USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 24-AUG-95 1NEQ TITLE SOLUTION STRUCTURE OF THE MU NER PROTEIN BY TITLE 2 MULTIDIMENSIONAL NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA-BINDING PROTEIN NER; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE MU; SOURCE 3 ORGANISM_TAXID: 10677 KEYWDS DNA-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,T.E.STRZELECKA,A.M.GRONENBORN REVDAT 2 24-FEB-09 1NEQ 1 VERSN REVDAT 1 07-DEC-95 1NEQ 0 JRNL AUTH T.E.STRZELECKA,G.M.CLORE,A.M.GRONENBORN JRNL TITL THE SOLUTION STRUCTURE OF THE MU NER PROTEIN JRNL TITL 2 REVEALS A HELIX-TURN-HELIX DNA RECOGNITION MOTIF. JRNL REF STRUCTURE V. 3 1087 1995 JRNL REFN ISSN 0969-2126 JRNL PMID 8590003 JRNL DOI 10.1016/S0969-2126(01)00244-1 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.M.GRONENBORN,P.T.WINGFIELD,G.M.CLORE REMARK 1 TITL DETERMINATION OF THE SECONDARY STRUCTURE OF THE REMARK 1 TITL 2 DNA BINDING PROTEIN NER FROM PHAGE MU USING 1H REMARK 1 TITL 3 HOMONUCLEAR AND 15N-1H HETERONUCLEAR NMR REMARK 1 TITL 4 SPECTROSCOPY REMARK 1 REF BIOCHEMISTRY V. 28 5081 1989 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE 3D STRUCTURE OF THE MU NER PROTEIN BY MULTI-DIMENSIONAL REMARK 3 HETERONUCLEAR NMR IS BASED ON 1546 EXPERIMENTAL RESTRAINTS REMARK 3 COMPRISING THE FOLLOWING: 944 INTERPROTON DISTANCE REMARK 3 RESTRAINTS [251 SEQUENTIAL; 202 SHORT RANGE (1<|I-J|<=5; REMARK 3 157 LONG RANGE (|I-J|>5); AND 334 INTRARESIDUE]; 40 REMARK 3 DISTANCE RESTRAINTS FOR 20 BACKBONE HYDROGEN BONDS; 89 REMARK 3 TORSION ANGLE RESTRAINTS 56 PHI, 27 CH1 AND 6 CHI2); 46 3 REMARK 3 BOND HN-HA COUPLING CONSTANTS; 140 SECONDARY 13C SHIFTS (72 REMARK 3 CA AND 68 CB); 287 1H CHEMICAL SHIFTS (74 HA, 39 METHYL AND REMARK 3 174 OTHER, WITH NO EXCHANGEABLE PROTON SHIFTS). REMARK 3 REMARK 3 THE STRUCTURE WAS DETERMINED BY SIMULATED ANNEALING REMARK 3 [NILGES, CLORE AND GRONENBORN (1988) FEBS LETT. 229, 317 - REMARK 3 324] USING THE PROGRAM X-PLOR (BRUNGER) MODIFIED TO REMARK 3 INCORPORATE COUPLING CONSTANT [GARRETT ET AL. AND CLORE REMARK 3 (1994) J. MAGN. RESON. B104, 99 - 103], CARBON CHEMICAL REMARK 3 SHIFT [KUSZEWSKI, QIN, GRONENBORN AND CLORE (1995) J. MAGN. REMARK 3 RESON. B106, 92 - 96] AND PROTON CHEMICAL SHIFT REMARK 3 [KUSZEWSKI, GRONENBORN AND CLORE (1995) J. MAGN. RESON. REMARK 3 B107, 293 - 297] RESTRAINTS. REMARK 3 REMARK 3 THIS ENTRY CONTAINS THE RESTRAINED REGULARIZED MEAN REMARK 3 STRUCTURE OBTAINED BY AVERAGING THE COORDINATES OF THE 30 REMARK 3 SIMULATED ANNEALING STRUCTURES BEST FITTED TO EACH OTHER REMARK 3 (RESIDUES 8 - 66). THE N- AND C-TERMINI ARE DISORDERED, REMARK 3 AND THE NUMBER IN THE LAST COLUMN (THE B- FACTOR COLUMN) REMARK 3 GIVES THE AVERAGE RMS TO THE MEAN COORDINATE POSITIONS. REMARK 4 REMARK 4 1NEQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 4 -82.78 28.32 REMARK 500 LYS A 5 53.21 -95.98 REMARK 500 ALA A 6 -85.26 -35.18 REMARK 500 HIS A 10 155.70 -44.82 REMARK 500 ARG A 21 -84.37 -103.10 REMARK 500 LYS A 22 63.18 -161.23 REMARK 500 ALA A 35 158.17 -46.13 REMARK 500 TRP A 47 73.02 -166.85 REMARK 500 THR A 60 -169.79 -110.81 REMARK 500 GLN A 71 2.41 -151.52 REMARK 500 ALA A 72 14.44 -66.76 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NER RELATED DB: PDB DBREF 1NEQ A 1 74 UNP P06020 NER_BPMU 1 74 SEQRES 1 A 74 CYS SER ASN GLU LYS ALA ARG ASP TRP HIS ARG ALA ASP SEQRES 2 A 74 VAL ILE ALA GLY LEU LYS LYS ARG LYS LEU SER LEU SER SEQRES 3 A 74 ALA LEU SER ARG GLN PHE GLY TYR ALA PRO THR THR LEU SEQRES 4 A 74 ALA ASN ALA LEU GLU ARG HIS TRP PRO LYS GLY GLU GLN SEQRES 5 A 74 ILE ILE ALA ASN ALA LEU GLU THR LYS PRO GLU VAL ILE SEQRES 6 A 74 TRP PRO SER ARG TYR GLN ALA GLY GLU HELIX 1 1 ARG A 11 LYS A 19 1 9 HELIX 2 2 LEU A 25 PHE A 32 1 8 HELIX 3 3 PRO A 36 LEU A 43 1 8 HELIX 4 4 PRO A 48 LEU A 58 1 11 HELIX 5 5 PRO A 62 ILE A 65 1 4 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 1 CYS SG : rot -68:sc= 0.186! USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ -170:sc= 0.343 (180deg=0.299) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0192 F(o=-0.75,f=-0.019) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -0.223 (180deg=-1.09) USER MOD Single : A 10 HIS : no HD1:sc= -6.35! C(o=-6.3!,f=-9.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00401) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -89:sc= 0.495! USER MOD Single : A 31 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.29) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= -0.194 (180deg=-1.01) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 ASN : amide:sc= -0.0834 K(o=-0.083,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 170:sc= -0.0684 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 3:sc= 0.69! USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 16.322 15.366 5.332 1.00 7.87 N ATOM 2 CA CYS A 1 15.779 15.353 6.720 1.00 7.60 C ATOM 3 C CYS A 1 14.635 14.345 6.808 1.00 6.79 C ATOM 4 O CYS A 1 14.670 13.413 7.587 1.00 6.76 O ATOM 5 CB CYS A 1 15.249 16.744 7.075 1.00 8.19 C ATOM 6 SG CYS A 1 14.158 17.331 5.753 1.00 8.84 S ATOM 0 H1 CYS A 1 17.202 15.919 5.309 1.00 7.87 H new ATOM 0 H2 CYS A 1 16.518 14.391 5.027 1.00 7.87 H new ATOM 0 H3 CYS A 1 15.625 15.796 4.691 1.00 7.87 H new ATOM 0 HA CYS A 1 16.571 15.074 7.415 1.00 7.60 H new ATOM 0 HB2 CYS A 1 14.706 16.708 8.020 1.00 8.19 H new ATOM 0 HB3 CYS A 1 16.079 17.437 7.211 1.00 8.19 H new ATOM 0 HG CYS A 1 14.858 17.557 4.681 1.00 8.84 H new ATOM 14 N SER A 2 13.616 14.530 6.016 1.00 6.45 N ATOM 15 CA SER A 2 12.455 13.597 6.046 1.00 5.96 C ATOM 16 C SER A 2 12.604 12.569 4.927 1.00 5.31 C ATOM 17 O SER A 2 12.674 12.912 3.763 1.00 5.36 O ATOM 18 CB SER A 2 11.172 14.396 5.837 1.00 6.16 C ATOM 19 OG SER A 2 11.176 15.522 6.702 1.00 6.63 O ATOM 0 H SER A 2 13.537 15.293 5.344 1.00 6.45 H new ATOM 0 HA SER A 2 12.416 13.083 7.006 1.00 5.96 H new ATOM 0 HB2 SER A 2 11.097 14.720 4.799 1.00 6.16 H new ATOM 0 HB3 SER A 2 10.303 13.770 6.039 1.00 6.16 H new ATOM 0 HG SER A 2 10.354 16.039 6.570 1.00 6.63 H new ATOM 25 N ASN A 3 12.644 11.309 5.262 1.00 5.02 N ATOM 26 CA ASN A 3 12.776 10.280 4.202 1.00 4.61 C ATOM 27 C ASN A 3 11.418 10.096 3.536 1.00 4.00 C ATOM 28 O ASN A 3 11.344 9.577 2.446 1.00 4.08 O ATOM 29 CB ASN A 3 13.234 8.950 4.808 1.00 4.87 C ATOM 30 CG ASN A 3 14.671 9.092 5.315 1.00 5.38 C ATOM 31 OD1 ASN A 3 15.548 9.723 4.583 1.00 5.75 O flip ATOM 32 ND2 ASN A 3 14.999 8.620 6.386 1.00 5.82 N flip ATOM 0 H ASN A 3 12.591 10.953 6.216 1.00 5.02 H new ATOM 0 HA ASN A 3 13.517 10.601 3.470 1.00 4.61 H new ATOM 0 HB2 ASN A 3 12.574 8.664 5.627 1.00 4.87 H new ATOM 0 HB3 ASN A 3 13.176 8.158 4.061 1.00 4.87 H new ATOM 0 HD21 ASN A 3 14.313 8.127 6.958 1.00 5.82 H new ATOM 0 HD22 ASN A 3 15.960 8.717 6.713 1.00 5.82 H new ATOM 39 N GLU A 4 10.357 10.534 4.198 1.00 3.84 N ATOM 40 CA GLU A 4 8.959 10.421 3.641 1.00 3.60 C ATOM 41 C GLU A 4 8.848 9.222 2.700 1.00 2.77 C ATOM 42 O GLU A 4 8.415 8.143 3.053 1.00 2.98 O ATOM 43 CB GLU A 4 8.624 11.688 2.824 1.00 4.18 C ATOM 44 CG GLU A 4 8.678 12.952 3.680 1.00 4.56 C ATOM 45 CD GLU A 4 7.850 12.784 4.954 1.00 5.36 C ATOM 46 OE1 GLU A 4 8.354 12.180 5.885 1.00 5.94 O ATOM 47 OE2 GLU A 4 6.729 13.266 4.978 1.00 5.67 O ATOM 0 H GLU A 4 10.406 10.973 5.118 1.00 3.84 H new ATOM 0 HA GLU A 4 8.272 10.301 4.478 1.00 3.60 H new ATOM 0 HB2 GLU A 4 9.326 11.781 1.995 1.00 4.18 H new ATOM 0 HB3 GLU A 4 7.630 11.587 2.389 1.00 4.18 H new ATOM 0 HG2 GLU A 4 9.712 13.176 3.941 1.00 4.56 H new ATOM 0 HG3 GLU A 4 8.303 13.800 3.107 1.00 4.56 H new ATOM 54 N LYS A 5 9.256 9.455 1.499 1.00 2.41 N ATOM 55 CA LYS A 5 9.244 8.449 0.422 1.00 1.98 C ATOM 56 C LYS A 5 10.647 7.837 0.385 1.00 1.86 C ATOM 57 O LYS A 5 11.314 7.831 -0.631 1.00 2.40 O ATOM 58 CB LYS A 5 8.910 9.199 -0.900 1.00 2.50 C ATOM 59 CG LYS A 5 9.030 10.722 -0.668 1.00 3.20 C ATOM 60 CD LYS A 5 8.687 11.510 -1.937 1.00 4.10 C ATOM 61 CE LYS A 5 7.172 11.751 -2.009 1.00 4.85 C ATOM 62 NZ LYS A 5 6.736 12.599 -0.857 1.00 5.55 N ATOM 0 H LYS A 5 9.620 10.361 1.204 1.00 2.41 H new ATOM 0 HA LYS A 5 8.509 7.657 0.570 1.00 1.98 H new ATOM 0 HB2 LYS A 5 9.591 8.885 -1.691 1.00 2.50 H new ATOM 0 HB3 LYS A 5 7.902 8.948 -1.229 1.00 2.50 H new ATOM 0 HG2 LYS A 5 8.363 11.022 0.140 1.00 3.20 H new ATOM 0 HG3 LYS A 5 10.044 10.964 -0.350 1.00 3.20 H new ATOM 0 HD2 LYS A 5 9.216 12.463 -1.938 1.00 4.10 H new ATOM 0 HD3 LYS A 5 9.019 10.960 -2.818 1.00 4.10 H new ATOM 0 HE2 LYS A 5 6.917 12.240 -2.949 1.00 4.85 H new ATOM 0 HE3 LYS A 5 6.642 10.799 -1.992 1.00 4.85 H new ATOM 0 HZ1 LYS A 5 5.932 13.191 -1.147 1.00 5.55 H new ATOM 0 HZ2 LYS A 5 6.449 11.988 -0.066 1.00 5.55 H new ATOM 0 HZ3 LYS A 5 7.524 13.208 -0.556 1.00 5.55 H new ATOM 76 N ALA A 6 11.106 7.365 1.519 1.00 1.88 N ATOM 77 CA ALA A 6 12.479 6.785 1.619 1.00 2.06 C ATOM 78 C ALA A 6 12.860 6.043 0.332 1.00 1.60 C ATOM 79 O ALA A 6 13.487 6.608 -0.542 1.00 1.81 O ATOM 80 CB ALA A 6 12.548 5.843 2.832 1.00 2.73 C ATOM 0 H ALA A 6 10.578 7.358 2.392 1.00 1.88 H new ATOM 0 HA ALA A 6 13.195 7.596 1.753 1.00 2.06 H new ATOM 0 HB1 ALA A 6 13.549 5.419 2.907 1.00 2.73 H new ATOM 0 HB2 ALA A 6 12.322 6.402 3.740 1.00 2.73 H new ATOM 0 HB3 ALA A 6 11.822 5.039 2.710 1.00 2.73 H new ATOM 86 N ARG A 7 12.490 4.797 0.201 1.00 1.43 N ATOM 87 CA ARG A 7 12.834 4.022 -1.031 1.00 1.36 C ATOM 88 C ARG A 7 11.534 3.449 -1.599 1.00 0.97 C ATOM 89 O ARG A 7 11.424 3.143 -2.770 1.00 1.35 O ATOM 90 CB ARG A 7 13.775 2.845 -0.672 1.00 1.93 C ATOM 91 CG ARG A 7 14.637 3.157 0.573 1.00 2.24 C ATOM 92 CD ARG A 7 15.696 4.229 0.244 1.00 2.94 C ATOM 93 NE ARG A 7 16.919 4.021 1.085 1.00 3.62 N ATOM 94 CZ ARG A 7 16.847 3.911 2.386 1.00 4.14 C ATOM 95 NH1 ARG A 7 15.720 4.112 3.014 1.00 4.23 N ATOM 96 NH2 ARG A 7 17.929 3.650 3.067 1.00 4.97 N ATOM 0 H ARG A 7 11.959 4.277 0.900 1.00 1.43 H new ATOM 0 HA ARG A 7 13.331 4.671 -1.752 1.00 1.36 H new ATOM 0 HB2 ARG A 7 13.182 1.949 -0.488 1.00 1.93 H new ATOM 0 HB3 ARG A 7 14.426 2.628 -1.519 1.00 1.93 H new ATOM 0 HG2 ARG A 7 13.999 3.505 1.386 1.00 2.24 H new ATOM 0 HG3 ARG A 7 15.128 2.248 0.920 1.00 2.24 H new ATOM 0 HD2 ARG A 7 15.959 4.179 -0.813 1.00 2.94 H new ATOM 0 HD3 ARG A 7 15.286 5.223 0.424 1.00 2.94 H new ATOM 0 HE ARG A 7 17.831 3.964 0.631 1.00 3.62 H new ATOM 0 HH11 ARG A 7 14.881 4.358 2.489 1.00 4.23 H new ATOM 0 HH12 ARG A 7 15.679 4.023 4.029 1.00 4.23 H new ATOM 0 HH21 ARG A 7 18.820 3.534 2.584 1.00 4.97 H new ATOM 0 HH22 ARG A 7 17.884 3.562 4.082 1.00 4.97 H new ATOM 110 N ASP A 8 10.566 3.271 -0.748 1.00 0.61 N ATOM 111 CA ASP A 8 9.276 2.682 -1.182 1.00 0.77 C ATOM 112 C ASP A 8 8.507 3.641 -2.086 1.00 0.58 C ATOM 113 O ASP A 8 8.944 4.733 -2.390 1.00 0.58 O ATOM 114 CB ASP A 8 8.441 2.356 0.052 1.00 1.24 C ATOM 115 CG ASP A 8 9.340 1.692 1.099 1.00 1.48 C ATOM 116 OD1 ASP A 8 10.294 1.042 0.704 1.00 1.75 O ATOM 117 OD2 ASP A 8 9.059 1.844 2.276 1.00 2.01 O ATOM 0 H ASP A 8 10.616 3.512 0.242 1.00 0.61 H new ATOM 0 HA ASP A 8 9.479 1.775 -1.751 1.00 0.77 H new ATOM 0 HB2 ASP A 8 7.998 3.265 0.458 1.00 1.24 H new ATOM 0 HB3 ASP A 8 7.619 1.692 -0.214 1.00 1.24 H new ATOM 122 N TRP A 9 7.359 3.210 -2.519 1.00 0.47 N ATOM 123 CA TRP A 9 6.515 4.022 -3.434 1.00 0.35 C ATOM 124 C TRP A 9 5.919 5.227 -2.694 1.00 0.39 C ATOM 125 O TRP A 9 5.268 5.083 -1.679 1.00 0.67 O ATOM 126 CB TRP A 9 5.366 3.142 -3.936 1.00 0.30 C ATOM 127 CG TRP A 9 5.869 2.093 -4.892 1.00 0.28 C ATOM 128 CD1 TRP A 9 7.043 1.408 -4.790 1.00 0.31 C ATOM 129 CD2 TRP A 9 5.217 1.592 -6.096 1.00 0.26 C ATOM 130 NE1 TRP A 9 7.149 0.535 -5.858 1.00 0.31 N ATOM 131 CE2 TRP A 9 6.053 0.607 -6.690 1.00 0.27 C ATOM 132 CE3 TRP A 9 3.991 1.897 -6.730 1.00 0.29 C ATOM 133 CZ2 TRP A 9 5.685 -0.053 -7.870 1.00 0.30 C ATOM 134 CZ3 TRP A 9 3.616 1.234 -7.919 1.00 0.33 C ATOM 135 CH2 TRP A 9 4.463 0.261 -8.486 1.00 0.32 C ATOM 0 H TRP A 9 6.960 2.305 -2.270 1.00 0.47 H new ATOM 0 HA TRP A 9 7.127 4.382 -4.261 1.00 0.35 H new ATOM 0 HB2 TRP A 9 4.874 2.662 -3.090 1.00 0.30 H new ATOM 0 HB3 TRP A 9 4.618 3.761 -4.431 1.00 0.30 H new ATOM 0 HD1 TRP A 9 7.773 1.527 -4.003 1.00 0.31 H new ATOM 0 HE1 TRP A 9 7.943 -0.087 -6.011 1.00 0.31 H new ATOM 0 HE3 TRP A 9 3.337 2.642 -6.302 1.00 0.29 H new ATOM 0 HZ2 TRP A 9 6.337 -0.798 -8.303 1.00 0.30 H new ATOM 0 HZ3 TRP A 9 2.677 1.473 -8.395 1.00 0.33 H new ATOM 0 HH2 TRP A 9 4.172 -0.244 -9.395 1.00 0.32 H new ATOM 146 N HIS A 10 6.109 6.410 -3.218 1.00 0.39 N ATOM 147 CA HIS A 10 5.530 7.627 -2.575 1.00 0.44 C ATOM 148 C HIS A 10 4.082 7.361 -2.170 1.00 0.41 C ATOM 149 O HIS A 10 3.409 6.539 -2.758 1.00 0.40 O ATOM 150 CB HIS A 10 5.511 8.789 -3.584 1.00 0.49 C ATOM 151 CG HIS A 10 6.891 9.150 -4.053 1.00 1.23 C ATOM 152 ND1 HIS A 10 7.978 8.303 -3.922 1.00 2.07 N ATOM 153 CD2 HIS A 10 7.358 10.261 -4.710 1.00 2.12 C ATOM 154 CE1 HIS A 10 9.035 8.912 -4.493 1.00 2.83 C ATOM 155 NE2 HIS A 10 8.710 10.108 -4.990 1.00 2.92 N ATOM 0 H HIS A 10 6.644 6.586 -4.069 1.00 0.39 H new ATOM 0 HA HIS A 10 6.137 7.875 -1.705 1.00 0.44 H new ATOM 0 HB2 HIS A 10 4.897 8.514 -4.442 1.00 0.49 H new ATOM 0 HB3 HIS A 10 5.045 9.661 -3.124 1.00 0.49 H new ATOM 0 HD2 HIS A 10 6.764 11.124 -4.970 1.00 2.12 H new ATOM 0 HE1 HIS A 10 10.026 8.485 -4.543 1.00 2.83 H new ATOM 0 HE2 HIS A 10 9.322 10.767 -5.471 1.00 2.92 H new ATOM 163 N ARG A 11 3.575 8.079 -1.201 1.00 0.43 N ATOM 164 CA ARG A 11 2.151 7.882 -0.826 1.00 0.43 C ATOM 165 C ARG A 11 1.340 8.181 -2.081 1.00 0.37 C ATOM 166 O ARG A 11 0.206 7.773 -2.231 1.00 0.40 O ATOM 167 CB ARG A 11 1.743 8.864 0.277 1.00 0.50 C ATOM 168 CG ARG A 11 2.567 8.614 1.542 1.00 1.42 C ATOM 169 CD ARG A 11 2.004 9.466 2.684 1.00 1.76 C ATOM 170 NE ARG A 11 2.304 10.903 2.434 1.00 2.63 N ATOM 171 CZ ARG A 11 1.625 11.829 3.055 1.00 3.16 C ATOM 172 NH1 ARG A 11 0.648 11.498 3.856 1.00 3.06 N ATOM 173 NH2 ARG A 11 1.914 13.088 2.866 1.00 4.19 N ATOM 0 H ARG A 11 4.080 8.783 -0.662 1.00 0.43 H new ATOM 0 HA ARG A 11 1.984 6.871 -0.455 1.00 0.43 H new ATOM 0 HB2 ARG A 11 1.891 9.888 -0.065 1.00 0.50 H new ATOM 0 HB3 ARG A 11 0.682 8.752 0.498 1.00 0.50 H new ATOM 0 HG2 ARG A 11 2.534 7.558 1.809 1.00 1.42 H new ATOM 0 HG3 ARG A 11 3.613 8.866 1.365 1.00 1.42 H new ATOM 0 HD2 ARG A 11 0.927 9.318 2.764 1.00 1.76 H new ATOM 0 HD3 ARG A 11 2.440 9.153 3.633 1.00 1.76 H new ATOM 0 HE ARG A 11 3.040 11.164 1.778 1.00 2.63 H new ATOM 0 HH11 ARG A 11 0.415 10.515 3.997 1.00 3.06 H new ATOM 0 HH12 ARG A 11 0.118 12.222 4.341 1.00 3.06 H new ATOM 0 HH21 ARG A 11 2.670 13.348 2.233 1.00 4.19 H new ATOM 0 HH22 ARG A 11 1.383 13.811 3.351 1.00 4.19 H new ATOM 187 N ALA A 12 1.947 8.909 -2.984 1.00 0.34 N ATOM 188 CA ALA A 12 1.279 9.272 -4.262 1.00 0.32 C ATOM 189 C ALA A 12 1.594 8.204 -5.315 1.00 0.27 C ATOM 190 O ALA A 12 0.797 7.920 -6.172 1.00 0.25 O ATOM 191 CB ALA A 12 1.799 10.633 -4.733 1.00 0.39 C ATOM 0 H ALA A 12 2.895 9.272 -2.883 1.00 0.34 H new ATOM 0 HA ALA A 12 0.200 9.329 -4.115 1.00 0.32 H new ATOM 0 HB1 ALA A 12 1.312 10.904 -5.670 1.00 0.39 H new ATOM 0 HB2 ALA A 12 1.579 11.388 -3.978 1.00 0.39 H new ATOM 0 HB3 ALA A 12 2.877 10.577 -4.887 1.00 0.39 H new ATOM 197 N ASP A 13 2.748 7.600 -5.253 1.00 0.27 N ATOM 198 CA ASP A 13 3.078 6.545 -6.254 1.00 0.26 C ATOM 199 C ASP A 13 2.195 5.347 -5.955 1.00 0.23 C ATOM 200 O ASP A 13 1.900 4.535 -6.809 1.00 0.24 O ATOM 201 CB ASP A 13 4.547 6.141 -6.142 1.00 0.30 C ATOM 202 CG ASP A 13 5.433 7.243 -6.723 1.00 0.37 C ATOM 203 OD1 ASP A 13 5.113 7.731 -7.793 1.00 1.15 O ATOM 204 OD2 ASP A 13 6.420 7.578 -6.088 1.00 1.15 O ATOM 0 H ASP A 13 3.472 7.788 -4.559 1.00 0.27 H new ATOM 0 HA ASP A 13 2.908 6.917 -7.264 1.00 0.26 H new ATOM 0 HB2 ASP A 13 4.807 5.965 -5.098 1.00 0.30 H new ATOM 0 HB3 ASP A 13 4.718 5.206 -6.675 1.00 0.30 H new ATOM 209 N VAL A 14 1.748 5.256 -4.737 1.00 0.22 N ATOM 210 CA VAL A 14 0.857 4.141 -4.350 1.00 0.22 C ATOM 211 C VAL A 14 -0.528 4.448 -4.909 1.00 0.21 C ATOM 212 O VAL A 14 -1.048 3.741 -5.744 1.00 0.21 O ATOM 213 CB VAL A 14 0.790 4.064 -2.816 1.00 0.27 C ATOM 214 CG1 VAL A 14 -0.310 3.095 -2.377 1.00 0.32 C ATOM 215 CG2 VAL A 14 2.133 3.580 -2.268 1.00 0.33 C ATOM 0 H VAL A 14 1.966 5.914 -3.989 1.00 0.22 H new ATOM 0 HA VAL A 14 1.224 3.191 -4.738 1.00 0.22 H new ATOM 0 HB VAL A 14 0.566 5.057 -2.427 1.00 0.27 H new ATOM 0 HG11 VAL A 14 -0.344 3.052 -1.288 1.00 0.32 H new ATOM 0 HG12 VAL A 14 -1.272 3.440 -2.757 1.00 0.32 H new ATOM 0 HG13 VAL A 14 -0.099 2.102 -2.773 1.00 0.32 H new ATOM 0 HG21 VAL A 14 2.084 3.526 -1.180 1.00 0.33 H new ATOM 0 HG22 VAL A 14 2.356 2.592 -2.671 1.00 0.33 H new ATOM 0 HG23 VAL A 14 2.918 4.277 -2.562 1.00 0.33 H new ATOM 225 N ILE A 15 -1.122 5.513 -4.454 1.00 0.24 N ATOM 226 CA ILE A 15 -2.478 5.883 -4.939 1.00 0.27 C ATOM 227 C ILE A 15 -2.423 6.353 -6.398 1.00 0.26 C ATOM 228 O ILE A 15 -3.209 5.931 -7.208 1.00 0.29 O ATOM 229 CB ILE A 15 -3.046 6.998 -4.055 1.00 0.33 C ATOM 230 CG1 ILE A 15 -3.016 6.550 -2.578 1.00 0.44 C ATOM 231 CG2 ILE A 15 -4.492 7.286 -4.475 1.00 0.43 C ATOM 232 CD1 ILE A 15 -3.101 7.766 -1.652 1.00 0.98 C ATOM 0 H ILE A 15 -0.723 6.148 -3.762 1.00 0.24 H new ATOM 0 HA ILE A 15 -3.123 5.006 -4.885 1.00 0.27 H new ATOM 0 HB ILE A 15 -2.445 7.900 -4.170 1.00 0.33 H new ATOM 0 HG12 ILE A 15 -3.848 5.874 -2.379 1.00 0.44 H new ATOM 0 HG13 ILE A 15 -2.099 5.995 -2.378 1.00 0.44 H new ATOM 0 HG21 ILE A 15 -4.902 8.079 -3.849 1.00 0.43 H new ATOM 0 HG22 ILE A 15 -4.512 7.600 -5.518 1.00 0.43 H new ATOM 0 HG23 ILE A 15 -5.092 6.384 -4.356 1.00 0.43 H new ATOM 0 HD11 ILE A 15 -3.079 7.435 -0.614 1.00 0.98 H new ATOM 0 HD12 ILE A 15 -2.255 8.427 -1.840 1.00 0.98 H new ATOM 0 HD13 ILE A 15 -4.030 8.303 -1.842 1.00 0.98 H new ATOM 244 N ALA A 16 -1.522 7.228 -6.748 1.00 0.25 N ATOM 245 CA ALA A 16 -1.478 7.692 -8.170 1.00 0.28 C ATOM 246 C ALA A 16 -1.230 6.492 -9.083 1.00 0.28 C ATOM 247 O ALA A 16 -1.879 6.329 -10.096 1.00 0.37 O ATOM 248 CB ALA A 16 -0.366 8.729 -8.369 1.00 0.30 C ATOM 0 H ALA A 16 -0.824 7.638 -6.127 1.00 0.25 H new ATOM 0 HA ALA A 16 -2.432 8.158 -8.418 1.00 0.28 H new ATOM 0 HB1 ALA A 16 -0.352 9.052 -9.410 1.00 0.30 H new ATOM 0 HB2 ALA A 16 -0.550 9.588 -7.724 1.00 0.30 H new ATOM 0 HB3 ALA A 16 0.596 8.284 -8.114 1.00 0.30 H new ATOM 254 N GLY A 17 -0.305 5.645 -8.728 1.00 0.23 N ATOM 255 CA GLY A 17 -0.023 4.452 -9.575 1.00 0.25 C ATOM 256 C GLY A 17 -1.247 3.532 -9.583 1.00 0.24 C ATOM 257 O GLY A 17 -1.726 3.126 -10.624 1.00 0.26 O ATOM 0 H GLY A 17 0.268 5.727 -7.888 1.00 0.23 H new ATOM 0 HA2 GLY A 17 0.218 4.763 -10.591 1.00 0.25 H new ATOM 0 HA3 GLY A 17 0.845 3.917 -9.191 1.00 0.25 H new ATOM 261 N LEU A 18 -1.754 3.201 -8.428 1.00 0.23 N ATOM 262 CA LEU A 18 -2.947 2.308 -8.354 1.00 0.24 C ATOM 263 C LEU A 18 -4.162 3.031 -8.965 1.00 0.25 C ATOM 264 O LEU A 18 -4.788 2.552 -9.890 1.00 0.30 O ATOM 265 CB LEU A 18 -3.224 1.976 -6.876 1.00 0.25 C ATOM 266 CG LEU A 18 -2.189 0.966 -6.343 1.00 0.26 C ATOM 267 CD1 LEU A 18 -2.150 1.030 -4.814 1.00 0.25 C ATOM 268 CD2 LEU A 18 -2.580 -0.460 -6.738 1.00 0.35 C ATOM 0 H LEU A 18 -1.392 3.512 -7.527 1.00 0.23 H new ATOM 0 HA LEU A 18 -2.764 1.388 -8.909 1.00 0.24 H new ATOM 0 HB2 LEU A 18 -3.190 2.888 -6.280 1.00 0.25 H new ATOM 0 HB3 LEU A 18 -4.228 1.565 -6.772 1.00 0.25 H new ATOM 0 HG LEU A 18 -1.218 1.219 -6.768 1.00 0.26 H new ATOM 0 HD11 LEU A 18 -1.418 0.315 -4.438 1.00 0.25 H new ATOM 0 HD12 LEU A 18 -1.870 2.035 -4.499 1.00 0.25 H new ATOM 0 HD13 LEU A 18 -3.134 0.785 -4.414 1.00 0.25 H new ATOM 0 HD21 LEU A 18 -1.838 -1.160 -6.354 1.00 0.35 H new ATOM 0 HD22 LEU A 18 -3.557 -0.699 -6.318 1.00 0.35 H new ATOM 0 HD23 LEU A 18 -2.624 -0.538 -7.824 1.00 0.35 H new ATOM 280 N LYS A 19 -4.486 4.182 -8.446 1.00 0.26 N ATOM 281 CA LYS A 19 -5.652 4.978 -8.957 1.00 0.27 C ATOM 282 C LYS A 19 -5.521 5.206 -10.466 1.00 0.27 C ATOM 283 O LYS A 19 -6.462 5.591 -11.132 1.00 0.29 O ATOM 284 CB LYS A 19 -5.641 6.335 -8.239 1.00 0.31 C ATOM 285 CG LYS A 19 -6.920 7.137 -8.532 1.00 0.67 C ATOM 286 CD LYS A 19 -6.799 8.567 -7.911 1.00 0.60 C ATOM 287 CE LYS A 19 -7.914 8.840 -6.878 1.00 1.36 C ATOM 288 NZ LYS A 19 -9.121 9.357 -7.584 1.00 2.12 N ATOM 0 H LYS A 19 -3.985 4.619 -7.673 1.00 0.26 H new ATOM 0 HA LYS A 19 -6.581 4.441 -8.768 1.00 0.27 H new ATOM 0 HB2 LYS A 19 -5.546 6.179 -7.164 1.00 0.31 H new ATOM 0 HB3 LYS A 19 -4.770 6.909 -8.556 1.00 0.31 H new ATOM 0 HG2 LYS A 19 -7.077 7.209 -9.608 1.00 0.67 H new ATOM 0 HG3 LYS A 19 -7.787 6.622 -8.117 1.00 0.67 H new ATOM 0 HD2 LYS A 19 -5.826 8.674 -7.432 1.00 0.60 H new ATOM 0 HD3 LYS A 19 -6.848 9.313 -8.704 1.00 0.60 H new ATOM 0 HE2 LYS A 19 -8.158 7.925 -6.338 1.00 1.36 H new ATOM 0 HE3 LYS A 19 -7.572 9.565 -6.139 1.00 1.36 H new ATOM 0 HZ1 LYS A 19 -9.875 9.542 -6.892 1.00 2.12 H new ATOM 0 HZ2 LYS A 19 -8.882 10.239 -8.080 1.00 2.12 H new ATOM 0 HZ3 LYS A 19 -9.449 8.651 -8.273 1.00 2.12 H new ATOM 302 N LYS A 20 -4.367 4.978 -11.011 1.00 0.31 N ATOM 303 CA LYS A 20 -4.181 5.195 -12.473 1.00 0.34 C ATOM 304 C LYS A 20 -5.192 4.349 -13.240 1.00 0.31 C ATOM 305 O LYS A 20 -5.575 4.672 -14.347 1.00 0.35 O ATOM 306 CB LYS A 20 -2.742 4.811 -12.864 1.00 0.43 C ATOM 307 CG LYS A 20 -2.300 5.555 -14.135 1.00 1.04 C ATOM 308 CD LYS A 20 -0.769 5.482 -14.257 1.00 1.44 C ATOM 309 CE LYS A 20 -0.288 6.147 -15.566 1.00 1.96 C ATOM 310 NZ LYS A 20 0.237 5.095 -16.484 1.00 2.72 N ATOM 0 H LYS A 20 -3.541 4.650 -10.511 1.00 0.31 H new ATOM 0 HA LYS A 20 -4.343 6.244 -12.721 1.00 0.34 H new ATOM 0 HB2 LYS A 20 -2.063 5.048 -12.045 1.00 0.43 H new ATOM 0 HB3 LYS A 20 -2.681 3.735 -13.028 1.00 0.43 H new ATOM 0 HG2 LYS A 20 -2.768 5.110 -15.013 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -2.624 6.595 -14.093 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -0.308 5.977 -13.402 1.00 1.44 H new ATOM 0 HD3 LYS A 20 -0.448 4.441 -14.234 1.00 1.44 H new ATOM 0 HE2 LYS A 20 -1.110 6.683 -16.040 1.00 1.96 H new ATOM 0 HE3 LYS A 20 0.489 6.881 -15.352 1.00 1.96 H new ATOM 0 HZ1 LYS A 20 0.563 5.536 -17.368 1.00 2.72 H new ATOM 0 HZ2 LYS A 20 1.032 4.603 -16.029 1.00 2.72 H new ATOM 0 HZ3 LYS A 20 -0.517 4.411 -16.696 1.00 2.72 H new ATOM 324 N ARG A 21 -5.639 3.280 -12.648 1.00 0.29 N ATOM 325 CA ARG A 21 -6.643 2.406 -13.307 1.00 0.33 C ATOM 326 C ARG A 21 -7.995 2.698 -12.663 1.00 0.31 C ATOM 327 O ARG A 21 -8.759 3.509 -13.145 1.00 0.33 O ATOM 328 CB ARG A 21 -6.248 0.947 -13.077 1.00 0.38 C ATOM 329 CG ARG A 21 -4.812 0.728 -13.573 1.00 0.45 C ATOM 330 CD ARG A 21 -4.324 -0.680 -13.200 1.00 0.74 C ATOM 331 NE ARG A 21 -4.730 -1.642 -14.260 1.00 1.69 N ATOM 332 CZ ARG A 21 -4.170 -2.819 -14.314 1.00 2.24 C ATOM 333 NH1 ARG A 21 -3.269 -3.151 -13.431 1.00 2.37 N ATOM 334 NH2 ARG A 21 -4.511 -3.662 -15.249 1.00 3.26 N ATOM 0 H ARG A 21 -5.346 2.971 -11.721 1.00 0.29 H new ATOM 0 HA ARG A 21 -6.694 2.590 -14.380 1.00 0.33 H new ATOM 0 HB2 ARG A 21 -6.321 0.701 -12.018 1.00 0.38 H new ATOM 0 HB3 ARG A 21 -6.933 0.285 -13.606 1.00 0.38 H new ATOM 0 HG2 ARG A 21 -4.770 0.859 -14.654 1.00 0.45 H new ATOM 0 HG3 ARG A 21 -4.151 1.476 -13.135 1.00 0.45 H new ATOM 0 HD2 ARG A 21 -3.240 -0.683 -13.087 1.00 0.74 H new ATOM 0 HD3 ARG A 21 -4.745 -0.980 -12.241 1.00 0.74 H new ATOM 0 HE ARG A 21 -5.443 -1.382 -14.942 1.00 1.69 H new ATOM 0 HH11 ARG A 21 -3.004 -2.491 -12.700 1.00 2.37 H new ATOM 0 HH12 ARG A 21 -2.830 -4.071 -13.471 1.00 2.37 H new ATOM 0 HH21 ARG A 21 -5.216 -3.401 -15.939 1.00 3.26 H new ATOM 0 HH22 ARG A 21 -4.073 -4.582 -15.291 1.00 3.26 H new ATOM 348 N LYS A 22 -8.282 2.072 -11.557 1.00 0.30 N ATOM 349 CA LYS A 22 -9.563 2.350 -10.856 1.00 0.32 C ATOM 350 C LYS A 22 -9.438 1.869 -9.412 1.00 0.29 C ATOM 351 O LYS A 22 -10.143 0.969 -9.001 1.00 0.34 O ATOM 352 CB LYS A 22 -10.727 1.586 -11.514 1.00 0.40 C ATOM 353 CG LYS A 22 -11.215 2.290 -12.786 1.00 1.46 C ATOM 354 CD LYS A 22 -12.621 1.777 -13.127 1.00 1.94 C ATOM 355 CE LYS A 22 -13.079 2.347 -14.471 1.00 2.62 C ATOM 356 NZ LYS A 22 -12.469 1.555 -15.576 1.00 3.25 N ATOM 0 H LYS A 22 -7.683 1.379 -11.108 1.00 0.30 H new ATOM 0 HA LYS A 22 -9.764 3.420 -10.906 1.00 0.32 H new ATOM 0 HB2 LYS A 22 -10.407 0.573 -11.758 1.00 0.40 H new ATOM 0 HB3 LYS A 22 -11.552 1.498 -10.807 1.00 0.40 H new ATOM 0 HG2 LYS A 22 -11.233 3.370 -12.637 1.00 1.46 H new ATOM 0 HG3 LYS A 22 -10.531 2.094 -13.612 1.00 1.46 H new ATOM 0 HD2 LYS A 22 -12.619 0.688 -13.167 1.00 1.94 H new ATOM 0 HD3 LYS A 22 -13.322 2.066 -12.343 1.00 1.94 H new ATOM 0 HE2 LYS A 22 -14.166 2.314 -14.542 1.00 2.62 H new ATOM 0 HE3 LYS A 22 -12.786 3.394 -14.554 1.00 2.62 H new ATOM 0 HZ1 LYS A 22 -12.270 2.181 -16.382 1.00 3.25 H new ATOM 0 HZ2 LYS A 22 -11.583 1.123 -15.245 1.00 3.25 H new ATOM 0 HZ3 LYS A 22 -13.129 0.808 -15.873 1.00 3.25 H new ATOM 370 N LEU A 23 -8.552 2.437 -8.641 1.00 0.27 N ATOM 371 CA LEU A 23 -8.392 1.972 -7.228 1.00 0.26 C ATOM 372 C LEU A 23 -8.155 3.166 -6.302 1.00 0.28 C ATOM 373 O LEU A 23 -7.460 4.106 -6.628 1.00 0.33 O ATOM 374 CB LEU A 23 -7.182 1.036 -7.141 1.00 0.28 C ATOM 375 CG LEU A 23 -7.351 -0.223 -8.013 1.00 0.34 C ATOM 376 CD1 LEU A 23 -6.032 -0.990 -7.999 1.00 0.41 C ATOM 377 CD2 LEU A 23 -8.443 -1.156 -7.465 1.00 0.43 C ATOM 0 H LEU A 23 -7.934 3.198 -8.923 1.00 0.27 H new ATOM 0 HA LEU A 23 -9.300 1.451 -6.922 1.00 0.26 H new ATOM 0 HB2 LEU A 23 -6.287 1.574 -7.453 1.00 0.28 H new ATOM 0 HB3 LEU A 23 -7.030 0.739 -6.103 1.00 0.28 H new ATOM 0 HG LEU A 23 -7.635 0.092 -9.017 1.00 0.34 H new ATOM 0 HD11 LEU A 23 -6.126 -1.887 -8.611 1.00 0.41 H new ATOM 0 HD12 LEU A 23 -5.240 -0.359 -8.401 1.00 0.41 H new ATOM 0 HD13 LEU A 23 -5.786 -1.273 -6.975 1.00 0.41 H new ATOM 0 HD21 LEU A 23 -8.530 -2.031 -8.109 1.00 0.43 H new ATOM 0 HD22 LEU A 23 -8.179 -1.472 -6.456 1.00 0.43 H new ATOM 0 HD23 LEU A 23 -9.396 -0.627 -7.441 1.00 0.43 H new ATOM 389 N SER A 24 -8.728 3.116 -5.134 1.00 0.27 N ATOM 390 CA SER A 24 -8.549 4.216 -4.145 1.00 0.32 C ATOM 391 C SER A 24 -8.588 3.601 -2.748 1.00 0.33 C ATOM 392 O SER A 24 -9.512 2.894 -2.407 1.00 0.36 O ATOM 393 CB SER A 24 -9.678 5.239 -4.298 1.00 0.35 C ATOM 394 OG SER A 24 -10.901 4.556 -4.535 1.00 0.40 O ATOM 0 H SER A 24 -9.321 2.349 -4.817 1.00 0.27 H new ATOM 0 HA SER A 24 -7.599 4.725 -4.308 1.00 0.32 H new ATOM 0 HB2 SER A 24 -9.757 5.848 -3.398 1.00 0.35 H new ATOM 0 HB3 SER A 24 -9.461 5.917 -5.123 1.00 0.35 H new ATOM 0 HG SER A 24 -11.626 5.208 -4.632 1.00 0.40 H new ATOM 400 N LEU A 25 -7.582 3.835 -1.952 1.00 0.34 N ATOM 401 CA LEU A 25 -7.545 3.241 -0.578 1.00 0.36 C ATOM 402 C LEU A 25 -8.938 3.284 0.069 1.00 0.39 C ATOM 403 O LEU A 25 -9.250 2.495 0.939 1.00 0.49 O ATOM 404 CB LEU A 25 -6.559 4.031 0.288 1.00 0.38 C ATOM 405 CG LEU A 25 -5.155 3.999 -0.347 1.00 0.39 C ATOM 406 CD1 LEU A 25 -4.324 5.171 0.185 1.00 0.81 C ATOM 407 CD2 LEU A 25 -4.444 2.683 0.002 1.00 0.71 C ATOM 0 H LEU A 25 -6.778 4.415 -2.192 1.00 0.34 H new ATOM 0 HA LEU A 25 -7.227 2.201 -0.654 1.00 0.36 H new ATOM 0 HB2 LEU A 25 -6.897 5.062 0.390 1.00 0.38 H new ATOM 0 HB3 LEU A 25 -6.523 3.607 1.291 1.00 0.38 H new ATOM 0 HG LEU A 25 -5.259 4.077 -1.429 1.00 0.39 H new ATOM 0 HD11 LEU A 25 -3.331 5.147 -0.265 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -4.815 6.110 -0.069 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -4.233 5.091 1.268 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -3.453 2.673 -0.453 1.00 0.71 H new ATOM 0 HD22 LEU A 25 -4.347 2.598 1.084 1.00 0.71 H new ATOM 0 HD23 LEU A 25 -5.026 1.843 -0.378 1.00 0.71 H new ATOM 419 N SER A 26 -9.777 4.191 -0.351 1.00 0.40 N ATOM 420 CA SER A 26 -11.142 4.273 0.244 1.00 0.45 C ATOM 421 C SER A 26 -12.031 3.166 -0.337 1.00 0.44 C ATOM 422 O SER A 26 -12.856 2.596 0.349 1.00 0.47 O ATOM 423 CB SER A 26 -11.749 5.653 -0.068 1.00 0.52 C ATOM 424 OG SER A 26 -12.751 5.524 -1.072 1.00 1.54 O ATOM 0 H SER A 26 -9.578 4.877 -1.079 1.00 0.40 H new ATOM 0 HA SER A 26 -11.078 4.141 1.324 1.00 0.45 H new ATOM 0 HB2 SER A 26 -12.180 6.083 0.836 1.00 0.52 H new ATOM 0 HB3 SER A 26 -10.969 6.336 -0.405 1.00 0.52 H new ATOM 0 HG SER A 26 -13.135 6.404 -1.266 1.00 1.54 H new ATOM 430 N ALA A 27 -11.880 2.868 -1.597 1.00 0.43 N ATOM 431 CA ALA A 27 -12.725 1.810 -2.223 1.00 0.46 C ATOM 432 C ALA A 27 -12.268 0.423 -1.752 1.00 0.40 C ATOM 433 O ALA A 27 -13.072 -0.415 -1.397 1.00 0.39 O ATOM 434 CB ALA A 27 -12.603 1.904 -3.750 1.00 0.57 C ATOM 0 H ALA A 27 -11.207 3.311 -2.222 1.00 0.43 H new ATOM 0 HA ALA A 27 -13.764 1.957 -1.928 1.00 0.46 H new ATOM 0 HB1 ALA A 27 -13.219 1.133 -4.212 1.00 0.57 H new ATOM 0 HB2 ALA A 27 -12.941 2.886 -4.082 1.00 0.57 H new ATOM 0 HB3 ALA A 27 -11.563 1.761 -4.041 1.00 0.57 H new ATOM 440 N LEU A 28 -10.989 0.173 -1.746 1.00 0.41 N ATOM 441 CA LEU A 28 -10.496 -1.161 -1.307 1.00 0.42 C ATOM 442 C LEU A 28 -10.869 -1.387 0.154 1.00 0.36 C ATOM 443 O LEU A 28 -11.019 -2.505 0.599 1.00 0.38 O ATOM 444 CB LEU A 28 -8.972 -1.224 -1.454 1.00 0.50 C ATOM 445 CG LEU A 28 -8.607 -1.366 -2.934 1.00 0.76 C ATOM 446 CD1 LEU A 28 -9.110 -0.145 -3.715 1.00 1.80 C ATOM 447 CD2 LEU A 28 -7.083 -1.478 -3.077 1.00 0.76 C ATOM 0 H LEU A 28 -10.264 0.834 -2.026 1.00 0.41 H new ATOM 0 HA LEU A 28 -10.953 -1.933 -1.926 1.00 0.42 H new ATOM 0 HB2 LEU A 28 -8.519 -0.323 -1.042 1.00 0.50 H new ATOM 0 HB3 LEU A 28 -8.576 -2.067 -0.888 1.00 0.50 H new ATOM 0 HG LEU A 28 -9.077 -2.264 -3.335 1.00 0.76 H new ATOM 0 HD11 LEU A 28 -8.847 -0.253 -4.767 1.00 1.80 H new ATOM 0 HD12 LEU A 28 -10.193 -0.072 -3.617 1.00 1.80 H new ATOM 0 HD13 LEU A 28 -8.648 0.758 -3.316 1.00 1.80 H new ATOM 0 HD21 LEU A 28 -6.823 -1.579 -4.131 1.00 0.76 H new ATOM 0 HD22 LEU A 28 -6.613 -0.582 -2.671 1.00 0.76 H new ATOM 0 HD23 LEU A 28 -6.730 -2.352 -2.531 1.00 0.76 H new ATOM 459 N SER A 29 -11.018 -0.337 0.903 1.00 0.36 N ATOM 460 CA SER A 29 -11.367 -0.499 2.342 1.00 0.39 C ATOM 461 C SER A 29 -12.796 -1.030 2.490 1.00 0.39 C ATOM 462 O SER A 29 -13.026 -2.053 3.105 1.00 0.43 O ATOM 463 CB SER A 29 -11.258 0.852 3.045 1.00 0.45 C ATOM 464 OG SER A 29 -12.438 1.606 2.800 1.00 1.39 O ATOM 0 H SER A 29 -10.914 0.627 0.585 1.00 0.36 H new ATOM 0 HA SER A 29 -10.676 -1.212 2.793 1.00 0.39 H new ATOM 0 HB2 SER A 29 -11.121 0.707 4.117 1.00 0.45 H new ATOM 0 HB3 SER A 29 -10.385 1.394 2.683 1.00 0.45 H new ATOM 0 HG SER A 29 -12.325 2.133 1.982 1.00 1.39 H new ATOM 470 N ARG A 30 -13.760 -0.330 1.960 1.00 0.42 N ATOM 471 CA ARG A 30 -15.170 -0.791 2.093 1.00 0.49 C ATOM 472 C ARG A 30 -15.411 -2.044 1.245 1.00 0.44 C ATOM 473 O ARG A 30 -16.337 -2.791 1.488 1.00 0.47 O ATOM 474 CB ARG A 30 -16.121 0.323 1.656 1.00 0.61 C ATOM 475 CG ARG A 30 -15.837 0.707 0.199 1.00 0.97 C ATOM 476 CD ARG A 30 -16.632 1.974 -0.188 1.00 1.25 C ATOM 477 NE ARG A 30 -17.261 1.770 -1.520 1.00 1.80 N ATOM 478 CZ ARG A 30 -18.218 2.564 -1.915 1.00 2.32 C ATOM 479 NH1 ARG A 30 -18.617 3.538 -1.143 1.00 2.52 N ATOM 480 NH2 ARG A 30 -18.778 2.383 -3.080 1.00 3.20 N ATOM 0 H ARG A 30 -13.633 0.539 1.442 1.00 0.42 H new ATOM 0 HA ARG A 30 -15.358 -1.039 3.138 1.00 0.49 H new ATOM 0 HB2 ARG A 30 -17.155 -0.007 1.760 1.00 0.61 H new ATOM 0 HB3 ARG A 30 -15.998 1.193 2.301 1.00 0.61 H new ATOM 0 HG2 ARG A 30 -14.770 0.884 0.064 1.00 0.97 H new ATOM 0 HG3 ARG A 30 -16.109 -0.117 -0.461 1.00 0.97 H new ATOM 0 HD2 ARG A 30 -17.397 2.180 0.561 1.00 1.25 H new ATOM 0 HD3 ARG A 30 -15.970 2.839 -0.214 1.00 1.25 H new ATOM 0 HE ARG A 30 -16.945 1.011 -2.124 1.00 1.80 H new ATOM 0 HH11 ARG A 30 -18.181 3.678 -0.232 1.00 2.52 H new ATOM 0 HH12 ARG A 30 -19.365 4.159 -1.451 1.00 2.52 H new ATOM 0 HH21 ARG A 30 -18.468 1.620 -3.682 1.00 3.20 H new ATOM 0 HH22 ARG A 30 -19.526 3.004 -3.388 1.00 3.20 H new ATOM 494 N GLN A 31 -14.595 -2.292 0.256 1.00 0.40 N ATOM 495 CA GLN A 31 -14.808 -3.506 -0.579 1.00 0.42 C ATOM 496 C GLN A 31 -14.612 -4.746 0.299 1.00 0.41 C ATOM 497 O GLN A 31 -15.222 -5.774 0.079 1.00 0.46 O ATOM 498 CB GLN A 31 -13.800 -3.517 -1.739 1.00 0.46 C ATOM 499 CG GLN A 31 -14.344 -2.697 -2.917 1.00 0.52 C ATOM 500 CD GLN A 31 -13.261 -2.568 -3.991 1.00 0.74 C ATOM 501 OE1 GLN A 31 -12.951 -1.479 -4.431 1.00 1.41 O ATOM 502 NE2 GLN A 31 -12.671 -3.643 -4.438 1.00 1.32 N ATOM 0 H GLN A 31 -13.798 -1.712 -0.007 1.00 0.40 H new ATOM 0 HA GLN A 31 -15.817 -3.505 -0.992 1.00 0.42 H new ATOM 0 HB2 GLN A 31 -12.847 -3.104 -1.407 1.00 0.46 H new ATOM 0 HB3 GLN A 31 -13.610 -4.542 -2.056 1.00 0.46 H new ATOM 0 HG2 GLN A 31 -15.228 -3.180 -3.333 1.00 0.52 H new ATOM 0 HG3 GLN A 31 -14.652 -1.709 -2.575 1.00 0.52 H new ATOM 0 HE21 GLN A 31 -12.930 -4.558 -4.069 1.00 1.32 H new ATOM 0 HE22 GLN A 31 -11.950 -3.568 -5.156 1.00 1.32 H new ATOM 511 N PHE A 32 -13.774 -4.647 1.302 1.00 0.37 N ATOM 512 CA PHE A 32 -13.533 -5.807 2.218 1.00 0.40 C ATOM 513 C PHE A 32 -14.253 -5.547 3.546 1.00 0.42 C ATOM 514 O PHE A 32 -14.644 -6.468 4.235 1.00 0.50 O ATOM 515 CB PHE A 32 -12.025 -5.969 2.460 1.00 0.42 C ATOM 516 CG PHE A 32 -11.396 -6.637 1.257 1.00 0.44 C ATOM 517 CD1 PHE A 32 -10.977 -5.863 0.158 1.00 0.43 C ATOM 518 CD2 PHE A 32 -11.244 -8.037 1.229 1.00 0.52 C ATOM 519 CE1 PHE A 32 -10.408 -6.487 -0.968 1.00 0.50 C ATOM 520 CE2 PHE A 32 -10.673 -8.661 0.104 1.00 0.58 C ATOM 521 CZ PHE A 32 -10.255 -7.886 -0.995 1.00 0.57 C ATOM 0 H PHE A 32 -13.242 -3.806 1.527 1.00 0.37 H new ATOM 0 HA PHE A 32 -13.916 -6.723 1.768 1.00 0.40 H new ATOM 0 HB2 PHE A 32 -11.566 -4.996 2.632 1.00 0.42 H new ATOM 0 HB3 PHE A 32 -11.850 -6.566 3.355 1.00 0.42 H new ATOM 0 HD1 PHE A 32 -11.092 -4.789 0.179 1.00 0.43 H new ATOM 0 HD2 PHE A 32 -11.566 -8.632 2.071 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -10.089 -5.892 -1.811 1.00 0.50 H new ATOM 0 HE2 PHE A 32 -10.555 -9.734 0.084 1.00 0.58 H new ATOM 0 HZ PHE A 32 -9.817 -8.365 -1.858 1.00 0.57 H new ATOM 531 N GLY A 33 -14.449 -4.294 3.900 1.00 0.39 N ATOM 532 CA GLY A 33 -15.168 -3.957 5.172 1.00 0.46 C ATOM 533 C GLY A 33 -14.305 -3.061 6.066 1.00 0.39 C ATOM 534 O GLY A 33 -14.778 -2.085 6.613 1.00 0.70 O ATOM 0 H GLY A 33 -14.139 -3.488 3.358 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -16.106 -3.452 4.942 1.00 0.46 H new ATOM 0 HA3 GLY A 33 -15.422 -4.873 5.705 1.00 0.46 H new ATOM 538 N TYR A 34 -13.052 -3.388 6.237 1.00 0.36 N ATOM 539 CA TYR A 34 -12.180 -2.558 7.122 1.00 0.36 C ATOM 540 C TYR A 34 -12.388 -1.066 6.832 1.00 0.53 C ATOM 541 O TYR A 34 -12.239 -0.607 5.718 1.00 1.27 O ATOM 542 CB TYR A 34 -10.711 -2.930 6.901 1.00 0.32 C ATOM 543 CG TYR A 34 -10.570 -4.438 6.887 1.00 0.34 C ATOM 544 CD1 TYR A 34 -11.040 -5.207 7.974 1.00 0.39 C ATOM 545 CD2 TYR A 34 -9.975 -5.078 5.783 1.00 0.39 C ATOM 546 CE1 TYR A 34 -10.915 -6.608 7.952 1.00 0.46 C ATOM 547 CE2 TYR A 34 -9.852 -6.478 5.763 1.00 0.47 C ATOM 548 CZ TYR A 34 -10.322 -7.244 6.846 1.00 0.49 C ATOM 549 OH TYR A 34 -10.201 -8.618 6.824 1.00 0.59 O ATOM 0 H TYR A 34 -12.595 -4.191 5.805 1.00 0.36 H new ATOM 0 HA TYR A 34 -12.449 -2.753 8.160 1.00 0.36 H new ATOM 0 HB2 TYR A 34 -10.356 -2.512 5.959 1.00 0.32 H new ATOM 0 HB3 TYR A 34 -10.094 -2.503 7.692 1.00 0.32 H new ATOM 0 HD1 TYR A 34 -11.496 -4.719 8.823 1.00 0.39 H new ATOM 0 HD2 TYR A 34 -9.613 -4.493 4.951 1.00 0.39 H new ATOM 0 HE1 TYR A 34 -11.274 -7.195 8.784 1.00 0.46 H new ATOM 0 HE2 TYR A 34 -9.396 -6.967 4.915 1.00 0.47 H new ATOM 0 HH TYR A 34 -9.771 -8.895 5.988 1.00 0.59 H new ATOM 559 N ALA A 35 -12.746 -0.314 7.839 1.00 0.36 N ATOM 560 CA ALA A 35 -12.978 1.150 7.655 1.00 0.32 C ATOM 561 C ALA A 35 -11.819 1.754 6.831 1.00 0.26 C ATOM 562 O ALA A 35 -10.746 1.188 6.795 1.00 0.27 O ATOM 563 CB ALA A 35 -13.045 1.812 9.047 1.00 0.48 C ATOM 0 H ALA A 35 -12.889 -0.654 8.790 1.00 0.36 H new ATOM 0 HA ALA A 35 -13.913 1.324 7.122 1.00 0.32 H new ATOM 0 HB1 ALA A 35 -13.214 2.883 8.933 1.00 0.48 H new ATOM 0 HB2 ALA A 35 -13.863 1.374 9.619 1.00 0.48 H new ATOM 0 HB3 ALA A 35 -12.105 1.647 9.574 1.00 0.48 H new ATOM 569 N PRO A 36 -12.054 2.895 6.201 1.00 0.31 N ATOM 570 CA PRO A 36 -11.004 3.562 5.401 1.00 0.33 C ATOM 571 C PRO A 36 -9.772 3.856 6.275 1.00 0.31 C ATOM 572 O PRO A 36 -8.662 3.935 5.787 1.00 0.36 O ATOM 573 CB PRO A 36 -11.658 4.871 4.893 1.00 0.44 C ATOM 574 CG PRO A 36 -13.093 4.939 5.491 1.00 0.52 C ATOM 575 CD PRO A 36 -13.355 3.606 6.225 1.00 0.44 C ATOM 0 HA PRO A 36 -10.653 2.943 4.575 1.00 0.33 H new ATOM 0 HB2 PRO A 36 -11.073 5.737 5.202 1.00 0.44 H new ATOM 0 HB3 PRO A 36 -11.695 4.883 3.804 1.00 0.44 H new ATOM 0 HG2 PRO A 36 -13.182 5.779 6.179 1.00 0.52 H new ATOM 0 HG3 PRO A 36 -13.830 5.094 4.703 1.00 0.52 H new ATOM 0 HD2 PRO A 36 -13.693 3.778 7.247 1.00 0.44 H new ATOM 0 HD3 PRO A 36 -14.131 3.026 5.726 1.00 0.44 H new ATOM 583 N THR A 37 -9.962 4.029 7.554 1.00 0.32 N ATOM 584 CA THR A 37 -8.803 4.326 8.446 1.00 0.34 C ATOM 585 C THR A 37 -7.830 3.144 8.444 1.00 0.31 C ATOM 586 O THR A 37 -6.633 3.313 8.332 1.00 0.30 O ATOM 587 CB THR A 37 -9.304 4.565 9.873 1.00 0.41 C ATOM 588 OG1 THR A 37 -9.881 3.368 10.375 1.00 0.46 O ATOM 589 CG2 THR A 37 -10.352 5.679 9.873 1.00 0.51 C ATOM 0 H THR A 37 -10.868 3.978 8.021 1.00 0.32 H new ATOM 0 HA THR A 37 -8.291 5.217 8.082 1.00 0.34 H new ATOM 0 HB THR A 37 -8.468 4.861 10.506 1.00 0.41 H new ATOM 0 HG1 THR A 37 -10.201 3.517 11.289 1.00 0.46 H new ATOM 0 HG21 THR A 37 -10.706 5.846 10.890 1.00 0.51 H new ATOM 0 HG22 THR A 37 -9.907 6.597 9.488 1.00 0.51 H new ATOM 0 HG23 THR A 37 -11.191 5.389 9.240 1.00 0.51 H new ATOM 597 N THR A 38 -8.336 1.950 8.570 1.00 0.31 N ATOM 598 CA THR A 38 -7.446 0.755 8.586 1.00 0.31 C ATOM 599 C THR A 38 -6.556 0.748 7.343 1.00 0.26 C ATOM 600 O THR A 38 -5.344 0.748 7.432 1.00 0.26 O ATOM 601 CB THR A 38 -8.318 -0.513 8.589 1.00 0.35 C ATOM 602 OG1 THR A 38 -9.025 -0.583 9.818 1.00 0.43 O ATOM 603 CG2 THR A 38 -7.461 -1.790 8.423 1.00 0.33 C ATOM 0 H THR A 38 -9.332 1.749 8.663 1.00 0.31 H new ATOM 0 HA THR A 38 -6.816 0.784 9.475 1.00 0.31 H new ATOM 0 HB THR A 38 -9.010 -0.456 7.749 1.00 0.35 H new ATOM 0 HG1 THR A 38 -9.585 -1.387 9.828 1.00 0.43 H new ATOM 0 HG21 THR A 38 -8.109 -2.666 8.430 1.00 0.33 H new ATOM 0 HG22 THR A 38 -6.921 -1.745 7.477 1.00 0.33 H new ATOM 0 HG23 THR A 38 -6.749 -1.859 9.245 1.00 0.33 H new ATOM 611 N LEU A 39 -7.149 0.703 6.189 1.00 0.29 N ATOM 612 CA LEU A 39 -6.348 0.657 4.938 1.00 0.30 C ATOM 613 C LEU A 39 -5.293 1.777 4.954 1.00 0.29 C ATOM 614 O LEU A 39 -4.133 1.559 4.665 1.00 0.32 O ATOM 615 CB LEU A 39 -7.314 0.834 3.745 1.00 0.38 C ATOM 616 CG LEU A 39 -6.809 0.220 2.382 1.00 0.36 C ATOM 617 CD1 LEU A 39 -5.481 -0.546 2.479 1.00 0.65 C ATOM 618 CD2 LEU A 39 -7.868 -0.741 1.827 1.00 1.26 C ATOM 0 H LEU A 39 -8.160 0.696 6.056 1.00 0.29 H new ATOM 0 HA LEU A 39 -5.826 -0.296 4.851 1.00 0.30 H new ATOM 0 HB2 LEU A 39 -8.270 0.377 4.000 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -7.498 1.899 3.601 1.00 0.38 H new ATOM 0 HG LEU A 39 -6.640 1.074 1.726 1.00 0.36 H new ATOM 0 HD11 LEU A 39 -5.211 -0.933 1.496 1.00 0.65 H new ATOM 0 HD12 LEU A 39 -4.698 0.126 2.832 1.00 0.65 H new ATOM 0 HD13 LEU A 39 -5.590 -1.375 3.178 1.00 0.65 H new ATOM 0 HD21 LEU A 39 -7.518 -1.164 0.886 1.00 1.26 H new ATOM 0 HD22 LEU A 39 -8.042 -1.544 2.543 1.00 1.26 H new ATOM 0 HD23 LEU A 39 -8.798 -0.199 1.657 1.00 1.26 H new ATOM 630 N ALA A 40 -5.694 2.977 5.278 1.00 0.34 N ATOM 631 CA ALA A 40 -4.726 4.115 5.306 1.00 0.40 C ATOM 632 C ALA A 40 -3.621 3.831 6.335 1.00 0.36 C ATOM 633 O ALA A 40 -2.449 3.817 6.016 1.00 0.39 O ATOM 634 CB ALA A 40 -5.475 5.403 5.684 1.00 0.50 C ATOM 0 H ALA A 40 -6.653 3.220 5.526 1.00 0.34 H new ATOM 0 HA ALA A 40 -4.270 4.234 4.323 1.00 0.40 H new ATOM 0 HB1 ALA A 40 -4.775 6.238 5.706 1.00 0.50 H new ATOM 0 HB2 ALA A 40 -6.253 5.601 4.946 1.00 0.50 H new ATOM 0 HB3 ALA A 40 -5.930 5.284 6.668 1.00 0.50 H new ATOM 640 N ASN A 41 -3.995 3.614 7.566 1.00 0.37 N ATOM 641 CA ASN A 41 -2.987 3.343 8.634 1.00 0.43 C ATOM 642 C ASN A 41 -2.114 2.143 8.234 1.00 0.37 C ATOM 643 O ASN A 41 -1.102 1.875 8.849 1.00 0.43 O ATOM 644 CB ASN A 41 -3.738 3.038 9.960 1.00 0.56 C ATOM 645 CG ASN A 41 -3.598 4.193 10.967 1.00 1.18 C ATOM 646 OD1 ASN A 41 -3.152 5.272 10.629 1.00 1.83 O ATOM 647 ND2 ASN A 41 -3.970 4.004 12.203 1.00 2.09 N ATOM 0 H ASN A 41 -4.965 3.613 7.882 1.00 0.37 H new ATOM 0 HA ASN A 41 -2.342 4.212 8.767 1.00 0.43 H new ATOM 0 HB2 ASN A 41 -4.793 2.863 9.750 1.00 0.56 H new ATOM 0 HB3 ASN A 41 -3.345 2.121 10.399 1.00 0.56 H new ATOM 0 HD21 ASN A 41 -3.886 4.760 12.882 1.00 2.09 H new ATOM 0 HD22 ASN A 41 -4.345 3.100 12.490 1.00 2.09 H new ATOM 654 N ALA A 42 -2.500 1.412 7.226 1.00 0.32 N ATOM 655 CA ALA A 42 -1.690 0.228 6.819 1.00 0.35 C ATOM 656 C ALA A 42 -0.384 0.685 6.151 1.00 0.41 C ATOM 657 O ALA A 42 0.387 -0.121 5.668 1.00 0.59 O ATOM 658 CB ALA A 42 -2.514 -0.639 5.845 1.00 0.43 C ATOM 0 H ALA A 42 -3.337 1.581 6.668 1.00 0.32 H new ATOM 0 HA ALA A 42 -1.437 -0.361 7.701 1.00 0.35 H new ATOM 0 HB1 ALA A 42 -1.927 -1.506 5.544 1.00 0.43 H new ATOM 0 HB2 ALA A 42 -3.427 -0.973 6.338 1.00 0.43 H new ATOM 0 HB3 ALA A 42 -2.771 -0.052 4.964 1.00 0.43 H new ATOM 664 N LEU A 43 -0.137 1.966 6.105 1.00 0.35 N ATOM 665 CA LEU A 43 1.114 2.464 5.457 1.00 0.46 C ATOM 666 C LEU A 43 2.265 2.491 6.471 1.00 0.64 C ATOM 667 O LEU A 43 3.412 2.305 6.115 1.00 0.92 O ATOM 668 CB LEU A 43 0.876 3.877 4.920 1.00 0.42 C ATOM 669 CG LEU A 43 -0.160 3.827 3.784 1.00 0.42 C ATOM 670 CD1 LEU A 43 -0.676 5.248 3.519 1.00 0.49 C ATOM 671 CD2 LEU A 43 0.466 3.227 2.487 1.00 0.59 C ATOM 0 H LEU A 43 -0.746 2.690 6.487 1.00 0.35 H new ATOM 0 HA LEU A 43 1.381 1.795 4.639 1.00 0.46 H new ATOM 0 HB2 LEU A 43 0.522 4.527 5.720 1.00 0.42 H new ATOM 0 HB3 LEU A 43 1.811 4.301 4.555 1.00 0.42 H new ATOM 0 HG LEU A 43 -0.988 3.184 4.082 1.00 0.42 H new ATOM 0 HD11 LEU A 43 -1.411 5.224 2.715 1.00 0.49 H new ATOM 0 HD12 LEU A 43 -1.140 5.641 4.424 1.00 0.49 H new ATOM 0 HD13 LEU A 43 0.157 5.889 3.230 1.00 0.49 H new ATOM 0 HD21 LEU A 43 -0.286 3.202 1.698 1.00 0.59 H new ATOM 0 HD22 LEU A 43 1.306 3.845 2.169 1.00 0.59 H new ATOM 0 HD23 LEU A 43 0.816 2.214 2.687 1.00 0.59 H new ATOM 683 N GLU A 44 1.970 2.731 7.728 1.00 0.59 N ATOM 684 CA GLU A 44 3.050 2.785 8.774 1.00 0.84 C ATOM 685 C GLU A 44 2.684 1.863 9.950 1.00 0.62 C ATOM 686 O GLU A 44 3.484 1.640 10.837 1.00 0.57 O ATOM 687 CB GLU A 44 3.223 4.249 9.281 1.00 1.16 C ATOM 688 CG GLU A 44 2.059 5.127 8.799 1.00 1.30 C ATOM 689 CD GLU A 44 2.039 6.437 9.592 1.00 1.91 C ATOM 690 OE1 GLU A 44 3.019 6.716 10.262 1.00 2.40 O ATOM 691 OE2 GLU A 44 1.043 7.138 9.516 1.00 2.56 O ATOM 0 H GLU A 44 1.026 2.893 8.078 1.00 0.59 H new ATOM 0 HA GLU A 44 3.989 2.447 8.336 1.00 0.84 H new ATOM 0 HB2 GLU A 44 3.268 4.260 10.370 1.00 1.16 H new ATOM 0 HB3 GLU A 44 4.167 4.656 8.919 1.00 1.16 H new ATOM 0 HG2 GLU A 44 2.165 5.336 7.735 1.00 1.30 H new ATOM 0 HG3 GLU A 44 1.114 4.598 8.927 1.00 1.30 H new ATOM 698 N ARG A 45 1.485 1.344 9.984 1.00 0.63 N ATOM 699 CA ARG A 45 1.096 0.462 11.127 1.00 0.55 C ATOM 700 C ARG A 45 1.628 -0.966 10.938 1.00 0.46 C ATOM 701 O ARG A 45 1.863 -1.422 9.836 1.00 0.54 O ATOM 702 CB ARG A 45 -0.433 0.423 11.266 1.00 0.73 C ATOM 703 CG ARG A 45 -0.825 -0.563 12.395 1.00 1.11 C ATOM 704 CD ARG A 45 -2.137 -0.145 13.108 1.00 1.54 C ATOM 705 NE ARG A 45 -1.813 0.137 14.539 1.00 2.36 N ATOM 706 CZ ARG A 45 -2.699 0.674 15.329 1.00 3.01 C ATOM 707 NH1 ARG A 45 -3.897 0.940 14.886 1.00 3.13 N ATOM 708 NH2 ARG A 45 -2.386 0.937 16.568 1.00 4.00 N ATOM 0 H ARG A 45 0.763 1.490 9.278 1.00 0.63 H new ATOM 0 HA ARG A 45 1.538 0.877 12.033 1.00 0.55 H new ATOM 0 HB2 ARG A 45 -0.814 1.419 11.491 1.00 0.73 H new ATOM 0 HB3 ARG A 45 -0.886 0.113 10.324 1.00 0.73 H new ATOM 0 HG2 ARG A 45 -0.943 -1.563 11.977 1.00 1.11 H new ATOM 0 HG3 ARG A 45 -0.018 -0.616 13.125 1.00 1.11 H new ATOM 0 HD2 ARG A 45 -2.565 0.738 12.633 1.00 1.54 H new ATOM 0 HD3 ARG A 45 -2.881 -0.939 13.035 1.00 1.54 H new ATOM 0 HE ARG A 45 -0.888 -0.093 14.901 1.00 2.36 H new ATOM 0 HH11 ARG A 45 -4.142 0.728 13.919 1.00 3.13 H new ATOM 0 HH12 ARG A 45 -4.589 1.360 15.507 1.00 3.13 H new ATOM 0 HH21 ARG A 45 -1.451 0.722 16.914 1.00 4.00 H new ATOM 0 HH22 ARG A 45 -3.076 1.357 17.190 1.00 4.00 H new ATOM 722 N HIS A 46 1.794 -1.671 12.029 1.00 0.48 N ATOM 723 CA HIS A 46 2.289 -3.080 11.986 1.00 0.56 C ATOM 724 C HIS A 46 1.163 -3.985 11.446 1.00 0.47 C ATOM 725 O HIS A 46 0.371 -4.519 12.196 1.00 0.49 O ATOM 726 CB HIS A 46 2.670 -3.493 13.439 1.00 0.77 C ATOM 727 CG HIS A 46 4.081 -4.016 13.511 1.00 1.54 C ATOM 728 ND1 HIS A 46 5.150 -3.353 12.930 1.00 2.49 N ATOM 729 CD2 HIS A 46 4.612 -5.130 14.112 1.00 2.49 C ATOM 730 CE1 HIS A 46 6.260 -4.067 13.194 1.00 3.46 C ATOM 731 NE2 HIS A 46 5.988 -5.161 13.911 1.00 3.50 N ATOM 0 H HIS A 46 1.603 -1.320 12.968 1.00 0.48 H new ATOM 0 HA HIS A 46 3.158 -3.177 11.335 1.00 0.56 H new ATOM 0 HB2 HIS A 46 2.565 -2.634 14.102 1.00 0.77 H new ATOM 0 HB3 HIS A 46 1.979 -4.257 13.795 1.00 0.77 H new ATOM 0 HD2 HIS A 46 4.047 -5.871 14.658 1.00 2.49 H new ATOM 0 HE1 HIS A 46 7.251 -3.789 12.866 1.00 3.46 H new ATOM 0 HE2 HIS A 46 6.647 -5.867 14.240 1.00 3.50 H new ATOM 739 N TRP A 47 1.077 -4.163 10.157 1.00 0.41 N ATOM 740 CA TRP A 47 -0.003 -5.035 9.614 1.00 0.34 C ATOM 741 C TRP A 47 0.290 -5.356 8.138 1.00 0.30 C ATOM 742 O TRP A 47 -0.349 -4.819 7.256 1.00 0.28 O ATOM 743 CB TRP A 47 -1.349 -4.306 9.744 1.00 0.34 C ATOM 744 CG TRP A 47 -2.482 -5.220 9.378 1.00 0.30 C ATOM 745 CD1 TRP A 47 -2.642 -6.498 9.809 1.00 0.32 C ATOM 746 CD2 TRP A 47 -3.627 -4.936 8.522 1.00 0.29 C ATOM 747 NE1 TRP A 47 -3.794 -7.018 9.252 1.00 0.32 N ATOM 748 CE2 TRP A 47 -4.439 -6.099 8.455 1.00 0.31 C ATOM 749 CE3 TRP A 47 -4.034 -3.794 7.794 1.00 0.29 C ATOM 750 CZ2 TRP A 47 -5.615 -6.130 7.694 1.00 0.34 C ATOM 751 CZ3 TRP A 47 -5.220 -3.821 7.029 1.00 0.32 C ATOM 752 CH2 TRP A 47 -6.007 -4.988 6.979 1.00 0.35 C ATOM 0 H TRP A 47 1.699 -3.748 9.463 1.00 0.41 H new ATOM 0 HA TRP A 47 -0.046 -5.969 10.174 1.00 0.34 H new ATOM 0 HB2 TRP A 47 -1.478 -3.949 10.766 1.00 0.34 H new ATOM 0 HB3 TRP A 47 -1.358 -3.429 9.096 1.00 0.34 H new ATOM 0 HD1 TRP A 47 -1.976 -7.023 10.479 1.00 0.32 H new ATOM 0 HE1 TRP A 47 -4.127 -7.969 9.412 1.00 0.32 H new ATOM 0 HE3 TRP A 47 -3.434 -2.896 7.823 1.00 0.29 H new ATOM 0 HZ2 TRP A 47 -6.216 -7.027 7.658 1.00 0.34 H new ATOM 0 HZ3 TRP A 47 -5.525 -2.943 6.480 1.00 0.32 H new ATOM 0 HH2 TRP A 47 -6.912 -5.004 6.390 1.00 0.35 H new ATOM 763 N PRO A 48 1.273 -6.207 7.908 1.00 0.31 N ATOM 764 CA PRO A 48 1.670 -6.591 6.535 1.00 0.31 C ATOM 765 C PRO A 48 0.477 -7.172 5.747 1.00 0.27 C ATOM 766 O PRO A 48 0.494 -7.226 4.530 1.00 0.29 O ATOM 767 CB PRO A 48 2.793 -7.639 6.731 1.00 0.36 C ATOM 768 CG PRO A 48 3.178 -7.624 8.237 1.00 0.38 C ATOM 769 CD PRO A 48 2.079 -6.839 8.982 1.00 0.35 C ATOM 0 HA PRO A 48 2.010 -5.737 5.950 1.00 0.31 H new ATOM 0 HB2 PRO A 48 2.451 -8.630 6.431 1.00 0.36 H new ATOM 0 HB3 PRO A 48 3.656 -7.398 6.111 1.00 0.36 H new ATOM 0 HG2 PRO A 48 3.255 -8.640 8.624 1.00 0.38 H new ATOM 0 HG3 PRO A 48 4.151 -7.154 8.381 1.00 0.38 H new ATOM 0 HD2 PRO A 48 1.469 -7.500 9.598 1.00 0.35 H new ATOM 0 HD3 PRO A 48 2.509 -6.090 9.647 1.00 0.35 H new ATOM 777 N LYS A 49 -0.555 -7.605 6.419 1.00 0.25 N ATOM 778 CA LYS A 49 -1.724 -8.181 5.689 1.00 0.25 C ATOM 779 C LYS A 49 -2.503 -7.063 4.980 1.00 0.23 C ATOM 780 O LYS A 49 -3.205 -7.302 4.016 1.00 0.24 O ATOM 781 CB LYS A 49 -2.642 -8.908 6.683 1.00 0.28 C ATOM 782 CG LYS A 49 -3.649 -9.800 5.928 1.00 0.43 C ATOM 783 CD LYS A 49 -3.047 -11.189 5.681 1.00 1.09 C ATOM 784 CE LYS A 49 -4.025 -12.033 4.860 1.00 1.33 C ATOM 785 NZ LYS A 49 -5.412 -11.821 5.365 1.00 2.24 N ATOM 0 H LYS A 49 -0.641 -7.586 7.435 1.00 0.25 H new ATOM 0 HA LYS A 49 -1.367 -8.890 4.942 1.00 0.25 H new ATOM 0 HB2 LYS A 49 -2.045 -9.516 7.362 1.00 0.28 H new ATOM 0 HB3 LYS A 49 -3.177 -8.181 7.294 1.00 0.28 H new ATOM 0 HG2 LYS A 49 -4.569 -9.892 6.506 1.00 0.43 H new ATOM 0 HG3 LYS A 49 -3.915 -9.337 4.978 1.00 0.43 H new ATOM 0 HD2 LYS A 49 -2.098 -11.097 5.153 1.00 1.09 H new ATOM 0 HD3 LYS A 49 -2.836 -11.680 6.631 1.00 1.09 H new ATOM 0 HE2 LYS A 49 -3.964 -11.758 3.807 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -3.759 -13.088 4.930 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -6.000 -12.643 5.121 1.00 2.24 H new ATOM 0 HZ2 LYS A 49 -5.391 -11.705 6.398 1.00 2.24 H new ATOM 0 HZ3 LYS A 49 -5.814 -10.967 4.929 1.00 2.24 H new ATOM 799 N GLY A 50 -2.376 -5.844 5.433 1.00 0.22 N ATOM 800 CA GLY A 50 -3.105 -4.723 4.766 1.00 0.23 C ATOM 801 C GLY A 50 -2.461 -4.436 3.409 1.00 0.21 C ATOM 802 O GLY A 50 -3.125 -4.056 2.462 1.00 0.21 O ATOM 0 H GLY A 50 -1.802 -5.576 6.232 1.00 0.22 H new ATOM 0 HA2 GLY A 50 -4.155 -4.984 4.635 1.00 0.23 H new ATOM 0 HA3 GLY A 50 -3.074 -3.831 5.392 1.00 0.23 H new ATOM 806 N GLU A 51 -1.173 -4.613 3.301 1.00 0.21 N ATOM 807 CA GLU A 51 -0.504 -4.353 2.001 1.00 0.22 C ATOM 808 C GLU A 51 -0.913 -5.450 1.020 1.00 0.19 C ATOM 809 O GLU A 51 -1.002 -5.231 -0.172 1.00 0.19 O ATOM 810 CB GLU A 51 1.018 -4.343 2.198 1.00 0.25 C ATOM 811 CG GLU A 51 1.372 -3.613 3.518 1.00 0.29 C ATOM 812 CD GLU A 51 2.638 -2.766 3.344 1.00 1.11 C ATOM 813 OE1 GLU A 51 3.430 -3.090 2.475 1.00 2.05 O ATOM 814 OE2 GLU A 51 2.787 -1.804 4.081 1.00 1.66 O ATOM 0 H GLU A 51 -0.560 -4.925 4.054 1.00 0.21 H new ATOM 0 HA GLU A 51 -0.803 -3.382 1.605 1.00 0.22 H new ATOM 0 HB2 GLU A 51 1.397 -5.365 2.224 1.00 0.25 H new ATOM 0 HB3 GLU A 51 1.500 -3.845 1.356 1.00 0.25 H new ATOM 0 HG2 GLU A 51 0.541 -2.976 3.822 1.00 0.29 H new ATOM 0 HG3 GLU A 51 1.522 -4.342 4.314 1.00 0.29 H new ATOM 821 N GLN A 52 -1.193 -6.627 1.517 1.00 0.21 N ATOM 822 CA GLN A 52 -1.628 -7.723 0.608 1.00 0.22 C ATOM 823 C GLN A 52 -2.898 -7.267 -0.108 1.00 0.21 C ATOM 824 O GLN A 52 -3.033 -7.411 -1.303 1.00 0.21 O ATOM 825 CB GLN A 52 -1.933 -8.987 1.424 1.00 0.28 C ATOM 826 CG GLN A 52 -0.621 -9.631 1.946 1.00 0.61 C ATOM 827 CD GLN A 52 -0.250 -10.859 1.104 1.00 1.34 C ATOM 828 OE1 GLN A 52 -0.385 -10.850 -0.103 1.00 2.02 O ATOM 829 NE2 GLN A 52 0.214 -11.922 1.702 1.00 2.14 N ATOM 0 H GLN A 52 -1.139 -6.873 2.505 1.00 0.21 H new ATOM 0 HA GLN A 52 -0.840 -7.949 -0.111 1.00 0.22 H new ATOM 0 HB2 GLN A 52 -2.581 -8.736 2.264 1.00 0.28 H new ATOM 0 HB3 GLN A 52 -2.475 -9.703 0.806 1.00 0.28 H new ATOM 0 HG2 GLN A 52 0.188 -8.901 1.911 1.00 0.61 H new ATOM 0 HG3 GLN A 52 -0.742 -9.922 2.989 1.00 0.61 H new ATOM 0 HE21 GLN A 52 0.327 -11.928 2.716 1.00 2.14 H new ATOM 0 HE22 GLN A 52 0.464 -12.746 1.156 1.00 2.14 H new ATOM 838 N ILE A 53 -3.822 -6.695 0.618 1.00 0.21 N ATOM 839 CA ILE A 53 -5.082 -6.213 -0.018 1.00 0.23 C ATOM 840 C ILE A 53 -4.730 -5.304 -1.200 1.00 0.21 C ATOM 841 O ILE A 53 -5.253 -5.446 -2.291 1.00 0.23 O ATOM 842 CB ILE A 53 -5.889 -5.413 1.016 1.00 0.26 C ATOM 843 CG1 ILE A 53 -6.295 -6.339 2.175 1.00 0.30 C ATOM 844 CG2 ILE A 53 -7.144 -4.829 0.361 1.00 0.30 C ATOM 845 CD1 ILE A 53 -6.940 -5.528 3.324 1.00 0.31 C ATOM 0 H ILE A 53 -3.758 -6.541 1.624 1.00 0.21 H new ATOM 0 HA ILE A 53 -5.671 -7.060 -0.369 1.00 0.23 H new ATOM 0 HB ILE A 53 -5.275 -4.597 1.398 1.00 0.26 H new ATOM 0 HG12 ILE A 53 -6.997 -7.092 1.816 1.00 0.30 H new ATOM 0 HG13 ILE A 53 -5.419 -6.871 2.546 1.00 0.30 H new ATOM 0 HG21 ILE A 53 -7.711 -4.263 1.101 1.00 0.30 H new ATOM 0 HG22 ILE A 53 -6.854 -4.169 -0.457 1.00 0.30 H new ATOM 0 HG23 ILE A 53 -7.762 -5.639 -0.028 1.00 0.30 H new ATOM 0 HD11 ILE A 53 -7.220 -6.203 4.133 1.00 0.31 H new ATOM 0 HD12 ILE A 53 -6.227 -4.792 3.695 1.00 0.31 H new ATOM 0 HD13 ILE A 53 -7.829 -5.017 2.954 1.00 0.31 H new ATOM 857 N ILE A 54 -3.848 -4.367 -0.988 1.00 0.18 N ATOM 858 CA ILE A 54 -3.461 -3.431 -2.085 1.00 0.18 C ATOM 859 C ILE A 54 -2.714 -4.170 -3.200 1.00 0.18 C ATOM 860 O ILE A 54 -3.087 -4.107 -4.354 1.00 0.20 O ATOM 861 CB ILE A 54 -2.558 -2.342 -1.506 1.00 0.21 C ATOM 862 CG1 ILE A 54 -3.377 -1.510 -0.517 1.00 0.24 C ATOM 863 CG2 ILE A 54 -2.044 -1.448 -2.635 1.00 0.26 C ATOM 864 CD1 ILE A 54 -2.477 -0.497 0.221 1.00 0.31 C ATOM 0 H ILE A 54 -3.375 -4.207 -0.098 1.00 0.18 H new ATOM 0 HA ILE A 54 -4.364 -2.993 -2.510 1.00 0.18 H new ATOM 0 HB ILE A 54 -1.705 -2.791 -0.998 1.00 0.21 H new ATOM 0 HG12 ILE A 54 -4.169 -0.981 -1.048 1.00 0.24 H new ATOM 0 HG13 ILE A 54 -3.861 -2.167 0.205 1.00 0.24 H new ATOM 0 HG21 ILE A 54 -1.400 -0.672 -2.220 1.00 0.26 H new ATOM 0 HG22 ILE A 54 -1.476 -2.049 -3.345 1.00 0.26 H new ATOM 0 HG23 ILE A 54 -2.888 -0.985 -3.145 1.00 0.26 H new ATOM 0 HD11 ILE A 54 -3.080 0.084 0.919 1.00 0.31 H new ATOM 0 HD12 ILE A 54 -1.701 -1.031 0.769 1.00 0.31 H new ATOM 0 HD13 ILE A 54 -2.014 0.173 -0.503 1.00 0.31 H new ATOM 876 N ALA A 55 -1.652 -4.850 -2.873 1.00 0.18 N ATOM 877 CA ALA A 55 -0.877 -5.565 -3.926 1.00 0.21 C ATOM 878 C ALA A 55 -1.791 -6.561 -4.648 1.00 0.22 C ATOM 879 O ALA A 55 -1.646 -6.805 -5.829 1.00 0.25 O ATOM 880 CB ALA A 55 0.303 -6.302 -3.267 1.00 0.26 C ATOM 0 H ALA A 55 -1.287 -4.942 -1.925 1.00 0.18 H new ATOM 0 HA ALA A 55 -0.492 -4.852 -4.655 1.00 0.21 H new ATOM 0 HB1 ALA A 55 0.876 -6.828 -4.031 1.00 0.26 H new ATOM 0 HB2 ALA A 55 0.947 -5.581 -2.763 1.00 0.26 H new ATOM 0 HB3 ALA A 55 -0.077 -7.020 -2.540 1.00 0.26 H new ATOM 886 N ASN A 56 -2.732 -7.132 -3.953 1.00 0.25 N ATOM 887 CA ASN A 56 -3.650 -8.105 -4.609 1.00 0.31 C ATOM 888 C ASN A 56 -4.343 -7.424 -5.789 1.00 0.29 C ATOM 889 O ASN A 56 -4.574 -8.025 -6.819 1.00 0.32 O ATOM 890 CB ASN A 56 -4.701 -8.592 -3.609 1.00 0.36 C ATOM 891 CG ASN A 56 -5.411 -9.823 -4.175 1.00 1.10 C ATOM 892 OD1 ASN A 56 -5.084 -10.287 -5.249 1.00 1.92 O ATOM 893 ND2 ASN A 56 -6.374 -10.376 -3.491 1.00 1.73 N ATOM 0 H ASN A 56 -2.906 -6.969 -2.961 1.00 0.25 H new ATOM 0 HA ASN A 56 -3.075 -8.961 -4.962 1.00 0.31 H new ATOM 0 HB2 ASN A 56 -4.228 -8.837 -2.658 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -5.424 -7.801 -3.411 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -6.853 -11.198 -3.858 1.00 1.73 H new ATOM 0 HD22 ASN A 56 -6.648 -9.986 -2.589 1.00 1.73 H new ATOM 900 N ALA A 57 -4.688 -6.173 -5.642 1.00 0.31 N ATOM 901 CA ALA A 57 -5.375 -5.456 -6.753 1.00 0.35 C ATOM 902 C ALA A 57 -4.470 -5.427 -7.990 1.00 0.28 C ATOM 903 O ALA A 57 -4.933 -5.514 -9.110 1.00 0.28 O ATOM 904 CB ALA A 57 -5.706 -4.025 -6.312 1.00 0.46 C ATOM 0 H ALA A 57 -4.524 -5.618 -4.802 1.00 0.31 H new ATOM 0 HA ALA A 57 -6.299 -5.977 -7.003 1.00 0.35 H new ATOM 0 HB1 ALA A 57 -6.208 -3.501 -7.125 1.00 0.46 H new ATOM 0 HB2 ALA A 57 -6.360 -4.055 -5.440 1.00 0.46 H new ATOM 0 HB3 ALA A 57 -4.785 -3.501 -6.057 1.00 0.46 H new ATOM 910 N LEU A 58 -3.183 -5.312 -7.798 1.00 0.28 N ATOM 911 CA LEU A 58 -2.249 -5.283 -8.960 1.00 0.27 C ATOM 912 C LEU A 58 -1.827 -6.715 -9.293 1.00 0.23 C ATOM 913 O LEU A 58 -0.943 -6.941 -10.094 1.00 0.27 O ATOM 914 CB LEU A 58 -1.001 -4.481 -8.584 1.00 0.34 C ATOM 915 CG LEU A 58 -1.334 -2.988 -8.472 1.00 0.30 C ATOM 916 CD1 LEU A 58 -0.123 -2.266 -7.859 1.00 0.41 C ATOM 917 CD2 LEU A 58 -1.673 -2.393 -9.871 1.00 0.41 C ATOM 0 H LEU A 58 -2.737 -5.237 -6.884 1.00 0.28 H new ATOM 0 HA LEU A 58 -2.743 -4.825 -9.817 1.00 0.27 H new ATOM 0 HB2 LEU A 58 -0.601 -4.842 -7.636 1.00 0.34 H new ATOM 0 HB3 LEU A 58 -0.225 -4.631 -9.335 1.00 0.34 H new ATOM 0 HG LEU A 58 -2.209 -2.853 -7.836 1.00 0.30 H new ATOM 0 HD11 LEU A 58 -0.340 -1.202 -7.771 1.00 0.41 H new ATOM 0 HD12 LEU A 58 0.084 -2.677 -6.871 1.00 0.41 H new ATOM 0 HD13 LEU A 58 0.747 -2.407 -8.500 1.00 0.41 H new ATOM 0 HD21 LEU A 58 -1.906 -1.333 -9.769 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -0.817 -2.514 -10.535 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -2.533 -2.915 -10.290 1.00 0.41 H new ATOM 929 N GLU A 59 -2.444 -7.683 -8.669 1.00 0.23 N ATOM 930 CA GLU A 59 -2.069 -9.103 -8.931 1.00 0.28 C ATOM 931 C GLU A 59 -0.560 -9.263 -8.725 1.00 0.27 C ATOM 932 O GLU A 59 0.041 -10.202 -9.209 1.00 0.31 O ATOM 933 CB GLU A 59 -2.437 -9.492 -10.378 1.00 0.34 C ATOM 934 CG GLU A 59 -3.909 -9.927 -10.468 1.00 1.07 C ATOM 935 CD GLU A 59 -4.142 -10.671 -11.786 1.00 1.58 C ATOM 936 OE1 GLU A 59 -4.257 -10.011 -12.806 1.00 2.31 O ATOM 937 OE2 GLU A 59 -4.199 -11.890 -11.753 1.00 2.10 O ATOM 0 H GLU A 59 -3.192 -7.551 -7.988 1.00 0.23 H new ATOM 0 HA GLU A 59 -2.611 -9.754 -8.245 1.00 0.28 H new ATOM 0 HB2 GLU A 59 -2.262 -8.646 -11.043 1.00 0.34 H new ATOM 0 HB3 GLU A 59 -1.792 -10.303 -10.717 1.00 0.34 H new ATOM 0 HG2 GLU A 59 -4.161 -10.571 -9.625 1.00 1.07 H new ATOM 0 HG3 GLU A 59 -4.561 -9.055 -10.410 1.00 1.07 H new ATOM 944 N THR A 60 0.055 -8.355 -8.003 1.00 0.25 N ATOM 945 CA THR A 60 1.531 -8.448 -7.755 1.00 0.27 C ATOM 946 C THR A 60 1.784 -8.776 -6.280 1.00 0.26 C ATOM 947 O THR A 60 0.876 -9.104 -5.541 1.00 0.28 O ATOM 948 CB THR A 60 2.203 -7.113 -8.124 1.00 0.28 C ATOM 949 OG1 THR A 60 3.599 -7.323 -8.282 1.00 0.33 O ATOM 950 CG2 THR A 60 1.970 -6.063 -7.028 1.00 0.28 C ATOM 0 H THR A 60 -0.403 -7.551 -7.574 1.00 0.25 H new ATOM 0 HA THR A 60 1.955 -9.240 -8.373 1.00 0.27 H new ATOM 0 HB THR A 60 1.767 -6.747 -9.054 1.00 0.28 H new ATOM 0 HG1 THR A 60 4.008 -6.522 -8.671 1.00 0.33 H new ATOM 0 HG21 THR A 60 2.454 -5.128 -7.311 1.00 0.28 H new ATOM 0 HG22 THR A 60 0.900 -5.895 -6.906 1.00 0.28 H new ATOM 0 HG23 THR A 60 2.391 -6.419 -6.088 1.00 0.28 H new ATOM 958 N LYS A 61 3.018 -8.690 -5.854 1.00 0.26 N ATOM 959 CA LYS A 61 3.362 -8.995 -4.430 1.00 0.26 C ATOM 960 C LYS A 61 3.680 -7.667 -3.707 1.00 0.23 C ATOM 961 O LYS A 61 4.184 -6.757 -4.334 1.00 0.22 O ATOM 962 CB LYS A 61 4.612 -9.890 -4.405 1.00 0.31 C ATOM 963 CG LYS A 61 4.407 -11.154 -5.281 1.00 0.36 C ATOM 964 CD LYS A 61 5.763 -11.627 -5.883 1.00 0.97 C ATOM 965 CE LYS A 61 6.003 -11.059 -7.310 1.00 0.96 C ATOM 966 NZ LYS A 61 6.299 -12.191 -8.236 1.00 1.83 N ATOM 0 H LYS A 61 3.810 -8.419 -6.436 1.00 0.26 H new ATOM 0 HA LYS A 61 2.532 -9.502 -3.938 1.00 0.26 H new ATOM 0 HB2 LYS A 61 5.473 -9.328 -4.766 1.00 0.31 H new ATOM 0 HB3 LYS A 61 4.832 -10.186 -3.379 1.00 0.31 H new ATOM 0 HG2 LYS A 61 3.971 -11.953 -4.681 1.00 0.36 H new ATOM 0 HG3 LYS A 61 3.702 -10.937 -6.084 1.00 0.36 H new ATOM 0 HD2 LYS A 61 6.577 -11.316 -5.228 1.00 0.97 H new ATOM 0 HD3 LYS A 61 5.782 -12.716 -5.920 1.00 0.97 H new ATOM 0 HE2 LYS A 61 5.124 -10.513 -7.651 1.00 0.96 H new ATOM 0 HE3 LYS A 61 6.833 -10.353 -7.300 1.00 0.96 H new ATOM 0 HZ1 LYS A 61 6.461 -11.822 -9.195 1.00 1.83 H new ATOM 0 HZ2 LYS A 61 7.149 -12.693 -7.910 1.00 1.83 H new ATOM 0 HZ3 LYS A 61 5.493 -12.848 -8.250 1.00 1.83 H new ATOM 980 N PRO A 62 3.404 -7.570 -2.415 1.00 0.23 N ATOM 981 CA PRO A 62 3.701 -6.328 -1.667 1.00 0.23 C ATOM 982 C PRO A 62 5.209 -6.028 -1.734 1.00 0.22 C ATOM 983 O PRO A 62 5.633 -4.895 -1.626 1.00 0.22 O ATOM 984 CB PRO A 62 3.238 -6.614 -0.215 1.00 0.27 C ATOM 985 CG PRO A 62 2.782 -8.101 -0.158 1.00 0.29 C ATOM 986 CD PRO A 62 2.789 -8.646 -1.603 1.00 0.27 C ATOM 0 HA PRO A 62 3.194 -5.454 -2.076 1.00 0.23 H new ATOM 0 HB2 PRO A 62 4.050 -6.434 0.490 1.00 0.27 H new ATOM 0 HB3 PRO A 62 2.420 -5.950 0.065 1.00 0.27 H new ATOM 0 HG2 PRO A 62 3.452 -8.683 0.474 1.00 0.29 H new ATOM 0 HG3 PRO A 62 1.785 -8.180 0.276 1.00 0.29 H new ATOM 0 HD2 PRO A 62 3.362 -9.570 -1.673 1.00 0.27 H new ATOM 0 HD3 PRO A 62 1.779 -8.870 -1.945 1.00 0.27 H new ATOM 994 N GLU A 63 6.016 -7.040 -1.907 1.00 0.27 N ATOM 995 CA GLU A 63 7.495 -6.823 -1.978 1.00 0.29 C ATOM 996 C GLU A 63 7.836 -5.902 -3.160 1.00 0.27 C ATOM 997 O GLU A 63 8.957 -5.459 -3.304 1.00 0.29 O ATOM 998 CB GLU A 63 8.219 -8.174 -2.157 1.00 0.37 C ATOM 999 CG GLU A 63 7.418 -9.295 -1.493 1.00 1.08 C ATOM 1000 CD GLU A 63 8.232 -10.589 -1.534 1.00 1.69 C ATOM 1001 OE1 GLU A 63 8.293 -11.192 -2.593 1.00 2.30 O ATOM 1002 OE2 GLU A 63 8.779 -10.955 -0.508 1.00 2.29 O ATOM 0 H GLU A 63 5.717 -8.010 -2.003 1.00 0.27 H new ATOM 0 HA GLU A 63 7.824 -6.356 -1.050 1.00 0.29 H new ATOM 0 HB2 GLU A 63 8.347 -8.388 -3.218 1.00 0.37 H new ATOM 0 HB3 GLU A 63 9.216 -8.121 -1.720 1.00 0.37 H new ATOM 0 HG2 GLU A 63 7.186 -9.030 -0.461 1.00 1.08 H new ATOM 0 HG3 GLU A 63 6.467 -9.433 -2.008 1.00 1.08 H new ATOM 1009 N VAL A 64 6.889 -5.631 -4.019 1.00 0.27 N ATOM 1010 CA VAL A 64 7.175 -4.765 -5.206 1.00 0.27 C ATOM 1011 C VAL A 64 6.904 -3.299 -4.864 1.00 0.26 C ATOM 1012 O VAL A 64 7.536 -2.403 -5.388 1.00 0.29 O ATOM 1013 CB VAL A 64 6.266 -5.186 -6.364 1.00 0.28 C ATOM 1014 CG1 VAL A 64 6.566 -4.324 -7.596 1.00 0.34 C ATOM 1015 CG2 VAL A 64 6.515 -6.660 -6.697 1.00 0.28 C ATOM 0 H VAL A 64 5.930 -5.971 -3.952 1.00 0.27 H new ATOM 0 HA VAL A 64 8.221 -4.879 -5.489 1.00 0.27 H new ATOM 0 HB VAL A 64 5.224 -5.049 -6.074 1.00 0.28 H new ATOM 0 HG11 VAL A 64 5.917 -4.626 -8.418 1.00 0.34 H new ATOM 0 HG12 VAL A 64 6.387 -3.275 -7.359 1.00 0.34 H new ATOM 0 HG13 VAL A 64 7.608 -4.457 -7.888 1.00 0.34 H new ATOM 0 HG21 VAL A 64 5.868 -6.961 -7.521 1.00 0.28 H new ATOM 0 HG22 VAL A 64 7.557 -6.797 -6.985 1.00 0.28 H new ATOM 0 HG23 VAL A 64 6.297 -7.273 -5.822 1.00 0.28 H new ATOM 1025 N ILE A 65 5.971 -3.045 -3.991 1.00 0.23 N ATOM 1026 CA ILE A 65 5.650 -1.636 -3.616 1.00 0.25 C ATOM 1027 C ILE A 65 6.523 -1.211 -2.422 1.00 0.27 C ATOM 1028 O ILE A 65 6.797 -0.043 -2.234 1.00 0.32 O ATOM 1029 CB ILE A 65 4.157 -1.562 -3.265 1.00 0.25 C ATOM 1030 CG1 ILE A 65 3.306 -1.938 -4.514 1.00 0.28 C ATOM 1031 CG2 ILE A 65 3.802 -0.148 -2.793 1.00 0.30 C ATOM 1032 CD1 ILE A 65 2.102 -2.798 -4.096 1.00 0.76 C ATOM 0 H ILE A 65 5.413 -3.755 -3.517 1.00 0.23 H new ATOM 0 HA ILE A 65 5.858 -0.956 -4.442 1.00 0.25 H new ATOM 0 HB ILE A 65 3.941 -2.266 -2.461 1.00 0.25 H new ATOM 0 HG12 ILE A 65 2.960 -1.033 -5.013 1.00 0.28 H new ATOM 0 HG13 ILE A 65 3.920 -2.483 -5.231 1.00 0.28 H new ATOM 0 HG21 ILE A 65 2.741 -0.103 -2.546 1.00 0.30 H new ATOM 0 HG22 ILE A 65 4.391 0.100 -1.910 1.00 0.30 H new ATOM 0 HG23 ILE A 65 4.020 0.566 -3.587 1.00 0.30 H new ATOM 0 HD11 ILE A 65 1.515 -3.055 -4.978 1.00 0.76 H new ATOM 0 HD12 ILE A 65 2.456 -3.711 -3.617 1.00 0.76 H new ATOM 0 HD13 ILE A 65 1.481 -2.239 -3.396 1.00 0.76 H new ATOM 1044 N TRP A 66 6.995 -2.157 -1.636 1.00 0.28 N ATOM 1045 CA TRP A 66 7.887 -1.822 -0.465 1.00 0.33 C ATOM 1046 C TRP A 66 9.112 -2.765 -0.470 1.00 0.37 C ATOM 1047 O TRP A 66 9.211 -3.629 0.374 1.00 0.42 O ATOM 1048 CB TRP A 66 7.106 -2.020 0.846 1.00 0.36 C ATOM 1049 CG TRP A 66 6.012 -1.004 0.938 1.00 0.37 C ATOM 1050 CD1 TRP A 66 6.158 0.254 1.413 1.00 0.43 C ATOM 1051 CD2 TRP A 66 4.613 -1.138 0.559 1.00 0.35 C ATOM 1052 NE1 TRP A 66 4.945 0.914 1.324 1.00 0.45 N ATOM 1053 CE2 TRP A 66 3.959 0.101 0.805 1.00 0.40 C ATOM 1054 CE3 TRP A 66 3.853 -2.200 0.020 1.00 0.32 C ATOM 1055 CZ2 TRP A 66 2.597 0.281 0.523 1.00 0.42 C ATOM 1056 CZ3 TRP A 66 2.480 -2.024 -0.266 1.00 0.35 C ATOM 1057 CH2 TRP A 66 1.855 -0.785 -0.016 1.00 0.39 C ATOM 0 H TRP A 66 6.801 -3.151 -1.754 1.00 0.28 H new ATOM 0 HA TRP A 66 8.217 -0.786 -0.544 1.00 0.33 H new ATOM 0 HB2 TRP A 66 6.686 -3.025 0.882 1.00 0.36 H new ATOM 0 HB3 TRP A 66 7.778 -1.924 1.699 1.00 0.36 H new ATOM 0 HD1 TRP A 66 7.074 0.676 1.800 1.00 0.43 H new ATOM 0 HE1 TRP A 66 4.798 1.883 1.607 1.00 0.45 H new ATOM 0 HE3 TRP A 66 4.324 -3.152 -0.175 1.00 0.32 H new ATOM 0 HZ2 TRP A 66 2.122 1.231 0.718 1.00 0.42 H new ATOM 0 HZ3 TRP A 66 1.907 -2.842 -0.678 1.00 0.35 H new ATOM 0 HH2 TRP A 66 0.806 -0.655 -0.239 1.00 0.39 H new ATOM 1068 N PRO A 67 10.003 -2.591 -1.430 1.00 0.41 N ATOM 1069 CA PRO A 67 11.203 -3.456 -1.556 1.00 0.49 C ATOM 1070 C PRO A 67 12.246 -3.186 -0.451 1.00 0.59 C ATOM 1071 O PRO A 67 12.899 -4.098 0.019 1.00 0.68 O ATOM 1072 CB PRO A 67 11.787 -3.100 -2.946 1.00 0.52 C ATOM 1073 CG PRO A 67 11.069 -1.809 -3.431 1.00 0.49 C ATOM 1074 CD PRO A 67 9.893 -1.541 -2.465 1.00 0.42 C ATOM 0 HA PRO A 67 10.942 -4.509 -1.453 1.00 0.49 H new ATOM 0 HB2 PRO A 67 12.863 -2.940 -2.881 1.00 0.52 H new ATOM 0 HB3 PRO A 67 11.628 -3.916 -3.651 1.00 0.52 H new ATOM 0 HG2 PRO A 67 11.760 -0.966 -3.438 1.00 0.49 H new ATOM 0 HG3 PRO A 67 10.706 -1.932 -4.452 1.00 0.49 H new ATOM 0 HD2 PRO A 67 9.961 -0.545 -2.026 1.00 0.42 H new ATOM 0 HD3 PRO A 67 8.936 -1.596 -2.983 1.00 0.42 H new ATOM 1082 N SER A 68 12.454 -1.954 -0.066 1.00 0.77 N ATOM 1083 CA SER A 68 13.505 -1.676 0.965 1.00 0.92 C ATOM 1084 C SER A 68 13.061 -2.147 2.344 1.00 0.78 C ATOM 1085 O SER A 68 13.833 -2.131 3.283 1.00 1.03 O ATOM 1086 CB SER A 68 13.789 -0.186 1.025 1.00 1.42 C ATOM 1087 OG SER A 68 14.585 0.093 2.170 1.00 2.03 O ATOM 0 H SER A 68 11.951 -1.137 -0.413 1.00 0.77 H new ATOM 0 HA SER A 68 14.405 -2.220 0.678 1.00 0.92 H new ATOM 0 HB2 SER A 68 14.307 0.134 0.121 1.00 1.42 H new ATOM 0 HB3 SER A 68 12.854 0.373 1.072 1.00 1.42 H new ATOM 0 HG SER A 68 14.806 -0.745 2.627 1.00 2.03 H new ATOM 1093 N ARG A 69 11.845 -2.596 2.480 1.00 0.83 N ATOM 1094 CA ARG A 69 11.381 -3.100 3.806 1.00 1.12 C ATOM 1095 C ARG A 69 11.523 -4.617 3.785 1.00 1.05 C ATOM 1096 O ARG A 69 11.680 -5.259 4.803 1.00 1.32 O ATOM 1097 CB ARG A 69 9.918 -2.703 4.036 1.00 1.55 C ATOM 1098 CG ARG A 69 9.857 -1.256 4.564 1.00 1.92 C ATOM 1099 CD ARG A 69 10.308 -1.206 6.043 1.00 2.45 C ATOM 1100 NE ARG A 69 9.147 -0.741 6.875 1.00 2.62 N ATOM 1101 CZ ARG A 69 8.833 0.514 6.980 1.00 2.97 C ATOM 1102 NH1 ARG A 69 9.626 1.430 6.493 1.00 3.28 N ATOM 1103 NH2 ARG A 69 7.746 0.863 7.612 1.00 3.61 N ATOM 0 H ARG A 69 11.152 -2.637 1.733 1.00 0.83 H new ATOM 0 HA ARG A 69 11.973 -2.671 4.615 1.00 1.12 H new ATOM 0 HB2 ARG A 69 9.357 -2.786 3.105 1.00 1.55 H new ATOM 0 HB3 ARG A 69 9.453 -3.382 4.751 1.00 1.55 H new ATOM 0 HG2 ARG A 69 10.497 -0.614 3.959 1.00 1.92 H new ATOM 0 HG3 ARG A 69 8.841 -0.871 4.473 1.00 1.92 H new ATOM 0 HD2 ARG A 69 10.641 -2.191 6.372 1.00 2.45 H new ATOM 0 HD3 ARG A 69 11.154 -0.528 6.159 1.00 2.45 H new ATOM 0 HE ARG A 69 8.588 -1.433 7.373 1.00 2.62 H new ATOM 0 HH11 ARG A 69 10.493 1.160 6.029 1.00 3.28 H new ATOM 0 HH12 ARG A 69 9.378 2.416 6.576 1.00 3.28 H new ATOM 0 HH21 ARG A 69 7.144 0.150 8.023 1.00 3.61 H new ATOM 0 HH22 ARG A 69 7.499 1.849 7.695 1.00 3.61 H new ATOM 1117 N TYR A 70 11.518 -5.178 2.604 1.00 0.87 N ATOM 1118 CA TYR A 70 11.703 -6.652 2.441 1.00 1.05 C ATOM 1119 C TYR A 70 13.086 -6.851 1.815 1.00 1.29 C ATOM 1120 O TYR A 70 13.374 -6.321 0.760 1.00 1.55 O ATOM 1121 CB TYR A 70 10.624 -7.204 1.500 1.00 0.98 C ATOM 1122 CG TYR A 70 9.307 -7.277 2.236 1.00 0.99 C ATOM 1123 CD1 TYR A 70 9.120 -8.226 3.262 1.00 1.69 C ATOM 1124 CD2 TYR A 70 8.273 -6.389 1.906 1.00 0.80 C ATOM 1125 CE1 TYR A 70 7.892 -8.281 3.952 1.00 1.85 C ATOM 1126 CE2 TYR A 70 7.046 -6.440 2.595 1.00 0.86 C ATOM 1127 CZ TYR A 70 6.856 -7.388 3.619 1.00 1.29 C ATOM 1128 OH TYR A 70 5.654 -7.439 4.297 1.00 1.53 O ATOM 0 H TYR A 70 11.391 -4.668 1.730 1.00 0.87 H new ATOM 0 HA TYR A 70 11.623 -7.171 3.396 1.00 1.05 H new ATOM 0 HB2 TYR A 70 10.528 -6.564 0.623 1.00 0.98 H new ATOM 0 HB3 TYR A 70 10.909 -8.194 1.143 1.00 0.98 H new ATOM 0 HD1 TYR A 70 9.916 -8.909 3.519 1.00 1.69 H new ATOM 0 HD2 TYR A 70 8.418 -5.663 1.120 1.00 0.80 H new ATOM 0 HE1 TYR A 70 7.746 -9.009 4.737 1.00 1.85 H new ATOM 0 HE2 TYR A 70 6.252 -5.754 2.339 1.00 0.86 H new ATOM 0 HH TYR A 70 5.050 -6.753 3.943 1.00 1.53 H new ATOM 1138 N GLN A 71 13.961 -7.568 2.465 1.00 1.64 N ATOM 1139 CA GLN A 71 15.338 -7.747 1.908 1.00 1.94 C ATOM 1140 C GLN A 71 15.916 -9.089 2.378 1.00 2.63 C ATOM 1141 O GLN A 71 17.040 -9.434 2.070 1.00 3.27 O ATOM 1142 CB GLN A 71 16.205 -6.575 2.412 1.00 2.09 C ATOM 1143 CG GLN A 71 17.701 -6.891 2.292 1.00 2.49 C ATOM 1144 CD GLN A 71 18.509 -5.602 2.469 1.00 2.85 C ATOM 1145 OE1 GLN A 71 18.113 -4.552 2.003 1.00 3.10 O ATOM 1146 NE2 GLN A 71 19.632 -5.639 3.134 1.00 3.50 N ATOM 0 H GLN A 71 13.786 -8.037 3.354 1.00 1.64 H new ATOM 0 HA GLN A 71 15.318 -7.753 0.818 1.00 1.94 H new ATOM 0 HB2 GLN A 71 15.974 -5.677 1.838 1.00 2.09 H new ATOM 0 HB3 GLN A 71 15.960 -6.360 3.452 1.00 2.09 H new ATOM 0 HG2 GLN A 71 17.991 -7.622 3.047 1.00 2.49 H new ATOM 0 HG3 GLN A 71 17.913 -7.336 1.320 1.00 2.49 H new ATOM 0 HE21 GLN A 71 19.964 -6.520 3.525 1.00 3.50 H new ATOM 0 HE22 GLN A 71 20.177 -4.786 3.262 1.00 3.50 H new ATOM 1155 N ALA A 72 15.156 -9.857 3.107 1.00 2.93 N ATOM 1156 CA ALA A 72 15.669 -11.169 3.582 1.00 3.75 C ATOM 1157 C ALA A 72 15.881 -12.118 2.394 1.00 4.06 C ATOM 1158 O ALA A 72 16.056 -13.307 2.573 1.00 4.72 O ATOM 1159 CB ALA A 72 14.667 -11.783 4.561 1.00 4.29 C ATOM 0 H ALA A 72 14.203 -9.632 3.394 1.00 2.93 H new ATOM 0 HA ALA A 72 16.624 -11.017 4.084 1.00 3.75 H new ATOM 0 HB1 ALA A 72 15.042 -12.745 4.910 1.00 4.29 H new ATOM 0 HB2 ALA A 72 14.534 -11.115 5.412 1.00 4.29 H new ATOM 0 HB3 ALA A 72 13.710 -11.927 4.060 1.00 4.29 H new ATOM 1165 N GLY A 73 15.882 -11.604 1.184 1.00 4.02 N ATOM 1166 CA GLY A 73 16.105 -12.474 -0.019 1.00 4.78 C ATOM 1167 C GLY A 73 14.809 -12.635 -0.816 1.00 5.02 C ATOM 1168 O GLY A 73 14.282 -11.689 -1.367 1.00 5.22 O ATOM 0 H GLY A 73 15.737 -10.616 0.977 1.00 4.02 H new ATOM 0 HA2 GLY A 73 16.876 -12.036 -0.653 1.00 4.78 H new ATOM 0 HA3 GLY A 73 16.469 -13.452 0.296 1.00 4.78 H new ATOM 1172 N GLU A 74 14.308 -13.838 -0.901 1.00 5.45 N ATOM 1173 CA GLU A 74 13.061 -14.089 -1.681 1.00 6.08 C ATOM 1174 C GLU A 74 11.838 -13.912 -0.774 1.00 6.79 C ATOM 1175 O GLU A 74 11.912 -14.317 0.374 1.00 7.18 O ATOM 1176 CB GLU A 74 13.095 -15.531 -2.213 1.00 6.51 C ATOM 1177 CG GLU A 74 13.168 -16.537 -1.030 1.00 6.66 C ATOM 1178 CD GLU A 74 14.183 -17.649 -1.332 1.00 7.34 C ATOM 1179 OE1 GLU A 74 14.262 -18.056 -2.479 1.00 7.78 O ATOM 1180 OE2 GLU A 74 14.863 -18.072 -0.410 1.00 7.67 O ATOM 1181 OXT GLU A 74 10.847 -13.374 -1.244 1.00 7.18 O ATOM 0 H GLU A 74 14.712 -14.664 -0.460 1.00 5.45 H new ATOM 0 HA GLU A 74 12.996 -13.384 -2.509 1.00 6.08 H new ATOM 0 HB2 GLU A 74 12.206 -15.727 -2.812 1.00 6.51 H new ATOM 0 HB3 GLU A 74 13.956 -15.665 -2.868 1.00 6.51 H new ATOM 0 HG2 GLU A 74 13.453 -16.014 -0.117 1.00 6.66 H new ATOM 0 HG3 GLU A 74 12.184 -16.972 -0.854 1.00 6.66 H new TER 1188 GLU A 74 END