY IS PRESENTED IN THIS ENTRY. REMARK 4 REMARK 4 1VPC 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) : 313 REMARK 210 PH : 3.4 REMARK 210 IONIC STRENGTH : LOW SALT CONDITIONS REMARK 210 PRESSURE : 1 ATMOSPHERE ATM REMARK 210 SAMPLE CONTENTS : 70% H2O 30% TFE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, E.COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : BRUKER UXNMR UXNMR, BIOSYM/ REMARK 210 MSI FELIX FELIX REMARK 210 METHOD USED : DYNAMICAL SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS, REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATIONS, REMARK 210 LOWEST TOTAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 1H-NMR SPECTROSCOPY REMARK 210 ON THE C-TERMINAL DOMAIN (52-96)VPR. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 78 CG HIS A 78 CD2 0.061 REMARK 500 SER A 96 C SER A 96 OXT 0.151 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 62 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 73 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 77 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 80 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 87 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 88 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 90 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 78 -72.40 -110.49 REMARK 500 ARG A 80 64.49 76.62 REMARK 500 ILE A 81 -74.04 -95.69 REMARK 500 ILE A 83 71.87 63.36 REMARK 500 GLN A 85 -59.24 -155.53 REMARK 500 ARG A 88 -72.82 -102.53 REMARK 500 REMARK 500 REMARK: NULL DBREF 1VPC A 52 96 UNP Q73369 Q73369_9HIV1 52 96 SEQRES 1 A 45 ASP THR TRP THR GLY VAL GLU ALA LEU ILE ARG ILE LEU SEQRES 2 A 45 GLN GLN LEU LEU PHE ILE HIS PHE ARG ILE GLY CYS ARG SEQRES 3 A 45 HIS SER ARG ILE GLY ILE ILE GLN GLN ARG ARG THR ARG SEQRES 4 A 45 ASN GLY ALA SER LYS SER HELIX 1 1 TRP A 54 CYS A 76 1 23 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 86 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Set 1.2: A 91 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 GLN : amide:sc= 0.0671 X(o=0.067,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -18:sc= 0.544 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 52 -30.140 4.526 -7.631 1.00 0.00 N ATOM 2 CA ASP A 52 -28.699 4.218 -7.774 1.00 0.00 C ATOM 3 C ASP A 52 -28.449 3.311 -9.020 1.00 0.00 C ATOM 4 O ASP A 52 -29.344 2.621 -9.520 1.00 0.00 O ATOM 5 CB ASP A 52 -28.208 3.573 -6.458 1.00 0.00 C ATOM 6 CG ASP A 52 -26.686 3.630 -6.275 1.00 0.00 C ATOM 7 OD1 ASP A 52 -26.162 4.713 -5.935 1.00 0.00 O ATOM 8 OD2 ASP A 52 -26.010 2.602 -6.488 1.00 0.00 O ATOM 0 HA ASP A 52 -28.127 5.130 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -28.685 4.076 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -28.530 2.532 -6.432 1.00 0.00 H new ATOM 15 N THR A 53 -27.211 3.363 -9.525 1.00 0.00 N ATOM 16 CA THR A 53 -26.703 2.439 -10.552 1.00 0.00 C ATOM 17 C THR A 53 -25.225 2.140 -10.057 1.00 0.00 C ATOM 18 O THR A 53 -24.249 2.867 -10.262 1.00 0.00 O ATOM 19 CB THR A 53 -26.646 3.057 -11.952 1.00 0.00 C ATOM 20 OG1 THR A 53 -27.868 3.681 -12.326 1.00 0.00 O ATOM 21 CG2 THR A 53 -26.310 2.000 -12.999 1.00 0.00 C ATOM 0 H THR A 53 -26.523 4.056 -9.230 1.00 0.00 H new ATOM 0 HA THR A 53 -27.348 1.566 -10.651 1.00 0.00 H new ATOM 0 HB THR A 53 -25.865 3.817 -11.911 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.780 4.061 -13.225 1.00 0.00 H new ATOM 0 HG21 THR A 53 -26.275 2.463 -13.985 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.340 1.558 -12.771 1.00 0.00 H new ATOM 0 HG23 THR A 53 -27.074 1.223 -12.990 1.00 0.00 H new ATOM 29 N TRP A 54 -25.204 1.012 -9.402 1.00 0.00 N ATOM 30 CA TRP A 54 -24.082 0.501 -8.578 1.00 0.00 C ATOM 31 C TRP A 54 -22.807 -0.029 -9.276 1.00 0.00 C ATOM 32 O TRP A 54 -21.736 -0.029 -8.675 1.00 0.00 O ATOM 33 CB TRP A 54 -24.782 -0.447 -7.595 1.00 0.00 C ATOM 34 CG TRP A 54 -23.979 -1.464 -6.790 1.00 0.00 C ATOM 35 CD1 TRP A 54 -23.938 -2.850 -6.998 1.00 0.00 C ATOM 36 CD2 TRP A 54 -23.070 -1.204 -5.805 1.00 0.00 C ATOM 37 NE1 TRP A 54 -23.016 -3.473 -6.136 1.00 0.00 N ATOM 38 CE2 TRP A 54 -22.468 -2.419 -5.412 1.00 0.00 C ATOM 39 CE3 TRP A 54 -22.630 0.035 -5.303 1.00 0.00 C ATOM 40 CZ2 TRP A 54 -21.377 -2.387 -4.487 1.00 0.00 C ATOM 41 CZ3 TRP A 54 -21.578 0.054 -4.401 1.00 0.00 C ATOM 42 CH2 TRP A 54 -20.953 -1.150 -3.993 1.00 0.00 C ATOM 0 H TRP A 54 -25.998 0.372 -9.413 1.00 0.00 H new ATOM 0 HA TRP A 54 -23.562 1.324 -8.088 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -25.322 0.174 -6.880 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -25.528 -1.004 -8.162 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -24.538 -3.373 -7.728 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -22.800 -4.467 -6.060 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -23.103 0.954 -5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -20.891 -3.300 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -21.231 0.997 -4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -20.135 -1.112 -3.289 1.00 0.00 H new ATOM 53 N THR A 55 -22.967 -0.405 -10.530 1.00 0.00 N ATOM 54 CA THR A 55 -21.869 -0.723 -11.471 1.00 0.00 C ATOM 55 C THR A 55 -20.941 0.490 -11.826 1.00 0.00 C ATOM 56 O THR A 55 -19.737 0.277 -11.960 1.00 0.00 O ATOM 57 CB THR A 55 -22.409 -1.481 -12.711 1.00 0.00 C ATOM 58 OG1 THR A 55 -21.309 -1.950 -13.491 1.00 0.00 O ATOM 59 CG2 THR A 55 -23.324 -0.700 -13.638 1.00 0.00 C ATOM 0 H THR A 55 -23.890 -0.506 -10.952 1.00 0.00 H new ATOM 0 HA THR A 55 -21.196 -1.398 -10.943 1.00 0.00 H new ATOM 0 HB THR A 55 -23.020 -2.279 -12.289 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.646 -2.431 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.634 -1.338 -14.466 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.204 -0.368 -13.086 1.00 0.00 H new ATOM 0 HG23 THR A 55 -22.792 0.167 -14.028 1.00 0.00 H new ATOM 67 N GLY A 56 -21.478 1.720 -11.944 1.00 0.00 N ATOM 68 CA GLY A 56 -20.665 2.956 -12.037 1.00 0.00 C ATOM 69 C GLY A 56 -19.898 3.369 -10.755 1.00 0.00 C ATOM 70 O GLY A 56 -18.735 3.754 -10.844 1.00 0.00 O ATOM 0 H GLY A 56 -22.483 1.888 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.942 2.831 -12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -21.322 3.777 -12.323 1.00 0.00 H new ATOM 74 N VAL A 57 -20.542 3.268 -9.587 1.00 0.00 N ATOM 75 CA VAL A 57 -19.891 3.405 -8.241 1.00 0.00 C ATOM 76 C VAL A 57 -18.732 2.370 -8.003 1.00 0.00 C ATOM 77 O VAL A 57 -17.643 2.747 -7.567 1.00 0.00 O ATOM 78 CB VAL A 57 -20.939 3.216 -7.075 1.00 0.00 C ATOM 79 CG1 VAL A 57 -20.415 3.757 -5.728 1.00 0.00 C ATOM 80 CG2 VAL A 57 -22.322 3.825 -7.330 1.00 0.00 C ATOM 0 H VAL A 57 -21.544 3.087 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 57 -19.474 4.412 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.065 2.134 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.170 3.605 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -19.503 3.227 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -20.201 4.822 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -22.965 3.640 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.223 4.899 -7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -22.762 3.369 -8.217 1.00 0.00 H new ATOM 90 N GLU A 58 -19.020 1.101 -8.319 1.00 0.00 N ATOM 91 CA GLU A 58 -18.030 0.008 -8.379 1.00 0.00 C ATOM 92 C GLU A 58 -16.833 0.287 -9.332 1.00 0.00 C ATOM 93 O GLU A 58 -15.691 0.167 -8.901 1.00 0.00 O ATOM 94 CB GLU A 58 -18.772 -1.280 -8.818 1.00 0.00 C ATOM 95 CG GLU A 58 -19.462 -2.037 -7.676 1.00 0.00 C ATOM 96 CD GLU A 58 -20.105 -3.327 -8.183 1.00 0.00 C ATOM 97 OE1 GLU A 58 -21.153 -3.258 -8.864 1.00 0.00 O ATOM 98 OE2 GLU A 58 -19.556 -4.419 -7.916 1.00 0.00 O ATOM 0 H GLU A 58 -19.966 0.795 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.590 -0.095 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.520 -1.016 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.059 -1.948 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.735 -2.270 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.222 -1.402 -7.221 1.00 0.00 H new ATOM 105 N ALA A 59 -17.105 0.705 -10.572 1.00 0.00 N ATOM 106 CA ALA A 59 -16.085 1.182 -11.526 1.00 0.00 C ATOM 107 C ALA A 59 -15.177 2.352 -11.057 1.00 0.00 C ATOM 108 O ALA A 59 -13.993 2.340 -11.399 1.00 0.00 O ATOM 109 CB ALA A 59 -16.891 1.577 -12.769 1.00 0.00 C ATOM 0 H ALA A 59 -18.051 0.724 -10.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.355 0.388 -11.685 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.214 1.947 -13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -17.429 0.707 -13.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.604 2.359 -12.507 1.00 0.00 H new ATOM 115 N LEU A 60 -15.692 3.304 -10.250 1.00 0.00 N ATOM 116 CA LEU A 60 -14.850 4.327 -9.579 1.00 0.00 C ATOM 117 C LEU A 60 -13.868 3.730 -8.523 1.00 0.00 C ATOM 118 O LEU A 60 -12.692 4.100 -8.563 1.00 0.00 O ATOM 119 CB LEU A 60 -15.726 5.419 -8.906 1.00 0.00 C ATOM 120 CG LEU A 60 -16.579 6.286 -9.862 1.00 0.00 C ATOM 121 CD1 LEU A 60 -17.593 7.116 -9.051 1.00 0.00 C ATOM 122 CD2 LEU A 60 -15.736 7.221 -10.739 1.00 0.00 C ATOM 0 H LEU A 60 -16.688 3.388 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.246 4.770 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.394 4.934 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.074 6.078 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.097 5.599 -10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.191 7.724 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.247 6.447 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.059 7.765 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.392 7.802 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.162 7.896 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.054 6.630 -11.350 1.00 0.00 H new ATOM 134 N ILE A 61 -14.307 2.810 -7.637 1.00 0.00 N ATOM 135 CA ILE A 61 -13.380 2.135 -6.681 1.00 0.00 C ATOM 136 C ILE A 61 -12.396 1.098 -7.331 1.00 0.00 C ATOM 137 O ILE A 61 -11.328 0.895 -6.751 1.00 0.00 O ATOM 138 CB ILE A 61 -14.088 1.515 -5.412 1.00 0.00 C ATOM 139 CG1 ILE A 61 -15.271 0.614 -5.780 1.00 0.00 C ATOM 140 CG2 ILE A 61 -14.533 2.657 -4.460 1.00 0.00 C ATOM 141 CD1 ILE A 61 -15.863 -0.230 -4.660 1.00 0.00 C ATOM 0 H ILE A 61 -15.280 2.516 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.767 2.967 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 61 -13.366 0.876 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.063 1.242 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -14.953 -0.056 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -15.022 2.231 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.660 3.230 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.230 3.314 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -16.692 -0.821 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.097 -0.896 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.225 0.422 -3.865 1.00 0.00 H new ATOM 153 N ARG A 62 -12.693 0.508 -8.510 1.00 0.00 N ATOM 154 CA ARG A 62 -11.702 -0.306 -9.271 1.00 0.00 C ATOM 155 C ARG A 62 -10.522 0.528 -9.877 1.00 0.00 C ATOM 156 O ARG A 62 -9.394 0.035 -9.858 1.00 0.00 O ATOM 157 CB ARG A 62 -12.343 -1.130 -10.427 1.00 0.00 C ATOM 158 CG ARG A 62 -13.554 -1.986 -10.029 1.00 0.00 C ATOM 159 CD ARG A 62 -13.755 -3.240 -10.886 1.00 0.00 C ATOM 160 NE ARG A 62 -14.953 -3.997 -10.443 1.00 0.00 N ATOM 161 CZ ARG A 62 -16.213 -3.770 -10.857 1.00 0.00 C ATOM 162 NH1 ARG A 62 -16.549 -2.844 -11.744 1.00 0.00 N ATOM 163 NH2 ARG A 62 -17.172 -4.508 -10.346 1.00 0.00 N ATOM 0 H ARG A 62 -13.606 0.576 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.306 -0.980 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.648 -0.442 -11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.581 -1.783 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.443 -2.287 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.453 -1.372 -10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.865 -2.956 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.872 -3.876 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.809 -4.750 -9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.831 -2.250 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.526 -2.726 -12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.950 -5.227 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.138 -4.362 -10.638 1.00 0.00 H new ATOM 177 N ILE A 63 -10.763 1.757 -10.373 1.00 0.00 N ATOM 178 CA ILE A 63 -9.669 2.698 -10.752 1.00 0.00 C ATOM 179 C ILE A 63 -8.857 3.191 -9.497 1.00 0.00 C ATOM 180 O ILE A 63 -7.631 3.246 -9.586 1.00 0.00 O ATOM 181 CB ILE A 63 -10.242 3.890 -11.590 1.00 0.00 C ATOM 182 CG1 ILE A 63 -10.957 3.460 -12.908 1.00 0.00 C ATOM 183 CG2 ILE A 63 -9.140 4.923 -11.944 1.00 0.00 C ATOM 184 CD1 ILE A 63 -10.148 2.670 -13.932 1.00 0.00 C ATOM 0 H ILE A 63 -11.701 2.129 -10.524 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.960 2.158 -11.380 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.991 4.340 -10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.828 2.863 -12.637 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -11.328 4.361 -13.397 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.576 5.735 -12.526 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.709 5.324 -11.027 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.359 4.436 -12.529 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.775 2.442 -14.794 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.291 3.262 -14.253 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.799 1.741 -13.481 1.00 0.00 H new ATOM 196 N LEU A 64 -9.516 3.531 -8.376 1.00 0.00 N ATOM 197 CA LEU A 64 -8.828 3.968 -7.134 1.00 0.00 C ATOM 198 C LEU A 64 -7.894 2.904 -6.473 1.00 0.00 C ATOM 199 O LEU A 64 -6.811 3.290 -6.024 1.00 0.00 O ATOM 200 CB LEU A 64 -9.859 4.473 -6.090 1.00 0.00 C ATOM 201 CG LEU A 64 -10.597 5.788 -6.445 1.00 0.00 C ATOM 202 CD1 LEU A 64 -11.784 5.999 -5.486 1.00 0.00 C ATOM 203 CD2 LEU A 64 -9.675 7.017 -6.395 1.00 0.00 C ATOM 0 H LEU A 64 -10.533 3.513 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.170 4.775 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.604 3.692 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.345 4.614 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.952 5.686 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.298 6.926 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.477 5.163 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.418 6.058 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.245 7.910 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.266 7.124 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.860 6.889 -7.107 1.00 0.00 H new ATOM 215 N GLN A 65 -8.265 1.611 -6.446 1.00 0.00 N ATOM 216 CA GLN A 65 -7.327 0.528 -6.037 1.00 0.00 C ATOM 217 C GLN A 65 -6.203 0.205 -7.072 1.00 0.00 C ATOM 218 O GLN A 65 -5.106 -0.150 -6.642 1.00 0.00 O ATOM 219 CB GLN A 65 -8.151 -0.711 -5.616 1.00 0.00 C ATOM 220 CG GLN A 65 -8.974 -1.428 -6.696 1.00 0.00 C ATOM 221 CD GLN A 65 -8.315 -2.662 -7.302 1.00 0.00 C ATOM 222 OE1 GLN A 65 -7.591 -2.590 -8.291 1.00 0.00 O ATOM 223 NE2 GLN A 65 -8.553 -3.832 -6.739 1.00 0.00 N ATOM 0 H GLN A 65 -9.197 1.284 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.757 0.890 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.464 -1.437 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.834 -0.405 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.931 -1.722 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.188 -0.720 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.155 -3.890 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.135 -4.678 -7.126 1.00 0.00 H new ATOM 232 N GLN A 66 -6.449 0.370 -8.387 1.00 0.00 N ATOM 233 CA GLN A 66 -5.404 0.292 -9.445 1.00 0.00 C ATOM 234 C GLN A 66 -4.315 1.406 -9.358 1.00 0.00 C ATOM 235 O GLN A 66 -3.139 1.070 -9.430 1.00 0.00 O ATOM 236 CB GLN A 66 -6.127 0.334 -10.819 1.00 0.00 C ATOM 237 CG GLN A 66 -6.579 -1.046 -11.323 1.00 0.00 C ATOM 238 CD GLN A 66 -7.262 -0.985 -12.688 1.00 0.00 C ATOM 239 OE1 GLN A 66 -6.608 -0.966 -13.729 1.00 0.00 O ATOM 240 NE2 GLN A 66 -8.581 -0.957 -12.728 1.00 0.00 N ATOM 0 H GLN A 66 -7.381 0.562 -8.754 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.854 -0.639 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.997 0.985 -10.742 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.460 0.780 -11.557 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.714 -1.706 -11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.265 -1.485 -10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.118 -0.973 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.063 -0.919 -13.626 1.00 0.00 H new ATOM 249 N LEU A 67 -4.694 2.678 -9.158 1.00 0.00 N ATOM 250 CA LEU A 67 -3.747 3.793 -8.849 1.00 0.00 C ATOM 251 C LEU A 67 -2.884 3.643 -7.528 1.00 0.00 C ATOM 252 O LEU A 67 -1.786 4.192 -7.451 1.00 0.00 O ATOM 253 CB LEU A 67 -4.557 5.121 -8.740 1.00 0.00 C ATOM 254 CG LEU A 67 -5.201 5.640 -10.051 1.00 0.00 C ATOM 255 CD1 LEU A 67 -6.211 6.759 -9.724 1.00 0.00 C ATOM 256 CD2 LEU A 67 -4.163 6.159 -11.056 1.00 0.00 C ATOM 0 H LEU A 67 -5.668 2.977 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.030 3.780 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.347 4.981 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.894 5.896 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.707 4.795 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.663 7.123 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.989 6.367 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.696 7.579 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.670 6.510 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.605 6.982 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.476 5.354 -11.318 1.00 0.00 H new ATOM 268 N LEU A 68 -3.402 2.905 -6.549 1.00 0.00 N ATOM 269 CA LEU A 68 -2.727 2.504 -5.292 1.00 0.00 C ATOM 270 C LEU A 68 -1.710 1.349 -5.525 1.00 0.00 C ATOM 271 O LEU A 68 -0.567 1.447 -5.084 1.00 0.00 O ATOM 272 CB LEU A 68 -3.864 2.069 -4.312 1.00 0.00 C ATOM 273 CG LEU A 68 -4.031 2.958 -3.062 1.00 0.00 C ATOM 274 CD1 LEU A 68 -5.366 2.641 -2.361 1.00 0.00 C ATOM 275 CD2 LEU A 68 -2.876 2.797 -2.065 1.00 0.00 C ATOM 0 H LEU A 68 -4.355 2.545 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.144 3.330 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.807 2.057 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.670 1.047 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.025 3.992 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.474 3.274 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.191 2.831 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.379 1.594 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.045 3.445 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.824 1.760 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.938 3.071 -2.548 1.00 0.00 H new ATOM 287 N PHE A 69 -2.150 0.284 -6.225 1.00 0.00 N ATOM 288 CA PHE A 69 -1.278 -0.783 -6.782 1.00 0.00 C ATOM 289 C PHE A 69 -0.059 -0.242 -7.614 1.00 0.00 C ATOM 290 O PHE A 69 1.078 -0.651 -7.386 1.00 0.00 O ATOM 291 CB PHE A 69 -2.176 -1.677 -7.703 1.00 0.00 C ATOM 292 CG PHE A 69 -2.711 -2.963 -7.061 1.00 0.00 C ATOM 293 CD1 PHE A 69 -1.831 -3.934 -6.546 1.00 0.00 C ATOM 294 CD2 PHE A 69 -4.089 -3.228 -7.031 1.00 0.00 C ATOM 295 CE1 PHE A 69 -2.321 -5.119 -5.993 1.00 0.00 C ATOM 296 CE2 PHE A 69 -4.578 -4.412 -6.478 1.00 0.00 C ATOM 297 CZ PHE A 69 -3.693 -5.354 -5.959 1.00 0.00 C ATOM 0 H PHE A 69 -3.139 0.134 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.846 -1.335 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.024 -1.082 -8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.601 -1.947 -8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.766 -3.760 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.780 -2.506 -7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.637 -5.852 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.642 -4.598 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.072 -6.269 -5.529 1.00 0.00 H new ATOM 307 N ILE A 70 -0.351 0.700 -8.515 1.00 0.00 N ATOM 308 CA ILE A 70 0.627 1.521 -9.276 1.00 0.00 C ATOM 309 C ILE A 70 1.591 2.344 -8.361 1.00 0.00 C ATOM 310 O ILE A 70 2.799 2.306 -8.597 1.00 0.00 O ATOM 311 CB ILE A 70 -0.260 2.398 -10.262 1.00 0.00 C ATOM 312 CG1 ILE A 70 -0.792 1.481 -11.421 1.00 0.00 C ATOM 313 CG2 ILE A 70 0.504 3.591 -10.881 1.00 0.00 C ATOM 314 CD1 ILE A 70 -1.839 2.110 -12.339 1.00 0.00 C ATOM 0 H ILE A 70 -1.316 0.930 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 70 1.330 0.904 -9.836 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.075 2.814 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.056 1.168 -12.030 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.218 0.580 -10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.162 4.145 -11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.857 4.249 -10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.356 3.221 -11.451 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.135 1.389 -13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.712 2.397 -11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.418 2.994 -12.819 1.00 0.00 H new ATOM 326 N HIS A 71 1.074 3.045 -7.338 1.00 0.00 N ATOM 327 CA HIS A 71 1.900 3.733 -6.305 1.00 0.00 C ATOM 328 C HIS A 71 2.852 2.799 -5.491 1.00 0.00 C ATOM 329 O HIS A 71 3.986 3.207 -5.235 1.00 0.00 O ATOM 330 CB HIS A 71 0.910 4.518 -5.383 1.00 0.00 C ATOM 331 CG HIS A 71 1.521 5.394 -4.293 1.00 0.00 C ATOM 332 ND1 HIS A 71 1.781 6.754 -4.387 1.00 0.00 N ATOM 333 CD2 HIS A 71 1.942 4.920 -3.036 1.00 0.00 C ATOM 334 CE1 HIS A 71 2.338 7.010 -3.165 1.00 0.00 C ATOM 335 NE2 HIS A 71 2.481 5.965 -2.287 1.00 0.00 N ATOM 0 H HIS A 71 0.070 3.157 -7.195 1.00 0.00 H new ATOM 0 HA HIS A 71 2.596 4.404 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.288 5.151 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.248 3.796 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.859 3.897 -2.701 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.657 8.007 -2.898 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.874 5.955 -1.346 1.00 0.00 H new ATOM 344 N PHE A 72 2.426 1.580 -5.123 1.00 0.00 N ATOM 345 CA PHE A 72 3.324 0.567 -4.508 1.00 0.00 C ATOM 346 C PHE A 72 4.393 -0.044 -5.480 1.00 0.00 C ATOM 347 O PHE A 72 5.517 -0.269 -5.036 1.00 0.00 O ATOM 348 CB PHE A 72 2.506 -0.602 -3.889 1.00 0.00 C ATOM 349 CG PHE A 72 1.518 -0.241 -2.764 1.00 0.00 C ATOM 350 CD1 PHE A 72 1.926 0.480 -1.626 1.00 0.00 C ATOM 351 CD2 PHE A 72 0.180 -0.657 -2.848 1.00 0.00 C ATOM 352 CE1 PHE A 72 1.013 0.794 -0.617 1.00 0.00 C ATOM 353 CE2 PHE A 72 -0.730 -0.344 -1.838 1.00 0.00 C ATOM 354 CZ PHE A 72 -0.312 0.382 -0.724 1.00 0.00 C ATOM 0 H PHE A 72 1.463 1.263 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 72 3.865 1.122 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.947 -1.086 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.208 -1.339 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.955 0.793 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.149 -1.226 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.335 1.357 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.758 -0.664 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.017 0.625 0.057 1.00 0.00 H new ATOM 364 N ARG A 73 4.053 -0.293 -6.753 1.00 0.00 N ATOM 365 CA ARG A 73 4.998 -0.823 -7.775 1.00 0.00 C ATOM 366 C ARG A 73 6.116 0.195 -8.187 1.00 0.00 C ATOM 367 O ARG A 73 7.292 -0.176 -8.179 1.00 0.00 O ATOM 368 CB ARG A 73 4.189 -1.255 -9.034 1.00 0.00 C ATOM 369 CG ARG A 73 3.300 -2.501 -8.828 1.00 0.00 C ATOM 370 CD ARG A 73 2.221 -2.612 -9.918 1.00 0.00 C ATOM 371 NE ARG A 73 1.294 -3.725 -9.614 1.00 0.00 N ATOM 372 CZ ARG A 73 0.102 -3.907 -10.204 1.00 0.00 C ATOM 373 NH1 ARG A 73 -0.392 -3.110 -11.143 1.00 0.00 N ATOM 374 NH2 ARG A 73 -0.621 -4.938 -9.829 1.00 0.00 N ATOM 0 H ARG A 73 3.113 -0.135 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 73 5.512 -1.673 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.559 -0.423 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.886 -1.452 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.921 -3.397 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.825 -2.452 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.666 -1.676 -9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.690 -2.776 -10.888 1.00 0.00 H new ATOM 0 HE ARG A 73 1.581 -4.401 -8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.143 -2.300 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.306 -3.307 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.272 -5.571 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.532 -5.105 -10.257 1.00 0.00 H new ATOM 388 N ILE A 74 5.747 1.446 -8.511 1.00 0.00 N ATOM 389 CA ILE A 74 6.706 2.540 -8.842 1.00 0.00 C ATOM 390 C ILE A 74 7.504 3.014 -7.577 1.00 0.00 C ATOM 391 O ILE A 74 8.720 3.176 -7.690 1.00 0.00 O ATOM 392 CB ILE A 74 5.945 3.729 -9.542 1.00 0.00 C ATOM 393 CG1 ILE A 74 5.174 3.325 -10.839 1.00 0.00 C ATOM 394 CG2 ILE A 74 6.886 4.913 -9.891 1.00 0.00 C ATOM 395 CD1 ILE A 74 5.971 2.730 -11.996 1.00 0.00 C ATOM 0 H ILE A 74 4.771 1.739 -8.554 1.00 0.00 H new ATOM 0 HA ILE A 74 7.446 2.152 -9.542 1.00 0.00 H new ATOM 0 HB ILE A 74 5.215 4.036 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.406 2.604 -10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.660 4.211 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.311 5.705 -10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.341 5.297 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.667 4.569 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.298 2.501 -12.822 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.722 3.447 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.464 1.815 -11.666 1.00 0.00 H new ATOM 407 N GLY A 75 6.849 3.197 -6.413 1.00 0.00 N ATOM 408 CA GLY A 75 7.546 3.436 -5.131 1.00 0.00 C ATOM 409 C GLY A 75 8.490 2.345 -4.589 1.00 0.00 C ATOM 410 O GLY A 75 9.401 2.700 -3.842 1.00 0.00 O ATOM 0 H GLY A 75 5.832 3.184 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.126 4.353 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.787 3.624 -4.372 1.00 0.00 H new ATOM 414 N CYS A 76 8.298 1.061 -4.947 1.00 0.00 N ATOM 415 CA CYS A 76 9.294 -0.011 -4.661 1.00 0.00 C ATOM 416 C CYS A 76 10.625 0.132 -5.468 1.00 0.00 C ATOM 417 O CYS A 76 11.704 0.026 -4.882 1.00 0.00 O ATOM 418 CB CYS A 76 8.633 -1.363 -5.009 1.00 0.00 C ATOM 419 SG CYS A 76 9.609 -2.751 -4.345 1.00 0.00 S ATOM 0 H CYS A 76 7.465 0.732 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 76 9.570 0.062 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.623 -1.395 -4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.543 -1.461 -6.091 1.00 0.00 H new ATOM 0 HG CYS A 76 9.030 -3.874 -4.650 1.00 0.00 H new ATOM 425 N ARG A 77 10.526 0.395 -6.785 1.00 0.00 N ATOM 426 CA ARG A 77 11.696 0.774 -7.622 1.00 0.00 C ATOM 427 C ARG A 77 12.207 2.262 -7.529 1.00 0.00 C ATOM 428 O ARG A 77 13.080 2.650 -8.309 1.00 0.00 O ATOM 429 CB ARG A 77 11.429 0.353 -9.095 1.00 0.00 C ATOM 430 CG ARG A 77 10.309 1.106 -9.834 1.00 0.00 C ATOM 431 CD ARG A 77 10.151 0.717 -11.311 1.00 0.00 C ATOM 432 NE ARG A 77 11.242 1.262 -12.149 1.00 0.00 N ATOM 433 CZ ARG A 77 11.340 1.093 -13.476 1.00 0.00 C ATOM 434 NH1 ARG A 77 10.465 0.414 -14.205 1.00 0.00 N ATOM 435 NH2 ARG A 77 12.367 1.635 -14.092 1.00 0.00 N ATOM 0 H ARG A 77 9.647 0.353 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 77 12.532 0.222 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.354 0.479 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.190 -0.711 -9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.365 0.924 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.505 2.176 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.134 -0.369 -11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.193 1.082 -11.681 1.00 0.00 H new ATOM 0 HE ARG A 77 11.971 1.804 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.656 -0.019 -13.759 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.601 0.324 -15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.059 2.165 -13.561 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.472 1.526 -15.101 1.00 0.00 H new ATOM 449 N HIS A 78 11.715 3.030 -6.551 1.00 0.00 N ATOM 450 CA HIS A 78 12.236 4.372 -6.189 1.00 0.00 C ATOM 451 C HIS A 78 12.929 4.274 -4.798 1.00 0.00 C ATOM 452 O HIS A 78 14.158 4.295 -4.717 1.00 0.00 O ATOM 453 CB HIS A 78 11.093 5.387 -6.418 1.00 0.00 C ATOM 454 CG HIS A 78 11.497 6.853 -6.212 1.00 0.00 C ATOM 455 ND1 HIS A 78 11.255 7.551 -5.036 1.00 0.00 N ATOM 456 CD2 HIS A 78 12.163 7.695 -7.134 1.00 0.00 C ATOM 457 CE1 HIS A 78 11.808 8.763 -5.345 1.00 0.00 C ATOM 458 NE2 HIS A 78 12.371 8.943 -6.580 1.00 0.00 N ATOM 0 H HIS A 78 10.928 2.739 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 78 13.041 4.759 -6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.714 5.266 -7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.272 5.150 -5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.465 7.403 -8.129 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.801 9.567 -4.624 1.00 0.00 H new ATOM 0 HE2 HIS A 78 12.819 9.768 -6.979 1.00 0.00 H new ATOM 467 N SER A 79 12.116 4.130 -3.740 1.00 0.00 N ATOM 468 CA SER A 79 12.585 3.807 -2.378 1.00 0.00 C ATOM 469 C SER A 79 12.598 2.272 -2.149 1.00 0.00 C ATOM 470 O SER A 79 11.638 1.576 -2.489 1.00 0.00 O ATOM 471 CB SER A 79 11.663 4.504 -1.339 1.00 0.00 C ATOM 472 OG SER A 79 10.314 4.035 -1.373 1.00 0.00 O ATOM 0 H SER A 79 11.103 4.235 -3.804 1.00 0.00 H new ATOM 0 HA SER A 79 13.605 4.171 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.070 4.346 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.671 5.579 -1.520 1.00 0.00 H new ATOM 0 HG SER A 79 10.149 3.573 -2.222 1.00 0.00 H new ATOM 478 N ARG A 80 13.681 1.777 -1.532 1.00 0.00 N ATOM 479 CA ARG A 80 13.884 0.338 -1.179 1.00 0.00 C ATOM 480 C ARG A 80 14.278 -0.505 -2.448 1.00 0.00 C ATOM 481 O ARG A 80 13.559 -1.418 -2.865 1.00 0.00 O ATOM 482 CB ARG A 80 12.698 -0.328 -0.417 1.00 0.00 C ATOM 483 CG ARG A 80 12.196 0.398 0.845 1.00 0.00 C ATOM 484 CD ARG A 80 10.688 0.219 1.104 1.00 0.00 C ATOM 485 NE ARG A 80 9.883 0.952 0.096 1.00 0.00 N ATOM 486 CZ ARG A 80 8.555 0.853 -0.044 1.00 0.00 C ATOM 487 NH1 ARG A 80 7.776 0.141 0.756 1.00 0.00 N ATOM 488 NH2 ARG A 80 7.993 1.506 -1.035 1.00 0.00 N ATOM 0 H ARG A 80 14.465 2.367 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 80 14.712 0.339 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.861 -0.427 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.999 -1.337 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 80 12.750 0.031 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 80 12.416 1.462 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.434 -0.841 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.442 0.580 2.103 1.00 0.00 H new ATOM 0 HE ARG A 80 10.379 1.579 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.182 -0.375 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.770 0.109 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.566 2.065 -1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.984 1.454 -1.173 1.00 0.00 H new ATOM 502 N ILE A 81 15.454 -0.196 -3.021 1.00 0.00 N ATOM 503 CA ILE A 81 15.994 -0.906 -4.222 1.00 0.00 C ATOM 504 C ILE A 81 16.970 -2.016 -3.714 1.00 0.00 C ATOM 505 O ILE A 81 16.650 -3.206 -3.716 1.00 0.00 O ATOM 506 CB ILE A 81 16.582 0.108 -5.281 1.00 0.00 C ATOM 507 CG1 ILE A 81 15.502 1.120 -5.778 1.00 0.00 C ATOM 508 CG2 ILE A 81 17.151 -0.656 -6.507 1.00 0.00 C ATOM 509 CD1 ILE A 81 16.063 2.310 -6.560 1.00 0.00 C ATOM 0 H ILE A 81 16.063 0.546 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 81 15.209 -1.408 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 81 17.377 0.662 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.788 0.590 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.949 1.495 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 81 17.552 0.058 -7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.945 -1.327 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.356 -1.236 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 81 15.245 2.962 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.754 2.868 -5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 81 16.590 1.949 -7.443 1.00 0.00 H new ATOM 521 N GLY A 82 18.125 -1.536 -3.277 1.00 0.00 N ATOM 522 CA GLY A 82 19.128 -2.312 -2.535 1.00 0.00 C ATOM 523 C GLY A 82 19.777 -1.396 -1.487 1.00 0.00 C ATOM 524 O GLY A 82 20.909 -0.946 -1.674 1.00 0.00 O ATOM 0 H GLY A 82 18.406 -0.567 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.661 -3.170 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.884 -2.703 -3.216 1.00 0.00 H new ATOM 528 N ILE A 83 19.016 -1.100 -0.416 1.00 0.00 N ATOM 529 CA ILE A 83 19.340 -0.065 0.613 1.00 0.00 C ATOM 530 C ILE A 83 19.366 1.338 -0.060 1.00 0.00 C ATOM 531 O ILE A 83 20.419 1.938 -0.283 1.00 0.00 O ATOM 532 CB ILE A 83 20.547 -0.466 1.509 1.00 0.00 C ATOM 533 CG1 ILE A 83 20.213 -1.793 2.269 1.00 0.00 C ATOM 534 CG2 ILE A 83 20.970 0.625 2.517 1.00 0.00 C ATOM 535 CD1 ILE A 83 19.157 -1.767 3.372 1.00 0.00 C ATOM 0 H ILE A 83 18.136 -1.579 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 83 18.550 0.002 1.361 1.00 0.00 H new ATOM 0 HB ILE A 83 21.397 -0.604 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 83 19.897 -2.527 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 83 21.139 -2.163 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 83 21.817 0.269 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 83 21.256 1.528 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 83 20.136 0.849 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 83 19.048 -2.766 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 83 19.465 -1.074 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.203 -1.443 2.955 1.00 0.00 H new ATOM 547 N ILE A 84 18.153 1.796 -0.403 1.00 0.00 N ATOM 548 CA ILE A 84 17.861 3.186 -0.847 1.00 0.00 C ATOM 549 C ILE A 84 16.675 3.638 0.078 1.00 0.00 C ATOM 550 O ILE A 84 15.533 3.812 -0.350 1.00 0.00 O ATOM 551 CB ILE A 84 17.593 3.204 -2.372 1.00 0.00 C ATOM 552 CG1 ILE A 84 18.880 2.863 -3.189 1.00 0.00 C ATOM 553 CG2 ILE A 84 17.036 4.543 -2.909 1.00 0.00 C ATOM 554 CD1 ILE A 84 20.094 3.781 -3.075 1.00 0.00 C ATOM 0 H ILE A 84 17.322 1.204 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 84 18.680 3.896 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 84 16.828 2.440 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.197 1.861 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.599 2.818 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.878 4.466 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.089 4.766 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 84 17.748 5.342 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 84 20.898 3.401 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 84 19.823 4.785 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.430 3.814 -2.038 1.00 0.00 H new ATOM 566 N GLN A 85 16.983 3.757 1.379 1.00 0.00 N ATOM 567 CA GLN A 85 15.971 3.948 2.455 1.00 0.00 C ATOM 568 C GLN A 85 16.615 4.645 3.690 1.00 0.00 C ATOM 569 O GLN A 85 16.162 5.731 4.054 1.00 0.00 O ATOM 570 CB GLN A 85 15.225 2.623 2.775 1.00 0.00 C ATOM 571 CG GLN A 85 16.072 1.424 3.245 1.00 0.00 C ATOM 572 CD GLN A 85 15.371 0.081 3.070 1.00 0.00 C ATOM 573 OE1 GLN A 85 15.466 -0.550 2.020 1.00 0.00 O ATOM 574 NE2 GLN A 85 14.668 -0.397 4.080 1.00 0.00 N ATOM 0 H GLN A 85 17.942 3.725 1.726 1.00 0.00 H new ATOM 0 HA GLN A 85 15.193 4.625 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.483 2.833 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.680 2.320 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.010 1.411 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.326 1.558 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.595 0.135 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.198 -1.298 3.993 1.00 0.00 H new ATOM 583 N GLN A 86 17.655 4.053 4.310 1.00 0.00 N ATOM 584 CA GLN A 86 18.492 4.737 5.341 1.00 0.00 C ATOM 585 C GLN A 86 19.623 5.505 4.603 1.00 0.00 C ATOM 586 O GLN A 86 19.620 6.738 4.622 1.00 0.00 O ATOM 587 CB GLN A 86 18.953 3.677 6.366 1.00 0.00 C ATOM 588 CG GLN A 86 19.677 4.201 7.619 1.00 0.00 C ATOM 589 CD GLN A 86 21.191 4.391 7.534 1.00 0.00 C ATOM 590 OE1 GLN A 86 21.868 4.047 6.566 1.00 0.00 O ATOM 591 NE2 GLN A 86 21.783 4.923 8.584 1.00 0.00 N ATOM 0 H GLN A 86 17.945 3.094 4.119 1.00 0.00 H new ATOM 0 HA GLN A 86 17.954 5.487 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.079 3.112 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.615 2.976 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.233 5.159 7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.470 3.513 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.229 5.211 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.795 5.047 8.590 1.00 0.00 H new ATOM 600 N ARG A 87 20.530 4.785 3.912 1.00 0.00 N ATOM 601 CA ARG A 87 21.507 5.395 2.989 1.00 0.00 C ATOM 602 C ARG A 87 20.870 5.456 1.579 1.00 0.00 C ATOM 603 O ARG A 87 20.548 4.422 0.990 1.00 0.00 O ATOM 604 CB ARG A 87 22.808 4.554 3.029 1.00 0.00 C ATOM 605 CG ARG A 87 23.998 5.129 2.233 1.00 0.00 C ATOM 606 CD ARG A 87 24.079 4.639 0.782 1.00 0.00 C ATOM 607 NE ARG A 87 25.145 5.361 0.056 1.00 0.00 N ATOM 608 CZ ARG A 87 25.398 5.225 -1.255 1.00 0.00 C ATOM 609 NH1 ARG A 87 24.762 4.374 -2.048 1.00 0.00 N ATOM 610 NH2 ARG A 87 26.332 5.983 -1.784 1.00 0.00 N ATOM 0 H ARG A 87 20.605 3.770 3.978 1.00 0.00 H new ATOM 0 HA ARG A 87 21.767 6.414 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 87 23.112 4.437 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 87 22.587 3.557 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 87 23.930 6.217 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 87 24.924 4.867 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 87 24.278 3.568 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 87 23.122 4.794 0.285 1.00 0.00 H new ATOM 0 HE ARG A 87 25.728 6.007 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 87 24.031 3.772 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 87 25.004 4.321 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 87 26.839 6.649 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 87 26.550 5.905 -2.777 1.00 0.00 H new ATOM 624 N ARG A 88 20.730 6.675 1.052 1.00 0.00 N ATOM 625 CA ARG A 88 20.357 6.916 -0.370 1.00 0.00 C ATOM 626 C ARG A 88 21.664 7.309 -1.113 1.00 0.00 C ATOM 627 O ARG A 88 22.197 6.478 -1.853 1.00 0.00 O ATOM 628 CB ARG A 88 19.207 7.947 -0.444 1.00 0.00 C ATOM 629 CG ARG A 88 17.834 7.342 -0.070 1.00 0.00 C ATOM 630 CD ARG A 88 16.924 8.243 0.773 1.00 0.00 C ATOM 631 NE ARG A 88 17.374 8.302 2.182 1.00 0.00 N ATOM 632 CZ ARG A 88 16.662 8.827 3.189 1.00 0.00 C ATOM 633 NH1 ARG A 88 15.465 9.379 3.042 1.00 0.00 N ATOM 634 NH2 ARG A 88 17.177 8.790 4.395 1.00 0.00 N ATOM 0 H ARG A 88 20.869 7.532 1.588 1.00 0.00 H new ATOM 0 HA ARG A 88 19.953 6.035 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 88 19.427 8.778 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 88 19.156 8.356 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.308 7.082 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.002 6.413 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.913 9.248 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.901 7.869 0.732 1.00 0.00 H new ATOM 0 HE ARG A 88 18.292 7.915 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.033 9.422 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.976 9.761 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.094 8.370 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.660 9.181 5.183 1.00 0.00 H new ATOM 648 N THR A 89 22.184 8.526 -0.883 1.00 0.00 N ATOM 649 CA THR A 89 23.552 8.935 -1.311 1.00 0.00 C ATOM 650 C THR A 89 24.426 9.180 -0.032 1.00 0.00 C ATOM 651 O THR A 89 25.484 8.557 0.096 1.00 0.00 O ATOM 652 CB THR A 89 23.525 10.086 -2.344 1.00 0.00 C ATOM 653 OG1 THR A 89 24.863 10.360 -2.754 1.00 0.00 O ATOM 654 CG2 THR A 89 22.901 11.414 -1.932 1.00 0.00 C ATOM 0 H THR A 89 21.675 9.263 -0.395 1.00 0.00 H new ATOM 0 HA THR A 89 24.036 8.133 -1.868 1.00 0.00 H new ATOM 0 HB THR A 89 22.869 9.702 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 89 24.861 11.087 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 89 22.959 12.117 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 89 21.857 11.257 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 89 23.441 11.820 -1.076 1.00 0.00 H new ATOM 662 N ARG A 90 23.970 10.027 0.907 1.00 0.00 N ATOM 663 CA ARG A 90 24.578 10.185 2.256 1.00 0.00 C ATOM 664 C ARG A 90 23.970 9.139 3.238 1.00 0.00 C ATOM 665 O ARG A 90 22.794 8.771 3.134 1.00 0.00 O ATOM 666 CB ARG A 90 24.297 11.654 2.644 1.00 0.00 C ATOM 667 CG ARG A 90 25.050 12.260 3.835 1.00 0.00 C ATOM 668 CD ARG A 90 24.403 12.017 5.203 1.00 0.00 C ATOM 669 NE ARG A 90 24.905 13.015 6.173 1.00 0.00 N ATOM 670 CZ ARG A 90 24.649 13.001 7.486 1.00 0.00 C ATOM 671 NH1 ARG A 90 24.048 12.003 8.117 1.00 0.00 N ATOM 672 NH2 ARG A 90 25.025 14.045 8.190 1.00 0.00 N ATOM 0 H ARG A 90 23.162 10.631 0.757 1.00 0.00 H new ATOM 0 HA ARG A 90 25.651 9.995 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 90 24.508 12.272 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 90 23.230 11.743 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 90 26.061 11.853 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 90 25.141 13.335 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 90 23.318 12.088 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 90 24.631 11.010 5.551 1.00 0.00 H new ATOM 0 HE ARG A 90 25.490 13.770 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.749 11.178 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.885 12.060 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 90 25.494 14.827 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 90 24.848 14.073 9.194 1.00 0.00 H new ATOM 686 N ASN A 91 24.788 8.647 4.183 1.00 0.00 N ATOM 687 CA ASN A 91 24.359 7.608 5.163 1.00 0.00 C ATOM 688 C ASN A 91 23.589 8.248 6.354 1.00 0.00 C ATOM 689 O ASN A 91 24.158 9.038 7.113 1.00 0.00 O ATOM 690 CB ASN A 91 25.631 6.850 5.624 1.00 0.00 C ATOM 691 CG ASN A 91 25.353 5.564 6.406 1.00 0.00 C ATOM 692 OD1 ASN A 91 25.051 4.522 5.830 1.00 0.00 O ATOM 693 ND2 ASN A 91 25.457 5.594 7.721 1.00 0.00 N ATOM 0 H ASN A 91 25.756 8.947 4.298 1.00 0.00 H new ATOM 0 HA ASN A 91 23.664 6.906 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 91 26.231 6.605 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.231 7.516 6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 91 25.286 4.749 8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 91 25.708 6.463 8.193 1.00 0.00 H new ATOM 700 N GLY A 92 22.305 7.888 6.498 1.00 0.00 N ATOM 701 CA GLY A 92 21.424 8.456 7.541 1.00 0.00 C ATOM 702 C GLY A 92 20.345 9.354 6.932 1.00 0.00 C ATOM 703 O GLY A 92 19.231 8.892 6.675 1.00 0.00 O ATOM 0 H GLY A 92 21.846 7.200 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 92 20.953 7.648 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 92 22.020 9.031 8.250 1.00 0.00 H new ATOM 707 N ALA A 93 20.698 10.626 6.694 1.00 0.00 N ATOM 708 CA ALA A 93 19.857 11.559 5.904 1.00 0.00 C ATOM 709 C ALA A 93 20.033 11.339 4.373 1.00 0.00 C ATOM 710 O ALA A 93 21.030 10.765 3.928 1.00 0.00 O ATOM 711 CB ALA A 93 20.271 12.988 6.296 1.00 0.00 C ATOM 0 H ALA A 93 21.564 11.041 7.037 1.00 0.00 H new ATOM 0 HA ALA A 93 18.804 11.383 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.674 13.707 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.107 13.134 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.326 13.137 6.068 1.00 0.00 H new ATOM 717 N SER A 94 19.070 11.822 3.565 1.00 0.00 N ATOM 718 CA SER A 94 19.135 11.703 2.077 1.00 0.00 C ATOM 719 C SER A 94 20.384 12.404 1.462 1.00 0.00 C ATOM 720 O SER A 94 21.209 11.712 0.862 1.00 0.00 O ATOM 721 CB SER A 94 17.807 12.214 1.478 1.00 0.00 C ATOM 722 OG SER A 94 17.750 11.945 0.080 1.00 0.00 O ATOM 0 H SER A 94 18.236 12.299 3.907 1.00 0.00 H new ATOM 0 HA SER A 94 19.260 10.652 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.967 11.734 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.712 13.286 1.652 1.00 0.00 H new ATOM 0 HG SER A 94 16.901 12.274 -0.282 1.00 0.00 H new ATOM 728 N LYS A 95 20.534 13.728 1.653 1.00 0.00 N ATOM 729 CA LYS A 95 21.789 14.447 1.329 1.00 0.00 C ATOM 730 C LYS A 95 21.946 15.548 2.415 1.00 0.00 C ATOM 731 O LYS A 95 21.227 16.554 2.401 1.00 0.00 O ATOM 732 CB LYS A 95 21.763 15.021 -0.108 1.00 0.00 C ATOM 733 CG LYS A 95 23.145 15.333 -0.726 1.00 0.00 C ATOM 734 CD LYS A 95 23.929 16.469 -0.058 1.00 0.00 C ATOM 735 CE LYS A 95 25.270 16.756 -0.745 1.00 0.00 C ATOM 736 NZ LYS A 95 26.020 17.771 0.027 1.00 0.00 N ATOM 0 H LYS A 95 19.800 14.327 2.032 1.00 0.00 H new ATOM 0 HA LYS A 95 22.649 13.777 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.247 14.311 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.171 15.936 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 95 23.751 14.428 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.005 15.582 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 95 23.322 17.375 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 95 24.109 16.214 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.854 15.839 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.100 17.111 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 26.928 17.963 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 25.465 18.649 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.195 17.416 0.989 1.00 0.00 H new ATOM 750 N SER A 96 22.908 15.347 3.327 1.00 0.00 N ATOM 751 CA SER A 96 23.336 16.387 4.288 1.00 0.00 C ATOM 752 C SER A 96 24.884 16.376 4.311 1.00 0.00 C ATOM 753 O SER A 96 25.480 16.943 3.397 1.00 0.00 O ATOM 754 CB SER A 96 22.679 16.136 5.658 1.00 0.00 C ATOM 755 OG SER A 96 23.085 17.121 6.603 1.00 0.00 O ATOM 756 OXT SER A 96 25.565 15.742 5.330 1.00 0.00 O ATOM 0 H SER A 96 23.412 14.466 3.423 1.00 0.00 H new ATOM 0 HA SER A 96 23.011 17.386 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 96 21.594 16.151 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 96 22.951 15.145 6.020 1.00 0.00 H new ATOM 0 HG SER A 96 22.655 16.944 7.466 1.00 0.00 H new TER 763 SER A 96 END