USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) HEADER MEMBRANE PROTEIN 22-DEC-06 2ODC TITLE LEM-DOMAIN OF THE NUCLEAR ENVELOPE PROTEIN EMERIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: EMERIN; COMPND 3 CHAIN: I; COMPND 4 FRAGMENT: RESIDUES 2-47; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELLULAR_LOCATION: NUCLEUS; SOURCE 6 GENE: EMD, EDMD, STA; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS INNER NUCLEAR MEMBRANE PROTEIN, LEM-DOMAIN MULTIDIMENSIONAL KEYWDS 2 NMR DIPOLAR COUPLINGS EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR G.M.CLORE,M.CAI REVDAT 3 24-FEB-09 2ODC 1 VERSN REVDAT 2 22-MAY-07 2ODC 1 JRNL REVDAT 1 13-MAR-07 2ODC 0 JRNL AUTH M.CAI,Y.HUANG,J.Y.SUH,J.M.LOUIS,R.GHIRLANDO, JRNL AUTH 2 R.CRAIGIE,G.M.CLORE JRNL TITL SOLUTION NMR STRUCTURE OF THE JRNL TITL 2 BARRIER-TO-AUTOINTEGRATION FACTOR-EMERIN COMPLEX. JRNL REF J.BIOL.CHEM. V. 282 14525 2007 JRNL REFN ISSN 0021-9258 JRNL PMID 17355960 JRNL DOI 10.1074/JBC.M700576200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES WERE CALCULATED BY REMARK 3 SIMULATED ANNEALING IN TORSION ANGLE SPACE. THE TARGET REMARK 3 FUNCTION COMPRISES TERMS FOR THE THE NOE RESTRAINTS, TORSION REMARK 3 ANGLE RESTRAINTS, CARBON CHEMICAL SHIFT RESTRAINTS, THE REMARK 3 DIPOLAR COUPLING RESTRAINTS, THE RADIUS OF GYRATION, A QUARTIC REMARK 3 VAN DER WAALS REPULSION TERM, A MULTIDIMENSIONAL TORSION ANGLE REMARK 3 DATABASE POTENTIAL OF MEAN FORCE, AND A MULTIDIMENSIONAL REMARK 3 HYDROGEN BONDING REMARK 4 REMARK 4 2ODC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 7 REMARK 7 IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE REMARK 7 RMS DIFFERENCE BETWEEN THE INDIVIDUAL SIMULATED REMARK 7 ANNEALING STRUCTURES AND THE MEAN COORDINATE REMARK 7 POSITIONS. REMARK 7 REMARK 7 REMARK 7 STRUCTURAL STATISTICS: REMARK 7 --------------------------------------------------------- REMARK 7 DEVIATIONS FROM IDEALIZED GEOMETRY: REMARK 7 BONDS 0.004 A REMARK 7 ANGLES 0.39 DEG REMARK 7 IMPROPERS 0.58 DEG REMARK 7 RMS DEVIATIONS FROM EXPT RESTRAINTS REMARK 7 NOES (489) 0.016 A REMARK 7 TORSION ANGLES (129) 0.32 DEG REMARK 7 13C CA CHEMICAL SHIFTS (47) 1.27 PPM REMARK 7 13C CB CHEMICAL SHIFTS (45) 0.70 PPM REMARK 7 REMARK 7 DIPOLAR COUPLING R-FACTORS (CLORE AND GARRETT (1999) REMARK 7 J. AM. CHEM. SOC. 121, 9008-9012): REMARK 7 1DNH (38) 2.3% REMARK 7 1DNC' (36) 11.5% REMARK 7 2DHNC' (36) 12.8% REMARK 7 % RESIDUES IN MOST FAVORABLE REMARK 7 REGION OF RAMACHADRAN MAP 99.5% REMARK 7 -------------------------------------------------------- REMARK 7 COORDINATE PRECISION (RESIDUES 2-46): REMARK 7 BACKBONE: 0.20(+/-0.06) A REMARK 7 ALL HEAVY ATOMS: 0.87(+/-0.09) A REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-DEC-06. REMARK 100 THE RCSB ID CODE IS RCSB040992. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.00 REMARK 210 PH : 6.50 REMARK 210 IONIC STRENGTH : 50 MM POTASSIUM PHOSPHATE REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DOUBLE AND TRIPLE RESONANCE REMARK 210 FOR ASSIGNMENT OF PROTEIN, REMARK 210 QUANTITATIVE J CORRELATION FOR REMARK 210 COUPLING CONSTANTS, 3D REMARK 210 SEPARATED NOE EXPERIMENTS, 2D REMARK 210 HETERONUCLEAR FOR DIPOLAR REMARK 210 COUPLING MEASUREMENTS IN REMARK 210 LIQUID CRYSTALLINE MEDIUM OF REMARK 210 PHAGE PF1 REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ, REMARK 210 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR-NIH REMARK 210 METHOD USED : RESTRAINED SIMULATED REMARK 210 ANNEALING IN TORION ANGLE SPACE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 180 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINED REGULARIZED MEAN REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2ODG RELATED DB: PDB REMARK 900 COMPLEX OF BARRIER-TO-AUTHOINTEGRATION FACTOR AND LEM- REMARK 900 DOMAIN OF EMERIN DBREF 2ODC I 2 47 UNP P50402 EMD_HUMAN 2 47 SEQADV 2ODC HIS I 1 UNP P50402 CLONING ARTIFACT SEQRES 1 I 47 HIS ASP ASN TYR ALA ASP LEU SER ASP THR GLU LEU THR SEQRES 2 I 47 THR LEU LEU ARG ARG TYR ASN ILE PRO HIS GLY PRO VAL SEQRES 3 I 47 VAL GLY SER THR ARG ARG LEU TYR GLU LYS LYS ILE PHE SEQRES 4 I 47 GLU TYR GLU THR GLN ARG ARG ARG HELIX 1 1 ASP I 2 LEU I 7 5 6 HELIX 2 2 SER I 8 TYR I 19 1 12 HELIX 3 3 VAL I 27 ARG I 47 1 21 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 Single : I 1 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-7.6!) USER MOD Single : I 1 HIS N :NH3+ -173:sc= -0.852! (180deg=-1.24!) USER MOD Single : I 3 ASN : amide:sc= -0.405 K(o=-0.4,f=-2.9!) USER MOD Single : I 4 TYR OH : rot 180:sc= 0 USER MOD Single : I 8 SER OG : rot 180:sc= -0.0708 USER MOD Single : I 10 THR OG1 : rot 180:sc= 0 USER MOD Single : I 13 THR OG1 : rot 77:sc= 0.641 USER MOD Single : I 14 THR OG1 : rot 180:sc= 0 USER MOD Single : I 19 TYR OH : rot -39:sc= 0.0829 USER MOD Single : I 20 ASN : amide:sc= -0.912 K(o=-0.91,f=-0.12) USER MOD Single : I 23 HIS : no HE2:sc= 0.952 K(o=0.95,f=-6.2!) USER MOD Single : I 29 SER OG : rot 180:sc= 0 USER MOD Single : I 30 THR OG1 : rot 180:sc= -0.225 USER MOD Single : I 34 TYR OH : rot 180:sc= 0.953 USER MOD Single : I 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 41 TYR OH : rot 180:sc= 0 USER MOD Single : I 43 THR OG1 : rot 97:sc= 0.712 USER MOD Single : I 44 GLN : amide:sc=-0.00969 K(o=-0.0097,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS I 1 22.864 -24.796 -10.728 1.00 1.49 N ATOM 2 CA HIS I 1 22.142 -24.816 -12.040 1.00 0.61 C ATOM 3 C HIS I 1 21.817 -23.376 -12.459 1.00 0.48 C ATOM 4 O HIS I 1 21.815 -23.034 -13.624 1.00 0.52 O ATOM 5 CB HIS I 1 20.820 -25.615 -11.936 1.00 1.42 C ATOM 6 CG HIS I 1 20.707 -26.362 -10.627 1.00 2.16 C ATOM 7 ND1 HIS I 1 21.157 -25.850 -9.415 1.00 2.90 N ATOM 8 CD2 HIS I 1 20.161 -27.587 -10.333 1.00 3.06 C ATOM 9 CE1 HIS I 1 20.877 -26.759 -8.462 1.00 3.84 C ATOM 10 NE2 HIS I 1 20.270 -27.832 -8.971 1.00 3.96 N ATOM 0 H1 HIS I 1 23.191 -25.756 -10.497 1.00 1.49 H new ATOM 0 H2 HIS I 1 23.682 -24.158 -10.792 1.00 1.49 H new ATOM 0 H3 HIS I 1 22.221 -24.461 -9.983 1.00 1.49 H new ATOM 0 HA HIS I 1 22.785 -25.296 -12.778 1.00 0.61 H new ATOM 0 HB2 HIS I 1 19.976 -24.933 -12.037 1.00 1.42 H new ATOM 0 HB3 HIS I 1 20.759 -26.323 -12.763 1.00 1.42 H new ATOM 0 HD2 HIS I 1 19.715 -28.258 -11.052 1.00 3.06 H new ATOM 0 HE1 HIS I 1 21.114 -26.635 -7.416 1.00 3.84 H new ATOM 0 HE2 HIS I 1 19.952 -28.659 -8.466 1.00 3.96 H new ATOM 21 N ASP I 2 21.591 -22.535 -11.499 1.00 0.39 N ATOM 22 CA ASP I 2 21.310 -21.103 -11.798 1.00 0.32 C ATOM 23 C ASP I 2 22.619 -20.423 -12.207 1.00 0.30 C ATOM 24 O ASP I 2 23.684 -20.777 -11.738 1.00 0.29 O ATOM 25 CB ASP I 2 20.721 -20.400 -10.572 1.00 0.34 C ATOM 26 CG ASP I 2 19.211 -20.629 -10.537 1.00 1.12 C ATOM 27 OD1 ASP I 2 18.743 -21.459 -11.300 1.00 1.80 O ATOM 28 OD2 ASP I 2 18.548 -19.965 -9.760 1.00 1.87 O ATOM 0 H ASP I 2 21.588 -22.776 -10.508 1.00 0.39 H new ATOM 0 HA ASP I 2 20.583 -21.039 -12.608 1.00 0.32 H new ATOM 0 HB2 ASP I 2 21.180 -20.785 -9.662 1.00 0.34 H new ATOM 0 HB3 ASP I 2 20.938 -19.333 -10.611 1.00 0.34 H new ATOM 33 N ASN I 3 22.554 -19.467 -13.090 1.00 0.30 N ATOM 34 CA ASN I 3 23.802 -18.785 -13.540 1.00 0.29 C ATOM 35 C ASN I 3 24.692 -18.535 -12.322 1.00 0.27 C ATOM 36 O ASN I 3 25.848 -18.904 -12.298 1.00 0.27 O ATOM 37 CB ASN I 3 23.429 -17.444 -14.211 1.00 0.29 C ATOM 38 CG ASN I 3 23.809 -17.454 -15.701 1.00 1.40 C ATOM 39 OD1 ASN I 3 24.570 -18.290 -16.145 1.00 2.26 O ATOM 40 ND2 ASN I 3 23.312 -16.545 -16.494 1.00 2.12 N ATOM 0 H ASN I 3 21.693 -19.128 -13.520 1.00 0.30 H new ATOM 0 HA ASN I 3 24.338 -19.406 -14.258 1.00 0.29 H new ATOM 0 HB2 ASN I 3 22.359 -17.265 -14.105 1.00 0.29 H new ATOM 0 HB3 ASN I 3 23.941 -16.625 -13.706 1.00 0.29 H new ATOM 0 HD21 ASN I 3 23.563 -16.538 -17.483 1.00 2.12 H new ATOM 0 HD22 ASN I 3 22.673 -15.841 -16.125 1.00 2.12 H new ATOM 47 N TYR I 4 24.156 -17.931 -11.303 1.00 0.26 N ATOM 48 CA TYR I 4 24.976 -17.657 -10.098 1.00 0.26 C ATOM 49 C TYR I 4 25.200 -18.955 -9.317 1.00 0.28 C ATOM 50 O TYR I 4 26.088 -19.044 -8.498 1.00 0.29 O ATOM 51 CB TYR I 4 24.249 -16.639 -9.222 1.00 0.29 C ATOM 52 CG TYR I 4 24.105 -15.357 -10.002 1.00 0.30 C ATOM 53 CD1 TYR I 4 23.060 -15.216 -10.923 1.00 0.37 C ATOM 54 CD2 TYR I 4 25.017 -14.314 -9.812 1.00 0.34 C ATOM 55 CE1 TYR I 4 22.930 -14.031 -11.657 1.00 0.42 C ATOM 56 CE2 TYR I 4 24.886 -13.128 -10.544 1.00 0.39 C ATOM 57 CZ TYR I 4 23.842 -12.987 -11.467 1.00 0.41 C ATOM 58 OH TYR I 4 23.714 -11.819 -12.191 1.00 0.49 O ATOM 0 H TYR I 4 23.187 -17.616 -11.253 1.00 0.26 H new ATOM 0 HA TYR I 4 25.945 -17.256 -10.396 1.00 0.26 H new ATOM 0 HB2 TYR I 4 23.269 -17.019 -8.932 1.00 0.29 H new ATOM 0 HB3 TYR I 4 24.807 -16.463 -8.302 1.00 0.29 H new ATOM 0 HD1 TYR I 4 22.355 -16.021 -11.067 1.00 0.37 H new ATOM 0 HD2 TYR I 4 25.822 -14.424 -9.101 1.00 0.34 H new ATOM 0 HE1 TYR I 4 22.126 -13.923 -12.370 1.00 0.42 H new ATOM 0 HE2 TYR I 4 25.590 -12.322 -10.397 1.00 0.39 H new ATOM 0 HH TYR I 4 24.428 -11.197 -11.937 1.00 0.49 H new ATOM 68 N ALA I 5 24.416 -19.966 -9.561 1.00 0.29 N ATOM 69 CA ALA I 5 24.621 -21.239 -8.812 1.00 0.32 C ATOM 70 C ALA I 5 25.881 -21.945 -9.318 1.00 0.30 C ATOM 71 O ALA I 5 26.444 -22.782 -8.643 1.00 0.31 O ATOM 72 CB ALA I 5 23.414 -22.143 -8.997 1.00 0.38 C ATOM 0 H ALA I 5 23.652 -19.969 -10.237 1.00 0.29 H new ATOM 0 HA ALA I 5 24.742 -21.014 -7.752 1.00 0.32 H new ATOM 0 HB1 ALA I 5 23.568 -23.072 -8.448 1.00 0.38 H new ATOM 0 HB2 ALA I 5 22.523 -21.642 -8.619 1.00 0.38 H new ATOM 0 HB3 ALA I 5 23.284 -22.365 -10.056 1.00 0.38 H new ATOM 78 N ASP I 6 26.332 -21.637 -10.502 1.00 0.29 N ATOM 79 CA ASP I 6 27.561 -22.326 -11.006 1.00 0.30 C ATOM 80 C ASP I 6 28.802 -21.676 -10.390 1.00 0.25 C ATOM 81 O ASP I 6 29.908 -22.164 -10.530 1.00 0.25 O ATOM 82 CB ASP I 6 27.640 -22.217 -12.527 1.00 0.33 C ATOM 83 CG ASP I 6 26.510 -23.033 -13.152 1.00 0.39 C ATOM 84 OD1 ASP I 6 25.933 -23.846 -12.448 1.00 0.55 O ATOM 85 OD2 ASP I 6 26.238 -22.829 -14.322 1.00 0.52 O ATOM 0 H ASP I 6 25.916 -20.953 -11.134 1.00 0.29 H new ATOM 0 HA ASP I 6 27.516 -23.378 -10.724 1.00 0.30 H new ATOM 0 HB2 ASP I 6 27.562 -21.174 -12.833 1.00 0.33 H new ATOM 0 HB3 ASP I 6 28.605 -22.581 -12.879 1.00 0.33 H new ATOM 90 N LEU I 7 28.623 -20.587 -9.701 1.00 0.22 N ATOM 91 CA LEU I 7 29.784 -19.913 -9.069 1.00 0.19 C ATOM 92 C LEU I 7 30.179 -20.695 -7.812 1.00 0.18 C ATOM 93 O LEU I 7 29.341 -21.186 -7.078 1.00 0.27 O ATOM 94 CB LEU I 7 29.390 -18.475 -8.704 1.00 0.19 C ATOM 95 CG LEU I 7 28.827 -17.754 -9.942 1.00 0.21 C ATOM 96 CD1 LEU I 7 28.348 -16.357 -9.544 1.00 0.23 C ATOM 97 CD2 LEU I 7 29.911 -17.617 -11.018 1.00 0.25 C ATOM 0 H LEU I 7 27.721 -20.135 -9.549 1.00 0.22 H new ATOM 0 HA LEU I 7 30.631 -19.883 -9.754 1.00 0.19 H new ATOM 0 HB2 LEU I 7 28.645 -18.484 -7.908 1.00 0.19 H new ATOM 0 HB3 LEU I 7 30.258 -17.937 -8.323 1.00 0.19 H new ATOM 0 HG LEU I 7 27.997 -18.338 -10.339 1.00 0.21 H new ATOM 0 HD11 LEU I 7 27.949 -15.846 -10.420 1.00 0.23 H new ATOM 0 HD12 LEU I 7 27.568 -16.442 -8.787 1.00 0.23 H new ATOM 0 HD13 LEU I 7 29.185 -15.787 -9.141 1.00 0.23 H new ATOM 0 HD21 LEU I 7 29.498 -17.105 -11.887 1.00 0.25 H new ATOM 0 HD22 LEU I 7 30.747 -17.041 -10.621 1.00 0.25 H new ATOM 0 HD23 LEU I 7 30.260 -18.607 -11.312 1.00 0.25 H new ATOM 109 N SER I 8 31.450 -20.808 -7.557 1.00 0.16 N ATOM 110 CA SER I 8 31.909 -21.553 -6.345 1.00 0.17 C ATOM 111 C SER I 8 31.867 -20.624 -5.121 1.00 0.16 C ATOM 112 O SER I 8 31.850 -19.423 -5.252 1.00 0.15 O ATOM 113 CB SER I 8 33.335 -22.064 -6.577 1.00 0.17 C ATOM 114 OG SER I 8 34.011 -22.145 -5.337 1.00 1.30 O ATOM 0 H SER I 8 32.195 -20.418 -8.134 1.00 0.16 H new ATOM 0 HA SER I 8 31.251 -22.402 -6.162 1.00 0.17 H new ATOM 0 HB2 SER I 8 33.309 -23.043 -7.055 1.00 0.17 H new ATOM 0 HB3 SER I 8 33.868 -21.394 -7.252 1.00 0.17 H new ATOM 0 HG SER I 8 34.923 -22.473 -5.482 1.00 1.30 H new ATOM 120 N ASP I 9 31.802 -21.175 -3.937 1.00 0.19 N ATOM 121 CA ASP I 9 31.733 -20.324 -2.704 1.00 0.21 C ATOM 122 C ASP I 9 32.840 -19.268 -2.716 1.00 0.19 C ATOM 123 O ASP I 9 32.608 -18.117 -2.413 1.00 0.20 O ATOM 124 CB ASP I 9 31.919 -21.207 -1.466 1.00 0.25 C ATOM 125 CG ASP I 9 30.573 -21.775 -1.013 1.00 1.44 C ATOM 126 OD1 ASP I 9 29.653 -21.779 -1.812 1.00 2.24 O ATOM 127 OD2 ASP I 9 30.487 -22.184 0.133 1.00 2.24 O ATOM 0 H ASP I 9 31.794 -22.181 -3.767 1.00 0.19 H new ATOM 0 HA ASP I 9 30.762 -19.830 -2.680 1.00 0.21 H new ATOM 0 HB2 ASP I 9 32.608 -22.021 -1.692 1.00 0.25 H new ATOM 0 HB3 ASP I 9 32.366 -20.625 -0.660 1.00 0.25 H new ATOM 132 N THR I 10 34.038 -19.644 -3.056 1.00 0.19 N ATOM 133 CA THR I 10 35.147 -18.650 -3.069 1.00 0.21 C ATOM 134 C THR I 10 34.839 -17.544 -4.081 1.00 0.18 C ATOM 135 O THR I 10 35.041 -16.377 -3.820 1.00 0.19 O ATOM 136 CB THR I 10 36.460 -19.342 -3.444 1.00 0.23 C ATOM 137 OG1 THR I 10 36.656 -20.472 -2.604 1.00 0.30 O ATOM 138 CG2 THR I 10 37.618 -18.360 -3.269 1.00 0.30 C ATOM 0 H THR I 10 34.299 -20.593 -3.325 1.00 0.19 H new ATOM 0 HA THR I 10 35.245 -18.211 -2.076 1.00 0.21 H new ATOM 0 HB THR I 10 36.419 -19.670 -4.483 1.00 0.23 H new ATOM 0 HG1 THR I 10 37.496 -20.917 -2.844 1.00 0.30 H new ATOM 0 HG21 THR I 10 38.554 -18.850 -3.535 1.00 0.30 H new ATOM 0 HG22 THR I 10 37.464 -17.496 -3.916 1.00 0.30 H new ATOM 0 HG23 THR I 10 37.663 -18.032 -2.231 1.00 0.30 H new ATOM 146 N GLU I 11 34.357 -17.903 -5.234 1.00 0.16 N ATOM 147 CA GLU I 11 34.041 -16.870 -6.262 1.00 0.16 C ATOM 148 C GLU I 11 32.811 -16.067 -5.835 1.00 0.14 C ATOM 149 O GLU I 11 32.707 -14.893 -6.075 1.00 0.14 O ATOM 150 CB GLU I 11 33.785 -17.542 -7.610 1.00 0.17 C ATOM 151 CG GLU I 11 35.025 -18.350 -8.014 1.00 0.25 C ATOM 152 CD GLU I 11 35.131 -18.424 -9.540 1.00 1.26 C ATOM 153 OE1 GLU I 11 34.237 -17.927 -10.205 1.00 2.03 O ATOM 154 OE2 GLU I 11 36.112 -18.969 -10.017 1.00 1.63 O ATOM 0 H GLU I 11 34.167 -18.866 -5.512 1.00 0.16 H new ATOM 0 HA GLU I 11 34.889 -16.192 -6.358 1.00 0.16 H new ATOM 0 HB2 GLU I 11 32.915 -18.196 -7.545 1.00 0.17 H new ATOM 0 HB3 GLU I 11 33.563 -16.791 -8.368 1.00 0.17 H new ATOM 0 HG2 GLU I 11 35.921 -17.886 -7.602 1.00 0.25 H new ATOM 0 HG3 GLU I 11 34.965 -19.355 -7.597 1.00 0.25 H new ATOM 161 N LEU I 12 31.867 -16.684 -5.218 1.00 0.13 N ATOM 162 CA LEU I 12 30.666 -15.919 -4.793 1.00 0.14 C ATOM 163 C LEU I 12 31.076 -14.874 -3.748 1.00 0.15 C ATOM 164 O LEU I 12 30.645 -13.739 -3.785 1.00 0.15 O ATOM 165 CB LEU I 12 29.641 -16.883 -4.191 1.00 0.16 C ATOM 166 CG LEU I 12 28.248 -16.241 -4.154 1.00 0.19 C ATOM 167 CD1 LEU I 12 27.594 -16.352 -5.537 1.00 0.24 C ATOM 168 CD2 LEU I 12 27.376 -16.967 -3.110 1.00 0.26 C ATOM 0 H LEU I 12 31.864 -17.677 -4.986 1.00 0.13 H new ATOM 0 HA LEU I 12 30.224 -15.414 -5.652 1.00 0.14 H new ATOM 0 HB2 LEU I 12 29.608 -17.800 -4.779 1.00 0.16 H new ATOM 0 HB3 LEU I 12 29.945 -17.161 -3.182 1.00 0.16 H new ATOM 0 HG LEU I 12 28.340 -15.189 -3.882 1.00 0.19 H new ATOM 0 HD11 LEU I 12 26.605 -15.896 -5.509 1.00 0.24 H new ATOM 0 HD12 LEU I 12 28.211 -15.837 -6.274 1.00 0.24 H new ATOM 0 HD13 LEU I 12 27.501 -17.403 -5.812 1.00 0.24 H new ATOM 0 HD21 LEU I 12 26.386 -16.512 -3.083 1.00 0.26 H new ATOM 0 HD22 LEU I 12 27.284 -18.019 -3.381 1.00 0.26 H new ATOM 0 HD23 LEU I 12 27.840 -16.884 -2.127 1.00 0.26 H new ATOM 180 N THR I 13 31.904 -15.261 -2.815 1.00 0.16 N ATOM 181 CA THR I 13 32.343 -14.316 -1.744 1.00 0.19 C ATOM 182 C THR I 13 33.083 -13.125 -2.355 1.00 0.17 C ATOM 183 O THR I 13 32.852 -11.990 -1.984 1.00 0.17 O ATOM 184 CB THR I 13 33.283 -15.053 -0.787 1.00 0.23 C ATOM 185 OG1 THR I 13 32.602 -16.166 -0.231 1.00 0.28 O ATOM 186 CG2 THR I 13 33.709 -14.112 0.341 1.00 0.32 C ATOM 0 H THR I 13 32.299 -16.199 -2.747 1.00 0.16 H new ATOM 0 HA THR I 13 31.467 -13.951 -1.209 1.00 0.19 H new ATOM 0 HB THR I 13 34.165 -15.390 -1.332 1.00 0.23 H new ATOM 0 HG1 THR I 13 32.564 -16.889 -0.891 1.00 0.28 H new ATOM 0 HG21 THR I 13 34.378 -14.639 1.021 1.00 0.32 H new ATOM 0 HG22 THR I 13 34.225 -13.249 -0.080 1.00 0.32 H new ATOM 0 HG23 THR I 13 32.827 -13.776 0.887 1.00 0.32 H new ATOM 194 N THR I 14 33.975 -13.360 -3.279 1.00 0.17 N ATOM 195 CA THR I 14 34.711 -12.216 -3.880 1.00 0.17 C ATOM 196 C THR I 14 33.724 -11.309 -4.630 1.00 0.15 C ATOM 197 O THR I 14 33.924 -10.118 -4.724 1.00 0.16 O ATOM 198 CB THR I 14 35.805 -12.726 -4.838 1.00 0.20 C ATOM 199 OG1 THR I 14 36.709 -11.668 -5.114 1.00 0.49 O ATOM 200 CG2 THR I 14 35.186 -13.205 -6.149 1.00 0.45 C ATOM 0 H THR I 14 34.222 -14.282 -3.639 1.00 0.17 H new ATOM 0 HA THR I 14 35.191 -11.643 -3.087 1.00 0.17 H new ATOM 0 HB THR I 14 36.327 -13.559 -4.367 1.00 0.20 H new ATOM 0 HG1 THR I 14 37.409 -11.986 -5.722 1.00 0.49 H new ATOM 0 HG21 THR I 14 35.973 -13.562 -6.814 1.00 0.45 H new ATOM 0 HG22 THR I 14 34.487 -14.016 -5.946 1.00 0.45 H new ATOM 0 HG23 THR I 14 34.656 -12.379 -6.624 1.00 0.45 H new ATOM 208 N LEU I 15 32.666 -11.860 -5.168 1.00 0.13 N ATOM 209 CA LEU I 15 31.681 -11.016 -5.915 1.00 0.14 C ATOM 210 C LEU I 15 30.930 -10.078 -4.961 1.00 0.13 C ATOM 211 O LEU I 15 30.767 -8.896 -5.227 1.00 0.14 O ATOM 212 CB LEU I 15 30.668 -11.918 -6.622 1.00 0.14 C ATOM 213 CG LEU I 15 31.316 -12.565 -7.856 1.00 0.15 C ATOM 214 CD1 LEU I 15 30.420 -13.706 -8.386 1.00 0.17 C ATOM 215 CD2 LEU I 15 31.537 -11.503 -8.961 1.00 0.24 C ATOM 0 H LEU I 15 32.441 -12.854 -5.124 1.00 0.13 H new ATOM 0 HA LEU I 15 32.227 -10.416 -6.643 1.00 0.14 H new ATOM 0 HB2 LEU I 15 30.316 -12.690 -5.938 1.00 0.14 H new ATOM 0 HB3 LEU I 15 29.796 -11.336 -6.921 1.00 0.14 H new ATOM 0 HG LEU I 15 32.283 -12.979 -7.570 1.00 0.15 H new ATOM 0 HD11 LEU I 15 30.887 -14.159 -9.261 1.00 0.17 H new ATOM 0 HD12 LEU I 15 30.295 -14.461 -7.610 1.00 0.17 H new ATOM 0 HD13 LEU I 15 29.445 -13.305 -8.662 1.00 0.17 H new ATOM 0 HD21 LEU I 15 31.997 -11.973 -9.830 1.00 0.24 H new ATOM 0 HD22 LEU I 15 30.578 -11.070 -9.247 1.00 0.24 H new ATOM 0 HD23 LEU I 15 32.192 -10.717 -8.585 1.00 0.24 H new ATOM 227 N LEU I 16 30.481 -10.592 -3.850 1.00 0.12 N ATOM 228 CA LEU I 16 29.746 -9.737 -2.878 1.00 0.13 C ATOM 229 C LEU I 16 30.681 -8.633 -2.430 1.00 0.14 C ATOM 230 O LEU I 16 30.289 -7.501 -2.228 1.00 0.14 O ATOM 231 CB LEU I 16 29.330 -10.576 -1.662 1.00 0.14 C ATOM 232 CG LEU I 16 28.194 -11.536 -2.034 1.00 0.16 C ATOM 233 CD1 LEU I 16 28.020 -12.564 -0.915 1.00 0.22 C ATOM 234 CD2 LEU I 16 26.881 -10.756 -2.181 1.00 0.25 C ATOM 0 H LEU I 16 30.592 -11.568 -3.573 1.00 0.12 H new ATOM 0 HA LEU I 16 28.852 -9.320 -3.341 1.00 0.13 H new ATOM 0 HB2 LEU I 16 30.186 -11.142 -1.293 1.00 0.14 H new ATOM 0 HB3 LEU I 16 29.009 -9.920 -0.853 1.00 0.14 H new ATOM 0 HG LEU I 16 28.439 -12.031 -2.974 1.00 0.16 H new ATOM 0 HD11 LEU I 16 27.213 -13.250 -1.173 1.00 0.22 H new ATOM 0 HD12 LEU I 16 28.946 -13.124 -0.788 1.00 0.22 H new ATOM 0 HD13 LEU I 16 27.776 -12.051 0.015 1.00 0.22 H new ATOM 0 HD21 LEU I 16 26.077 -11.443 -2.445 1.00 0.25 H new ATOM 0 HD22 LEU I 16 26.642 -10.264 -1.238 1.00 0.25 H new ATOM 0 HD23 LEU I 16 26.989 -10.006 -2.964 1.00 0.25 H new ATOM 246 N ARG I 17 31.920 -8.967 -2.266 1.00 0.14 N ATOM 247 CA ARG I 17 32.913 -7.964 -1.821 1.00 0.17 C ATOM 248 C ARG I 17 33.007 -6.837 -2.851 1.00 0.17 C ATOM 249 O ARG I 17 32.961 -5.672 -2.518 1.00 0.18 O ATOM 250 CB ARG I 17 34.280 -8.653 -1.691 1.00 0.20 C ATOM 251 CG ARG I 17 34.822 -8.462 -0.279 1.00 1.17 C ATOM 252 CD ARG I 17 36.294 -8.862 -0.221 1.00 1.43 C ATOM 253 NE ARG I 17 36.494 -9.597 1.063 1.00 2.10 N ATOM 254 CZ ARG I 17 37.683 -9.905 1.480 1.00 2.67 C ATOM 255 NH1 ARG I 17 38.732 -9.431 0.866 1.00 2.87 N ATOM 256 NH2 ARG I 17 37.825 -10.656 2.536 1.00 3.59 N ATOM 0 H ARG I 17 32.293 -9.903 -2.423 1.00 0.14 H new ATOM 0 HA ARG I 17 32.611 -7.544 -0.862 1.00 0.17 H new ATOM 0 HB2 ARG I 17 34.184 -9.716 -1.913 1.00 0.20 H new ATOM 0 HB3 ARG I 17 34.978 -8.237 -2.418 1.00 0.20 H new ATOM 0 HG2 ARG I 17 34.708 -7.421 0.024 1.00 1.17 H new ATOM 0 HG3 ARG I 17 34.246 -9.064 0.424 1.00 1.17 H new ATOM 0 HD2 ARG I 17 36.557 -9.492 -1.071 1.00 1.43 H new ATOM 0 HD3 ARG I 17 36.935 -7.982 -0.266 1.00 1.43 H new ATOM 0 HE ARG I 17 35.682 -9.861 1.621 1.00 2.10 H new ATOM 0 HH11 ARG I 17 38.617 -8.819 0.059 1.00 2.87 H new ATOM 0 HH12 ARG I 17 39.667 -9.673 1.193 1.00 2.87 H new ATOM 0 HH21 ARG I 17 37.002 -11.000 3.032 1.00 3.59 H new ATOM 0 HH22 ARG I 17 38.759 -10.900 2.866 1.00 3.59 H new ATOM 270 N ARG I 18 33.118 -7.175 -4.102 1.00 0.16 N ATOM 271 CA ARG I 18 33.213 -6.124 -5.146 1.00 0.18 C ATOM 272 C ARG I 18 32.054 -5.151 -5.000 1.00 0.18 C ATOM 273 O ARG I 18 32.210 -3.959 -5.180 1.00 0.20 O ATOM 274 CB ARG I 18 33.147 -6.771 -6.532 1.00 0.18 C ATOM 275 CG ARG I 18 33.061 -5.678 -7.611 1.00 0.19 C ATOM 276 CD ARG I 18 32.970 -6.306 -9.007 1.00 0.94 C ATOM 277 NE ARG I 18 34.063 -5.746 -9.848 1.00 1.65 N ATOM 278 CZ ARG I 18 34.270 -6.213 -11.043 1.00 2.31 C ATOM 279 NH1 ARG I 18 33.481 -7.133 -11.526 1.00 2.58 N ATOM 280 NH2 ARG I 18 35.253 -5.748 -11.762 1.00 3.28 N ATOM 0 H ARG I 18 33.147 -8.135 -4.446 1.00 0.16 H new ATOM 0 HA ARG I 18 34.157 -5.591 -5.031 1.00 0.18 H new ATOM 0 HB2 ARG I 18 34.029 -7.390 -6.697 1.00 0.18 H new ATOM 0 HB3 ARG I 18 32.280 -7.428 -6.596 1.00 0.18 H new ATOM 0 HG2 ARG I 18 32.189 -5.049 -7.431 1.00 0.19 H new ATOM 0 HG3 ARG I 18 33.937 -5.032 -7.553 1.00 0.19 H new ATOM 0 HD2 ARG I 18 33.060 -7.390 -8.941 1.00 0.94 H new ATOM 0 HD3 ARG I 18 32.000 -6.093 -9.456 1.00 0.94 H new ATOM 0 HE ARG I 18 34.650 -4.995 -9.486 1.00 1.65 H new ATOM 0 HH11 ARG I 18 32.704 -7.484 -10.966 1.00 2.58 H new ATOM 0 HH12 ARG I 18 33.641 -7.501 -12.464 1.00 2.58 H new ATOM 0 HH21 ARG I 18 35.859 -5.018 -11.387 1.00 3.28 H new ATOM 0 HH22 ARG I 18 35.416 -6.114 -12.700 1.00 3.28 H new ATOM 294 N TYR I 19 30.885 -5.631 -4.705 1.00 0.16 N ATOM 295 CA TYR I 19 29.739 -4.692 -4.588 1.00 0.18 C ATOM 296 C TYR I 19 29.634 -4.181 -3.153 1.00 0.17 C ATOM 297 O TYR I 19 28.735 -3.436 -2.816 1.00 0.18 O ATOM 298 CB TYR I 19 28.458 -5.424 -4.982 1.00 0.19 C ATOM 299 CG TYR I 19 28.723 -6.234 -6.229 1.00 0.21 C ATOM 300 CD1 TYR I 19 29.156 -5.596 -7.398 1.00 0.26 C ATOM 301 CD2 TYR I 19 28.534 -7.620 -6.219 1.00 0.23 C ATOM 302 CE1 TYR I 19 29.408 -6.345 -8.554 1.00 0.32 C ATOM 303 CE2 TYR I 19 28.787 -8.369 -7.374 1.00 0.27 C ATOM 304 CZ TYR I 19 29.217 -7.731 -8.543 1.00 0.31 C ATOM 305 OH TYR I 19 29.466 -8.471 -9.682 1.00 0.38 O ATOM 0 H TYR I 19 30.672 -6.615 -4.542 1.00 0.16 H new ATOM 0 HA TYR I 19 29.889 -3.839 -5.250 1.00 0.18 H new ATOM 0 HB2 TYR I 19 28.131 -6.075 -4.171 1.00 0.19 H new ATOM 0 HB3 TYR I 19 27.655 -4.709 -5.160 1.00 0.19 H new ATOM 0 HD1 TYR I 19 29.296 -4.525 -7.408 1.00 0.26 H new ATOM 0 HD2 TYR I 19 28.193 -8.112 -5.320 1.00 0.23 H new ATOM 0 HE1 TYR I 19 29.749 -5.853 -9.453 1.00 0.32 H new ATOM 0 HE2 TYR I 19 28.650 -9.440 -7.363 1.00 0.27 H new ATOM 0 HH TYR I 19 29.161 -7.973 -10.469 1.00 0.38 H new ATOM 315 N ASN I 20 30.550 -4.571 -2.307 1.00 0.16 N ATOM 316 CA ASN I 20 30.505 -4.108 -0.895 1.00 0.18 C ATOM 317 C ASN I 20 29.178 -4.538 -0.267 1.00 0.17 C ATOM 318 O ASN I 20 28.512 -3.754 0.379 1.00 0.19 O ATOM 319 CB ASN I 20 30.629 -2.577 -0.853 1.00 0.21 C ATOM 320 CG ASN I 20 31.839 -2.147 -1.682 1.00 0.25 C ATOM 321 OD1 ASN I 20 31.898 -1.032 -2.165 1.00 0.29 O ATOM 322 ND2 ASN I 20 32.814 -2.992 -1.870 1.00 0.29 N ATOM 0 H ASN I 20 31.327 -5.191 -2.536 1.00 0.16 H new ATOM 0 HA ASN I 20 31.331 -4.549 -0.336 1.00 0.18 H new ATOM 0 HB2 ASN I 20 29.722 -2.116 -1.245 1.00 0.21 H new ATOM 0 HB3 ASN I 20 30.740 -2.237 0.177 1.00 0.21 H new ATOM 0 HD21 ASN I 20 33.627 -2.718 -2.422 1.00 0.29 H new ATOM 0 HD22 ASN I 20 32.764 -3.927 -1.465 1.00 0.29 H new ATOM 329 N ILE I 21 28.783 -5.775 -0.459 1.00 0.17 N ATOM 330 CA ILE I 21 27.492 -6.248 0.126 1.00 0.18 C ATOM 331 C ILE I 21 27.790 -7.115 1.367 1.00 0.18 C ATOM 332 O ILE I 21 28.390 -8.166 1.247 1.00 0.28 O ATOM 333 CB ILE I 21 26.737 -7.089 -0.907 1.00 0.18 C ATOM 334 CG1 ILE I 21 26.135 -6.162 -1.969 1.00 0.21 C ATOM 335 CG2 ILE I 21 25.605 -7.840 -0.205 1.00 0.22 C ATOM 336 CD1 ILE I 21 25.662 -6.962 -3.191 1.00 0.23 C ATOM 0 H ILE I 21 29.299 -6.474 -0.994 1.00 0.17 H new ATOM 0 HA ILE I 21 26.883 -5.390 0.409 1.00 0.18 H new ATOM 0 HB ILE I 21 27.420 -7.796 -1.378 1.00 0.18 H new ATOM 0 HG12 ILE I 21 25.296 -5.611 -1.543 1.00 0.21 H new ATOM 0 HG13 ILE I 21 26.877 -5.425 -2.277 1.00 0.21 H new ATOM 0 HG21 ILE I 21 25.061 -8.442 -0.933 1.00 0.22 H new ATOM 0 HG22 ILE I 21 26.022 -8.490 0.564 1.00 0.22 H new ATOM 0 HG23 ILE I 21 24.924 -7.124 0.255 1.00 0.22 H new ATOM 0 HD11 ILE I 21 25.239 -6.281 -3.930 1.00 0.23 H new ATOM 0 HD12 ILE I 21 26.508 -7.492 -3.628 1.00 0.23 H new ATOM 0 HD13 ILE I 21 24.903 -7.681 -2.883 1.00 0.23 H new ATOM 348 N PRO I 22 27.388 -6.688 2.544 1.00 0.18 N ATOM 349 CA PRO I 22 27.638 -7.462 3.797 1.00 0.18 C ATOM 350 C PRO I 22 27.116 -8.898 3.704 1.00 0.18 C ATOM 351 O PRO I 22 26.035 -9.139 3.197 1.00 0.20 O ATOM 352 CB PRO I 22 26.855 -6.703 4.880 1.00 0.20 C ATOM 353 CG PRO I 22 26.571 -5.343 4.327 1.00 0.62 C ATOM 354 CD PRO I 22 26.672 -5.430 2.806 1.00 0.33 C ATOM 0 HA PRO I 22 28.706 -7.540 4.001 1.00 0.18 H new ATOM 0 HB2 PRO I 22 25.929 -7.223 5.125 1.00 0.20 H new ATOM 0 HB3 PRO I 22 27.435 -6.634 5.801 1.00 0.20 H new ATOM 0 HG2 PRO I 22 25.578 -5.008 4.626 1.00 0.62 H new ATOM 0 HG3 PRO I 22 27.283 -4.615 4.717 1.00 0.62 H new ATOM 0 HD2 PRO I 22 25.685 -5.434 2.344 1.00 0.33 H new ATOM 0 HD3 PRO I 22 27.212 -4.576 2.397 1.00 0.33 H new ATOM 362 N HIS I 23 27.861 -9.852 4.202 1.00 0.18 N ATOM 363 CA HIS I 23 27.378 -11.254 4.143 1.00 0.19 C ATOM 364 C HIS I 23 28.042 -12.113 5.214 1.00 0.19 C ATOM 365 O HIS I 23 29.068 -11.769 5.772 1.00 0.19 O ATOM 366 CB HIS I 23 27.671 -11.839 2.773 1.00 0.22 C ATOM 367 CG HIS I 23 29.122 -11.639 2.427 1.00 0.23 C ATOM 368 ND1 HIS I 23 29.602 -10.453 1.885 1.00 0.27 N ATOM 369 CD2 HIS I 23 30.212 -12.467 2.539 1.00 0.28 C ATOM 370 CE1 HIS I 23 30.927 -10.602 1.694 1.00 0.29 C ATOM 371 NE2 HIS I 23 31.345 -11.809 2.076 1.00 0.29 N ATOM 0 H HIS I 23 28.772 -9.718 4.641 1.00 0.18 H new ATOM 0 HA HIS I 23 26.303 -11.250 4.324 1.00 0.19 H new ATOM 0 HB2 HIS I 23 27.430 -12.902 2.763 1.00 0.22 H new ATOM 0 HB3 HIS I 23 27.041 -11.362 2.022 1.00 0.22 H new ATOM 0 HD1 HIS I 23 29.052 -9.621 1.671 1.00 0.27 H new ATOM 0 HD2 HIS I 23 30.192 -13.475 2.927 1.00 0.28 H new ATOM 0 HE1 HIS I 23 31.571 -9.839 1.283 1.00 0.29 H new ATOM 380 N GLY I 24 27.444 -13.238 5.483 1.00 0.19 N ATOM 381 CA GLY I 24 27.989 -14.174 6.498 1.00 0.20 C ATOM 382 C GLY I 24 28.493 -15.438 5.791 1.00 0.22 C ATOM 383 O GLY I 24 28.964 -15.376 4.671 1.00 0.38 O ATOM 0 H GLY I 24 26.584 -13.552 5.033 1.00 0.19 H new ATOM 0 HA2 GLY I 24 28.802 -13.701 7.048 1.00 0.20 H new ATOM 0 HA3 GLY I 24 27.219 -14.431 7.225 1.00 0.20 H new ATOM 387 N PRO I 25 28.405 -16.575 6.436 1.00 0.23 N ATOM 388 CA PRO I 25 28.875 -17.858 5.845 1.00 0.27 C ATOM 389 C PRO I 25 28.038 -18.270 4.623 1.00 0.24 C ATOM 390 O PRO I 25 26.826 -18.184 4.639 1.00 0.23 O ATOM 391 CB PRO I 25 28.704 -18.898 6.972 1.00 0.31 C ATOM 392 CG PRO I 25 28.278 -18.151 8.205 1.00 0.69 C ATOM 393 CD PRO I 25 27.849 -16.748 7.782 1.00 0.42 C ATOM 0 HA PRO I 25 29.903 -17.773 5.493 1.00 0.27 H new ATOM 0 HB2 PRO I 25 27.958 -19.644 6.697 1.00 0.31 H new ATOM 0 HB3 PRO I 25 29.638 -19.431 7.149 1.00 0.31 H new ATOM 0 HG2 PRO I 25 27.455 -18.668 8.699 1.00 0.69 H new ATOM 0 HG3 PRO I 25 29.098 -18.099 8.921 1.00 0.69 H new ATOM 0 HD2 PRO I 25 26.763 -16.651 7.777 1.00 0.42 H new ATOM 0 HD3 PRO I 25 28.233 -15.993 8.468 1.00 0.42 H new ATOM 401 N VAL I 26 28.668 -18.741 3.577 1.00 0.23 N ATOM 402 CA VAL I 26 27.894 -19.177 2.374 1.00 0.22 C ATOM 403 C VAL I 26 27.673 -20.697 2.435 1.00 0.21 C ATOM 404 O VAL I 26 28.610 -21.468 2.458 1.00 0.23 O ATOM 405 CB VAL I 26 28.676 -18.820 1.102 1.00 0.22 C ATOM 406 CG1 VAL I 26 27.875 -19.238 -0.149 1.00 0.26 C ATOM 407 CG2 VAL I 26 28.942 -17.307 1.067 1.00 0.29 C ATOM 0 H VAL I 26 29.680 -18.843 3.503 1.00 0.23 H new ATOM 0 HA VAL I 26 26.930 -18.669 2.357 1.00 0.22 H new ATOM 0 HB VAL I 26 29.626 -19.354 1.107 1.00 0.22 H new ATOM 0 HG11 VAL I 26 28.439 -18.980 -1.045 1.00 0.26 H new ATOM 0 HG12 VAL I 26 27.701 -20.314 -0.127 1.00 0.26 H new ATOM 0 HG13 VAL I 26 26.918 -18.716 -0.160 1.00 0.26 H new ATOM 0 HG21 VAL I 26 29.497 -17.056 0.163 1.00 0.29 H new ATOM 0 HG22 VAL I 26 27.993 -16.771 1.071 1.00 0.29 H new ATOM 0 HG23 VAL I 26 29.525 -17.020 1.942 1.00 0.29 H new ATOM 417 N VAL I 27 26.437 -21.128 2.471 1.00 0.19 N ATOM 418 CA VAL I 27 26.143 -22.590 2.536 1.00 0.20 C ATOM 419 C VAL I 27 24.890 -22.873 1.695 1.00 0.18 C ATOM 420 O VAL I 27 24.006 -22.051 1.592 1.00 0.16 O ATOM 421 CB VAL I 27 25.890 -22.983 4.008 1.00 0.22 C ATOM 422 CG1 VAL I 27 24.814 -22.057 4.611 1.00 0.22 C ATOM 423 CG2 VAL I 27 25.443 -24.461 4.126 1.00 0.23 C ATOM 0 H VAL I 27 25.615 -20.525 2.458 1.00 0.19 H new ATOM 0 HA VAL I 27 26.981 -23.169 2.149 1.00 0.20 H new ATOM 0 HB VAL I 27 26.823 -22.870 4.559 1.00 0.22 H new ATOM 0 HG11 VAL I 27 24.636 -22.335 5.650 1.00 0.22 H new ATOM 0 HG12 VAL I 27 25.157 -21.023 4.565 1.00 0.22 H new ATOM 0 HG13 VAL I 27 23.888 -22.158 4.045 1.00 0.22 H new ATOM 0 HG21 VAL I 27 25.273 -24.707 5.174 1.00 0.23 H new ATOM 0 HG22 VAL I 27 24.521 -24.608 3.564 1.00 0.23 H new ATOM 0 HG23 VAL I 27 26.221 -25.110 3.723 1.00 0.23 H new ATOM 433 N GLY I 28 24.807 -24.031 1.096 1.00 0.21 N ATOM 434 CA GLY I 28 23.609 -24.363 0.268 1.00 0.23 C ATOM 435 C GLY I 28 22.331 -23.914 0.994 1.00 0.22 C ATOM 436 O GLY I 28 21.371 -23.491 0.378 1.00 0.27 O ATOM 0 H GLY I 28 25.517 -24.762 1.144 1.00 0.21 H new ATOM 0 HA2 GLY I 28 23.679 -23.871 -0.702 1.00 0.23 H new ATOM 0 HA3 GLY I 28 23.573 -25.436 0.079 1.00 0.23 H new ATOM 440 N SER I 29 22.307 -24.011 2.297 1.00 0.19 N ATOM 441 CA SER I 29 21.096 -23.594 3.065 1.00 0.22 C ATOM 442 C SER I 29 20.831 -22.092 2.886 1.00 0.20 C ATOM 443 O SER I 29 19.694 -21.668 2.832 1.00 0.19 O ATOM 444 CB SER I 29 21.299 -23.923 4.552 1.00 0.26 C ATOM 445 OG SER I 29 20.561 -25.093 4.880 1.00 1.31 O ATOM 0 H SER I 29 23.077 -24.363 2.865 1.00 0.19 H new ATOM 0 HA SER I 29 20.231 -24.138 2.687 1.00 0.22 H new ATOM 0 HB2 SER I 29 22.358 -24.077 4.761 1.00 0.26 H new ATOM 0 HB3 SER I 29 20.970 -23.087 5.169 1.00 0.26 H new ATOM 0 HG SER I 29 20.690 -25.306 5.828 1.00 1.31 H new ATOM 451 N THR I 30 21.862 -21.287 2.793 1.00 0.21 N ATOM 452 CA THR I 30 21.654 -19.813 2.625 1.00 0.20 C ATOM 453 C THR I 30 22.312 -19.353 1.321 1.00 0.18 C ATOM 454 O THR I 30 22.306 -18.186 0.984 1.00 0.18 O ATOM 455 CB THR I 30 22.266 -19.063 3.814 1.00 0.23 C ATOM 456 OG1 THR I 30 23.673 -19.267 3.833 1.00 0.26 O ATOM 457 CG2 THR I 30 21.657 -19.569 5.135 1.00 0.28 C ATOM 0 H THR I 30 22.837 -21.586 2.826 1.00 0.21 H new ATOM 0 HA THR I 30 20.586 -19.598 2.585 1.00 0.20 H new ATOM 0 HB THR I 30 22.050 -18.000 3.708 1.00 0.23 H new ATOM 0 HG1 THR I 30 24.063 -18.786 4.592 1.00 0.26 H new ATOM 0 HG21 THR I 30 22.101 -19.028 5.971 1.00 0.28 H new ATOM 0 HG22 THR I 30 20.580 -19.403 5.126 1.00 0.28 H new ATOM 0 HG23 THR I 30 21.859 -20.634 5.244 1.00 0.28 H new ATOM 465 N ARG I 31 22.872 -20.266 0.582 1.00 0.20 N ATOM 466 CA ARG I 31 23.516 -19.880 -0.706 1.00 0.21 C ATOM 467 C ARG I 31 22.472 -19.245 -1.614 1.00 0.20 C ATOM 468 O ARG I 31 22.738 -18.273 -2.292 1.00 0.20 O ATOM 469 CB ARG I 31 24.059 -21.119 -1.415 1.00 0.25 C ATOM 470 CG ARG I 31 24.661 -20.712 -2.775 1.00 0.67 C ATOM 471 CD ARG I 31 24.858 -21.939 -3.672 1.00 0.81 C ATOM 472 NE ARG I 31 26.312 -22.086 -3.936 1.00 1.59 N ATOM 473 CZ ARG I 31 26.752 -23.096 -4.620 1.00 2.22 C ATOM 474 NH1 ARG I 31 25.906 -23.929 -5.163 1.00 2.41 N ATOM 475 NH2 ARG I 31 28.033 -23.260 -4.785 1.00 3.24 N ATOM 0 H ARG I 31 22.913 -21.259 0.811 1.00 0.20 H new ATOM 0 HA ARG I 31 24.328 -19.184 -0.496 1.00 0.21 H new ATOM 0 HB2 ARG I 31 24.818 -21.600 -0.799 1.00 0.25 H new ATOM 0 HB3 ARG I 31 23.260 -21.846 -1.562 1.00 0.25 H new ATOM 0 HG2 ARG I 31 24.004 -19.996 -3.269 1.00 0.67 H new ATOM 0 HG3 ARG I 31 25.617 -20.212 -2.620 1.00 0.67 H new ATOM 0 HD2 ARG I 31 24.467 -22.833 -3.186 1.00 0.81 H new ATOM 0 HD3 ARG I 31 24.311 -21.819 -4.607 1.00 0.81 H new ATOM 0 HE ARG I 31 26.967 -21.390 -3.578 1.00 1.59 H new ATOM 0 HH11 ARG I 31 24.903 -23.784 -5.048 1.00 2.41 H new ATOM 0 HH12 ARG I 31 26.248 -24.725 -5.702 1.00 2.41 H new ATOM 0 HH21 ARG I 31 28.689 -22.594 -4.376 1.00 3.24 H new ATOM 0 HH22 ARG I 31 28.380 -24.054 -5.323 1.00 3.24 H new ATOM 489 N ARG I 32 21.302 -19.809 -1.678 1.00 0.21 N ATOM 490 CA ARG I 32 20.274 -19.243 -2.586 1.00 0.22 C ATOM 491 C ARG I 32 19.999 -17.797 -2.221 1.00 0.20 C ATOM 492 O ARG I 32 19.908 -16.935 -3.075 1.00 0.21 O ATOM 493 CB ARG I 32 18.976 -20.027 -2.448 1.00 0.25 C ATOM 494 CG ARG I 32 17.905 -19.370 -3.325 1.00 0.78 C ATOM 495 CD ARG I 32 16.565 -20.075 -3.141 1.00 1.38 C ATOM 496 NE ARG I 32 15.918 -20.182 -4.472 1.00 2.03 N ATOM 497 CZ ARG I 32 14.838 -20.885 -4.611 1.00 2.72 C ATOM 498 NH1 ARG I 32 14.262 -21.397 -3.560 1.00 3.03 N ATOM 499 NH2 ARG I 32 14.323 -21.058 -5.794 1.00 3.64 N ATOM 0 H ARG I 32 21.015 -20.630 -1.146 1.00 0.21 H new ATOM 0 HA ARG I 32 20.644 -19.305 -3.609 1.00 0.22 H new ATOM 0 HB2 ARG I 32 19.127 -21.063 -2.750 1.00 0.25 H new ATOM 0 HB3 ARG I 32 18.654 -20.042 -1.407 1.00 0.25 H new ATOM 0 HG2 ARG I 32 17.808 -18.316 -3.064 1.00 0.78 H new ATOM 0 HG3 ARG I 32 18.206 -19.413 -4.372 1.00 0.78 H new ATOM 0 HD2 ARG I 32 16.711 -21.064 -2.707 1.00 1.38 H new ATOM 0 HD3 ARG I 32 15.931 -19.516 -2.453 1.00 1.38 H new ATOM 0 HE ARG I 32 16.323 -19.703 -5.276 1.00 2.03 H new ATOM 0 HH11 ARG I 32 14.661 -21.244 -2.634 1.00 3.03 H new ATOM 0 HH12 ARG I 32 13.412 -21.951 -3.663 1.00 3.03 H new ATOM 0 HH21 ARG I 32 14.769 -20.640 -6.611 1.00 3.64 H new ATOM 0 HH22 ARG I 32 13.473 -21.611 -5.904 1.00 3.64 H new ATOM 513 N LEU I 33 19.849 -17.518 -0.968 1.00 0.19 N ATOM 514 CA LEU I 33 19.555 -16.128 -0.568 1.00 0.20 C ATOM 515 C LEU I 33 20.674 -15.237 -1.083 1.00 0.19 C ATOM 516 O LEU I 33 20.444 -14.136 -1.538 1.00 0.19 O ATOM 517 CB LEU I 33 19.449 -16.058 0.958 1.00 0.23 C ATOM 518 CG LEU I 33 19.276 -14.608 1.438 1.00 0.26 C ATOM 519 CD1 LEU I 33 17.983 -13.983 0.869 1.00 0.28 C ATOM 520 CD2 LEU I 33 19.215 -14.612 2.971 1.00 0.30 C ATOM 0 H LEU I 33 19.917 -18.190 -0.204 1.00 0.19 H new ATOM 0 HA LEU I 33 18.609 -15.789 -0.991 1.00 0.20 H new ATOM 0 HB2 LEU I 33 18.604 -16.658 1.294 1.00 0.23 H new ATOM 0 HB3 LEU I 33 20.344 -16.488 1.407 1.00 0.23 H new ATOM 0 HG LEU I 33 20.118 -14.012 1.087 1.00 0.26 H new ATOM 0 HD11 LEU I 33 17.887 -12.957 1.225 1.00 0.28 H new ATOM 0 HD12 LEU I 33 18.026 -13.986 -0.220 1.00 0.28 H new ATOM 0 HD13 LEU I 33 17.122 -14.564 1.200 1.00 0.28 H new ATOM 0 HD21 LEU I 33 19.092 -13.591 3.333 1.00 0.30 H new ATOM 0 HD22 LEU I 33 18.371 -15.218 3.300 1.00 0.30 H new ATOM 0 HD23 LEU I 33 20.139 -15.030 3.371 1.00 0.30 H new ATOM 532 N TYR I 34 21.887 -15.709 -1.033 1.00 0.19 N ATOM 533 CA TYR I 34 23.019 -14.886 -1.543 1.00 0.20 C ATOM 534 C TYR I 34 22.936 -14.734 -3.064 1.00 0.18 C ATOM 535 O TYR I 34 23.229 -13.687 -3.608 1.00 0.18 O ATOM 536 CB TYR I 34 24.335 -15.565 -1.170 1.00 0.23 C ATOM 537 CG TYR I 34 24.623 -15.296 0.283 1.00 0.27 C ATOM 538 CD1 TYR I 34 24.823 -13.984 0.709 1.00 0.55 C ATOM 539 CD2 TYR I 34 24.690 -16.350 1.202 1.00 0.26 C ATOM 540 CE1 TYR I 34 25.084 -13.711 2.047 1.00 0.60 C ATOM 541 CE2 TYR I 34 24.953 -16.080 2.551 1.00 0.26 C ATOM 542 CZ TYR I 34 25.153 -14.758 2.973 1.00 0.37 C ATOM 543 OH TYR I 34 25.413 -14.490 4.301 1.00 0.43 O ATOM 0 H TYR I 34 22.144 -16.624 -0.663 1.00 0.19 H new ATOM 0 HA TYR I 34 22.966 -13.894 -1.094 1.00 0.20 H new ATOM 0 HB2 TYR I 34 24.271 -16.638 -1.350 1.00 0.23 H new ATOM 0 HB3 TYR I 34 25.145 -15.186 -1.792 1.00 0.23 H new ATOM 0 HD1 TYR I 34 24.775 -13.175 -0.005 1.00 0.55 H new ATOM 0 HD2 TYR I 34 24.539 -17.367 0.872 1.00 0.26 H new ATOM 0 HE1 TYR I 34 25.233 -12.692 2.371 1.00 0.60 H new ATOM 0 HE2 TYR I 34 25.002 -16.889 3.265 1.00 0.26 H new ATOM 0 HH TYR I 34 25.425 -15.329 4.808 1.00 0.43 H new ATOM 553 N GLU I 35 22.541 -15.765 -3.758 1.00 0.17 N ATOM 554 CA GLU I 35 22.454 -15.663 -5.242 1.00 0.18 C ATOM 555 C GLU I 35 21.415 -14.612 -5.609 1.00 0.15 C ATOM 556 O GLU I 35 21.581 -13.862 -6.553 1.00 0.15 O ATOM 557 CB GLU I 35 22.029 -16.997 -5.851 1.00 0.22 C ATOM 558 CG GLU I 35 23.116 -18.040 -5.619 1.00 0.28 C ATOM 559 CD GLU I 35 22.713 -19.343 -6.306 1.00 0.96 C ATOM 560 OE1 GLU I 35 21.740 -19.326 -7.041 1.00 1.62 O ATOM 561 OE2 GLU I 35 23.380 -20.336 -6.082 1.00 1.37 O ATOM 0 H GLU I 35 22.276 -16.668 -3.365 1.00 0.17 H new ATOM 0 HA GLU I 35 23.435 -15.389 -5.629 1.00 0.18 H new ATOM 0 HB2 GLU I 35 21.092 -17.329 -5.404 1.00 0.22 H new ATOM 0 HB3 GLU I 35 21.848 -16.878 -6.919 1.00 0.22 H new ATOM 0 HG2 GLU I 35 24.068 -17.685 -6.014 1.00 0.28 H new ATOM 0 HG3 GLU I 35 23.256 -18.206 -4.551 1.00 0.28 H new ATOM 568 N LYS I 36 20.341 -14.548 -4.876 1.00 0.14 N ATOM 569 CA LYS I 36 19.294 -13.544 -5.187 1.00 0.14 C ATOM 570 C LYS I 36 19.821 -12.137 -4.900 1.00 0.12 C ATOM 571 O LYS I 36 19.537 -11.198 -5.618 1.00 0.13 O ATOM 572 CB LYS I 36 18.071 -13.814 -4.314 1.00 0.16 C ATOM 573 CG LYS I 36 16.925 -12.910 -4.767 1.00 0.24 C ATOM 574 CD LYS I 36 15.651 -13.217 -3.947 1.00 0.76 C ATOM 575 CE LYS I 36 14.399 -13.270 -4.850 1.00 1.51 C ATOM 576 NZ LYS I 36 13.349 -12.383 -4.282 1.00 2.18 N ATOM 0 H LYS I 36 20.145 -15.148 -4.075 1.00 0.14 H new ATOM 0 HA LYS I 36 19.023 -13.616 -6.240 1.00 0.14 H new ATOM 0 HB2 LYS I 36 17.777 -14.861 -4.391 1.00 0.16 H new ATOM 0 HB3 LYS I 36 18.307 -13.626 -3.267 1.00 0.16 H new ATOM 0 HG2 LYS I 36 17.205 -11.864 -4.641 1.00 0.24 H new ATOM 0 HG3 LYS I 36 16.729 -13.062 -5.828 1.00 0.24 H new ATOM 0 HD2 LYS I 36 15.770 -14.170 -3.431 1.00 0.76 H new ATOM 0 HD3 LYS I 36 15.517 -12.453 -3.181 1.00 0.76 H new ATOM 0 HE2 LYS I 36 14.652 -12.953 -5.862 1.00 1.51 H new ATOM 0 HE3 LYS I 36 14.029 -14.293 -4.920 1.00 1.51 H new ATOM 0 HZ1 LYS I 36 12.503 -12.415 -4.886 1.00 2.18 H new ATOM 0 HZ2 LYS I 36 13.103 -12.706 -3.325 1.00 2.18 H new ATOM 0 HZ3 LYS I 36 13.706 -11.407 -4.237 1.00 2.18 H new ATOM 590 N LYS I 37 20.569 -11.981 -3.839 1.00 0.13 N ATOM 591 CA LYS I 37 21.094 -10.631 -3.489 1.00 0.14 C ATOM 592 C LYS I 37 21.994 -10.105 -4.596 1.00 0.14 C ATOM 593 O LYS I 37 21.910 -8.954 -4.975 1.00 0.14 O ATOM 594 CB LYS I 37 21.903 -10.696 -2.190 1.00 0.18 C ATOM 595 CG LYS I 37 20.962 -10.882 -0.992 1.00 0.21 C ATOM 596 CD LYS I 37 21.534 -10.178 0.247 1.00 1.03 C ATOM 597 CE LYS I 37 20.476 -10.121 1.363 1.00 1.28 C ATOM 598 NZ LYS I 37 20.853 -11.063 2.452 1.00 2.03 N ATOM 0 H LYS I 37 20.838 -12.730 -3.201 1.00 0.13 H new ATOM 0 HA LYS I 37 20.242 -9.963 -3.362 1.00 0.14 H new ATOM 0 HB2 LYS I 37 22.614 -11.521 -2.236 1.00 0.18 H new ATOM 0 HB3 LYS I 37 22.484 -9.782 -2.068 1.00 0.18 H new ATOM 0 HG2 LYS I 37 19.978 -10.477 -1.227 1.00 0.21 H new ATOM 0 HG3 LYS I 37 20.829 -11.944 -0.787 1.00 0.21 H new ATOM 0 HD2 LYS I 37 22.418 -10.710 0.601 1.00 1.03 H new ATOM 0 HD3 LYS I 37 21.852 -9.169 -0.014 1.00 1.03 H new ATOM 0 HE2 LYS I 37 20.400 -9.107 1.755 1.00 1.28 H new ATOM 0 HE3 LYS I 37 19.496 -10.383 0.964 1.00 1.28 H new ATOM 0 HZ1 LYS I 37 20.138 -11.025 3.207 1.00 2.03 H new ATOM 0 HZ2 LYS I 37 20.905 -12.030 2.072 1.00 2.03 H new ATOM 0 HZ3 LYS I 37 21.780 -10.793 2.839 1.00 2.03 H new ATOM 612 N ILE I 38 22.853 -10.922 -5.128 1.00 0.14 N ATOM 613 CA ILE I 38 23.743 -10.448 -6.211 1.00 0.14 C ATOM 614 C ILE I 38 22.903 -10.139 -7.446 1.00 0.14 C ATOM 615 O ILE I 38 23.168 -9.200 -8.168 1.00 0.14 O ATOM 616 CB ILE I 38 24.743 -11.545 -6.541 1.00 0.16 C ATOM 617 CG1 ILE I 38 25.505 -11.953 -5.286 1.00 0.19 C ATOM 618 CG2 ILE I 38 25.741 -11.047 -7.581 1.00 0.20 C ATOM 619 CD1 ILE I 38 26.220 -13.266 -5.578 1.00 0.20 C ATOM 0 H ILE I 38 22.976 -11.898 -4.858 1.00 0.14 H new ATOM 0 HA ILE I 38 24.273 -9.549 -5.895 1.00 0.14 H new ATOM 0 HB ILE I 38 24.197 -12.402 -6.935 1.00 0.16 H new ATOM 0 HG12 ILE I 38 26.223 -11.181 -5.008 1.00 0.19 H new ATOM 0 HG13 ILE I 38 24.821 -12.070 -4.445 1.00 0.19 H new ATOM 0 HG21 ILE I 38 26.453 -11.840 -7.811 1.00 0.20 H new ATOM 0 HG22 ILE I 38 25.209 -10.763 -8.489 1.00 0.20 H new ATOM 0 HG23 ILE I 38 26.275 -10.182 -7.188 1.00 0.20 H new ATOM 0 HD11 ILE I 38 26.775 -13.582 -4.695 1.00 0.20 H new ATOM 0 HD12 ILE I 38 25.487 -14.029 -5.839 1.00 0.20 H new ATOM 0 HD13 ILE I 38 26.911 -13.127 -6.410 1.00 0.20 H new ATOM 631 N PHE I 39 21.884 -10.921 -7.687 1.00 0.13 N ATOM 632 CA PHE I 39 21.024 -10.677 -8.875 1.00 0.14 C ATOM 633 C PHE I 39 20.367 -9.297 -8.758 1.00 0.14 C ATOM 634 O PHE I 39 20.316 -8.537 -9.702 1.00 0.15 O ATOM 635 CB PHE I 39 19.930 -11.750 -8.942 1.00 0.15 C ATOM 636 CG PHE I 39 19.160 -11.589 -10.230 1.00 0.21 C ATOM 637 CD1 PHE I 39 18.114 -10.660 -10.307 1.00 0.31 C ATOM 638 CD2 PHE I 39 19.498 -12.357 -11.349 1.00 0.27 C ATOM 639 CE1 PHE I 39 17.405 -10.503 -11.504 1.00 0.38 C ATOM 640 CE2 PHE I 39 18.791 -12.199 -12.546 1.00 0.33 C ATOM 641 CZ PHE I 39 17.744 -11.273 -12.624 1.00 0.36 C ATOM 0 H PHE I 39 21.612 -11.718 -7.111 1.00 0.13 H new ATOM 0 HA PHE I 39 21.635 -10.717 -9.777 1.00 0.14 H new ATOM 0 HB2 PHE I 39 20.374 -12.744 -8.891 1.00 0.15 H new ATOM 0 HB3 PHE I 39 19.259 -11.657 -8.088 1.00 0.15 H new ATOM 0 HD1 PHE I 39 17.855 -10.065 -9.444 1.00 0.31 H new ATOM 0 HD2 PHE I 39 20.305 -13.072 -11.289 1.00 0.27 H new ATOM 0 HE1 PHE I 39 16.597 -9.789 -11.564 1.00 0.38 H new ATOM 0 HE2 PHE I 39 19.053 -12.792 -13.410 1.00 0.33 H new ATOM 0 HZ PHE I 39 17.198 -11.152 -13.548 1.00 0.36 H new ATOM 651 N GLU I 40 19.848 -8.979 -7.607 1.00 0.13 N ATOM 652 CA GLU I 40 19.171 -7.658 -7.433 1.00 0.14 C ATOM 653 C GLU I 40 20.167 -6.510 -7.665 1.00 0.14 C ATOM 654 O GLU I 40 19.859 -5.523 -8.311 1.00 0.15 O ATOM 655 CB GLU I 40 18.580 -7.564 -6.019 1.00 0.16 C ATOM 656 CG GLU I 40 17.872 -6.216 -5.855 1.00 0.21 C ATOM 657 CD GLU I 40 16.982 -6.250 -4.611 1.00 1.22 C ATOM 658 OE1 GLU I 40 16.737 -7.335 -4.110 1.00 1.99 O ATOM 659 OE2 GLU I 40 16.551 -5.190 -4.186 1.00 1.97 O ATOM 0 H GLU I 40 19.861 -9.573 -6.778 1.00 0.13 H new ATOM 0 HA GLU I 40 18.368 -7.573 -8.166 1.00 0.14 H new ATOM 0 HB2 GLU I 40 17.877 -8.380 -5.851 1.00 0.16 H new ATOM 0 HB3 GLU I 40 19.370 -7.666 -5.275 1.00 0.16 H new ATOM 0 HG2 GLU I 40 18.607 -5.416 -5.766 1.00 0.21 H new ATOM 0 HG3 GLU I 40 17.271 -6.000 -6.738 1.00 0.21 H new ATOM 666 N TYR I 41 21.362 -6.628 -7.158 1.00 0.15 N ATOM 667 CA TYR I 41 22.362 -5.539 -7.364 1.00 0.16 C ATOM 668 C TYR I 41 22.769 -5.494 -8.841 1.00 0.16 C ATOM 669 O TYR I 41 22.679 -4.468 -9.497 1.00 0.17 O ATOM 670 CB TYR I 41 23.588 -5.823 -6.497 1.00 0.18 C ATOM 671 CG TYR I 41 24.529 -4.649 -6.553 1.00 0.31 C ATOM 672 CD1 TYR I 41 24.290 -3.527 -5.752 1.00 0.45 C ATOM 673 CD2 TYR I 41 25.642 -4.681 -7.400 1.00 0.42 C ATOM 674 CE1 TYR I 41 25.163 -2.436 -5.798 1.00 0.60 C ATOM 675 CE2 TYR I 41 26.515 -3.590 -7.447 1.00 0.58 C ATOM 676 CZ TYR I 41 26.276 -2.467 -6.646 1.00 0.64 C ATOM 677 OH TYR I 41 27.140 -1.393 -6.690 1.00 0.81 O ATOM 0 H TYR I 41 21.690 -7.425 -6.613 1.00 0.15 H new ATOM 0 HA TYR I 41 21.930 -4.578 -7.084 1.00 0.16 H new ATOM 0 HB2 TYR I 41 23.283 -6.008 -5.467 1.00 0.18 H new ATOM 0 HB3 TYR I 41 24.093 -6.724 -6.847 1.00 0.18 H new ATOM 0 HD1 TYR I 41 23.431 -3.504 -5.098 1.00 0.45 H new ATOM 0 HD2 TYR I 41 25.827 -5.548 -8.017 1.00 0.42 H new ATOM 0 HE1 TYR I 41 24.979 -1.570 -5.180 1.00 0.60 H new ATOM 0 HE2 TYR I 41 27.374 -3.614 -8.101 1.00 0.58 H new ATOM 0 HH TYR I 41 27.860 -1.578 -7.329 1.00 0.81 H new ATOM 687 N GLU I 42 23.208 -6.608 -9.364 1.00 0.17 N ATOM 688 CA GLU I 42 23.631 -6.667 -10.791 1.00 0.18 C ATOM 689 C GLU I 42 22.490 -6.191 -11.670 1.00 0.18 C ATOM 690 O GLU I 42 22.707 -5.568 -12.695 1.00 0.19 O ATOM 691 CB GLU I 42 23.951 -8.113 -11.158 1.00 0.21 C ATOM 692 CG GLU I 42 25.119 -8.622 -10.321 1.00 0.27 C ATOM 693 CD GLU I 42 26.441 -8.127 -10.910 1.00 1.02 C ATOM 694 OE1 GLU I 42 26.842 -8.654 -11.936 1.00 1.80 O ATOM 695 OE2 GLU I 42 27.044 -7.251 -10.314 1.00 1.79 O ATOM 0 H GLU I 42 23.292 -7.489 -8.856 1.00 0.17 H new ATOM 0 HA GLU I 42 24.508 -6.036 -10.937 1.00 0.18 H new ATOM 0 HB2 GLU I 42 23.075 -8.740 -10.993 1.00 0.21 H new ATOM 0 HB3 GLU I 42 24.197 -8.181 -12.218 1.00 0.21 H new ATOM 0 HG2 GLU I 42 25.018 -8.276 -9.292 1.00 0.27 H new ATOM 0 HG3 GLU I 42 25.109 -9.712 -10.293 1.00 0.27 H new ATOM 702 N THR I 43 21.265 -6.448 -11.285 1.00 0.17 N ATOM 703 CA THR I 43 20.122 -5.977 -12.101 1.00 0.19 C ATOM 704 C THR I 43 20.168 -4.460 -12.154 1.00 0.19 C ATOM 705 O THR I 43 19.991 -3.857 -13.199 1.00 0.21 O ATOM 706 CB THR I 43 18.824 -6.433 -11.434 1.00 0.19 C ATOM 707 OG1 THR I 43 18.757 -7.853 -11.436 1.00 0.20 O ATOM 708 CG2 THR I 43 17.619 -5.855 -12.175 1.00 0.22 C ATOM 0 H THR I 43 21.015 -6.963 -10.441 1.00 0.17 H new ATOM 0 HA THR I 43 20.172 -6.383 -13.111 1.00 0.19 H new ATOM 0 HB THR I 43 18.809 -6.073 -10.405 1.00 0.19 H new ATOM 0 HG1 THR I 43 19.066 -8.196 -10.572 1.00 0.20 H new ATOM 0 HG21 THR I 43 16.701 -6.187 -11.691 1.00 0.22 H new ATOM 0 HG22 THR I 43 17.667 -4.766 -12.154 1.00 0.22 H new ATOM 0 HG23 THR I 43 17.629 -6.199 -13.209 1.00 0.22 H new ATOM 716 N GLN I 44 20.412 -3.821 -11.038 1.00 0.18 N ATOM 717 CA GLN I 44 20.465 -2.340 -11.063 1.00 0.21 C ATOM 718 C GLN I 44 21.505 -1.880 -12.082 1.00 0.21 C ATOM 719 O GLN I 44 21.238 -1.024 -12.899 1.00 0.22 O ATOM 720 CB GLN I 44 20.854 -1.790 -9.684 1.00 0.25 C ATOM 721 CG GLN I 44 19.604 -1.580 -8.828 1.00 1.14 C ATOM 722 CD GLN I 44 19.991 -0.814 -7.562 1.00 1.62 C ATOM 723 OE1 GLN I 44 21.143 -0.473 -7.374 1.00 2.03 O ATOM 724 NE2 GLN I 44 19.070 -0.511 -6.692 1.00 2.44 N ATOM 0 H GLN I 44 20.573 -4.256 -10.130 1.00 0.18 H new ATOM 0 HA GLN I 44 19.478 -1.967 -11.335 1.00 0.21 H new ATOM 0 HB2 GLN I 44 21.533 -2.483 -9.186 1.00 0.25 H new ATOM 0 HB3 GLN I 44 21.388 -0.847 -9.798 1.00 0.25 H new ATOM 0 HG2 GLN I 44 18.852 -1.025 -9.389 1.00 1.14 H new ATOM 0 HG3 GLN I 44 19.161 -2.541 -8.566 1.00 1.14 H new ATOM 0 HE21 GLN I 44 18.104 -0.798 -6.851 1.00 2.44 H new ATOM 0 HE22 GLN I 44 19.315 0.013 -5.852 1.00 2.44 H new ATOM 733 N ARG I 45 22.696 -2.413 -12.030 1.00 0.23 N ATOM 734 CA ARG I 45 23.740 -1.969 -12.986 1.00 0.26 C ATOM 735 C ARG I 45 23.241 -2.225 -14.404 1.00 0.27 C ATOM 736 O ARG I 45 23.580 -1.507 -15.325 1.00 0.30 O ATOM 737 CB ARG I 45 25.064 -2.706 -12.709 1.00 0.31 C ATOM 738 CG ARG I 45 25.284 -2.826 -11.178 1.00 0.39 C ATOM 739 CD ARG I 45 26.569 -2.119 -10.736 1.00 1.04 C ATOM 740 NE ARG I 45 27.731 -2.999 -11.049 1.00 1.62 N ATOM 741 CZ ARG I 45 28.942 -2.610 -10.775 1.00 2.22 C ATOM 742 NH1 ARG I 45 29.136 -1.484 -10.142 1.00 2.52 N ATOM 743 NH2 ARG I 45 29.957 -3.358 -11.104 1.00 3.11 N ATOM 0 H ARG I 45 22.986 -3.133 -11.369 1.00 0.23 H new ATOM 0 HA ARG I 45 23.933 -0.903 -12.867 1.00 0.26 H new ATOM 0 HB2 ARG I 45 25.041 -3.697 -13.162 1.00 0.31 H new ATOM 0 HB3 ARG I 45 25.894 -2.166 -13.164 1.00 0.31 H new ATOM 0 HG2 ARG I 45 24.432 -2.395 -10.652 1.00 0.39 H new ATOM 0 HG3 ARG I 45 25.332 -3.878 -10.898 1.00 0.39 H new ATOM 0 HD2 ARG I 45 26.670 -1.163 -11.250 1.00 1.04 H new ATOM 0 HD3 ARG I 45 26.534 -1.905 -9.668 1.00 1.04 H new ATOM 0 HE ARG I 45 27.576 -3.910 -11.480 1.00 1.62 H new ATOM 0 HH11 ARG I 45 28.339 -0.912 -9.864 1.00 2.52 H new ATOM 0 HH12 ARG I 45 30.084 -1.177 -9.926 1.00 2.52 H new ATOM 0 HH21 ARG I 45 29.802 -4.249 -11.576 1.00 3.11 H new ATOM 0 HH22 ARG I 45 30.906 -3.053 -10.889 1.00 3.11 H new ATOM 757 N ARG I 46 22.435 -3.234 -14.599 1.00 0.28 N ATOM 758 CA ARG I 46 21.927 -3.492 -15.971 1.00 0.35 C ATOM 759 C ARG I 46 20.874 -2.442 -16.327 1.00 0.41 C ATOM 760 O ARG I 46 20.582 -2.223 -17.486 1.00 0.65 O ATOM 761 CB ARG I 46 21.339 -4.899 -16.071 1.00 0.45 C ATOM 762 CG ARG I 46 22.482 -5.901 -16.264 1.00 1.12 C ATOM 763 CD ARG I 46 21.919 -7.283 -16.593 1.00 1.49 C ATOM 764 NE ARG I 46 22.841 -8.317 -16.044 1.00 1.96 N ATOM 765 CZ ARG I 46 22.483 -9.571 -16.024 1.00 2.44 C ATOM 766 NH1 ARG I 46 21.368 -9.940 -16.592 1.00 2.72 N ATOM 767 NH2 ARG I 46 23.250 -10.458 -15.453 1.00 3.22 N ATOM 0 H ARG I 46 22.112 -3.880 -13.879 1.00 0.28 H new ATOM 0 HA ARG I 46 22.754 -3.424 -16.678 1.00 0.35 H new ATOM 0 HB2 ARG I 46 20.777 -5.138 -15.168 1.00 0.45 H new ATOM 0 HB3 ARG I 46 20.641 -4.958 -16.906 1.00 0.45 H new ATOM 0 HG2 ARG I 46 23.138 -5.566 -17.068 1.00 1.12 H new ATOM 0 HG3 ARG I 46 23.088 -5.952 -15.359 1.00 1.12 H new ATOM 0 HD2 ARG I 46 20.924 -7.398 -16.164 1.00 1.49 H new ATOM 0 HD3 ARG I 46 21.816 -7.402 -17.672 1.00 1.49 H new ATOM 0 HE ARG I 46 23.755 -8.043 -15.683 1.00 1.96 H new ATOM 0 HH11 ARG I 46 20.776 -9.248 -17.052 1.00 2.72 H new ATOM 0 HH12 ARG I 46 21.088 -10.921 -16.576 1.00 2.72 H new ATOM 0 HH21 ARG I 46 24.129 -10.171 -15.023 1.00 3.22 H new ATOM 0 HH22 ARG I 46 22.971 -11.439 -15.437 1.00 3.22 H new ATOM 781 N ARG I 47 20.299 -1.782 -15.354 1.00 0.39 N ATOM 782 CA ARG I 47 19.279 -0.737 -15.660 1.00 0.65 C ATOM 783 C ARG I 47 19.922 0.649 -15.502 1.00 1.09 C ATOM 784 O ARG I 47 20.393 0.938 -14.414 1.00 1.71 O ATOM 785 CB ARG I 47 18.105 -0.875 -14.676 1.00 1.00 C ATOM 786 CG ARG I 47 16.939 -1.605 -15.352 1.00 1.45 C ATOM 787 CD ARG I 47 15.721 -1.640 -14.415 1.00 1.97 C ATOM 788 NE ARG I 47 15.495 -3.038 -13.954 1.00 2.49 N ATOM 789 CZ ARG I 47 14.680 -3.272 -12.964 1.00 3.11 C ATOM 790 NH1 ARG I 47 14.069 -2.281 -12.375 1.00 3.40 N ATOM 791 NH2 ARG I 47 14.475 -4.497 -12.563 1.00 3.90 N ATOM 792 OXT ARG I 47 19.928 1.394 -16.467 1.00 1.71 O ATOM 0 H ARG I 47 20.492 -1.922 -14.362 1.00 0.39 H new ATOM 0 HA ARG I 47 18.914 -0.858 -16.680 1.00 0.65 H new ATOM 0 HB2 ARG I 47 18.424 -1.424 -13.790 1.00 1.00 H new ATOM 0 HB3 ARG I 47 17.783 0.111 -14.341 1.00 1.00 H new ATOM 0 HG2 ARG I 47 16.677 -1.103 -16.283 1.00 1.45 H new ATOM 0 HG3 ARG I 47 17.237 -2.621 -15.611 1.00 1.45 H new ATOM 0 HD2 ARG I 47 15.887 -0.985 -13.560 1.00 1.97 H new ATOM 0 HD3 ARG I 47 14.837 -1.269 -14.934 1.00 1.97 H new ATOM 0 HE ARG I 47 15.977 -3.811 -14.412 1.00 2.49 H new ATOM 0 HH11 ARG I 47 14.229 -1.324 -12.689 1.00 3.40 H new ATOM 0 HH12 ARG I 47 13.431 -2.463 -11.600 1.00 3.40 H new ATOM 0 HH21 ARG I 47 14.953 -5.271 -13.024 1.00 3.90 H new ATOM 0 HH22 ARG I 47 13.837 -4.680 -11.788 1.00 3.90 H new TER 806 ARG I 47 END