USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) HEADER CYTOKINE 20-SEP-04 1VMC TITLE STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: STROMAL CELL-DERIVED FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SDF-1ALPHA (RESIDUES 22-89); 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 GENE: CXCL12, SDF1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CXC-CHEMOKINE, CYTOKINE EXPDTA SOLUTION NMR AUTHOR E.K.GOZANSKY,G.M.CLORE REVDAT 2 24-FEB-09 1VMC 1 VERSN REVDAT 1 01-MAR-05 1VMC 0 JRNL AUTH E.K.GOZANSKY,J.M.LOUIS,M.CAFFREY,G.M.CLORE JRNL TITL MAPPING THE BINDING OF THE N-TERMINAL JRNL TITL 2 EXTRACELLULAR TAIL OF THE CXCR4 RECEPTOR TO JRNL TITL 3 STROMAL CELL-DERIVED FACTOR-1ALPHA. JRNL REF J.MOL.BIOL. V. 345 651 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 15588815 JRNL DOI 10.1016/J.JMB.2004.11.003 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR-NIH (HTTP://NMR.CIT.NIH.GOV/XPLOR_NIH) REMARK 3 AUTHORS : C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE TARGET FUNCTION COMPRISES TERMS FOR THE NOE-DERIVED REMARK 3 INTERPROTON DISTANCE RESTRAINTS, TORSION ANGLE RESTRAINTS, 3JHN- REMARK 3 HALPHA COUPLING CONSTANT RESTRAINTS, 13CALPHA/BETA CHEMICAL REMARK 3 SHIFT RESTRAINTS, AND RESIDUAL DIPOLAR COUPLING RESTRAINTS (N-H) REMARK 3 ; THE NON-BONDED INTERACTIONS ARE REPRESENTED BY A QUARTIC VAN REMARK 3 DER WAALS REPULSION TERM, TORSION ANGLE AND HYDROGEN BONDING REMARK 3 DATABASE POTENTIALS OF MEAN FORCE, AND A RADIUS OF GYRATION REMARK 3 RESTRAINT. REMARK 3 REMARK 3 IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE RMS REMARK 3 DIFFERENCE BETWEEN THE INDIVIDUAL SIMULATED ANNEALING REMARK 3 STRUCTURES BEST-FITTED TO RESIDUES 8-65. ONLY RESIDUES REMARK 3 8-68 ARE SHOWN SINCE RESIDUES 1-7 AT THE C-TERMINUS ARE REMARK 3 DISORDERED IN SOLUTION REMARK 3 EXPERIMENTAL RESTRAINTS: REMARK 3 562 INTERPROTON DISTANCE RESTRAINTS: REMARK 3 (173 INTRARESIDUE; 174 SEQUENTIAL, 94 REMARK 3 MEDIUM-RANGE, AND 121 LONG-RANGE INTERRESIDUE; REMARK 3 58 DISTANCE RESTRAINTS FOR 29 BACKBONE H-BONDS REMARK 3 202 TORSION ANGLE RESTRAINTS (69 PHI, 55 PSI, 78 CHI) REMARK 3 189 CALPHA/CBETA CHEMICAL SHIFT RESTRAINTS REMARK 3 37 3JHN-HA COUPLING CONSTANT RESTRAINTS REMARK 3 35 RESIDUAL NH DIPOLAR COUPLING RESTRAINTS REMARK 3 135 CA/CB 13C SHIFTS REMARK 3 DIPOLAR COUPLING R-FACTOR: 5.5% REMARK 3 (DA = -9.7HZ, RHOMBICITY = 0.46) REMARK 4 REMARK 4 1VMC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-SEP-04. REMARK 100 THE RCSB ID CODE IS RCSB002008. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : (1) TRIPLE RESONANCE FOR REMARK 210 ASSIGNMENT OF PROTEIN, (2) REMARK 210 QUANTITATIVE J CORRELATION FOR REMARK 210 COUPLING CONSTANTS, (3) 3D, 4D REMARK 210 HETERONUCLEAR SEPARATED NOE REMARK 210 EXPTS, (4) IPAP HSQC EXPT FOR REMARK 210 DIPOLAR MEASURED IN 5% DMPC: REMARK 210 DHPC (3:1) BICELLES REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR-NIH REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 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 : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 SER A -2 REMARK 465 ASP A -1 REMARK 465 TYR A 0 REMARK 465 LYS A 1 REMARK 465 PRO A 2 REMARK 465 VAL A 3 REMARK 465 SER A 4 REMARK 465 LEU A 5 REMARK 465 SER A 6 REMARK 465 TYR A 7 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 ARG A 12 -64.01 -97.85 REMARK 500 PRO A 32 2.62 -69.03 REMARK 500 ALA A 35 -154.24 85.74 REMARK 500 ASN A 44 -72.20 -53.33 REMARK 500 PRO A 53 11.58 -66.37 REMARK 500 REMARK 500 REMARK: NULL DBREF 1VMC A 1 68 UNP P48061 SDF1_HUMAN 22 89 SEQADV 1VMC SER A -2 UNP P48061 CLONING ARTIFACT SEQADV 1VMC ASP A -1 UNP P48061 CLONING ARTIFACT SEQADV 1VMC TYR A 0 UNP P48061 CLONING ARTIFACT SEQRES 1 A 71 SER ASP TYR LYS PRO VAL SER LEU SER TYR ARG CYS PRO SEQRES 2 A 71 CYS ARG PHE PHE GLU SER HIS VAL ALA ARG ALA ASN VAL SEQRES 3 A 71 LYS HIS LEU LYS ILE LEU ASN THR PRO ASN CYS ALA LEU SEQRES 4 A 71 GLN ILE VAL ALA ARG LEU LYS ASN ASN ASN ARG GLN VAL SEQRES 5 A 71 CYS ILE ASP PRO LYS LEU LYS TRP ILE GLN GLU TYR LEU SEQRES 6 A 71 GLU LYS ALA LEU ASN LYS HELIX 1 1 ALA A 19 ALA A 21 5 3 HELIX 2 2 LEU A 55 LYS A 68 1 14 SHEET 1 A 3 VAL A 23 THR A 31 0 SHEET 2 A 3 ALA A 35 LEU A 42 -1 O VAL A 39 N LYS A 27 SHEET 3 A 3 ARG A 47 ILE A 51 -1 O VAL A 49 N ALA A 40 SSBOND *** CYS A 9 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 11 CYS A 50 1555 1555 2.01 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 22 ASN : amide:sc= -2.77! C(o=-2.9!,f=-4.5!) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.114 X(o=-2.9,f=-3) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.044) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 31 THR OG1 : rot 10:sc= 1.49 USER MOD Single : A 33 ASN : amide:sc= -0.0297 K(o=-0.03,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -2.86! C(o=-2.9!,f=-6.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0997 K(o=-0.1,f=-1.8!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.37! C(o=-1.4!,f=-1.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.25) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.19) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 8 38.105 9.056 -3.538 1.00 1.41 N ATOM 2 CA ARG A 8 39.028 10.216 -3.334 1.00 1.15 C ATOM 3 C ARG A 8 40.182 10.107 -4.332 1.00 0.84 C ATOM 4 O ARG A 8 40.745 9.048 -4.528 1.00 0.89 O ATOM 5 CB ARG A 8 39.566 10.185 -1.897 1.00 1.38 C ATOM 6 CG ARG A 8 38.442 9.748 -0.936 1.00 1.70 C ATOM 7 CD ARG A 8 38.681 10.328 0.460 1.00 2.26 C ATOM 8 NE ARG A 8 40.057 9.998 0.918 1.00 2.84 N ATOM 9 CZ ARG A 8 40.568 10.645 1.927 1.00 3.50 C ATOM 10 NH1 ARG A 8 39.865 11.565 2.529 1.00 3.74 N ATOM 11 NH2 ARG A 8 41.778 10.376 2.335 1.00 4.37 N ATOM 0 HA ARG A 8 38.499 11.155 -3.494 1.00 1.15 H new ATOM 0 HB2 ARG A 8 40.407 9.495 -1.827 1.00 1.38 H new ATOM 0 HB3 ARG A 8 39.937 11.170 -1.615 1.00 1.38 H new ATOM 0 HG2 ARG A 8 37.478 10.084 -1.317 1.00 1.70 H new ATOM 0 HG3 ARG A 8 38.402 8.660 -0.883 1.00 1.70 H new ATOM 0 HD2 ARG A 8 38.544 11.409 0.442 1.00 2.26 H new ATOM 0 HD3 ARG A 8 37.949 9.926 1.160 1.00 2.26 H new ATOM 0 HE ARG A 8 40.596 9.272 0.446 1.00 2.84 H new ATOM 0 HH11 ARG A 8 38.919 11.775 2.209 1.00 3.74 H new ATOM 0 HH12 ARG A 8 40.261 12.074 3.319 1.00 3.74 H new ATOM 0 HH21 ARG A 8 42.327 9.657 1.864 1.00 4.37 H new ATOM 0 HH22 ARG A 8 42.175 10.885 3.125 1.00 4.37 H new ATOM 25 N CYS A 9 40.536 11.189 -4.970 1.00 0.63 N ATOM 26 CA CYS A 9 41.649 11.139 -5.961 1.00 0.37 C ATOM 27 C CYS A 9 42.976 11.377 -5.237 1.00 0.34 C ATOM 28 O CYS A 9 43.023 12.095 -4.259 1.00 0.46 O ATOM 29 CB CYS A 9 41.440 12.233 -7.006 1.00 0.39 C ATOM 30 SG CYS A 9 39.907 11.903 -7.903 1.00 0.45 S ATOM 0 H CYS A 9 40.103 12.105 -4.848 1.00 0.63 H new ATOM 0 HA CYS A 9 41.666 10.165 -6.449 1.00 0.37 H new ATOM 0 HB2 CYS A 9 41.392 13.210 -6.524 1.00 0.39 H new ATOM 0 HB3 CYS A 9 42.282 12.260 -7.697 1.00 0.39 H new ATOM 35 N PRO A 10 44.055 10.791 -5.700 1.00 0.31 N ATOM 36 CA PRO A 10 45.369 10.986 -5.045 1.00 0.43 C ATOM 37 C PRO A 10 45.726 12.473 -4.994 1.00 0.40 C ATOM 38 O PRO A 10 46.408 12.921 -4.093 1.00 0.48 O ATOM 39 CB PRO A 10 46.379 10.198 -5.912 1.00 0.55 C ATOM 40 CG PRO A 10 45.637 9.761 -7.149 1.00 0.58 C ATOM 41 CD PRO A 10 44.134 9.894 -6.863 1.00 0.36 C ATOM 0 HA PRO A 10 45.370 10.634 -4.013 1.00 0.43 H new ATOM 0 HB2 PRO A 10 47.234 10.821 -6.173 1.00 0.55 H new ATOM 0 HB3 PRO A 10 46.767 9.337 -5.368 1.00 0.55 H new ATOM 0 HG2 PRO A 10 45.920 10.377 -8.002 1.00 0.58 H new ATOM 0 HG3 PRO A 10 45.889 8.731 -7.402 1.00 0.58 H new ATOM 0 HD2 PRO A 10 43.603 10.308 -7.720 1.00 0.36 H new ATOM 0 HD3 PRO A 10 43.684 8.925 -6.647 1.00 0.36 H new ATOM 49 N CYS A 11 45.273 13.248 -5.957 1.00 0.34 N ATOM 50 CA CYS A 11 45.578 14.706 -5.980 1.00 0.39 C ATOM 51 C CYS A 11 44.288 15.517 -6.034 1.00 0.58 C ATOM 52 O CYS A 11 43.368 15.200 -6.762 1.00 0.74 O ATOM 53 CB CYS A 11 46.410 15.004 -7.225 1.00 0.28 C ATOM 54 SG CYS A 11 48.114 14.522 -6.905 1.00 0.54 S ATOM 0 H CYS A 11 44.699 12.921 -6.734 1.00 0.34 H new ATOM 0 HA CYS A 11 46.125 14.978 -5.077 1.00 0.39 H new ATOM 0 HB2 CYS A 11 46.017 14.458 -8.082 1.00 0.28 H new ATOM 0 HB3 CYS A 11 46.357 16.065 -7.471 1.00 0.28 H new ATOM 59 N ARG A 12 44.223 16.579 -5.277 1.00 0.76 N ATOM 60 CA ARG A 12 43.006 17.433 -5.287 1.00 1.00 C ATOM 61 C ARG A 12 43.259 18.617 -6.215 1.00 0.90 C ATOM 62 O ARG A 12 42.618 18.749 -7.239 1.00 1.05 O ATOM 63 CB ARG A 12 42.745 17.893 -3.853 1.00 1.28 C ATOM 64 CG ARG A 12 42.431 16.642 -3.024 1.00 1.42 C ATOM 65 CD ARG A 12 42.357 16.951 -1.518 1.00 2.00 C ATOM 66 NE ARG A 12 43.645 16.477 -0.906 1.00 2.40 N ATOM 67 CZ ARG A 12 43.762 16.308 0.377 1.00 3.09 C ATOM 68 NH1 ARG A 12 42.721 16.457 1.148 1.00 3.54 N ATOM 69 NH2 ARG A 12 44.909 15.954 0.890 1.00 3.79 N ATOM 0 H ARG A 12 44.965 16.891 -4.650 1.00 0.76 H new ATOM 0 HA ARG A 12 42.131 16.893 -5.649 1.00 1.00 H new ATOM 0 HB2 ARG A 12 43.615 18.412 -3.451 1.00 1.28 H new ATOM 0 HB3 ARG A 12 41.912 18.595 -3.820 1.00 1.28 H new ATOM 0 HG2 ARG A 12 41.483 16.217 -3.354 1.00 1.42 H new ATOM 0 HG3 ARG A 12 43.197 15.888 -3.202 1.00 1.42 H new ATOM 0 HD2 ARG A 12 42.221 18.019 -1.350 1.00 2.00 H new ATOM 0 HD3 ARG A 12 41.505 16.446 -1.063 1.00 2.00 H new ATOM 0 HE ARG A 12 44.444 16.284 -1.510 1.00 2.40 H new ATOM 0 HH11 ARG A 12 41.818 16.705 0.744 1.00 3.54 H new ATOM 0 HH12 ARG A 12 42.810 16.325 2.156 1.00 3.54 H new ATOM 0 HH21 ARG A 12 45.716 15.809 0.283 1.00 3.79 H new ATOM 0 HH22 ARG A 12 44.998 15.822 1.897 1.00 3.79 H new ATOM 83 N PHE A 13 44.204 19.473 -5.895 1.00 0.77 N ATOM 84 CA PHE A 13 44.511 20.630 -6.783 1.00 0.65 C ATOM 85 C PHE A 13 45.862 20.380 -7.445 1.00 0.48 C ATOM 86 O PHE A 13 46.765 19.841 -6.837 1.00 0.55 O ATOM 87 CB PHE A 13 44.610 21.893 -5.932 1.00 0.70 C ATOM 88 CG PHE A 13 43.264 22.195 -5.324 1.00 0.94 C ATOM 89 CD1 PHE A 13 42.282 22.832 -6.089 1.00 1.03 C ATOM 90 CD2 PHE A 13 42.998 21.839 -3.997 1.00 1.17 C ATOM 91 CE1 PHE A 13 41.032 23.114 -5.528 1.00 1.29 C ATOM 92 CE2 PHE A 13 41.749 22.121 -3.434 1.00 1.41 C ATOM 93 CZ PHE A 13 40.765 22.760 -4.200 1.00 1.46 C ATOM 0 H PHE A 13 44.775 19.415 -5.052 1.00 0.77 H new ATOM 0 HA PHE A 13 43.732 20.748 -7.536 1.00 0.65 H new ATOM 0 HB2 PHE A 13 45.354 21.758 -5.147 1.00 0.70 H new ATOM 0 HB3 PHE A 13 44.941 22.732 -6.544 1.00 0.70 H new ATOM 0 HD1 PHE A 13 42.489 23.106 -7.113 1.00 1.03 H new ATOM 0 HD2 PHE A 13 43.757 21.346 -3.408 1.00 1.17 H new ATOM 0 HE1 PHE A 13 40.273 23.605 -6.119 1.00 1.29 H new ATOM 0 HE2 PHE A 13 41.543 21.846 -2.410 1.00 1.41 H new ATOM 0 HZ PHE A 13 39.801 22.979 -3.766 1.00 1.46 H new ATOM 103 N PHE A 14 46.010 20.756 -8.685 1.00 0.42 N ATOM 104 CA PHE A 14 47.306 20.533 -9.394 1.00 0.29 C ATOM 105 C PHE A 14 48.017 21.873 -9.571 1.00 0.26 C ATOM 106 O PHE A 14 47.392 22.881 -9.833 1.00 0.28 O ATOM 107 CB PHE A 14 47.007 19.918 -10.757 1.00 0.35 C ATOM 108 CG PHE A 14 46.164 18.679 -10.557 1.00 0.45 C ATOM 109 CD1 PHE A 14 44.774 18.800 -10.438 1.00 0.64 C ATOM 110 CD2 PHE A 14 46.766 17.416 -10.483 1.00 0.45 C ATOM 111 CE1 PHE A 14 43.985 17.660 -10.244 1.00 0.74 C ATOM 112 CE2 PHE A 14 45.975 16.275 -10.290 1.00 0.55 C ATOM 113 CZ PHE A 14 44.585 16.398 -10.171 1.00 0.67 C ATOM 0 H PHE A 14 45.287 21.211 -9.242 1.00 0.42 H new ATOM 0 HA PHE A 14 47.947 19.864 -8.820 1.00 0.29 H new ATOM 0 HB2 PHE A 14 46.481 20.635 -11.387 1.00 0.35 H new ATOM 0 HB3 PHE A 14 47.935 19.664 -11.269 1.00 0.35 H new ATOM 0 HD1 PHE A 14 44.310 19.774 -10.496 1.00 0.64 H new ATOM 0 HD2 PHE A 14 47.838 17.322 -10.575 1.00 0.45 H new ATOM 0 HE1 PHE A 14 42.913 17.755 -10.151 1.00 0.74 H new ATOM 0 HE2 PHE A 14 46.438 15.301 -10.233 1.00 0.55 H new ATOM 0 HZ PHE A 14 43.976 15.518 -10.023 1.00 0.67 H new ATOM 123 N GLU A 15 49.320 21.895 -9.429 1.00 0.26 N ATOM 124 CA GLU A 15 50.077 23.175 -9.592 1.00 0.27 C ATOM 125 C GLU A 15 50.738 23.200 -10.968 1.00 0.25 C ATOM 126 O GLU A 15 51.362 22.246 -11.388 1.00 0.30 O ATOM 127 CB GLU A 15 51.154 23.296 -8.503 1.00 0.35 C ATOM 128 CG GLU A 15 50.500 23.362 -7.092 1.00 1.02 C ATOM 129 CD GLU A 15 50.977 24.611 -6.333 1.00 1.56 C ATOM 130 OE1 GLU A 15 51.028 25.667 -6.943 1.00 2.29 O ATOM 131 OE2 GLU A 15 51.278 24.488 -5.158 1.00 2.19 O ATOM 0 H GLU A 15 49.892 21.080 -9.207 1.00 0.26 H new ATOM 0 HA GLU A 15 49.385 24.013 -9.500 1.00 0.27 H new ATOM 0 HB2 GLU A 15 51.831 22.443 -8.557 1.00 0.35 H new ATOM 0 HB3 GLU A 15 51.753 24.190 -8.674 1.00 0.35 H new ATOM 0 HG2 GLU A 15 49.414 23.381 -7.189 1.00 1.02 H new ATOM 0 HG3 GLU A 15 50.754 22.466 -6.525 1.00 1.02 H new ATOM 138 N SER A 16 50.600 24.296 -11.662 1.00 0.29 N ATOM 139 CA SER A 16 51.215 24.430 -13.020 1.00 0.33 C ATOM 140 C SER A 16 52.432 25.354 -12.934 1.00 0.35 C ATOM 141 O SER A 16 53.088 25.621 -13.920 1.00 0.40 O ATOM 142 CB SER A 16 50.193 25.023 -13.991 1.00 0.39 C ATOM 143 OG SER A 16 49.890 26.357 -13.606 1.00 0.40 O ATOM 0 H SER A 16 50.082 25.116 -11.345 1.00 0.29 H new ATOM 0 HA SER A 16 51.524 23.448 -13.378 1.00 0.33 H new ATOM 0 HB2 SER A 16 50.589 25.008 -15.006 1.00 0.39 H new ATOM 0 HB3 SER A 16 49.286 24.419 -13.994 1.00 0.39 H new ATOM 0 HG SER A 16 49.236 26.737 -14.230 1.00 0.40 H new ATOM 149 N HIS A 17 52.724 25.858 -11.759 1.00 0.34 N ATOM 150 CA HIS A 17 53.887 26.789 -11.590 1.00 0.40 C ATOM 151 C HIS A 17 55.025 26.091 -10.838 1.00 0.35 C ATOM 152 O HIS A 17 55.742 26.712 -10.080 1.00 0.38 O ATOM 153 CB HIS A 17 53.431 28.007 -10.787 1.00 0.52 C ATOM 154 CG HIS A 17 52.331 28.709 -11.533 1.00 0.63 C ATOM 155 ND1 HIS A 17 50.993 28.414 -11.324 1.00 0.71 N ATOM 156 CD2 HIS A 17 52.354 29.689 -12.493 1.00 0.78 C ATOM 157 CE1 HIS A 17 50.272 29.202 -12.141 1.00 0.86 C ATOM 158 NE2 HIS A 17 51.052 29.999 -12.876 1.00 0.90 N ATOM 0 H HIS A 17 52.204 25.664 -10.904 1.00 0.34 H new ATOM 0 HA HIS A 17 54.247 27.093 -12.573 1.00 0.40 H new ATOM 0 HB2 HIS A 17 53.079 27.697 -9.803 1.00 0.52 H new ATOM 0 HB3 HIS A 17 54.269 28.686 -10.627 1.00 0.52 H new ATOM 0 HD2 HIS A 17 53.246 30.150 -12.891 1.00 0.78 H new ATOM 0 HE1 HIS A 17 49.193 29.192 -12.196 1.00 0.86 H new ATOM 0 HE2 HIS A 17 50.757 30.687 -13.569 1.00 0.90 H new ATOM 166 N VAL A 18 55.201 24.809 -11.049 1.00 0.37 N ATOM 167 CA VAL A 18 56.304 24.061 -10.359 1.00 0.34 C ATOM 168 C VAL A 18 57.355 23.681 -11.398 1.00 0.32 C ATOM 169 O VAL A 18 57.040 23.423 -12.543 1.00 0.37 O ATOM 170 CB VAL A 18 55.750 22.787 -9.704 1.00 0.33 C ATOM 171 CG1 VAL A 18 56.908 21.881 -9.264 1.00 0.34 C ATOM 172 CG2 VAL A 18 54.909 23.160 -8.480 1.00 0.42 C ATOM 0 H VAL A 18 54.625 24.244 -11.673 1.00 0.37 H new ATOM 0 HA VAL A 18 56.745 24.689 -9.585 1.00 0.34 H new ATOM 0 HB VAL A 18 55.129 22.258 -10.427 1.00 0.33 H new ATOM 0 HG11 VAL A 18 56.508 20.979 -8.800 1.00 0.34 H new ATOM 0 HG12 VAL A 18 57.506 21.608 -10.133 1.00 0.34 H new ATOM 0 HG13 VAL A 18 57.533 22.412 -8.546 1.00 0.34 H new ATOM 0 HG21 VAL A 18 54.517 22.254 -8.018 1.00 0.42 H new ATOM 0 HG22 VAL A 18 55.530 23.695 -7.761 1.00 0.42 H new ATOM 0 HG23 VAL A 18 54.080 23.797 -8.788 1.00 0.42 H new ATOM 182 N ALA A 19 58.603 23.645 -11.003 1.00 0.33 N ATOM 183 CA ALA A 19 59.699 23.281 -11.953 1.00 0.39 C ATOM 184 C ALA A 19 60.476 22.086 -11.392 1.00 0.32 C ATOM 185 O ALA A 19 60.368 21.751 -10.230 1.00 0.27 O ATOM 186 CB ALA A 19 60.629 24.488 -12.134 1.00 0.47 C ATOM 0 H ALA A 19 58.912 23.854 -10.054 1.00 0.33 H new ATOM 0 HA ALA A 19 59.282 23.007 -12.922 1.00 0.39 H new ATOM 0 HB1 ALA A 19 61.431 24.229 -12.826 1.00 0.47 H new ATOM 0 HB2 ALA A 19 60.061 25.328 -12.534 1.00 0.47 H new ATOM 0 HB3 ALA A 19 61.057 24.765 -11.171 1.00 0.47 H new ATOM 192 N ARG A 20 61.240 21.430 -12.218 1.00 0.36 N ATOM 193 CA ARG A 20 62.001 20.244 -11.745 1.00 0.37 C ATOM 194 C ARG A 20 62.998 20.655 -10.653 1.00 0.31 C ATOM 195 O ARG A 20 63.168 19.962 -9.669 1.00 0.34 O ATOM 196 CB ARG A 20 62.726 19.597 -12.932 1.00 0.46 C ATOM 197 CG ARG A 20 63.367 18.266 -12.495 1.00 0.55 C ATOM 198 CD ARG A 20 63.637 17.386 -13.723 1.00 1.08 C ATOM 199 NE ARG A 20 63.940 15.985 -13.276 1.00 1.80 N ATOM 200 CZ ARG A 20 64.961 15.717 -12.512 1.00 2.57 C ATOM 201 NH1 ARG A 20 65.826 16.649 -12.222 1.00 2.99 N ATOM 202 NH2 ARG A 20 65.140 14.505 -12.062 1.00 3.48 N ATOM 0 H ARG A 20 61.370 21.665 -13.202 1.00 0.36 H new ATOM 0 HA ARG A 20 61.312 19.517 -11.315 1.00 0.37 H new ATOM 0 HB2 ARG A 20 62.023 19.422 -13.746 1.00 0.46 H new ATOM 0 HB3 ARG A 20 63.493 20.272 -13.312 1.00 0.46 H new ATOM 0 HG2 ARG A 20 64.299 18.459 -11.963 1.00 0.55 H new ATOM 0 HG3 ARG A 20 62.707 17.745 -11.802 1.00 0.55 H new ATOM 0 HD2 ARG A 20 62.770 17.389 -14.384 1.00 1.08 H new ATOM 0 HD3 ARG A 20 64.475 17.786 -14.294 1.00 1.08 H new ATOM 0 HE ARG A 20 63.331 15.224 -13.578 1.00 1.80 H new ATOM 0 HH11 ARG A 20 65.704 17.591 -12.594 1.00 2.99 H new ATOM 0 HH12 ARG A 20 66.624 16.436 -11.624 1.00 2.99 H new ATOM 0 HH21 ARG A 20 64.480 13.767 -12.308 1.00 3.48 H new ATOM 0 HH22 ARG A 20 65.939 14.296 -11.464 1.00 3.48 H new ATOM 216 N ALA A 21 63.666 21.766 -10.815 1.00 0.29 N ATOM 217 CA ALA A 21 64.660 22.202 -9.786 1.00 0.32 C ATOM 218 C ALA A 21 64.009 22.245 -8.392 1.00 0.30 C ATOM 219 O ALA A 21 64.686 22.155 -7.387 1.00 0.36 O ATOM 220 CB ALA A 21 65.199 23.599 -10.159 1.00 0.37 C ATOM 0 H ALA A 21 63.568 22.392 -11.615 1.00 0.29 H new ATOM 0 HA ALA A 21 65.482 21.487 -9.759 1.00 0.32 H new ATOM 0 HB1 ALA A 21 65.924 23.921 -9.411 1.00 0.37 H new ATOM 0 HB2 ALA A 21 65.681 23.554 -11.136 1.00 0.37 H new ATOM 0 HB3 ALA A 21 64.374 24.310 -10.194 1.00 0.37 H new ATOM 226 N ASN A 22 62.710 22.390 -8.318 1.00 0.24 N ATOM 227 CA ASN A 22 62.034 22.448 -6.981 1.00 0.25 C ATOM 228 C ASN A 22 61.452 21.076 -6.630 1.00 0.24 C ATOM 229 O ASN A 22 60.978 20.864 -5.538 1.00 0.28 O ATOM 230 CB ASN A 22 60.899 23.472 -7.037 1.00 0.24 C ATOM 231 CG ASN A 22 60.340 23.699 -5.631 1.00 0.27 C ATOM 232 OD1 ASN A 22 60.904 23.237 -4.654 1.00 0.33 O ATOM 233 ND2 ASN A 22 59.246 24.396 -5.486 1.00 0.36 N ATOM 0 H ASN A 22 62.088 22.471 -9.122 1.00 0.24 H new ATOM 0 HA ASN A 22 62.762 22.736 -6.223 1.00 0.25 H new ATOM 0 HB2 ASN A 22 61.265 24.412 -7.450 1.00 0.24 H new ATOM 0 HB3 ASN A 22 60.109 23.118 -7.700 1.00 0.24 H new ATOM 0 HD21 ASN A 22 58.862 24.555 -4.554 1.00 0.36 H new ATOM 0 HD22 ASN A 22 58.775 24.782 -6.304 1.00 0.36 H new ATOM 240 N VAL A 23 61.487 20.146 -7.547 1.00 0.26 N ATOM 241 CA VAL A 23 60.933 18.777 -7.288 1.00 0.27 C ATOM 242 C VAL A 23 62.085 17.790 -7.108 1.00 0.31 C ATOM 243 O VAL A 23 63.110 17.891 -7.754 1.00 0.44 O ATOM 244 CB VAL A 23 60.067 18.357 -8.492 1.00 0.28 C ATOM 245 CG1 VAL A 23 59.845 16.839 -8.511 1.00 0.32 C ATOM 246 CG2 VAL A 23 58.706 19.064 -8.424 1.00 0.28 C ATOM 0 H VAL A 23 61.881 20.275 -8.479 1.00 0.26 H new ATOM 0 HA VAL A 23 60.325 18.783 -6.383 1.00 0.27 H new ATOM 0 HB VAL A 23 60.593 18.644 -9.403 1.00 0.28 H new ATOM 0 HG11 VAL A 23 59.231 16.572 -9.371 1.00 0.32 H new ATOM 0 HG12 VAL A 23 60.807 16.331 -8.580 1.00 0.32 H new ATOM 0 HG13 VAL A 23 59.339 16.534 -7.595 1.00 0.32 H new ATOM 0 HG21 VAL A 23 58.097 18.764 -9.277 1.00 0.28 H new ATOM 0 HG22 VAL A 23 58.198 18.787 -7.500 1.00 0.28 H new ATOM 0 HG23 VAL A 23 58.855 20.144 -8.446 1.00 0.28 H new ATOM 256 N LYS A 24 61.920 16.825 -6.239 1.00 0.26 N ATOM 257 CA LYS A 24 63.003 15.820 -6.025 1.00 0.30 C ATOM 258 C LYS A 24 62.702 14.575 -6.867 1.00 0.30 C ATOM 259 O LYS A 24 63.587 13.986 -7.456 1.00 0.35 O ATOM 260 CB LYS A 24 63.051 15.429 -4.549 1.00 0.35 C ATOM 261 CG LYS A 24 64.259 14.525 -4.318 1.00 0.42 C ATOM 262 CD LYS A 24 64.373 14.175 -2.831 1.00 0.87 C ATOM 263 CE LYS A 24 65.618 13.299 -2.592 1.00 1.17 C ATOM 264 NZ LYS A 24 65.314 12.296 -1.535 1.00 1.93 N ATOM 0 H LYS A 24 61.084 16.690 -5.670 1.00 0.26 H new ATOM 0 HA LYS A 24 63.962 16.246 -6.320 1.00 0.30 H new ATOM 0 HB2 LYS A 24 63.122 16.320 -3.925 1.00 0.35 H new ATOM 0 HB3 LYS A 24 62.134 14.913 -4.265 1.00 0.35 H new ATOM 0 HG2 LYS A 24 64.160 13.614 -4.908 1.00 0.42 H new ATOM 0 HG3 LYS A 24 65.168 15.025 -4.653 1.00 0.42 H new ATOM 0 HD2 LYS A 24 64.440 15.087 -2.238 1.00 0.87 H new ATOM 0 HD3 LYS A 24 63.478 13.647 -2.503 1.00 0.87 H new ATOM 0 HE2 LYS A 24 65.907 12.796 -3.515 1.00 1.17 H new ATOM 0 HE3 LYS A 24 66.462 13.919 -2.290 1.00 1.17 H new ATOM 0 HZ1 LYS A 24 66.151 11.702 -1.369 1.00 1.93 H new ATOM 0 HZ2 LYS A 24 65.058 12.786 -0.654 1.00 1.93 H new ATOM 0 HZ3 LYS A 24 64.520 11.698 -1.842 1.00 1.93 H new ATOM 278 N HIS A 25 61.458 14.184 -6.949 1.00 0.26 N ATOM 279 CA HIS A 25 61.102 12.993 -7.777 1.00 0.28 C ATOM 280 C HIS A 25 59.629 13.069 -8.188 1.00 0.23 C ATOM 281 O HIS A 25 58.817 13.694 -7.526 1.00 0.23 O ATOM 282 CB HIS A 25 61.357 11.698 -6.999 1.00 0.35 C ATOM 283 CG HIS A 25 60.553 11.682 -5.730 1.00 0.54 C ATOM 284 ND1 HIS A 25 61.136 11.879 -4.491 1.00 0.84 N ATOM 285 CD2 HIS A 25 59.220 11.462 -5.488 1.00 0.78 C ATOM 286 CE1 HIS A 25 60.170 11.770 -3.566 1.00 1.07 C ATOM 287 NE2 HIS A 25 58.979 11.517 -4.118 1.00 1.04 N ATOM 0 H HIS A 25 60.674 14.636 -6.480 1.00 0.26 H new ATOM 0 HA HIS A 25 61.728 12.991 -8.669 1.00 0.28 H new ATOM 0 HB2 HIS A 25 61.093 10.838 -7.615 1.00 0.35 H new ATOM 0 HB3 HIS A 25 62.418 11.609 -6.766 1.00 0.35 H new ATOM 0 HD2 HIS A 25 58.472 11.275 -6.245 1.00 0.78 H new ATOM 0 HE1 HIS A 25 60.335 11.874 -2.504 1.00 1.07 H new ATOM 0 HE2 HIS A 25 58.087 11.391 -3.639 1.00 1.04 H new ATOM 295 N LEU A 26 59.285 12.432 -9.283 1.00 0.24 N ATOM 296 CA LEU A 26 57.872 12.440 -9.777 1.00 0.22 C ATOM 297 C LEU A 26 57.274 11.041 -9.618 1.00 0.23 C ATOM 298 O LEU A 26 57.896 10.053 -9.952 1.00 0.26 O ATOM 299 CB LEU A 26 57.858 12.812 -11.267 1.00 0.25 C ATOM 300 CG LEU A 26 58.113 14.320 -11.446 1.00 0.23 C ATOM 301 CD1 LEU A 26 58.581 14.591 -12.893 1.00 0.28 C ATOM 302 CD2 LEU A 26 56.821 15.127 -11.150 1.00 0.24 C ATOM 0 H LEU A 26 59.934 11.900 -9.863 1.00 0.24 H new ATOM 0 HA LEU A 26 57.291 13.163 -9.205 1.00 0.22 H new ATOM 0 HB2 LEU A 26 58.621 12.242 -11.798 1.00 0.25 H new ATOM 0 HB3 LEU A 26 56.897 12.545 -11.706 1.00 0.25 H new ATOM 0 HG LEU A 26 58.886 14.636 -10.746 1.00 0.23 H new ATOM 0 HD11 LEU A 26 58.762 15.658 -13.023 1.00 0.28 H new ATOM 0 HD12 LEU A 26 59.501 14.040 -13.087 1.00 0.28 H new ATOM 0 HD13 LEU A 26 57.810 14.266 -13.592 1.00 0.28 H new ATOM 0 HD21 LEU A 26 57.018 16.191 -11.281 1.00 0.24 H new ATOM 0 HD22 LEU A 26 56.033 14.817 -11.836 1.00 0.24 H new ATOM 0 HD23 LEU A 26 56.503 14.941 -10.124 1.00 0.24 H new ATOM 314 N LYS A 27 56.066 10.953 -9.118 1.00 0.23 N ATOM 315 CA LYS A 27 55.407 9.621 -8.938 1.00 0.26 C ATOM 316 C LYS A 27 54.217 9.526 -9.897 1.00 0.23 C ATOM 317 O LYS A 27 53.361 10.385 -9.921 1.00 0.23 O ATOM 318 CB LYS A 27 54.921 9.505 -7.493 1.00 0.31 C ATOM 319 CG LYS A 27 54.361 8.106 -7.247 1.00 0.35 C ATOM 320 CD LYS A 27 53.973 7.972 -5.775 1.00 0.44 C ATOM 321 CE LYS A 27 53.430 6.567 -5.514 1.00 1.16 C ATOM 322 NZ LYS A 27 52.744 6.540 -4.191 1.00 1.71 N ATOM 0 H LYS A 27 55.504 11.752 -8.825 1.00 0.23 H new ATOM 0 HA LYS A 27 56.109 8.815 -9.151 1.00 0.26 H new ATOM 0 HB2 LYS A 27 55.744 9.704 -6.806 1.00 0.31 H new ATOM 0 HB3 LYS A 27 54.154 10.254 -7.296 1.00 0.31 H new ATOM 0 HG2 LYS A 27 53.492 7.932 -7.882 1.00 0.35 H new ATOM 0 HG3 LYS A 27 55.104 7.353 -7.510 1.00 0.35 H new ATOM 0 HD2 LYS A 27 54.839 8.162 -5.141 1.00 0.44 H new ATOM 0 HD3 LYS A 27 53.221 8.717 -5.517 1.00 0.44 H new ATOM 0 HE2 LYS A 27 52.734 6.282 -6.303 1.00 1.16 H new ATOM 0 HE3 LYS A 27 54.244 5.842 -5.529 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 52.374 5.585 -4.011 1.00 1.71 H new ATOM 0 HZ2 LYS A 27 53.421 6.795 -3.444 1.00 1.71 H new ATOM 0 HZ3 LYS A 27 51.958 7.221 -4.194 1.00 1.71 H new ATOM 336 N ILE A 28 54.170 8.495 -10.701 1.00 0.24 N ATOM 337 CA ILE A 28 53.050 8.343 -11.684 1.00 0.23 C ATOM 338 C ILE A 28 51.945 7.475 -11.082 1.00 0.24 C ATOM 339 O ILE A 28 52.211 6.445 -10.494 1.00 0.27 O ATOM 340 CB ILE A 28 53.585 7.669 -12.953 1.00 0.28 C ATOM 341 CG1 ILE A 28 54.917 8.316 -13.359 1.00 0.36 C ATOM 342 CG2 ILE A 28 52.566 7.825 -14.087 1.00 0.35 C ATOM 343 CD1 ILE A 28 54.763 9.836 -13.419 1.00 0.50 C ATOM 0 H ILE A 28 54.863 7.746 -10.720 1.00 0.24 H new ATOM 0 HA ILE A 28 52.645 9.326 -11.925 1.00 0.23 H new ATOM 0 HB ILE A 28 53.746 6.609 -12.758 1.00 0.28 H new ATOM 0 HG12 ILE A 28 55.694 8.049 -12.643 1.00 0.36 H new ATOM 0 HG13 ILE A 28 55.234 7.936 -14.330 1.00 0.36 H new ATOM 0 HG21 ILE A 28 52.948 7.345 -14.988 1.00 0.35 H new ATOM 0 HG22 ILE A 28 51.625 7.357 -13.798 1.00 0.35 H new ATOM 0 HG23 ILE A 28 52.399 8.884 -14.283 1.00 0.35 H new ATOM 0 HD11 ILE A 28 55.712 10.287 -13.708 1.00 0.50 H new ATOM 0 HD12 ILE A 28 54.000 10.096 -14.153 1.00 0.50 H new ATOM 0 HD13 ILE A 28 54.467 10.211 -12.439 1.00 0.50 H new ATOM 355 N LEU A 29 50.700 7.871 -11.232 1.00 0.25 N ATOM 356 CA LEU A 29 49.566 7.063 -10.685 1.00 0.29 C ATOM 357 C LEU A 29 48.513 6.879 -11.783 1.00 0.33 C ATOM 358 O LEU A 29 47.944 7.836 -12.273 1.00 0.36 O ATOM 359 CB LEU A 29 48.937 7.808 -9.505 1.00 0.28 C ATOM 360 CG LEU A 29 49.943 7.877 -8.341 1.00 0.38 C ATOM 361 CD1 LEU A 29 49.410 8.810 -7.220 1.00 0.45 C ATOM 362 CD2 LEU A 29 50.215 6.451 -7.794 1.00 0.51 C ATOM 0 H LEU A 29 50.422 8.726 -11.714 1.00 0.25 H new ATOM 0 HA LEU A 29 49.930 6.091 -10.351 1.00 0.29 H new ATOM 0 HB2 LEU A 29 48.648 8.814 -9.809 1.00 0.28 H new ATOM 0 HB3 LEU A 29 48.028 7.299 -9.184 1.00 0.28 H new ATOM 0 HG LEU A 29 50.882 8.292 -8.706 1.00 0.38 H new ATOM 0 HD11 LEU A 29 50.132 8.848 -6.404 1.00 0.45 H new ATOM 0 HD12 LEU A 29 49.262 9.813 -7.621 1.00 0.45 H new ATOM 0 HD13 LEU A 29 48.461 8.425 -6.847 1.00 0.45 H new ATOM 0 HD21 LEU A 29 50.927 6.507 -6.971 1.00 0.51 H new ATOM 0 HD22 LEU A 29 49.282 6.014 -7.438 1.00 0.51 H new ATOM 0 HD23 LEU A 29 50.627 5.829 -8.589 1.00 0.51 H new ATOM 374 N ASN A 30 48.237 5.658 -12.172 1.00 0.46 N ATOM 375 CA ASN A 30 47.210 5.419 -13.238 1.00 0.54 C ATOM 376 C ASN A 30 45.887 5.042 -12.570 1.00 0.50 C ATOM 377 O ASN A 30 45.541 3.884 -12.467 1.00 0.73 O ATOM 378 CB ASN A 30 47.677 4.269 -14.142 1.00 0.80 C ATOM 379 CG ASN A 30 48.717 4.786 -15.139 1.00 0.86 C ATOM 380 OD1 ASN A 30 48.526 4.694 -16.335 1.00 1.50 O ATOM 381 ND2 ASN A 30 49.813 5.338 -14.695 1.00 1.34 N ATOM 0 H ASN A 30 48.677 4.817 -11.799 1.00 0.46 H new ATOM 0 HA ASN A 30 47.077 6.318 -13.839 1.00 0.54 H new ATOM 0 HB2 ASN A 30 48.105 3.469 -13.538 1.00 0.80 H new ATOM 0 HB3 ASN A 30 46.827 3.845 -14.676 1.00 0.80 H new ATOM 0 HD21 ASN A 30 50.508 5.692 -15.352 1.00 1.34 H new ATOM 0 HD22 ASN A 30 49.974 5.416 -13.691 1.00 1.34 H new ATOM 388 N THR A 31 45.163 6.020 -12.087 1.00 0.33 N ATOM 389 CA THR A 31 43.877 5.734 -11.383 1.00 0.42 C ATOM 390 C THR A 31 42.676 5.921 -12.337 1.00 0.35 C ATOM 391 O THR A 31 42.358 7.034 -12.705 1.00 0.48 O ATOM 392 CB THR A 31 43.755 6.715 -10.211 1.00 0.59 C ATOM 393 OG1 THR A 31 43.603 8.033 -10.722 1.00 0.70 O ATOM 394 CG2 THR A 31 45.025 6.652 -9.329 1.00 0.65 C ATOM 0 H THR A 31 45.409 7.008 -12.151 1.00 0.33 H new ATOM 0 HA THR A 31 43.873 4.702 -11.032 1.00 0.42 H new ATOM 0 HB THR A 31 42.889 6.446 -9.606 1.00 0.59 H new ATOM 0 HG1 THR A 31 43.446 7.993 -11.689 1.00 0.70 H new ATOM 0 HG21 THR A 31 44.927 7.353 -8.500 1.00 0.65 H new ATOM 0 HG22 THR A 31 45.147 5.642 -8.938 1.00 0.65 H new ATOM 0 HG23 THR A 31 45.897 6.917 -9.927 1.00 0.65 H new ATOM 402 N PRO A 32 41.990 4.855 -12.724 1.00 0.38 N ATOM 403 CA PRO A 32 40.803 4.972 -13.618 1.00 0.37 C ATOM 404 C PRO A 32 39.630 5.646 -12.895 1.00 0.33 C ATOM 405 O PRO A 32 38.558 5.808 -13.443 1.00 0.38 O ATOM 406 CB PRO A 32 40.440 3.523 -14.026 1.00 0.48 C ATOM 407 CG PRO A 32 41.358 2.600 -13.263 1.00 0.88 C ATOM 408 CD PRO A 32 42.271 3.453 -12.364 1.00 0.62 C ATOM 0 HA PRO A 32 41.021 5.591 -14.488 1.00 0.37 H new ATOM 0 HB2 PRO A 32 39.397 3.308 -13.792 1.00 0.48 H new ATOM 0 HB3 PRO A 32 40.561 3.384 -15.100 1.00 0.48 H new ATOM 0 HG2 PRO A 32 40.777 1.902 -12.660 1.00 0.88 H new ATOM 0 HG3 PRO A 32 41.955 2.004 -13.953 1.00 0.88 H new ATOM 0 HD2 PRO A 32 42.063 3.270 -11.310 1.00 0.62 H new ATOM 0 HD3 PRO A 32 43.321 3.209 -12.529 1.00 0.62 H new ATOM 416 N ASN A 33 39.838 6.056 -11.671 1.00 0.33 N ATOM 417 CA ASN A 33 38.754 6.746 -10.909 1.00 0.38 C ATOM 418 C ASN A 33 38.968 8.255 -11.019 1.00 0.35 C ATOM 419 O ASN A 33 38.075 9.041 -10.770 1.00 0.39 O ATOM 420 CB ASN A 33 38.802 6.326 -9.436 1.00 0.47 C ATOM 421 CG ASN A 33 38.405 4.853 -9.307 1.00 0.51 C ATOM 422 OD1 ASN A 33 37.550 4.376 -10.027 1.00 1.12 O ATOM 423 ND2 ASN A 33 38.994 4.107 -8.412 1.00 1.23 N ATOM 0 H ASN A 33 40.716 5.942 -11.164 1.00 0.33 H new ATOM 0 HA ASN A 33 37.782 6.473 -11.320 1.00 0.38 H new ATOM 0 HB2 ASN A 33 39.805 6.479 -9.037 1.00 0.47 H new ATOM 0 HB3 ASN A 33 38.127 6.948 -8.848 1.00 0.47 H new ATOM 0 HD21 ASN A 33 38.736 3.125 -8.317 1.00 1.23 H new ATOM 0 HD22 ASN A 33 39.712 4.507 -7.807 1.00 1.23 H new ATOM 430 N CYS A 34 40.159 8.665 -11.387 1.00 0.33 N ATOM 431 CA CYS A 34 40.458 10.125 -11.513 1.00 0.35 C ATOM 432 C CYS A 34 41.312 10.375 -12.764 1.00 0.33 C ATOM 433 O CYS A 34 41.688 11.494 -13.052 1.00 0.36 O ATOM 434 CB CYS A 34 41.217 10.581 -10.272 1.00 0.39 C ATOM 435 SG CYS A 34 40.267 10.134 -8.801 1.00 0.43 S ATOM 0 H CYS A 34 40.940 8.047 -11.606 1.00 0.33 H new ATOM 0 HA CYS A 34 39.527 10.685 -11.604 1.00 0.35 H new ATOM 0 HB2 CYS A 34 42.201 10.114 -10.240 1.00 0.39 H new ATOM 0 HB3 CYS A 34 41.377 11.659 -10.304 1.00 0.39 H new ATOM 440 N ALA A 35 41.635 9.326 -13.486 1.00 0.31 N ATOM 441 CA ALA A 35 42.477 9.436 -14.725 1.00 0.31 C ATOM 442 C ALA A 35 43.967 9.400 -14.336 1.00 0.28 C ATOM 443 O ALA A 35 44.343 8.834 -13.320 1.00 0.30 O ATOM 444 CB ALA A 35 42.139 10.720 -15.536 1.00 0.36 C ATOM 0 H ALA A 35 41.343 8.374 -13.263 1.00 0.31 H new ATOM 0 HA ALA A 35 42.256 8.587 -15.373 1.00 0.31 H new ATOM 0 HB1 ALA A 35 42.768 10.765 -16.425 1.00 0.36 H new ATOM 0 HB2 ALA A 35 41.091 10.697 -15.834 1.00 0.36 H new ATOM 0 HB3 ALA A 35 42.321 11.599 -14.918 1.00 0.36 H new ATOM 450 N LEU A 36 44.820 9.977 -15.143 1.00 0.27 N ATOM 451 CA LEU A 36 46.283 9.964 -14.832 1.00 0.27 C ATOM 452 C LEU A 36 46.631 11.157 -13.938 1.00 0.25 C ATOM 453 O LEU A 36 46.300 12.287 -14.239 1.00 0.30 O ATOM 454 CB LEU A 36 47.078 10.042 -16.150 1.00 0.34 C ATOM 455 CG LEU A 36 48.593 10.241 -15.895 1.00 0.37 C ATOM 456 CD1 LEU A 36 49.163 9.048 -15.110 1.00 0.38 C ATOM 457 CD2 LEU A 36 49.342 10.391 -17.249 1.00 0.46 C ATOM 0 H LEU A 36 44.567 10.458 -16.006 1.00 0.27 H new ATOM 0 HA LEU A 36 46.541 9.044 -14.307 1.00 0.27 H new ATOM 0 HB2 LEU A 36 46.923 9.128 -16.723 1.00 0.34 H new ATOM 0 HB3 LEU A 36 46.700 10.866 -16.755 1.00 0.34 H new ATOM 0 HG LEU A 36 48.734 11.147 -15.306 1.00 0.37 H new ATOM 0 HD11 LEU A 36 50.228 9.201 -14.938 1.00 0.38 H new ATOM 0 HD12 LEU A 36 48.649 8.964 -14.152 1.00 0.38 H new ATOM 0 HD13 LEU A 36 49.016 8.132 -15.682 1.00 0.38 H new ATOM 0 HD21 LEU A 36 50.407 10.531 -17.062 1.00 0.46 H new ATOM 0 HD22 LEU A 36 49.193 9.493 -17.848 1.00 0.46 H new ATOM 0 HD23 LEU A 36 48.952 11.255 -17.787 1.00 0.46 H new ATOM 469 N GLN A 37 47.321 10.915 -12.852 1.00 0.22 N ATOM 470 CA GLN A 37 47.725 12.029 -11.941 1.00 0.26 C ATOM 471 C GLN A 37 49.163 11.797 -11.493 1.00 0.22 C ATOM 472 O GLN A 37 49.600 10.672 -11.339 1.00 0.22 O ATOM 473 CB GLN A 37 46.814 12.070 -10.716 1.00 0.32 C ATOM 474 CG GLN A 37 45.428 12.553 -11.133 1.00 0.36 C ATOM 475 CD GLN A 37 44.534 12.645 -9.899 1.00 0.40 C ATOM 476 OE1 GLN A 37 44.978 12.411 -8.793 1.00 0.57 O ATOM 477 NE2 GLN A 37 43.286 12.985 -10.042 1.00 0.85 N ATOM 0 H GLN A 37 47.624 9.987 -12.556 1.00 0.22 H new ATOM 0 HA GLN A 37 47.641 12.978 -12.471 1.00 0.26 H new ATOM 0 HB2 GLN A 37 46.746 11.080 -10.266 1.00 0.32 H new ATOM 0 HB3 GLN A 37 47.231 12.736 -9.960 1.00 0.32 H new ATOM 0 HG2 GLN A 37 45.500 13.527 -11.618 1.00 0.36 H new ATOM 0 HG3 GLN A 37 44.994 11.866 -11.860 1.00 0.36 H new ATOM 0 HE21 GLN A 37 42.914 13.181 -10.971 1.00 0.85 H new ATOM 0 HE22 GLN A 37 42.680 13.055 -9.225 1.00 0.85 H new ATOM 486 N ILE A 38 49.905 12.855 -11.299 1.00 0.23 N ATOM 487 CA ILE A 38 51.331 12.725 -10.875 1.00 0.22 C ATOM 488 C ILE A 38 51.558 13.503 -9.586 1.00 0.23 C ATOM 489 O ILE A 38 51.142 14.642 -9.454 1.00 0.24 O ATOM 490 CB ILE A 38 52.224 13.285 -11.974 1.00 0.24 C ATOM 491 CG1 ILE A 38 51.977 12.480 -13.258 1.00 0.24 C ATOM 492 CG2 ILE A 38 53.701 13.181 -11.561 1.00 0.25 C ATOM 493 CD1 ILE A 38 52.876 12.988 -14.391 1.00 0.28 C ATOM 0 H ILE A 38 49.580 13.815 -11.418 1.00 0.23 H new ATOM 0 HA ILE A 38 51.569 11.676 -10.702 1.00 0.22 H new ATOM 0 HB ILE A 38 51.990 14.336 -12.143 1.00 0.24 H new ATOM 0 HG12 ILE A 38 52.174 11.424 -13.075 1.00 0.24 H new ATOM 0 HG13 ILE A 38 50.930 12.563 -13.551 1.00 0.24 H new ATOM 0 HG21 ILE A 38 54.330 13.584 -12.355 1.00 0.25 H new ATOM 0 HG22 ILE A 38 53.864 13.749 -10.645 1.00 0.25 H new ATOM 0 HG23 ILE A 38 53.958 12.136 -11.390 1.00 0.25 H new ATOM 0 HD11 ILE A 38 52.688 12.406 -15.293 1.00 0.28 H new ATOM 0 HD12 ILE A 38 52.659 14.038 -14.585 1.00 0.28 H new ATOM 0 HD13 ILE A 38 53.921 12.881 -14.102 1.00 0.28 H new ATOM 505 N VAL A 39 52.227 12.903 -8.632 1.00 0.25 N ATOM 506 CA VAL A 39 52.501 13.587 -7.338 1.00 0.26 C ATOM 507 C VAL A 39 54.001 13.845 -7.252 1.00 0.25 C ATOM 508 O VAL A 39 54.808 13.019 -7.632 1.00 0.29 O ATOM 509 CB VAL A 39 52.064 12.670 -6.185 1.00 0.32 C ATOM 510 CG1 VAL A 39 52.540 13.243 -4.841 1.00 0.48 C ATOM 511 CG2 VAL A 39 50.527 12.536 -6.174 1.00 0.43 C ATOM 0 H VAL A 39 52.598 11.955 -8.700 1.00 0.25 H new ATOM 0 HA VAL A 39 51.954 14.528 -7.272 1.00 0.26 H new ATOM 0 HB VAL A 39 52.512 11.687 -6.331 1.00 0.32 H new ATOM 0 HG11 VAL A 39 52.224 12.584 -4.032 1.00 0.48 H new ATOM 0 HG12 VAL A 39 53.627 13.320 -4.843 1.00 0.48 H new ATOM 0 HG13 VAL A 39 52.107 14.232 -4.693 1.00 0.48 H new ATOM 0 HG21 VAL A 39 50.224 11.885 -5.354 1.00 0.43 H new ATOM 0 HG22 VAL A 39 50.077 13.520 -6.041 1.00 0.43 H new ATOM 0 HG23 VAL A 39 50.192 12.109 -7.119 1.00 0.43 H new ATOM 521 N ALA A 40 54.381 14.996 -6.772 1.00 0.22 N ATOM 522 CA ALA A 40 55.828 15.337 -6.668 1.00 0.23 C ATOM 523 C ALA A 40 56.081 16.010 -5.323 1.00 0.19 C ATOM 524 O ALA A 40 55.184 16.585 -4.739 1.00 0.22 O ATOM 525 CB ALA A 40 56.192 16.289 -7.807 1.00 0.28 C ATOM 0 H ALA A 40 53.745 15.723 -6.444 1.00 0.22 H new ATOM 0 HA ALA A 40 56.439 14.437 -6.740 1.00 0.23 H new ATOM 0 HB1 ALA A 40 57.249 16.546 -7.742 1.00 0.28 H new ATOM 0 HB2 ALA A 40 55.994 15.805 -8.763 1.00 0.28 H new ATOM 0 HB3 ALA A 40 55.592 17.196 -7.729 1.00 0.28 H new ATOM 531 N ARG A 41 57.289 15.933 -4.816 1.00 0.20 N ATOM 532 CA ARG A 41 57.588 16.563 -3.487 1.00 0.22 C ATOM 533 C ARG A 41 58.514 17.769 -3.661 1.00 0.18 C ATOM 534 O ARG A 41 59.453 17.739 -4.436 1.00 0.24 O ATOM 535 CB ARG A 41 58.260 15.531 -2.576 1.00 0.31 C ATOM 536 CG ARG A 41 57.338 14.318 -2.422 1.00 0.44 C ATOM 537 CD ARG A 41 57.771 13.481 -1.220 1.00 1.11 C ATOM 538 NE ARG A 41 56.821 12.348 -1.050 1.00 1.39 N ATOM 539 CZ ARG A 41 57.139 11.341 -0.286 1.00 1.90 C ATOM 540 NH1 ARG A 41 58.313 11.300 0.278 1.00 2.56 N ATOM 541 NH2 ARG A 41 56.286 10.372 -0.097 1.00 2.40 N ATOM 0 H ARG A 41 58.078 15.464 -5.261 1.00 0.20 H new ATOM 0 HA ARG A 41 56.653 16.901 -3.039 1.00 0.22 H new ATOM 0 HB2 ARG A 41 59.217 15.224 -2.998 1.00 0.31 H new ATOM 0 HB3 ARG A 41 58.468 15.970 -1.601 1.00 0.31 H new ATOM 0 HG2 ARG A 41 56.307 14.648 -2.293 1.00 0.44 H new ATOM 0 HG3 ARG A 41 57.367 13.712 -3.327 1.00 0.44 H new ATOM 0 HD2 ARG A 41 58.783 13.104 -1.369 1.00 1.11 H new ATOM 0 HD3 ARG A 41 57.789 14.096 -0.320 1.00 1.11 H new ATOM 0 HE ARG A 41 55.922 12.360 -1.531 1.00 1.39 H new ATOM 0 HH11 ARG A 41 58.981 12.055 0.121 1.00 2.56 H new ATOM 0 HH12 ARG A 41 58.564 10.513 0.876 1.00 2.56 H new ATOM 0 HH21 ARG A 41 55.371 10.403 -0.547 1.00 2.40 H new ATOM 0 HH22 ARG A 41 56.534 9.584 0.501 1.00 2.40 H new ATOM 555 N LEU A 42 58.253 18.835 -2.942 1.00 0.19 N ATOM 556 CA LEU A 42 59.122 20.038 -3.083 1.00 0.23 C ATOM 557 C LEU A 42 60.450 19.768 -2.383 1.00 0.29 C ATOM 558 O LEU A 42 60.499 19.425 -1.226 1.00 0.33 O ATOM 559 CB LEU A 42 58.473 21.284 -2.447 1.00 0.31 C ATOM 560 CG LEU A 42 57.074 21.585 -3.036 1.00 0.30 C ATOM 561 CD1 LEU A 42 56.398 22.697 -2.189 1.00 0.39 C ATOM 562 CD2 LEU A 42 57.166 22.050 -4.515 1.00 0.31 C ATOM 0 H LEU A 42 57.487 18.921 -2.274 1.00 0.19 H new ATOM 0 HA LEU A 42 59.268 20.232 -4.146 1.00 0.23 H new ATOM 0 HB2 LEU A 42 58.387 21.136 -1.370 1.00 0.31 H new ATOM 0 HB3 LEU A 42 59.122 22.146 -2.600 1.00 0.31 H new ATOM 0 HG LEU A 42 56.485 20.668 -3.007 1.00 0.30 H new ATOM 0 HD11 LEU A 42 55.411 22.916 -2.597 1.00 0.39 H new ATOM 0 HD12 LEU A 42 56.298 22.358 -1.158 1.00 0.39 H new ATOM 0 HD13 LEU A 42 57.010 23.598 -2.217 1.00 0.39 H new ATOM 0 HD21 LEU A 42 56.165 22.252 -4.896 1.00 0.31 H new ATOM 0 HD22 LEU A 42 57.767 22.957 -4.574 1.00 0.31 H new ATOM 0 HD23 LEU A 42 57.631 21.267 -5.114 1.00 0.31 H new ATOM 574 N LYS A 43 61.524 19.929 -3.097 1.00 0.33 N ATOM 575 CA LYS A 43 62.870 19.678 -2.514 1.00 0.41 C ATOM 576 C LYS A 43 63.146 20.678 -1.390 1.00 0.43 C ATOM 577 O LYS A 43 63.788 20.359 -0.409 1.00 0.51 O ATOM 578 CB LYS A 43 63.921 19.829 -3.612 1.00 0.47 C ATOM 579 CG LYS A 43 65.281 19.367 -3.095 1.00 0.57 C ATOM 580 CD LYS A 43 66.286 19.409 -4.245 1.00 0.67 C ATOM 581 CE LYS A 43 67.648 18.920 -3.757 1.00 1.31 C ATOM 582 NZ LYS A 43 68.595 18.873 -4.905 1.00 1.92 N ATOM 0 H LYS A 43 61.528 20.228 -4.072 1.00 0.33 H new ATOM 0 HA LYS A 43 62.909 18.669 -2.103 1.00 0.41 H new ATOM 0 HB2 LYS A 43 63.635 19.242 -4.485 1.00 0.47 H new ATOM 0 HB3 LYS A 43 63.978 20.869 -3.933 1.00 0.47 H new ATOM 0 HG2 LYS A 43 65.613 20.010 -2.280 1.00 0.57 H new ATOM 0 HG3 LYS A 43 65.209 18.356 -2.694 1.00 0.57 H new ATOM 0 HD2 LYS A 43 65.938 18.784 -5.068 1.00 0.67 H new ATOM 0 HD3 LYS A 43 66.370 20.425 -4.630 1.00 0.67 H new ATOM 0 HE2 LYS A 43 68.030 19.585 -2.983 1.00 1.31 H new ATOM 0 HE3 LYS A 43 67.553 17.931 -3.309 1.00 1.31 H new ATOM 0 HZ1 LYS A 43 69.524 18.540 -4.576 1.00 1.92 H new ATOM 0 HZ2 LYS A 43 68.231 18.221 -5.629 1.00 1.92 H new ATOM 0 HZ3 LYS A 43 68.693 19.824 -5.313 1.00 1.92 H new ATOM 596 N ASN A 44 62.678 21.887 -1.526 1.00 0.39 N ATOM 597 CA ASN A 44 62.931 22.901 -0.464 1.00 0.44 C ATOM 598 C ASN A 44 62.489 22.368 0.903 1.00 0.50 C ATOM 599 O ASN A 44 63.301 22.071 1.756 1.00 0.57 O ATOM 600 CB ASN A 44 62.145 24.173 -0.787 1.00 0.45 C ATOM 601 CG ASN A 44 62.770 24.864 -2.000 1.00 0.51 C ATOM 602 OD1 ASN A 44 63.970 25.041 -2.061 1.00 1.22 O ATOM 603 ND2 ASN A 44 62.001 25.262 -2.976 1.00 1.10 N ATOM 0 H ASN A 44 62.133 22.216 -2.323 1.00 0.39 H new ATOM 0 HA ASN A 44 63.999 23.117 -0.429 1.00 0.44 H new ATOM 0 HB2 ASN A 44 61.103 23.927 -0.992 1.00 0.45 H new ATOM 0 HB3 ASN A 44 62.151 24.845 0.071 1.00 0.45 H new ATOM 0 HD21 ASN A 44 62.408 25.722 -3.791 1.00 1.10 H new ATOM 0 HD22 ASN A 44 60.993 25.113 -2.924 1.00 1.10 H new ATOM 610 N ASN A 45 61.205 22.275 1.129 1.00 0.51 N ATOM 611 CA ASN A 45 60.696 21.798 2.453 1.00 0.62 C ATOM 612 C ASN A 45 60.360 20.292 2.424 1.00 0.53 C ATOM 613 O ASN A 45 59.841 19.760 3.384 1.00 0.59 O ATOM 614 CB ASN A 45 59.444 22.615 2.800 1.00 0.71 C ATOM 615 CG ASN A 45 59.846 23.991 3.342 1.00 1.22 C ATOM 616 OD1 ASN A 45 60.893 24.139 3.940 1.00 1.85 O ATOM 617 ND2 ASN A 45 59.051 25.009 3.154 1.00 1.78 N ATOM 0 H ASN A 45 60.481 22.510 0.450 1.00 0.51 H new ATOM 0 HA ASN A 45 61.469 21.937 3.208 1.00 0.62 H new ATOM 0 HB2 ASN A 45 58.820 22.733 1.914 1.00 0.71 H new ATOM 0 HB3 ASN A 45 58.848 22.084 3.542 1.00 0.71 H new ATOM 0 HD21 ASN A 45 59.309 25.930 3.509 1.00 1.78 H new ATOM 0 HD22 ASN A 45 58.172 24.884 2.652 1.00 1.78 H new ATOM 624 N ASN A 46 60.648 19.604 1.343 1.00 0.43 N ATOM 625 CA ASN A 46 60.344 18.133 1.269 1.00 0.42 C ATOM 626 C ASN A 46 58.840 17.897 1.451 1.00 0.35 C ATOM 627 O ASN A 46 58.415 16.868 1.938 1.00 0.37 O ATOM 628 CB ASN A 46 61.123 17.381 2.359 1.00 0.56 C ATOM 629 CG ASN A 46 62.606 17.745 2.266 1.00 0.63 C ATOM 630 OD1 ASN A 46 63.118 18.477 3.089 1.00 1.24 O ATOM 631 ND2 ASN A 46 63.324 17.257 1.290 1.00 1.35 N ATOM 0 H ASN A 46 61.081 19.996 0.507 1.00 0.43 H new ATOM 0 HA ASN A 46 60.647 17.760 0.291 1.00 0.42 H new ATOM 0 HB2 ASN A 46 60.735 17.641 3.344 1.00 0.56 H new ATOM 0 HB3 ASN A 46 60.993 16.306 2.238 1.00 0.56 H new ATOM 0 HD21 ASN A 46 64.314 17.491 1.219 1.00 1.35 H new ATOM 0 HD22 ASN A 46 62.894 16.642 0.599 1.00 1.35 H new ATOM 638 N ARG A 47 58.034 18.841 1.051 1.00 0.33 N ATOM 639 CA ARG A 47 56.557 18.666 1.193 1.00 0.33 C ATOM 640 C ARG A 47 56.029 17.757 0.096 1.00 0.26 C ATOM 641 O ARG A 47 56.739 17.381 -0.808 1.00 0.27 O ATOM 642 CB ARG A 47 55.828 20.000 1.082 1.00 0.40 C ATOM 643 CG ARG A 47 56.221 20.896 2.243 1.00 0.60 C ATOM 644 CD ARG A 47 55.307 22.115 2.260 1.00 0.65 C ATOM 645 NE ARG A 47 55.745 22.995 3.384 1.00 1.50 N ATOM 646 CZ ARG A 47 55.035 24.020 3.746 1.00 2.27 C ATOM 647 NH1 ARG A 47 53.886 24.254 3.173 1.00 2.59 N ATOM 648 NH2 ARG A 47 55.465 24.803 4.695 1.00 3.30 N ATOM 0 H ARG A 47 58.330 19.723 0.633 1.00 0.33 H new ATOM 0 HA ARG A 47 56.377 18.231 2.176 1.00 0.33 H new ATOM 0 HB2 ARG A 47 56.076 20.483 0.137 1.00 0.40 H new ATOM 0 HB3 ARG A 47 54.750 19.838 1.084 1.00 0.40 H new ATOM 0 HG2 ARG A 47 56.139 20.351 3.184 1.00 0.60 H new ATOM 0 HG3 ARG A 47 57.261 21.207 2.144 1.00 0.60 H new ATOM 0 HD2 ARG A 47 55.364 22.649 1.312 1.00 0.65 H new ATOM 0 HD3 ARG A 47 54.268 21.812 2.393 1.00 0.65 H new ATOM 0 HE ARG A 47 56.615 22.788 3.875 1.00 1.50 H new ATOM 0 HH11 ARG A 47 53.545 23.631 2.440 1.00 2.59 H new ATOM 0 HH12 ARG A 47 53.329 25.059 3.458 1.00 2.59 H new ATOM 0 HH21 ARG A 47 56.357 24.610 5.151 1.00 3.30 H new ATOM 0 HH22 ARG A 47 54.910 25.609 4.982 1.00 3.30 H new ATOM 662 N GLN A 48 54.763 17.443 0.165 1.00 0.30 N ATOM 663 CA GLN A 48 54.117 16.594 -0.880 1.00 0.29 C ATOM 664 C GLN A 48 53.122 17.466 -1.637 1.00 0.30 C ATOM 665 O GLN A 48 52.128 17.904 -1.091 1.00 0.40 O ATOM 666 CB GLN A 48 53.394 15.420 -0.216 1.00 0.38 C ATOM 667 CG GLN A 48 52.783 14.513 -1.288 1.00 0.44 C ATOM 668 CD GLN A 48 52.185 13.272 -0.620 1.00 0.56 C ATOM 669 OE1 GLN A 48 52.167 13.170 0.590 1.00 0.92 O ATOM 670 NE2 GLN A 48 51.694 12.315 -1.361 1.00 0.87 N ATOM 0 H GLN A 48 54.139 17.744 0.913 1.00 0.30 H new ATOM 0 HA GLN A 48 54.863 16.192 -1.566 1.00 0.29 H new ATOM 0 HB2 GLN A 48 54.092 14.852 0.399 1.00 0.38 H new ATOM 0 HB3 GLN A 48 52.613 15.791 0.448 1.00 0.38 H new ATOM 0 HG2 GLN A 48 52.012 15.051 -1.839 1.00 0.44 H new ATOM 0 HG3 GLN A 48 53.545 14.220 -2.010 1.00 0.44 H new ATOM 0 HE21 GLN A 48 51.708 12.399 -2.377 1.00 0.87 H new ATOM 0 HE22 GLN A 48 51.296 11.484 -0.923 1.00 0.87 H new ATOM 679 N VAL A 49 53.396 17.741 -2.885 1.00 0.25 N ATOM 680 CA VAL A 49 52.493 18.613 -3.696 1.00 0.27 C ATOM 681 C VAL A 49 52.101 17.854 -4.967 1.00 0.28 C ATOM 682 O VAL A 49 52.786 16.949 -5.402 1.00 0.32 O ATOM 683 CB VAL A 49 53.263 19.911 -4.028 1.00 0.27 C ATOM 684 CG1 VAL A 49 52.520 20.791 -5.079 1.00 0.36 C ATOM 685 CG2 VAL A 49 53.446 20.697 -2.723 1.00 0.42 C ATOM 0 H VAL A 49 54.216 17.395 -3.383 1.00 0.25 H new ATOM 0 HA VAL A 49 51.582 18.870 -3.156 1.00 0.27 H new ATOM 0 HB VAL A 49 54.224 19.645 -4.468 1.00 0.27 H new ATOM 0 HG11 VAL A 49 53.103 21.691 -5.277 1.00 0.36 H new ATOM 0 HG12 VAL A 49 52.397 20.227 -6.004 1.00 0.36 H new ATOM 0 HG13 VAL A 49 51.540 21.071 -4.692 1.00 0.36 H new ATOM 0 HG21 VAL A 49 53.988 21.620 -2.927 1.00 0.42 H new ATOM 0 HG22 VAL A 49 52.469 20.935 -2.302 1.00 0.42 H new ATOM 0 HG23 VAL A 49 54.011 20.095 -2.012 1.00 0.42 H new ATOM 695 N CYS A 50 51.002 18.216 -5.567 1.00 0.33 N ATOM 696 CA CYS A 50 50.544 17.541 -6.811 1.00 0.38 C ATOM 697 C CYS A 50 50.903 18.417 -7.998 1.00 0.30 C ATOM 698 O CYS A 50 50.718 19.618 -7.974 1.00 0.28 O ATOM 699 CB CYS A 50 49.038 17.355 -6.733 1.00 0.52 C ATOM 700 SG CYS A 50 48.675 15.974 -5.628 1.00 0.69 S ATOM 0 H CYS A 50 50.391 18.965 -5.241 1.00 0.33 H new ATOM 0 HA CYS A 50 51.023 16.568 -6.924 1.00 0.38 H new ATOM 0 HB2 CYS A 50 48.564 18.266 -6.366 1.00 0.52 H new ATOM 0 HB3 CYS A 50 48.630 17.161 -7.725 1.00 0.52 H new ATOM 705 N ILE A 51 51.440 17.827 -9.032 1.00 0.31 N ATOM 706 CA ILE A 51 51.853 18.621 -10.229 1.00 0.30 C ATOM 707 C ILE A 51 50.950 18.286 -11.420 1.00 0.29 C ATOM 708 O ILE A 51 50.608 17.144 -11.658 1.00 0.38 O ATOM 709 CB ILE A 51 53.299 18.283 -10.584 1.00 0.38 C ATOM 710 CG1 ILE A 51 54.179 18.279 -9.318 1.00 0.38 C ATOM 711 CG2 ILE A 51 53.828 19.316 -11.583 1.00 0.43 C ATOM 712 CD1 ILE A 51 54.089 19.618 -8.572 1.00 0.34 C ATOM 0 H ILE A 51 51.612 16.824 -9.101 1.00 0.31 H new ATOM 0 HA ILE A 51 51.764 19.683 -10.000 1.00 0.30 H new ATOM 0 HB ILE A 51 53.333 17.289 -11.030 1.00 0.38 H new ATOM 0 HG12 ILE A 51 53.866 17.470 -8.657 1.00 0.38 H new ATOM 0 HG13 ILE A 51 55.215 18.083 -9.593 1.00 0.38 H new ATOM 0 HG21 ILE A 51 54.860 19.079 -11.839 1.00 0.43 H new ATOM 0 HG22 ILE A 51 53.216 19.296 -12.485 1.00 0.43 H new ATOM 0 HG23 ILE A 51 53.784 20.309 -11.137 1.00 0.43 H new ATOM 0 HD11 ILE A 51 54.721 19.583 -7.684 1.00 0.34 H new ATOM 0 HD12 ILE A 51 54.426 20.422 -9.226 1.00 0.34 H new ATOM 0 HD13 ILE A 51 53.056 19.801 -8.275 1.00 0.34 H new ATOM 724 N ASP A 52 50.560 19.286 -12.162 1.00 0.24 N ATOM 725 CA ASP A 52 49.671 19.061 -13.339 1.00 0.25 C ATOM 726 C ASP A 52 50.435 18.276 -14.431 1.00 0.26 C ATOM 727 O ASP A 52 51.479 18.715 -14.881 1.00 0.26 O ATOM 728 CB ASP A 52 49.247 20.431 -13.881 1.00 0.28 C ATOM 729 CG ASP A 52 48.150 20.268 -14.933 1.00 0.44 C ATOM 730 OD1 ASP A 52 48.007 19.176 -15.446 1.00 0.98 O ATOM 731 OD2 ASP A 52 47.473 21.244 -15.209 1.00 0.83 O ATOM 0 H ASP A 52 50.821 20.259 -12.002 1.00 0.24 H new ATOM 0 HA ASP A 52 48.795 18.482 -13.047 1.00 0.25 H new ATOM 0 HB2 ASP A 52 48.887 21.057 -13.065 1.00 0.28 H new ATOM 0 HB3 ASP A 52 50.107 20.939 -14.318 1.00 0.28 H new ATOM 736 N PRO A 53 49.947 17.119 -14.865 1.00 0.29 N ATOM 737 CA PRO A 53 50.658 16.314 -15.908 1.00 0.34 C ATOM 738 C PRO A 53 50.693 17.012 -17.272 1.00 0.36 C ATOM 739 O PRO A 53 51.042 16.410 -18.269 1.00 0.41 O ATOM 740 CB PRO A 53 49.851 15.002 -15.984 1.00 0.39 C ATOM 741 CG PRO A 53 48.489 15.354 -15.487 1.00 0.38 C ATOM 742 CD PRO A 53 48.695 16.442 -14.433 1.00 0.31 C ATOM 0 HA PRO A 53 51.705 16.161 -15.648 1.00 0.34 H new ATOM 0 HB2 PRO A 53 49.812 14.622 -17.005 1.00 0.39 H new ATOM 0 HB3 PRO A 53 50.305 14.224 -15.371 1.00 0.39 H new ATOM 0 HG2 PRO A 53 47.857 15.712 -16.300 1.00 0.38 H new ATOM 0 HG3 PRO A 53 47.993 14.483 -15.058 1.00 0.38 H new ATOM 0 HD2 PRO A 53 47.854 17.135 -14.404 1.00 0.31 H new ATOM 0 HD3 PRO A 53 48.793 16.018 -13.434 1.00 0.31 H new ATOM 750 N LYS A 54 50.335 18.273 -17.333 1.00 0.34 N ATOM 751 CA LYS A 54 50.351 18.994 -18.645 1.00 0.38 C ATOM 752 C LYS A 54 51.621 19.840 -18.780 1.00 0.33 C ATOM 753 O LYS A 54 51.861 20.436 -19.812 1.00 0.34 O ATOM 754 CB LYS A 54 49.105 19.883 -18.769 1.00 0.46 C ATOM 755 CG LYS A 54 47.847 18.991 -18.738 1.00 0.54 C ATOM 756 CD LYS A 54 46.623 19.740 -19.314 1.00 1.13 C ATOM 757 CE LYS A 54 45.514 18.744 -19.750 1.00 1.32 C ATOM 758 NZ LYS A 54 44.332 18.907 -18.858 1.00 2.00 N ATOM 0 H LYS A 54 50.034 18.832 -16.534 1.00 0.34 H new ATOM 0 HA LYS A 54 50.343 18.257 -19.448 1.00 0.38 H new ATOM 0 HB2 LYS A 54 49.075 20.605 -17.953 1.00 0.46 H new ATOM 0 HB3 LYS A 54 49.140 20.453 -19.698 1.00 0.46 H new ATOM 0 HG2 LYS A 54 48.026 18.083 -19.314 1.00 0.54 H new ATOM 0 HG3 LYS A 54 47.640 18.683 -17.713 1.00 0.54 H new ATOM 0 HD2 LYS A 54 46.227 20.426 -18.565 1.00 1.13 H new ATOM 0 HD3 LYS A 54 46.931 20.344 -20.168 1.00 1.13 H new ATOM 0 HE2 LYS A 54 45.231 18.927 -20.786 1.00 1.32 H new ATOM 0 HE3 LYS A 54 45.886 17.721 -19.697 1.00 1.32 H new ATOM 0 HZ1 LYS A 54 43.586 18.242 -19.146 1.00 2.00 H new ATOM 0 HZ2 LYS A 54 44.609 18.712 -17.875 1.00 2.00 H new ATOM 0 HZ3 LYS A 54 43.974 19.881 -18.930 1.00 2.00 H new ATOM 772 N LEU A 55 52.454 19.894 -17.772 1.00 0.31 N ATOM 773 CA LEU A 55 53.705 20.701 -17.912 1.00 0.28 C ATOM 774 C LEU A 55 54.670 19.984 -18.873 1.00 0.25 C ATOM 775 O LEU A 55 54.793 18.770 -18.879 1.00 0.23 O ATOM 776 CB LEU A 55 54.372 20.893 -16.550 1.00 0.28 C ATOM 777 CG LEU A 55 53.430 21.638 -15.594 1.00 0.32 C ATOM 778 CD1 LEU A 55 54.112 21.783 -14.227 1.00 0.36 C ATOM 779 CD2 LEU A 55 53.096 23.034 -16.158 1.00 0.40 C ATOM 0 H LEU A 55 52.327 19.425 -16.875 1.00 0.31 H new ATOM 0 HA LEU A 55 53.452 21.682 -18.314 1.00 0.28 H new ATOM 0 HB2 LEU A 55 54.637 19.924 -16.128 1.00 0.28 H new ATOM 0 HB3 LEU A 55 55.299 21.454 -16.668 1.00 0.28 H new ATOM 0 HG LEU A 55 52.504 21.072 -15.487 1.00 0.32 H new ATOM 0 HD11 LEU A 55 53.448 22.312 -13.543 1.00 0.36 H new ATOM 0 HD12 LEU A 55 54.335 20.795 -13.825 1.00 0.36 H new ATOM 0 HD13 LEU A 55 55.038 22.346 -14.340 1.00 0.36 H new ATOM 0 HD21 LEU A 55 52.427 23.553 -15.472 1.00 0.40 H new ATOM 0 HD22 LEU A 55 54.015 23.609 -16.274 1.00 0.40 H new ATOM 0 HD23 LEU A 55 52.610 22.928 -17.128 1.00 0.40 H new ATOM 791 N LYS A 56 55.340 20.731 -19.704 1.00 0.30 N ATOM 792 CA LYS A 56 56.276 20.112 -20.687 1.00 0.32 C ATOM 793 C LYS A 56 57.468 19.432 -20.001 1.00 0.29 C ATOM 794 O LYS A 56 57.882 18.361 -20.400 1.00 0.29 O ATOM 795 CB LYS A 56 56.783 21.188 -21.645 1.00 0.41 C ATOM 796 CG LYS A 56 55.636 21.626 -22.557 1.00 0.47 C ATOM 797 CD LYS A 56 56.153 22.646 -23.583 1.00 1.24 C ATOM 798 CE LYS A 56 55.110 22.882 -24.703 1.00 1.57 C ATOM 799 NZ LYS A 56 54.499 24.229 -24.541 1.00 2.24 N ATOM 0 H LYS A 56 55.280 21.748 -19.746 1.00 0.30 H new ATOM 0 HA LYS A 56 55.728 19.343 -21.232 1.00 0.32 H new ATOM 0 HB2 LYS A 56 57.165 22.041 -21.084 1.00 0.41 H new ATOM 0 HB3 LYS A 56 57.610 20.802 -22.240 1.00 0.41 H new ATOM 0 HG2 LYS A 56 55.215 20.761 -23.070 1.00 0.47 H new ATOM 0 HG3 LYS A 56 54.834 22.066 -21.964 1.00 0.47 H new ATOM 0 HD2 LYS A 56 56.376 23.589 -23.084 1.00 1.24 H new ATOM 0 HD3 LYS A 56 57.086 22.288 -24.019 1.00 1.24 H new ATOM 0 HE2 LYS A 56 55.587 22.803 -25.680 1.00 1.57 H new ATOM 0 HE3 LYS A 56 54.338 22.114 -24.662 1.00 1.57 H new ATOM 0 HZ1 LYS A 56 53.799 24.385 -25.294 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 54.030 24.288 -23.615 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 55.240 24.956 -24.601 1.00 2.24 H new ATOM 813 N TRP A 57 58.046 20.036 -18.999 1.00 0.29 N ATOM 814 CA TRP A 57 59.221 19.390 -18.347 1.00 0.29 C ATOM 815 C TRP A 57 58.803 18.048 -17.751 1.00 0.25 C ATOM 816 O TRP A 57 59.606 17.149 -17.606 1.00 0.26 O ATOM 817 CB TRP A 57 59.798 20.307 -17.266 1.00 0.33 C ATOM 818 CG TRP A 57 58.869 20.409 -16.102 1.00 0.27 C ATOM 819 CD1 TRP A 57 57.858 21.300 -15.989 1.00 0.30 C ATOM 820 CD2 TRP A 57 58.864 19.625 -14.876 1.00 0.33 C ATOM 821 NE1 TRP A 57 57.240 21.119 -14.766 1.00 0.36 N ATOM 822 CE2 TRP A 57 57.823 20.097 -14.045 1.00 0.39 C ATOM 823 CE3 TRP A 57 59.657 18.563 -14.408 1.00 0.44 C ATOM 824 CZ2 TRP A 57 57.577 19.536 -12.794 1.00 0.51 C ATOM 825 CZ3 TRP A 57 59.411 17.995 -13.149 1.00 0.55 C ATOM 826 CH2 TRP A 57 58.375 18.482 -12.343 1.00 0.58 C ATOM 0 H TRP A 57 57.762 20.934 -18.608 1.00 0.29 H new ATOM 0 HA TRP A 57 59.996 19.216 -19.093 1.00 0.29 H new ATOM 0 HB2 TRP A 57 60.762 19.922 -16.934 1.00 0.33 H new ATOM 0 HB3 TRP A 57 59.976 21.299 -17.682 1.00 0.33 H new ATOM 0 HD1 TRP A 57 57.579 22.032 -16.732 1.00 0.30 H new ATOM 0 HE1 TRP A 57 56.450 21.673 -14.437 1.00 0.36 H new ATOM 0 HE3 TRP A 57 60.460 18.182 -15.021 1.00 0.44 H new ATOM 0 HZ2 TRP A 57 56.775 19.913 -12.177 1.00 0.51 H new ATOM 0 HZ3 TRP A 57 60.024 17.178 -12.800 1.00 0.55 H new ATOM 0 HH2 TRP A 57 58.193 18.043 -11.373 1.00 0.58 H new ATOM 837 N ILE A 58 57.547 17.886 -17.451 1.00 0.23 N ATOM 838 CA ILE A 58 57.090 16.572 -16.923 1.00 0.23 C ATOM 839 C ILE A 58 57.189 15.543 -18.038 1.00 0.25 C ATOM 840 O ILE A 58 57.647 14.434 -17.844 1.00 0.29 O ATOM 841 CB ILE A 58 55.636 16.654 -16.466 1.00 0.27 C ATOM 842 CG1 ILE A 58 55.546 17.471 -15.171 1.00 0.33 C ATOM 843 CG2 ILE A 58 55.066 15.239 -16.241 1.00 0.32 C ATOM 844 CD1 ILE A 58 54.071 17.756 -14.843 1.00 0.41 C ATOM 0 H ILE A 58 56.823 18.598 -17.547 1.00 0.23 H new ATOM 0 HA ILE A 58 57.714 16.292 -16.074 1.00 0.23 H new ATOM 0 HB ILE A 58 55.048 17.146 -17.241 1.00 0.27 H new ATOM 0 HG12 ILE A 58 56.012 16.925 -14.351 1.00 0.33 H new ATOM 0 HG13 ILE A 58 56.092 18.408 -15.281 1.00 0.33 H new ATOM 0 HG21 ILE A 58 54.028 15.312 -15.915 1.00 0.32 H new ATOM 0 HG22 ILE A 58 55.115 14.675 -17.172 1.00 0.32 H new ATOM 0 HG23 ILE A 58 55.651 14.728 -15.476 1.00 0.32 H new ATOM 0 HD11 ILE A 58 54.009 18.337 -13.923 1.00 0.41 H new ATOM 0 HD12 ILE A 58 53.619 18.320 -15.659 1.00 0.41 H new ATOM 0 HD13 ILE A 58 53.538 16.814 -14.714 1.00 0.41 H new ATOM 856 N GLN A 59 56.738 15.902 -19.206 1.00 0.28 N ATOM 857 CA GLN A 59 56.785 14.938 -20.334 1.00 0.36 C ATOM 858 C GLN A 59 58.242 14.595 -20.633 1.00 0.36 C ATOM 859 O GLN A 59 58.579 13.459 -20.900 1.00 0.42 O ATOM 860 CB GLN A 59 56.122 15.559 -21.573 1.00 0.43 C ATOM 861 CG GLN A 59 55.954 14.492 -22.697 1.00 0.97 C ATOM 862 CD GLN A 59 54.490 14.423 -23.159 1.00 1.56 C ATOM 863 OE1 GLN A 59 53.844 15.438 -23.326 1.00 2.18 O ATOM 864 NE2 GLN A 59 53.941 13.258 -23.377 1.00 2.32 N ATOM 0 H GLN A 59 56.342 16.816 -19.426 1.00 0.28 H new ATOM 0 HA GLN A 59 56.246 14.029 -20.068 1.00 0.36 H new ATOM 0 HB2 GLN A 59 55.148 15.969 -21.304 1.00 0.43 H new ATOM 0 HB3 GLN A 59 56.727 16.389 -21.939 1.00 0.43 H new ATOM 0 HG2 GLN A 59 56.597 14.741 -23.542 1.00 0.97 H new ATOM 0 HG3 GLN A 59 56.272 13.516 -22.331 1.00 0.97 H new ATOM 0 HE21 GLN A 59 54.482 12.405 -23.237 1.00 2.32 H new ATOM 0 HE22 GLN A 59 52.971 13.201 -23.687 1.00 2.32 H new ATOM 873 N GLU A 60 59.114 15.563 -20.580 1.00 0.35 N ATOM 874 CA GLU A 60 60.548 15.274 -20.856 1.00 0.42 C ATOM 875 C GLU A 60 61.074 14.300 -19.799 1.00 0.44 C ATOM 876 O GLU A 60 61.829 13.397 -20.093 1.00 0.50 O ATOM 877 CB GLU A 60 61.360 16.571 -20.802 1.00 0.48 C ATOM 878 CG GLU A 60 60.908 17.503 -21.928 1.00 0.77 C ATOM 879 CD GLU A 60 61.739 18.788 -21.897 1.00 1.47 C ATOM 880 OE1 GLU A 60 62.676 18.846 -21.118 1.00 2.13 O ATOM 881 OE2 GLU A 60 61.423 19.692 -22.652 1.00 2.23 O ATOM 0 H GLU A 60 58.898 16.535 -20.359 1.00 0.35 H new ATOM 0 HA GLU A 60 60.645 14.833 -21.848 1.00 0.42 H new ATOM 0 HB2 GLU A 60 61.224 17.058 -19.836 1.00 0.48 H new ATOM 0 HB3 GLU A 60 62.423 16.352 -20.902 1.00 0.48 H new ATOM 0 HG2 GLU A 60 61.023 17.007 -22.892 1.00 0.77 H new ATOM 0 HG3 GLU A 60 59.850 17.740 -21.815 1.00 0.77 H new ATOM 888 N TYR A 61 60.676 14.477 -18.568 1.00 0.41 N ATOM 889 CA TYR A 61 61.148 13.566 -17.485 1.00 0.47 C ATOM 890 C TYR A 61 60.695 12.134 -17.786 1.00 0.49 C ATOM 891 O TYR A 61 61.436 11.183 -17.627 1.00 0.56 O ATOM 892 CB TYR A 61 60.548 14.011 -16.147 1.00 0.48 C ATOM 893 CG TYR A 61 61.069 13.107 -15.054 1.00 0.51 C ATOM 894 CD1 TYR A 61 62.408 13.201 -14.653 1.00 0.58 C ATOM 895 CD2 TYR A 61 60.225 12.161 -14.458 1.00 0.54 C ATOM 896 CE1 TYR A 61 62.902 12.350 -13.658 1.00 0.64 C ATOM 897 CE2 TYR A 61 60.719 11.314 -13.458 1.00 0.60 C ATOM 898 CZ TYR A 61 62.059 11.407 -13.062 1.00 0.63 C ATOM 899 OH TYR A 61 62.554 10.565 -12.089 1.00 0.72 O ATOM 0 H TYR A 61 60.042 15.216 -18.265 1.00 0.41 H new ATOM 0 HA TYR A 61 62.236 13.603 -17.432 1.00 0.47 H new ATOM 0 HB2 TYR A 61 60.816 15.047 -15.939 1.00 0.48 H new ATOM 0 HB3 TYR A 61 59.460 13.965 -16.188 1.00 0.48 H new ATOM 0 HD1 TYR A 61 63.059 13.930 -15.112 1.00 0.58 H new ATOM 0 HD2 TYR A 61 59.194 12.085 -14.770 1.00 0.54 H new ATOM 0 HE1 TYR A 61 63.935 12.422 -13.350 1.00 0.64 H new ATOM 0 HE2 TYR A 61 60.067 10.590 -12.993 1.00 0.60 H new ATOM 0 HH TYR A 61 61.840 9.971 -11.776 1.00 0.72 H new ATOM 909 N LEU A 62 59.484 11.982 -18.240 1.00 0.46 N ATOM 910 CA LEU A 62 58.960 10.627 -18.580 1.00 0.53 C ATOM 911 C LEU A 62 59.654 10.104 -19.834 1.00 0.53 C ATOM 912 O LEU A 62 59.835 8.918 -20.009 1.00 0.61 O ATOM 913 CB LEU A 62 57.461 10.724 -18.854 1.00 0.56 C ATOM 914 CG LEU A 62 56.704 11.005 -17.547 1.00 0.65 C ATOM 915 CD1 LEU A 62 55.228 11.372 -17.859 1.00 0.74 C ATOM 916 CD2 LEU A 62 56.784 9.767 -16.611 1.00 0.77 C ATOM 0 H LEU A 62 58.826 12.746 -18.392 1.00 0.46 H new ATOM 0 HA LEU A 62 59.149 9.950 -17.747 1.00 0.53 H new ATOM 0 HB2 LEU A 62 57.266 11.518 -19.575 1.00 0.56 H new ATOM 0 HB3 LEU A 62 57.103 9.795 -19.298 1.00 0.56 H new ATOM 0 HG LEU A 62 57.166 11.850 -17.036 1.00 0.65 H new ATOM 0 HD11 LEU A 62 54.698 11.570 -16.928 1.00 0.74 H new ATOM 0 HD12 LEU A 62 55.199 12.261 -18.489 1.00 0.74 H new ATOM 0 HD13 LEU A 62 54.749 10.543 -18.380 1.00 0.74 H new ATOM 0 HD21 LEU A 62 56.245 9.974 -15.687 1.00 0.77 H new ATOM 0 HD22 LEU A 62 56.336 8.906 -17.107 1.00 0.77 H new ATOM 0 HD23 LEU A 62 57.828 9.551 -16.382 1.00 0.77 H new ATOM 928 N GLU A 63 60.027 10.986 -20.710 1.00 0.50 N ATOM 929 CA GLU A 63 60.699 10.551 -21.961 1.00 0.58 C ATOM 930 C GLU A 63 62.118 10.086 -21.625 1.00 0.66 C ATOM 931 O GLU A 63 62.626 9.138 -22.198 1.00 0.75 O ATOM 932 CB GLU A 63 60.734 11.723 -22.947 1.00 0.62 C ATOM 933 CG GLU A 63 61.042 11.215 -24.357 1.00 1.18 C ATOM 934 CD GLU A 63 60.844 12.358 -25.354 1.00 1.77 C ATOM 935 OE1 GLU A 63 59.794 12.980 -25.308 1.00 2.46 O ATOM 936 OE2 GLU A 63 61.742 12.593 -26.144 1.00 2.34 O ATOM 0 H GLU A 63 59.896 11.993 -20.615 1.00 0.50 H new ATOM 0 HA GLU A 63 60.154 9.725 -22.419 1.00 0.58 H new ATOM 0 HB2 GLU A 63 59.776 12.243 -22.940 1.00 0.62 H new ATOM 0 HB3 GLU A 63 61.490 12.445 -22.639 1.00 0.62 H new ATOM 0 HG2 GLU A 63 62.066 10.844 -24.408 1.00 1.18 H new ATOM 0 HG3 GLU A 63 60.388 10.380 -24.607 1.00 1.18 H new ATOM 943 N LYS A 64 62.762 10.749 -20.697 1.00 0.68 N ATOM 944 CA LYS A 64 64.150 10.354 -20.326 1.00 0.82 C ATOM 945 C LYS A 64 64.116 9.124 -19.419 1.00 0.91 C ATOM 946 O LYS A 64 65.096 8.421 -19.282 1.00 1.10 O ATOM 947 CB LYS A 64 64.836 11.505 -19.582 1.00 0.91 C ATOM 948 CG LYS A 64 64.994 12.703 -20.518 1.00 0.96 C ATOM 949 CD LYS A 64 65.715 13.836 -19.783 1.00 1.46 C ATOM 950 CE LYS A 64 65.818 15.057 -20.702 1.00 1.90 C ATOM 951 NZ LYS A 64 66.860 15.986 -20.182 1.00 2.46 N ATOM 0 H LYS A 64 62.385 11.545 -20.183 1.00 0.68 H new ATOM 0 HA LYS A 64 64.705 10.122 -21.235 1.00 0.82 H new ATOM 0 HB2 LYS A 64 64.248 11.788 -18.709 1.00 0.91 H new ATOM 0 HB3 LYS A 64 65.812 11.185 -19.218 1.00 0.91 H new ATOM 0 HG2 LYS A 64 65.559 12.413 -21.404 1.00 0.96 H new ATOM 0 HG3 LYS A 64 64.016 13.042 -20.860 1.00 0.96 H new ATOM 0 HD2 LYS A 64 65.173 14.097 -18.874 1.00 1.46 H new ATOM 0 HD3 LYS A 64 66.710 13.511 -19.479 1.00 1.46 H new ATOM 0 HE2 LYS A 64 66.069 14.742 -21.715 1.00 1.90 H new ATOM 0 HE3 LYS A 64 64.856 15.567 -20.756 1.00 1.90 H new ATOM 0 HZ1 LYS A 64 66.929 16.815 -20.807 1.00 2.46 H new ATOM 0 HZ2 LYS A 64 66.602 16.296 -19.223 1.00 2.46 H new ATOM 0 HZ3 LYS A 64 67.777 15.497 -20.153 1.00 2.46 H new ATOM 965 N ALA A 65 63.001 8.857 -18.790 1.00 0.87 N ATOM 966 CA ALA A 65 62.917 7.668 -17.888 1.00 1.04 C ATOM 967 C ALA A 65 62.408 6.453 -18.672 1.00 1.10 C ATOM 968 O ALA A 65 62.603 5.323 -18.270 1.00 1.29 O ATOM 969 CB ALA A 65 61.945 7.968 -16.743 1.00 1.09 C ATOM 0 H ALA A 65 62.146 9.409 -18.861 1.00 0.87 H new ATOM 0 HA ALA A 65 63.908 7.452 -17.488 1.00 1.04 H new ATOM 0 HB1 ALA A 65 61.882 7.103 -16.083 1.00 1.09 H new ATOM 0 HB2 ALA A 65 62.303 8.829 -16.178 1.00 1.09 H new ATOM 0 HB3 ALA A 65 60.958 8.186 -17.151 1.00 1.09 H new ATOM 975 N LEU A 66 61.747 6.672 -19.781 1.00 1.10 N ATOM 976 CA LEU A 66 61.217 5.522 -20.578 1.00 1.25 C ATOM 977 C LEU A 66 62.284 4.988 -21.540 1.00 1.42 C ATOM 978 O LEU A 66 62.492 3.794 -21.638 1.00 1.83 O ATOM 979 CB LEU A 66 59.996 5.980 -21.387 1.00 1.34 C ATOM 980 CG LEU A 66 58.770 6.121 -20.468 1.00 1.40 C ATOM 981 CD1 LEU A 66 57.628 6.791 -21.247 1.00 1.67 C ATOM 982 CD2 LEU A 66 58.314 4.734 -19.954 1.00 1.56 C ATOM 0 H LEU A 66 61.551 7.595 -20.169 1.00 1.10 H new ATOM 0 HA LEU A 66 60.935 4.726 -19.889 1.00 1.25 H new ATOM 0 HB2 LEU A 66 60.208 6.934 -21.871 1.00 1.34 H new ATOM 0 HB3 LEU A 66 59.785 5.261 -22.179 1.00 1.34 H new ATOM 0 HG LEU A 66 59.038 6.735 -19.608 1.00 1.40 H new ATOM 0 HD11 LEU A 66 56.757 6.893 -20.600 1.00 1.67 H new ATOM 0 HD12 LEU A 66 57.947 7.777 -21.584 1.00 1.67 H new ATOM 0 HD13 LEU A 66 57.369 6.179 -22.111 1.00 1.67 H new ATOM 0 HD21 LEU A 66 57.446 4.854 -19.306 1.00 1.56 H new ATOM 0 HD22 LEU A 66 58.050 4.101 -20.801 1.00 1.56 H new ATOM 0 HD23 LEU A 66 59.125 4.269 -19.393 1.00 1.56 H new ATOM 994 N ASN A 67 62.961 5.846 -22.256 1.00 1.51 N ATOM 995 CA ASN A 67 64.003 5.344 -23.200 1.00 1.79 C ATOM 996 C ASN A 67 65.200 4.794 -22.415 1.00 1.92 C ATOM 997 O ASN A 67 65.812 3.821 -22.810 1.00 2.62 O ATOM 998 CB ASN A 67 64.432 6.458 -24.167 1.00 2.34 C ATOM 999 CG ASN A 67 63.413 6.557 -25.315 1.00 2.78 C ATOM 1000 OD1 ASN A 67 63.208 5.601 -26.038 1.00 3.07 O ATOM 1001 ND2 ASN A 67 62.764 7.670 -25.514 1.00 3.37 N ATOM 0 H ASN A 67 62.841 6.859 -22.230 1.00 1.51 H new ATOM 0 HA ASN A 67 63.585 4.532 -23.795 1.00 1.79 H new ATOM 0 HB2 ASN A 67 64.495 7.409 -23.639 1.00 2.34 H new ATOM 0 HB3 ASN A 67 65.425 6.248 -24.564 1.00 2.34 H new ATOM 0 HD21 ASN A 67 62.087 7.737 -26.274 1.00 3.37 H new ATOM 0 HD22 ASN A 67 62.933 8.474 -24.910 1.00 3.37 H new ATOM 1008 N LYS A 68 65.537 5.394 -21.304 1.00 1.98 N ATOM 1009 CA LYS A 68 66.687 4.874 -20.506 1.00 2.48 C ATOM 1010 C LYS A 68 66.240 3.633 -19.727 1.00 3.32 C ATOM 1011 O LYS A 68 66.486 3.580 -18.533 1.00 3.88 O ATOM 1012 CB LYS A 68 67.183 5.951 -19.529 1.00 2.61 C ATOM 1013 CG LYS A 68 68.016 6.999 -20.284 1.00 2.71 C ATOM 1014 CD LYS A 68 68.655 8.009 -19.286 1.00 3.06 C ATOM 1015 CE LYS A 68 70.153 8.181 -19.585 1.00 3.83 C ATOM 1016 NZ LYS A 68 70.760 9.096 -18.577 1.00 4.33 N ATOM 1017 OXT LYS A 68 65.658 2.753 -20.341 1.00 3.86 O ATOM 0 H LYS A 68 65.071 6.214 -20.917 1.00 1.98 H new ATOM 0 HA LYS A 68 67.503 4.610 -21.179 1.00 2.48 H new ATOM 0 HB2 LYS A 68 66.334 6.431 -19.042 1.00 2.61 H new ATOM 0 HB3 LYS A 68 67.784 5.493 -18.744 1.00 2.61 H new ATOM 0 HG2 LYS A 68 68.798 6.504 -20.861 1.00 2.71 H new ATOM 0 HG3 LYS A 68 67.384 7.531 -20.995 1.00 2.71 H new ATOM 0 HD2 LYS A 68 68.150 8.972 -19.360 1.00 3.06 H new ATOM 0 HD3 LYS A 68 68.520 7.655 -18.264 1.00 3.06 H new ATOM 0 HE2 LYS A 68 70.653 7.213 -19.560 1.00 3.83 H new ATOM 0 HE3 LYS A 68 70.290 8.585 -20.588 1.00 3.83 H new ATOM 0 HZ1 LYS A 68 71.773 9.212 -18.779 1.00 4.33 H new ATOM 0 HZ2 LYS A 68 70.290 10.022 -18.621 1.00 4.33 H new ATOM 0 HZ3 LYS A 68 70.641 8.693 -17.626 1.00 4.33 H new TER 1031 LYS A 68 CONECT 30 435 CONECT 54 700 CONECT 435 30 CONECT 700 54 END