USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 10-OCT-94 1TNS TITLE A NOVEL CLASS OF WINGED HELIX-TURN-HELIX PROTEIN: THE DNA- TITLE 2 BINDING DOMAIN OF MU TRANSPOSASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MU-TRANSPOSASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES 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,R.T.CLUBB,J.G.OMICHINSKI,A.M.GRONENBORN REVDAT 2 24-FEB-09 1TNS 1 VERSN REVDAT 1 14-FEB-95 1TNS 0 JRNL AUTH R.T.CLUBB,J.G.OMICHINSKI,H.SAVILAHTI,K.MIZUUCHI, JRNL AUTH 2 A.M.GRONENBORN,G.M.CLORE JRNL TITL A NOVEL CLASS OF WINGED HELIX-TURN-HELIX PROTEIN: JRNL TITL 2 THE DNA-BINDING DOMAIN OF MU TRANSPOSASE. JRNL REF STRUCTURE V. 2 1041 1994 JRNL REFN ISSN 0969-2126 JRNL PMID 7881904 JRNL DOI 10.1016/S0969-2126(94)00107-3 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE 3D SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF MU REMARK 3 TRANSPOSASE (MUA76, RESIDUES 1 - 76) WAS SOLVED BY REMARK 3 MULTIDIMENSIONAL HETERONUCLEAR-EDITED NMR EXPERIMENTS AND REMARK 3 IS BASED ON 1320 EXPERIMENTAL RESTRAINTS COMPRISING THE REMARK 3 FOLLOWING: (A) 1192 APPROXIMATE INTERPROTON DISTANCE REMARK 3 RESTRAINTS (308 SEQUENTIAL, 266 SHORT RANGE 1 , |I-J| <=5, REMARK 3 323 LONG RANGE |I-J|>5, AND 295 INTRARESIDUE (B) 18 REMARK 3 DISTANCE RESTRAINTS FOR 9 BACKBONE HYDROGEN BONDS (C) 36 REMARK 3 HN-CAH COUPLING CONSTANT RESTRAINTS (D) 74 TORSION ANGLE REMARK 3 RESTRAINTS (40 PHI, 23 CHI1 AND 11 CHI2). REMARK 3 REMARK 3 A COMPLETE LIST OF EXPERIMENTAL RESTRAINTS HAVE BEEN REMARK 3 DEPOSITED WITH THE BROOKHAVEN DATA BANK. REMARK 3 REMARK 3 THE STRUCTURES ARE CALCULATED USING THE HYBRID METRIC REMARK 3 MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING REMARK 3 METHOD DESCRIBED BY: NILGES, M., CLORE, G.M. & REMARK 3 GRONENBORN, A.M. (1988) FEBS LETT 229, 317 - 324 ALL REMARK 3 STRUCTURAL STATISTICS ARE GIVEN IN REF. 1. REMARK 3 REMARK 3 THIS STRUCTURE IS THE RESTRAINED MINIMIZED AVERAGE REMARK 3 STRUCTURE: (SA)R. THIS IS OBTAINED BY FIRST AVERAGING REMARK 3 THE COORDINATES OF THE INDIVIDUAL 33 DYNAMICAL SIMULATED REMARK 3 ANNEALING (SA) STRUCTURES BEST FITTED TO RESIDUES 3 - 36 REMARK 3 AND 45 - 65 AND SUBJECTING THE RESULTING COORDINATES TO REMARK 3 RESTRAINED MINIMIZATION. THE LAST NUMBER COLUMN IN THIS REMARK 3 SET OF COORDINATES (THE B-FACTOR COLUMN IN X-RAY REMARK 3 STRUCTURES) GIVES THE AVERAGE RMS DIFFERENCE BETWEEN THE REMARK 3 INDIVIDUAL SA STRUCTURES AND THE MEAN STRUCTURE. THE REMARK 3 NUMBERS IN THE LAST COLUMN OF THE INDIVIDUAL STRUCTURES REMARK 3 HAVE NO MEANING. RESIDUES 1 - 2, 66 - 76, AND 37 - 44 ARE REMARK 3 DISORDERED IN SOLUTION. THE 33 INDIVIDUAL STRUCTURES CAN REMARK 3 BE FOUND IN PDB ENTRY 1TNT. REMARK 4 REMARK 4 1TNS 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 LEU A 3 74.35 -161.65 REMARK 500 ALA A 11 29.24 -64.14 REMARK 500 ASN A 12 -8.49 -146.05 REMARK 500 PRO A 17 177.69 -55.06 REMARK 500 GLN A 30 -61.74 -150.16 REMARK 500 GLN A 33 98.07 -47.88 REMARK 500 VAL A 40 -83.13 -93.08 REMARK 500 LYS A 41 -74.06 -80.52 REMARK 500 LYS A 44 97.32 52.05 REMARK 500 PRO A 54 -165.06 -57.25 REMARK 500 GLU A 67 93.37 55.99 REMARK 500 ILE A 68 -77.92 -85.14 REMARK 500 GLU A 69 -133.64 -136.18 REMARK 500 THR A 70 -139.27 -80.73 REMARK 500 SER A 71 -74.16 73.33 REMARK 500 PHE A 75 23.60 40.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TNT RELATED DB: PDB DBREF 1TNS A 1 76 UNP P07636 TRA_BPMU 1 76 SEQADV 1TNS LEU A 10 UNP P07636 CYS 10 CONFLICT SEQRES 1 A 76 MET GLU LEU TRP VAL SER PRO LYS GLU LEU ALA ASN LEU SEQRES 2 A 76 PRO GLY LEU PRO LYS THR SER ALA GLY VAL ILE TYR VAL SEQRES 3 A 76 ALA LYS LYS GLN GLY TRP GLN ASN ARG THR ARG ALA GLY SEQRES 4 A 76 VAL LYS GLY GLY LYS ALA ILE GLU TYR ASN ALA ASN SER SEQRES 5 A 76 LEU PRO VAL GLU ALA LYS ALA ALA LEU LEU LEU ARG GLN SEQRES 6 A 76 GLY GLU ILE GLU THR SER LEU GLY TYR PHE GLU HELIX 1 1 SER A 6 ALA A 11 1 6 HELIX 2 2 THR A 19 LYS A 29 1 11 HELIX 3 3 PRO A 54 GLN A 65 1 12 SHEET 1 A 2 TRP A 4 VAL A 5 0 SHEET 2 A 2 TYR A 48 ASN A 49 -1 O TYR A 48 N VAL A 5 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 49 ASN : amide:sc= -1.7! C(o=-2.4!,f=-11!) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.699 K(o=-2.4,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0962) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -0.231 (180deg=-0.98) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0547 (180deg=-0.432) USER MOD Single : A 30 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -2.03 K(o=-2,f=-0.4) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.228 (180deg=-1.36!) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0369 USER MOD Single : A 52 SER OG : rot -130:sc= -0.414 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.399 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.067 -6.717 8.118 1.00 2.40 N ATOM 2 CA MET A 1 9.203 -5.294 7.698 1.00 1.96 C ATOM 3 C MET A 1 7.816 -4.705 7.435 1.00 1.45 C ATOM 4 O MET A 1 6.991 -5.305 6.775 1.00 1.76 O ATOM 5 CB MET A 1 10.041 -5.217 6.420 1.00 2.27 C ATOM 6 CG MET A 1 10.440 -3.764 6.157 1.00 2.43 C ATOM 7 SD MET A 1 11.391 -3.668 4.620 1.00 2.71 S ATOM 8 CE MET A 1 10.908 -1.986 4.160 1.00 3.01 C ATOM 0 H1 MET A 1 10.010 -7.118 8.297 1.00 2.40 H new ATOM 0 H2 MET A 1 8.498 -6.770 8.987 1.00 2.40 H new ATOM 0 H3 MET A 1 8.598 -7.258 7.364 1.00 2.40 H new ATOM 0 HA MET A 1 9.694 -4.727 8.489 1.00 1.96 H new ATOM 0 HB2 MET A 1 10.932 -5.837 6.519 1.00 2.27 H new ATOM 0 HB3 MET A 1 9.473 -5.607 5.576 1.00 2.27 H new ATOM 0 HG2 MET A 1 9.550 -3.138 6.086 1.00 2.43 H new ATOM 0 HG3 MET A 1 11.033 -3.382 6.988 1.00 2.43 H new ATOM 0 HE1 MET A 1 11.390 -1.713 3.221 1.00 3.01 H new ATOM 0 HE2 MET A 1 9.826 -1.938 4.040 1.00 3.01 H new ATOM 0 HE3 MET A 1 11.217 -1.292 4.941 1.00 3.01 H new ATOM 20 N GLU A 2 7.552 -3.532 7.947 1.00 1.11 N ATOM 21 CA GLU A 2 6.216 -2.899 7.730 1.00 0.87 C ATOM 22 C GLU A 2 6.250 -2.063 6.449 1.00 0.89 C ATOM 23 O GLU A 2 7.169 -1.303 6.216 1.00 1.62 O ATOM 24 CB GLU A 2 5.885 -1.994 8.919 1.00 1.06 C ATOM 25 CG GLU A 2 5.650 -2.852 10.164 1.00 1.55 C ATOM 26 CD GLU A 2 5.129 -1.970 11.301 1.00 2.21 C ATOM 27 OE1 GLU A 2 5.923 -1.237 11.867 1.00 2.73 O ATOM 28 OE2 GLU A 2 3.945 -2.043 11.585 1.00 2.86 O ATOM 0 H GLU A 2 8.204 -2.983 8.507 1.00 1.11 H new ATOM 0 HA GLU A 2 5.456 -3.675 7.638 1.00 0.87 H new ATOM 0 HB2 GLU A 2 6.702 -1.294 9.096 1.00 1.06 H new ATOM 0 HB3 GLU A 2 4.998 -1.400 8.701 1.00 1.06 H new ATOM 0 HG2 GLU A 2 4.932 -3.642 9.944 1.00 1.55 H new ATOM 0 HG3 GLU A 2 6.578 -3.339 10.463 1.00 1.55 H new ATOM 35 N LEU A 3 5.253 -2.194 5.618 1.00 0.44 N ATOM 36 CA LEU A 3 5.226 -1.405 4.354 1.00 0.39 C ATOM 37 C LEU A 3 3.799 -1.382 3.803 1.00 0.34 C ATOM 38 O LEU A 3 3.488 -2.044 2.833 1.00 0.55 O ATOM 39 CB LEU A 3 6.167 -2.053 3.328 1.00 0.40 C ATOM 40 CG LEU A 3 6.243 -1.198 2.048 1.00 0.43 C ATOM 41 CD1 LEU A 3 7.068 0.075 2.297 1.00 0.56 C ATOM 42 CD2 LEU A 3 6.902 -2.023 0.937 1.00 0.47 C ATOM 0 H LEU A 3 4.455 -2.814 5.760 1.00 0.44 H new ATOM 0 HA LEU A 3 5.555 -0.385 4.550 1.00 0.39 H new ATOM 0 HB2 LEU A 3 7.162 -2.163 3.758 1.00 0.40 H new ATOM 0 HB3 LEU A 3 5.813 -3.054 3.083 1.00 0.40 H new ATOM 0 HG LEU A 3 5.235 -0.907 1.754 1.00 0.43 H new ATOM 0 HD11 LEU A 3 7.110 0.666 1.382 1.00 0.56 H new ATOM 0 HD12 LEU A 3 6.601 0.663 3.087 1.00 0.56 H new ATOM 0 HD13 LEU A 3 8.079 -0.200 2.599 1.00 0.56 H new ATOM 0 HD21 LEU A 3 6.960 -1.426 0.027 1.00 0.47 H new ATOM 0 HD22 LEU A 3 7.906 -2.313 1.246 1.00 0.47 H new ATOM 0 HD23 LEU A 3 6.309 -2.917 0.747 1.00 0.47 H new ATOM 54 N TRP A 4 2.929 -0.621 4.408 1.00 0.24 N ATOM 55 CA TRP A 4 1.527 -0.554 3.909 1.00 0.19 C ATOM 56 C TRP A 4 1.462 0.422 2.735 1.00 0.23 C ATOM 57 O TRP A 4 2.342 1.239 2.549 1.00 0.31 O ATOM 58 CB TRP A 4 0.606 -0.082 5.034 1.00 0.21 C ATOM 59 CG TRP A 4 0.690 -1.052 6.167 1.00 0.21 C ATOM 60 CD1 TRP A 4 1.727 -1.144 7.032 1.00 0.24 C ATOM 61 CD2 TRP A 4 -0.271 -2.070 6.569 1.00 0.21 C ATOM 62 NE1 TRP A 4 1.464 -2.151 7.943 1.00 0.26 N ATOM 63 CE2 TRP A 4 0.247 -2.753 7.703 1.00 0.24 C ATOM 64 CE3 TRP A 4 -1.534 -2.467 6.068 1.00 0.20 C ATOM 65 CZ2 TRP A 4 -0.462 -3.794 8.319 1.00 0.26 C ATOM 66 CZ3 TRP A 4 -2.250 -3.514 6.687 1.00 0.22 C ATOM 67 CH2 TRP A 4 -1.714 -4.176 7.810 1.00 0.25 C ATOM 0 H TRP A 4 3.128 -0.044 5.225 1.00 0.24 H new ATOM 0 HA TRP A 4 1.203 -1.541 3.578 1.00 0.19 H new ATOM 0 HB2 TRP A 4 0.898 0.914 5.368 1.00 0.21 H new ATOM 0 HB3 TRP A 4 -0.421 -0.009 4.675 1.00 0.21 H new ATOM 0 HD1 TRP A 4 2.616 -0.531 7.014 1.00 0.24 H new ATOM 0 HE1 TRP A 4 2.094 -2.416 8.700 1.00 0.26 H new ATOM 0 HE3 TRP A 4 -1.952 -1.966 5.207 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -0.048 -4.299 9.179 1.00 0.26 H new ATOM 0 HZ3 TRP A 4 -3.213 -3.809 6.298 1.00 0.22 H new ATOM 0 HH2 TRP A 4 -2.266 -4.977 8.279 1.00 0.25 H new ATOM 78 N VAL A 5 0.434 0.332 1.931 1.00 0.22 N ATOM 79 CA VAL A 5 0.307 1.240 0.749 1.00 0.28 C ATOM 80 C VAL A 5 -1.126 1.772 0.663 1.00 0.34 C ATOM 81 O VAL A 5 -2.056 1.160 1.150 1.00 0.81 O ATOM 82 CB VAL A 5 0.635 0.452 -0.520 1.00 0.29 C ATOM 83 CG1 VAL A 5 0.644 1.396 -1.719 1.00 0.43 C ATOM 84 CG2 VAL A 5 2.012 -0.201 -0.376 1.00 0.36 C ATOM 0 H VAL A 5 -0.329 -0.336 2.043 1.00 0.22 H new ATOM 0 HA VAL A 5 0.996 2.078 0.853 1.00 0.28 H new ATOM 0 HB VAL A 5 -0.119 -0.320 -0.671 1.00 0.29 H new ATOM 0 HG11 VAL A 5 0.878 0.834 -2.623 1.00 0.43 H new ATOM 0 HG12 VAL A 5 -0.337 1.860 -1.824 1.00 0.43 H new ATOM 0 HG13 VAL A 5 1.397 2.169 -1.568 1.00 0.43 H new ATOM 0 HG21 VAL A 5 2.245 -0.762 -1.281 1.00 0.36 H new ATOM 0 HG22 VAL A 5 2.766 0.571 -0.223 1.00 0.36 H new ATOM 0 HG23 VAL A 5 2.006 -0.877 0.479 1.00 0.36 H new ATOM 94 N SER A 6 -1.309 2.913 0.044 1.00 0.25 N ATOM 95 CA SER A 6 -2.679 3.505 -0.082 1.00 0.20 C ATOM 96 C SER A 6 -3.225 3.222 -1.500 1.00 0.17 C ATOM 97 O SER A 6 -2.446 3.075 -2.422 1.00 0.19 O ATOM 98 CB SER A 6 -2.575 5.018 0.138 1.00 0.24 C ATOM 99 OG SER A 6 -2.514 5.285 1.533 1.00 0.27 O ATOM 0 H SER A 6 -0.564 3.464 -0.382 1.00 0.25 H new ATOM 0 HA SER A 6 -3.352 3.068 0.656 1.00 0.20 H new ATOM 0 HB2 SER A 6 -1.687 5.409 -0.358 1.00 0.24 H new ATOM 0 HB3 SER A 6 -3.435 5.522 -0.303 1.00 0.24 H new ATOM 0 HG SER A 6 -2.446 6.252 1.678 1.00 0.27 H new ATOM 105 N PRO A 7 -4.539 3.158 -1.655 1.00 0.16 N ATOM 106 CA PRO A 7 -5.144 2.901 -2.979 1.00 0.16 C ATOM 107 C PRO A 7 -4.616 3.906 -4.016 1.00 0.16 C ATOM 108 O PRO A 7 -4.290 3.547 -5.130 1.00 0.16 O ATOM 109 CB PRO A 7 -6.669 3.064 -2.761 1.00 0.19 C ATOM 110 CG PRO A 7 -6.898 3.343 -1.246 1.00 0.19 C ATOM 111 CD PRO A 7 -5.516 3.330 -0.554 1.00 0.17 C ATOM 0 HA PRO A 7 -4.898 1.911 -3.363 1.00 0.16 H new ATOM 0 HB2 PRO A 7 -7.057 3.884 -3.365 1.00 0.19 H new ATOM 0 HB3 PRO A 7 -7.199 2.163 -3.069 1.00 0.19 H new ATOM 0 HG2 PRO A 7 -7.388 4.306 -1.104 1.00 0.19 H new ATOM 0 HG3 PRO A 7 -7.551 2.586 -0.812 1.00 0.19 H new ATOM 0 HD2 PRO A 7 -5.338 4.257 -0.010 1.00 0.17 H new ATOM 0 HD3 PRO A 7 -5.444 2.517 0.169 1.00 0.17 H new ATOM 119 N LYS A 8 -4.541 5.158 -3.662 1.00 0.17 N ATOM 120 CA LYS A 8 -4.048 6.179 -4.632 1.00 0.19 C ATOM 121 C LYS A 8 -2.628 5.824 -5.087 1.00 0.18 C ATOM 122 O LYS A 8 -2.207 6.189 -6.167 1.00 0.19 O ATOM 123 CB LYS A 8 -4.044 7.556 -3.961 1.00 0.23 C ATOM 124 CG LYS A 8 -3.510 7.426 -2.532 1.00 0.36 C ATOM 125 CD LYS A 8 -3.132 8.809 -1.997 1.00 0.46 C ATOM 126 CE LYS A 8 -2.510 8.664 -0.607 1.00 1.38 C ATOM 127 NZ LYS A 8 -2.046 9.997 -0.129 1.00 2.17 N ATOM 0 H LYS A 8 -4.799 5.520 -2.744 1.00 0.17 H new ATOM 0 HA LYS A 8 -4.706 6.198 -5.501 1.00 0.19 H new ATOM 0 HB2 LYS A 8 -3.424 8.248 -4.531 1.00 0.23 H new ATOM 0 HB3 LYS A 8 -5.053 7.969 -3.948 1.00 0.23 H new ATOM 0 HG2 LYS A 8 -4.265 6.971 -1.891 1.00 0.36 H new ATOM 0 HG3 LYS A 8 -2.641 6.769 -2.516 1.00 0.36 H new ATOM 0 HD2 LYS A 8 -2.428 9.293 -2.674 1.00 0.46 H new ATOM 0 HD3 LYS A 8 -4.015 9.446 -1.948 1.00 0.46 H new ATOM 0 HE2 LYS A 8 -3.240 8.250 0.089 1.00 1.38 H new ATOM 0 HE3 LYS A 8 -1.673 7.967 -0.642 1.00 1.38 H new ATOM 0 HZ1 LYS A 8 -1.623 9.899 0.816 1.00 2.17 H new ATOM 0 HZ2 LYS A 8 -1.336 10.375 -0.789 1.00 2.17 H new ATOM 0 HZ3 LYS A 8 -2.855 10.649 -0.080 1.00 2.17 H new ATOM 141 N GLU A 9 -1.885 5.119 -4.278 1.00 0.17 N ATOM 142 CA GLU A 9 -0.494 4.749 -4.677 1.00 0.18 C ATOM 143 C GLU A 9 -0.529 3.483 -5.537 1.00 0.16 C ATOM 144 O GLU A 9 0.365 3.226 -6.317 1.00 0.17 O ATOM 145 CB GLU A 9 0.345 4.492 -3.426 1.00 0.20 C ATOM 146 CG GLU A 9 0.648 5.821 -2.730 1.00 0.28 C ATOM 147 CD GLU A 9 1.688 6.597 -3.538 1.00 1.24 C ATOM 148 OE1 GLU A 9 1.291 7.321 -4.437 1.00 1.93 O ATOM 149 OE2 GLU A 9 2.864 6.455 -3.246 1.00 2.06 O ATOM 0 H GLU A 9 -2.178 4.783 -3.361 1.00 0.17 H new ATOM 0 HA GLU A 9 -0.052 5.565 -5.249 1.00 0.18 H new ATOM 0 HB2 GLU A 9 -0.190 3.828 -2.747 1.00 0.20 H new ATOM 0 HB3 GLU A 9 1.275 3.991 -3.696 1.00 0.20 H new ATOM 0 HG2 GLU A 9 -0.265 6.409 -2.633 1.00 0.28 H new ATOM 0 HG3 GLU A 9 1.018 5.639 -1.721 1.00 0.28 H new ATOM 156 N LEU A 10 -1.559 2.693 -5.404 1.00 0.15 N ATOM 157 CA LEU A 10 -1.655 1.447 -6.218 1.00 0.15 C ATOM 158 C LEU A 10 -2.194 1.800 -7.605 1.00 0.14 C ATOM 159 O LEU A 10 -2.023 1.063 -8.556 1.00 0.14 O ATOM 160 CB LEU A 10 -2.615 0.465 -5.537 1.00 0.16 C ATOM 161 CG LEU A 10 -2.062 0.044 -4.168 1.00 0.18 C ATOM 162 CD1 LEU A 10 -3.104 -0.820 -3.450 1.00 0.21 C ATOM 163 CD2 LEU A 10 -0.760 -0.762 -4.342 1.00 0.20 C ATOM 0 H LEU A 10 -2.339 2.856 -4.767 1.00 0.15 H new ATOM 0 HA LEU A 10 -0.670 0.989 -6.308 1.00 0.15 H new ATOM 0 HB2 LEU A 10 -3.594 0.928 -5.415 1.00 0.16 H new ATOM 0 HB3 LEU A 10 -2.755 -0.414 -6.167 1.00 0.16 H new ATOM 0 HG LEU A 10 -1.847 0.936 -3.580 1.00 0.18 H new ATOM 0 HD11 LEU A 10 -2.718 -1.123 -2.477 1.00 0.21 H new ATOM 0 HD12 LEU A 10 -4.021 -0.246 -3.314 1.00 0.21 H new ATOM 0 HD13 LEU A 10 -3.316 -1.707 -4.048 1.00 0.21 H new ATOM 0 HD21 LEU A 10 -0.379 -1.054 -3.363 1.00 0.20 H new ATOM 0 HD22 LEU A 10 -0.961 -1.655 -4.934 1.00 0.20 H new ATOM 0 HD23 LEU A 10 -0.017 -0.148 -4.852 1.00 0.20 H new ATOM 175 N ALA A 11 -2.852 2.921 -7.718 1.00 0.15 N ATOM 176 CA ALA A 11 -3.413 3.348 -9.033 1.00 0.17 C ATOM 177 C ALA A 11 -2.292 3.606 -10.054 1.00 0.17 C ATOM 178 O ALA A 11 -2.442 4.428 -10.936 1.00 0.19 O ATOM 179 CB ALA A 11 -4.223 4.632 -8.841 1.00 0.19 C ATOM 0 H ALA A 11 -3.027 3.566 -6.948 1.00 0.15 H new ATOM 0 HA ALA A 11 -4.051 2.550 -9.413 1.00 0.17 H new ATOM 0 HB1 ALA A 11 -4.635 4.949 -9.799 1.00 0.19 H new ATOM 0 HB2 ALA A 11 -5.036 4.448 -8.139 1.00 0.19 H new ATOM 0 HB3 ALA A 11 -3.575 5.416 -8.448 1.00 0.19 H new ATOM 185 N ASN A 12 -1.168 2.935 -9.951 1.00 0.17 N ATOM 186 CA ASN A 12 -0.061 3.185 -10.930 1.00 0.19 C ATOM 187 C ASN A 12 0.717 1.894 -11.215 1.00 0.19 C ATOM 188 O ASN A 12 1.546 1.854 -12.102 1.00 0.22 O ATOM 189 CB ASN A 12 0.895 4.231 -10.354 1.00 0.22 C ATOM 190 CG ASN A 12 0.103 5.471 -9.932 1.00 1.32 C ATOM 191 OD1 ASN A 12 -0.079 5.719 -8.757 1.00 2.08 O ATOM 192 ND2 ASN A 12 -0.378 6.265 -10.849 1.00 2.17 N ATOM 0 H ASN A 12 -0.970 2.232 -9.239 1.00 0.17 H new ATOM 0 HA ASN A 12 -0.496 3.544 -11.863 1.00 0.19 H new ATOM 0 HB2 ASN A 12 1.429 3.819 -9.498 1.00 0.22 H new ATOM 0 HB3 ASN A 12 1.645 4.501 -11.097 1.00 0.22 H new ATOM 0 HD21 ASN A 12 -0.907 7.094 -10.579 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -0.225 6.056 -11.836 1.00 2.17 H new ATOM 199 N LEU A 13 0.464 0.835 -10.492 1.00 0.18 N ATOM 200 CA LEU A 13 1.206 -0.431 -10.768 1.00 0.19 C ATOM 201 C LEU A 13 0.563 -1.105 -11.999 1.00 0.19 C ATOM 202 O LEU A 13 -0.628 -0.975 -12.192 1.00 0.18 O ATOM 203 CB LEU A 13 1.105 -1.362 -9.550 1.00 0.19 C ATOM 204 CG LEU A 13 1.485 -0.606 -8.267 1.00 0.20 C ATOM 205 CD1 LEU A 13 1.638 -1.605 -7.115 1.00 0.22 C ATOM 206 CD2 LEU A 13 2.813 0.138 -8.465 1.00 0.22 C ATOM 0 H LEU A 13 -0.215 0.790 -9.732 1.00 0.18 H new ATOM 0 HA LEU A 13 2.258 -0.222 -10.962 1.00 0.19 H new ATOM 0 HB2 LEU A 13 0.090 -1.751 -9.464 1.00 0.19 H new ATOM 0 HB3 LEU A 13 1.764 -2.220 -9.684 1.00 0.19 H new ATOM 0 HG LEU A 13 0.701 0.114 -8.035 1.00 0.20 H new ATOM 0 HD11 LEU A 13 1.908 -1.071 -6.204 1.00 0.22 H new ATOM 0 HD12 LEU A 13 0.696 -2.131 -6.962 1.00 0.22 H new ATOM 0 HD13 LEU A 13 2.420 -2.324 -7.359 1.00 0.22 H new ATOM 0 HD21 LEU A 13 3.072 0.670 -7.550 1.00 0.22 H new ATOM 0 HD22 LEU A 13 3.599 -0.578 -8.703 1.00 0.22 H new ATOM 0 HD23 LEU A 13 2.712 0.851 -9.283 1.00 0.22 H new ATOM 218 N PRO A 14 1.343 -1.797 -12.814 1.00 0.21 N ATOM 219 CA PRO A 14 0.794 -2.457 -14.019 1.00 0.22 C ATOM 220 C PRO A 14 -0.300 -3.467 -13.638 1.00 0.21 C ATOM 221 O PRO A 14 -1.456 -3.304 -13.977 1.00 0.21 O ATOM 222 CB PRO A 14 2.006 -3.166 -14.674 1.00 0.26 C ATOM 223 CG PRO A 14 3.225 -2.974 -13.726 1.00 0.27 C ATOM 224 CD PRO A 14 2.800 -1.983 -12.621 1.00 0.24 C ATOM 0 HA PRO A 14 0.325 -1.746 -14.699 1.00 0.22 H new ATOM 0 HB2 PRO A 14 1.797 -4.226 -14.821 1.00 0.26 H new ATOM 0 HB3 PRO A 14 2.213 -2.742 -15.657 1.00 0.26 H new ATOM 0 HG2 PRO A 14 3.527 -3.927 -13.291 1.00 0.27 H new ATOM 0 HG3 PRO A 14 4.083 -2.589 -14.277 1.00 0.27 H new ATOM 0 HD2 PRO A 14 3.020 -2.379 -11.630 1.00 0.24 H new ATOM 0 HD3 PRO A 14 3.334 -1.037 -12.712 1.00 0.24 H new ATOM 232 N GLY A 15 0.066 -4.515 -12.954 1.00 0.21 N ATOM 233 CA GLY A 15 -0.933 -5.555 -12.561 1.00 0.20 C ATOM 234 C GLY A 15 -2.216 -4.897 -12.050 1.00 0.19 C ATOM 235 O GLY A 15 -3.306 -5.386 -12.272 1.00 0.21 O ATOM 0 H GLY A 15 1.021 -4.699 -12.647 1.00 0.21 H new ATOM 0 HA2 GLY A 15 -1.159 -6.192 -13.416 1.00 0.20 H new ATOM 0 HA3 GLY A 15 -0.513 -6.197 -11.787 1.00 0.20 H new ATOM 239 N LEU A 16 -2.098 -3.795 -11.361 1.00 0.17 N ATOM 240 CA LEU A 16 -3.311 -3.104 -10.825 1.00 0.16 C ATOM 241 C LEU A 16 -3.747 -2.005 -11.820 1.00 0.16 C ATOM 242 O LEU A 16 -2.907 -1.443 -12.492 1.00 0.16 O ATOM 243 CB LEU A 16 -2.951 -2.461 -9.481 1.00 0.15 C ATOM 244 CG LEU A 16 -2.199 -3.472 -8.608 1.00 0.17 C ATOM 245 CD1 LEU A 16 -1.877 -2.825 -7.261 1.00 0.17 C ATOM 246 CD2 LEU A 16 -3.071 -4.714 -8.382 1.00 0.22 C ATOM 0 H LEU A 16 -1.211 -3.340 -11.144 1.00 0.17 H new ATOM 0 HA LEU A 16 -4.125 -3.816 -10.691 1.00 0.16 H new ATOM 0 HB2 LEU A 16 -2.334 -1.577 -9.644 1.00 0.15 H new ATOM 0 HB3 LEU A 16 -3.856 -2.129 -8.972 1.00 0.15 H new ATOM 0 HG LEU A 16 -1.277 -3.769 -9.107 1.00 0.17 H new ATOM 0 HD11 LEU A 16 -1.342 -3.538 -6.634 1.00 0.17 H new ATOM 0 HD12 LEU A 16 -1.256 -1.944 -7.420 1.00 0.17 H new ATOM 0 HD13 LEU A 16 -2.804 -2.532 -6.768 1.00 0.17 H new ATOM 0 HD21 LEU A 16 -2.532 -5.429 -7.761 1.00 0.22 H new ATOM 0 HD22 LEU A 16 -3.995 -4.424 -7.882 1.00 0.22 H new ATOM 0 HD23 LEU A 16 -3.307 -5.173 -9.342 1.00 0.22 H new ATOM 258 N PRO A 17 -5.034 -1.708 -11.896 1.00 0.16 N ATOM 259 CA PRO A 17 -5.517 -0.659 -12.817 1.00 0.17 C ATOM 260 C PRO A 17 -4.774 0.658 -12.543 1.00 0.16 C ATOM 261 O PRO A 17 -3.955 0.746 -11.649 1.00 0.20 O ATOM 262 CB PRO A 17 -7.031 -0.532 -12.522 1.00 0.18 C ATOM 263 CG PRO A 17 -7.375 -1.555 -11.400 1.00 0.19 C ATOM 264 CD PRO A 17 -6.095 -2.366 -11.101 1.00 0.18 C ATOM 0 HA PRO A 17 -5.340 -0.901 -13.865 1.00 0.17 H new ATOM 0 HB2 PRO A 17 -7.276 0.482 -12.205 1.00 0.18 H new ATOM 0 HB3 PRO A 17 -7.615 -0.736 -13.419 1.00 0.18 H new ATOM 0 HG2 PRO A 17 -7.720 -1.039 -10.504 1.00 0.19 H new ATOM 0 HG3 PRO A 17 -8.182 -2.216 -11.718 1.00 0.19 H new ATOM 0 HD2 PRO A 17 -5.858 -2.352 -10.037 1.00 0.18 H new ATOM 0 HD3 PRO A 17 -6.213 -3.411 -11.388 1.00 0.18 H new ATOM 272 N LYS A 18 -5.055 1.680 -13.310 1.00 0.17 N ATOM 273 CA LYS A 18 -4.370 2.994 -13.107 1.00 0.17 C ATOM 274 C LYS A 18 -5.266 3.922 -12.284 1.00 0.16 C ATOM 275 O LYS A 18 -4.974 5.090 -12.118 1.00 0.27 O ATOM 276 CB LYS A 18 -4.095 3.631 -14.471 1.00 0.22 C ATOM 277 CG LYS A 18 -3.560 2.566 -15.430 1.00 0.28 C ATOM 278 CD LYS A 18 -2.938 3.242 -16.653 1.00 0.76 C ATOM 279 CE LYS A 18 -2.408 2.176 -17.613 1.00 1.56 C ATOM 280 NZ LYS A 18 -1.159 1.583 -17.058 1.00 2.17 N ATOM 0 H LYS A 18 -5.733 1.662 -14.072 1.00 0.17 H new ATOM 0 HA LYS A 18 -3.431 2.837 -12.575 1.00 0.17 H new ATOM 0 HB2 LYS A 18 -5.009 4.070 -14.871 1.00 0.22 H new ATOM 0 HB3 LYS A 18 -3.372 4.440 -14.368 1.00 0.22 H new ATOM 0 HG2 LYS A 18 -2.816 1.949 -14.926 1.00 0.28 H new ATOM 0 HG3 LYS A 18 -4.368 1.903 -15.740 1.00 0.28 H new ATOM 0 HD2 LYS A 18 -3.680 3.862 -17.156 1.00 0.76 H new ATOM 0 HD3 LYS A 18 -2.128 3.903 -16.344 1.00 0.76 H new ATOM 0 HE2 LYS A 18 -3.158 1.399 -17.760 1.00 1.56 H new ATOM 0 HE3 LYS A 18 -2.211 2.617 -18.590 1.00 1.56 H new ATOM 0 HZ1 LYS A 18 -0.699 0.999 -17.785 1.00 2.17 H new ATOM 0 HZ2 LYS A 18 -0.513 2.344 -16.766 1.00 2.17 H new ATOM 0 HZ3 LYS A 18 -1.392 0.991 -16.235 1.00 2.17 H new ATOM 294 N THR A 19 -6.358 3.411 -11.772 1.00 0.19 N ATOM 295 CA THR A 19 -7.289 4.254 -10.957 1.00 0.18 C ATOM 296 C THR A 19 -7.661 3.506 -9.677 1.00 0.16 C ATOM 297 O THR A 19 -8.054 2.357 -9.709 1.00 0.15 O ATOM 298 CB THR A 19 -8.555 4.535 -11.769 1.00 0.20 C ATOM 299 OG1 THR A 19 -9.414 3.404 -11.710 1.00 0.19 O ATOM 300 CG2 THR A 19 -8.177 4.816 -13.224 1.00 0.26 C ATOM 0 H THR A 19 -6.647 2.439 -11.884 1.00 0.19 H new ATOM 0 HA THR A 19 -6.803 5.195 -10.700 1.00 0.18 H new ATOM 0 HB THR A 19 -9.068 5.403 -11.355 1.00 0.20 H new ATOM 0 HG1 THR A 19 -10.226 3.583 -12.228 1.00 0.19 H new ATOM 0 HG21 THR A 19 -9.079 5.016 -13.802 1.00 0.26 H new ATOM 0 HG22 THR A 19 -7.518 5.683 -13.268 1.00 0.26 H new ATOM 0 HG23 THR A 19 -7.664 3.949 -13.641 1.00 0.26 H new ATOM 308 N SER A 20 -7.539 4.150 -8.548 1.00 0.18 N ATOM 309 CA SER A 20 -7.885 3.478 -7.265 1.00 0.21 C ATOM 310 C SER A 20 -9.293 2.887 -7.362 1.00 0.19 C ATOM 311 O SER A 20 -9.600 1.885 -6.750 1.00 0.22 O ATOM 312 CB SER A 20 -7.835 4.501 -6.128 1.00 0.26 C ATOM 313 OG SER A 20 -8.450 5.709 -6.558 1.00 1.20 O ATOM 0 H SER A 20 -7.214 5.113 -8.460 1.00 0.18 H new ATOM 0 HA SER A 20 -7.171 2.679 -7.067 1.00 0.21 H new ATOM 0 HB2 SER A 20 -8.348 4.111 -5.249 1.00 0.26 H new ATOM 0 HB3 SER A 20 -6.801 4.689 -5.837 1.00 0.26 H new ATOM 0 HG SER A 20 -8.422 6.367 -5.832 1.00 1.20 H new ATOM 319 N ALA A 21 -10.151 3.501 -8.128 1.00 0.18 N ATOM 320 CA ALA A 21 -11.537 2.973 -8.262 1.00 0.21 C ATOM 321 C ALA A 21 -11.482 1.503 -8.677 1.00 0.21 C ATOM 322 O ALA A 21 -12.261 0.688 -8.223 1.00 0.34 O ATOM 323 CB ALA A 21 -12.289 3.776 -9.325 1.00 0.24 C ATOM 0 H ALA A 21 -9.953 4.344 -8.666 1.00 0.18 H new ATOM 0 HA ALA A 21 -12.055 3.063 -7.307 1.00 0.21 H new ATOM 0 HB1 ALA A 21 -13.303 3.389 -9.423 1.00 0.24 H new ATOM 0 HB2 ALA A 21 -12.327 4.825 -9.030 1.00 0.24 H new ATOM 0 HB3 ALA A 21 -11.773 3.687 -10.281 1.00 0.24 H new ATOM 329 N GLY A 22 -10.565 1.158 -9.536 1.00 0.17 N ATOM 330 CA GLY A 22 -10.457 -0.260 -9.980 1.00 0.17 C ATOM 331 C GLY A 22 -9.750 -1.079 -8.900 1.00 0.16 C ATOM 332 O GLY A 22 -10.059 -2.234 -8.682 1.00 0.17 O ATOM 0 H GLY A 22 -9.885 1.796 -9.950 1.00 0.17 H new ATOM 0 HA2 GLY A 22 -11.449 -0.669 -10.171 1.00 0.17 H new ATOM 0 HA3 GLY A 22 -9.903 -0.318 -10.917 1.00 0.17 H new ATOM 336 N VAL A 23 -8.802 -0.492 -8.221 1.00 0.16 N ATOM 337 CA VAL A 23 -8.079 -1.242 -7.155 1.00 0.17 C ATOM 338 C VAL A 23 -9.046 -1.568 -6.018 1.00 0.17 C ATOM 339 O VAL A 23 -9.199 -2.709 -5.631 1.00 0.23 O ATOM 340 CB VAL A 23 -6.931 -0.390 -6.613 1.00 0.19 C ATOM 341 CG1 VAL A 23 -6.108 -1.218 -5.625 1.00 0.26 C ATOM 342 CG2 VAL A 23 -6.037 0.058 -7.771 1.00 0.20 C ATOM 0 H VAL A 23 -8.498 0.472 -8.358 1.00 0.16 H new ATOM 0 HA VAL A 23 -7.679 -2.166 -7.573 1.00 0.17 H new ATOM 0 HB VAL A 23 -7.335 0.487 -6.107 1.00 0.19 H new ATOM 0 HG11 VAL A 23 -5.289 -0.613 -5.237 1.00 0.26 H new ATOM 0 HG12 VAL A 23 -6.744 -1.539 -4.800 1.00 0.26 H new ATOM 0 HG13 VAL A 23 -5.703 -2.094 -6.133 1.00 0.26 H new ATOM 0 HG21 VAL A 23 -5.218 0.665 -7.385 1.00 0.20 H new ATOM 0 HG22 VAL A 23 -5.631 -0.818 -8.277 1.00 0.20 H new ATOM 0 HG23 VAL A 23 -6.623 0.646 -8.477 1.00 0.20 H new ATOM 352 N ILE A 24 -9.700 -0.576 -5.477 1.00 0.16 N ATOM 353 CA ILE A 24 -10.657 -0.836 -4.366 1.00 0.18 C ATOM 354 C ILE A 24 -11.727 -1.818 -4.849 1.00 0.18 C ATOM 355 O ILE A 24 -12.073 -2.757 -4.161 1.00 0.19 O ATOM 356 CB ILE A 24 -11.297 0.488 -3.926 1.00 0.20 C ATOM 357 CG1 ILE A 24 -10.176 1.458 -3.522 1.00 0.29 C ATOM 358 CG2 ILE A 24 -12.228 0.247 -2.727 1.00 0.30 C ATOM 359 CD1 ILE A 24 -10.765 2.712 -2.869 1.00 0.29 C ATOM 0 H ILE A 24 -9.613 0.401 -5.756 1.00 0.16 H new ATOM 0 HA ILE A 24 -10.136 -1.271 -3.513 1.00 0.18 H new ATOM 0 HB ILE A 24 -11.882 0.908 -4.744 1.00 0.20 H new ATOM 0 HG12 ILE A 24 -9.493 0.966 -2.829 1.00 0.29 H new ATOM 0 HG13 ILE A 24 -9.594 1.737 -4.400 1.00 0.29 H new ATOM 0 HG21 ILE A 24 -12.678 1.191 -2.421 1.00 0.30 H new ATOM 0 HG22 ILE A 24 -13.013 -0.454 -3.011 1.00 0.30 H new ATOM 0 HG23 ILE A 24 -11.654 -0.167 -1.898 1.00 0.30 H new ATOM 0 HD11 ILE A 24 -9.958 3.389 -2.588 1.00 0.29 H new ATOM 0 HD12 ILE A 24 -11.429 3.211 -3.574 1.00 0.29 H new ATOM 0 HD13 ILE A 24 -11.327 2.429 -1.979 1.00 0.29 H new ATOM 371 N TYR A 25 -12.249 -1.620 -6.028 1.00 0.20 N ATOM 372 CA TYR A 25 -13.284 -2.559 -6.542 1.00 0.22 C ATOM 373 C TYR A 25 -12.678 -3.960 -6.634 1.00 0.22 C ATOM 374 O TYR A 25 -13.293 -4.942 -6.266 1.00 0.27 O ATOM 375 CB TYR A 25 -13.749 -2.110 -7.929 1.00 0.25 C ATOM 376 CG TYR A 25 -14.711 -3.129 -8.492 1.00 0.32 C ATOM 377 CD1 TYR A 25 -16.089 -3.023 -8.221 1.00 0.44 C ATOM 378 CD2 TYR A 25 -14.229 -4.188 -9.285 1.00 0.41 C ATOM 379 CE1 TYR A 25 -16.985 -3.975 -8.745 1.00 0.56 C ATOM 380 CE2 TYR A 25 -15.125 -5.140 -9.808 1.00 0.52 C ATOM 381 CZ TYR A 25 -16.503 -5.034 -9.538 1.00 0.57 C ATOM 382 OH TYR A 25 -17.380 -5.967 -10.051 1.00 0.71 O ATOM 0 H TYR A 25 -12.005 -0.853 -6.654 1.00 0.20 H new ATOM 0 HA TYR A 25 -14.140 -2.568 -5.867 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -14.232 -1.135 -7.864 1.00 0.25 H new ATOM 0 HB3 TYR A 25 -12.892 -1.998 -8.593 1.00 0.25 H new ATOM 0 HD1 TYR A 25 -16.459 -2.212 -7.611 1.00 0.44 H new ATOM 0 HD2 TYR A 25 -13.172 -4.270 -9.492 1.00 0.41 H new ATOM 0 HE1 TYR A 25 -18.042 -3.893 -8.539 1.00 0.56 H new ATOM 0 HE2 TYR A 25 -14.755 -5.952 -10.417 1.00 0.52 H new ATOM 0 HH TYR A 25 -16.883 -6.629 -10.576 1.00 0.71 H new ATOM 392 N VAL A 26 -11.471 -4.054 -7.117 1.00 0.21 N ATOM 393 CA VAL A 26 -10.810 -5.385 -7.230 1.00 0.23 C ATOM 394 C VAL A 26 -10.364 -5.842 -5.839 1.00 0.22 C ATOM 395 O VAL A 26 -10.177 -7.017 -5.592 1.00 0.27 O ATOM 396 CB VAL A 26 -9.591 -5.270 -8.152 1.00 0.28 C ATOM 397 CG1 VAL A 26 -8.776 -6.564 -8.101 1.00 0.34 C ATOM 398 CG2 VAL A 26 -10.061 -5.024 -9.588 1.00 0.32 C ATOM 0 H VAL A 26 -10.912 -3.264 -7.440 1.00 0.21 H new ATOM 0 HA VAL A 26 -11.508 -6.112 -7.646 1.00 0.23 H new ATOM 0 HB VAL A 26 -8.968 -4.439 -7.821 1.00 0.28 H new ATOM 0 HG11 VAL A 26 -7.911 -6.475 -8.759 1.00 0.34 H new ATOM 0 HG12 VAL A 26 -8.439 -6.742 -7.080 1.00 0.34 H new ATOM 0 HG13 VAL A 26 -9.397 -7.398 -8.428 1.00 0.34 H new ATOM 0 HG21 VAL A 26 -9.195 -4.942 -10.245 1.00 0.32 H new ATOM 0 HG22 VAL A 26 -10.686 -5.855 -9.914 1.00 0.32 H new ATOM 0 HG23 VAL A 26 -10.637 -4.099 -9.629 1.00 0.32 H new ATOM 408 N ALA A 27 -10.198 -4.924 -4.926 1.00 0.22 N ATOM 409 CA ALA A 27 -9.772 -5.313 -3.554 1.00 0.23 C ATOM 410 C ALA A 27 -10.802 -6.279 -2.976 1.00 0.24 C ATOM 411 O ALA A 27 -10.484 -7.150 -2.194 1.00 0.27 O ATOM 412 CB ALA A 27 -9.679 -4.069 -2.668 1.00 0.28 C ATOM 0 H ALA A 27 -10.339 -3.924 -5.071 1.00 0.22 H new ATOM 0 HA ALA A 27 -8.794 -5.792 -3.593 1.00 0.23 H new ATOM 0 HB1 ALA A 27 -9.367 -4.359 -1.665 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -8.950 -3.376 -3.089 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -10.654 -3.584 -2.618 1.00 0.28 H new ATOM 418 N LYS A 28 -12.037 -6.134 -3.366 1.00 0.25 N ATOM 419 CA LYS A 28 -13.092 -7.048 -2.852 1.00 0.32 C ATOM 420 C LYS A 28 -12.895 -8.429 -3.478 1.00 0.30 C ATOM 421 O LYS A 28 -13.222 -9.442 -2.892 1.00 0.33 O ATOM 422 CB LYS A 28 -14.470 -6.497 -3.230 1.00 0.38 C ATOM 423 CG LYS A 28 -14.636 -5.088 -2.646 1.00 0.82 C ATOM 424 CD LYS A 28 -15.787 -4.367 -3.354 1.00 1.17 C ATOM 425 CE LYS A 28 -17.093 -5.134 -3.136 1.00 1.65 C ATOM 426 NZ LYS A 28 -17.224 -5.500 -1.697 1.00 2.37 N ATOM 0 H LYS A 28 -12.361 -5.421 -4.019 1.00 0.25 H new ATOM 0 HA LYS A 28 -13.025 -7.125 -1.767 1.00 0.32 H new ATOM 0 HB2 LYS A 28 -14.577 -6.468 -4.314 1.00 0.38 H new ATOM 0 HB3 LYS A 28 -15.253 -7.154 -2.851 1.00 0.38 H new ATOM 0 HG2 LYS A 28 -14.836 -5.149 -1.576 1.00 0.82 H new ATOM 0 HG3 LYS A 28 -13.712 -4.523 -2.766 1.00 0.82 H new ATOM 0 HD2 LYS A 28 -15.883 -3.351 -2.970 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -15.576 -4.286 -4.420 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -17.941 -4.523 -3.445 1.00 1.65 H new ATOM 0 HE3 LYS A 28 -17.106 -6.033 -3.753 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -18.225 -5.673 -1.473 1.00 2.37 H new ATOM 0 HZ2 LYS A 28 -16.672 -6.361 -1.506 1.00 2.37 H new ATOM 0 HZ3 LYS A 28 -16.866 -4.722 -1.107 1.00 2.37 H new ATOM 440 N LYS A 29 -12.353 -8.475 -4.666 1.00 0.28 N ATOM 441 CA LYS A 29 -12.123 -9.787 -5.334 1.00 0.31 C ATOM 442 C LYS A 29 -11.091 -10.586 -4.530 1.00 0.29 C ATOM 443 O LYS A 29 -10.773 -11.713 -4.852 1.00 0.33 O ATOM 444 CB LYS A 29 -11.603 -9.550 -6.758 1.00 0.34 C ATOM 445 CG LYS A 29 -11.808 -10.811 -7.601 1.00 1.08 C ATOM 446 CD LYS A 29 -11.270 -10.576 -9.013 1.00 1.40 C ATOM 447 CE LYS A 29 -11.755 -11.695 -9.937 1.00 1.94 C ATOM 448 NZ LYS A 29 -13.216 -11.534 -10.186 1.00 2.42 N ATOM 0 H LYS A 29 -12.060 -7.659 -5.203 1.00 0.28 H new ATOM 0 HA LYS A 29 -13.057 -10.346 -5.383 1.00 0.31 H new ATOM 0 HB2 LYS A 29 -12.128 -8.709 -7.211 1.00 0.34 H new ATOM 0 HB3 LYS A 29 -10.545 -9.288 -6.730 1.00 0.34 H new ATOM 0 HG2 LYS A 29 -11.295 -11.656 -7.141 1.00 1.08 H new ATOM 0 HG3 LYS A 29 -12.867 -11.065 -7.642 1.00 1.08 H new ATOM 0 HD2 LYS A 29 -11.608 -9.609 -9.386 1.00 1.40 H new ATOM 0 HD3 LYS A 29 -10.180 -10.548 -8.999 1.00 1.40 H new ATOM 0 HE2 LYS A 29 -11.209 -11.665 -10.880 1.00 1.94 H new ATOM 0 HE3 LYS A 29 -11.557 -12.667 -9.484 1.00 1.94 H new ATOM 0 HZ1 LYS A 29 -13.475 -12.026 -11.065 1.00 2.42 H new ATOM 0 HZ2 LYS A 29 -13.750 -11.940 -9.392 1.00 2.42 H new ATOM 0 HZ3 LYS A 29 -13.444 -10.523 -10.275 1.00 2.42 H new ATOM 462 N GLN A 30 -10.569 -10.006 -3.483 1.00 0.26 N ATOM 463 CA GLN A 30 -9.557 -10.717 -2.646 1.00 0.25 C ATOM 464 C GLN A 30 -9.669 -10.219 -1.205 1.00 0.24 C ATOM 465 O GLN A 30 -9.972 -10.970 -0.299 1.00 0.29 O ATOM 466 CB GLN A 30 -8.153 -10.422 -3.179 1.00 0.25 C ATOM 467 CG GLN A 30 -8.010 -10.993 -4.591 1.00 0.38 C ATOM 468 CD GLN A 30 -6.539 -10.953 -5.011 1.00 0.75 C ATOM 469 OE1 GLN A 30 -5.805 -11.895 -4.788 1.00 1.39 O ATOM 470 NE2 GLN A 30 -6.075 -9.893 -5.616 1.00 0.88 N ATOM 0 H GLN A 30 -10.801 -9.064 -3.169 1.00 0.26 H new ATOM 0 HA GLN A 30 -9.737 -11.791 -2.683 1.00 0.25 H new ATOM 0 HB2 GLN A 30 -7.976 -9.347 -3.191 1.00 0.25 H new ATOM 0 HB3 GLN A 30 -7.403 -10.861 -2.521 1.00 0.25 H new ATOM 0 HG2 GLN A 30 -8.380 -12.018 -4.619 1.00 0.38 H new ATOM 0 HG3 GLN A 30 -8.615 -10.417 -5.291 1.00 0.38 H new ATOM 0 HE21 GLN A 30 -6.691 -9.102 -5.803 1.00 0.88 H new ATOM 0 HE22 GLN A 30 -5.096 -9.856 -5.901 1.00 0.88 H new ATOM 479 N GLY A 31 -9.438 -8.951 -0.989 1.00 0.20 N ATOM 480 CA GLY A 31 -9.542 -8.387 0.390 1.00 0.24 C ATOM 481 C GLY A 31 -8.169 -8.389 1.064 1.00 0.20 C ATOM 482 O GLY A 31 -8.024 -8.826 2.189 1.00 0.21 O ATOM 0 H GLY A 31 -9.181 -8.278 -1.711 1.00 0.20 H new ATOM 0 HA2 GLY A 31 -9.933 -7.370 0.347 1.00 0.24 H new ATOM 0 HA3 GLY A 31 -10.246 -8.975 0.979 1.00 0.24 H new ATOM 486 N TRP A 32 -7.158 -7.898 0.396 1.00 0.18 N ATOM 487 CA TRP A 32 -5.804 -7.871 1.021 1.00 0.19 C ATOM 488 C TRP A 32 -5.911 -7.284 2.431 1.00 0.21 C ATOM 489 O TRP A 32 -6.628 -6.330 2.661 1.00 0.20 O ATOM 490 CB TRP A 32 -4.860 -7.000 0.190 1.00 0.21 C ATOM 491 CG TRP A 32 -4.911 -7.411 -1.245 1.00 0.20 C ATOM 492 CD1 TRP A 32 -4.647 -8.655 -1.707 1.00 0.22 C ATOM 493 CD2 TRP A 32 -5.192 -6.589 -2.414 1.00 0.20 C ATOM 494 NE1 TRP A 32 -4.775 -8.658 -3.086 1.00 0.24 N ATOM 495 CE2 TRP A 32 -5.105 -7.408 -3.571 1.00 0.22 C ATOM 496 CE3 TRP A 32 -5.522 -5.224 -2.582 1.00 0.21 C ATOM 497 CZ2 TRP A 32 -5.333 -6.891 -4.854 1.00 0.25 C ATOM 498 CZ3 TRP A 32 -5.750 -4.698 -3.872 1.00 0.23 C ATOM 499 CH2 TRP A 32 -5.657 -5.531 -5.005 1.00 0.25 C ATOM 0 H TRP A 32 -7.211 -7.517 -0.549 1.00 0.18 H new ATOM 0 HA TRP A 32 -5.412 -8.887 1.066 1.00 0.19 H new ATOM 0 HB2 TRP A 32 -5.141 -5.951 0.286 1.00 0.21 H new ATOM 0 HB3 TRP A 32 -3.841 -7.092 0.567 1.00 0.21 H new ATOM 0 HD1 TRP A 32 -4.380 -9.507 -1.099 1.00 0.22 H new ATOM 0 HE1 TRP A 32 -4.642 -9.482 -3.672 1.00 0.24 H new ATOM 0 HE3 TRP A 32 -5.600 -4.580 -1.718 1.00 0.21 H new ATOM 0 HZ2 TRP A 32 -5.260 -7.532 -5.720 1.00 0.25 H new ATOM 0 HZ3 TRP A 32 -5.997 -3.653 -3.991 1.00 0.23 H new ATOM 0 HH2 TRP A 32 -5.835 -5.125 -5.990 1.00 0.25 H new ATOM 510 N GLN A 33 -5.205 -7.841 3.376 1.00 0.28 N ATOM 511 CA GLN A 33 -5.271 -7.306 4.766 1.00 0.32 C ATOM 512 C GLN A 33 -5.110 -5.785 4.734 1.00 0.27 C ATOM 513 O GLN A 33 -4.012 -5.272 4.659 1.00 0.27 O ATOM 514 CB GLN A 33 -4.147 -7.921 5.603 1.00 0.42 C ATOM 515 CG GLN A 33 -4.223 -7.387 7.035 1.00 1.03 C ATOM 516 CD GLN A 33 -3.204 -8.121 7.908 1.00 1.59 C ATOM 517 OE1 GLN A 33 -3.554 -8.692 8.921 1.00 2.11 O ATOM 518 NE2 GLN A 33 -1.948 -8.130 7.555 1.00 2.02 N ATOM 0 H GLN A 33 -4.586 -8.642 3.247 1.00 0.28 H new ATOM 0 HA GLN A 33 -6.234 -7.560 5.209 1.00 0.32 H new ATOM 0 HB2 GLN A 33 -4.233 -9.008 5.604 1.00 0.42 H new ATOM 0 HB3 GLN A 33 -3.179 -7.679 5.165 1.00 0.42 H new ATOM 0 HG2 GLN A 33 -4.022 -6.316 7.046 1.00 1.03 H new ATOM 0 HG3 GLN A 33 -5.228 -7.527 7.434 1.00 1.03 H new ATOM 0 HE21 GLN A 33 -1.654 -7.650 6.704 1.00 2.02 H new ATOM 0 HE22 GLN A 33 -1.260 -8.617 8.130 1.00 2.02 H new ATOM 527 N ASN A 34 -6.200 -5.061 4.784 1.00 0.26 N ATOM 528 CA ASN A 34 -6.127 -3.566 4.752 1.00 0.22 C ATOM 529 C ASN A 34 -6.343 -3.010 6.162 1.00 0.23 C ATOM 530 O ASN A 34 -7.376 -3.213 6.768 1.00 0.29 O ATOM 531 CB ASN A 34 -7.221 -3.026 3.824 1.00 0.26 C ATOM 532 CG ASN A 34 -8.523 -3.790 4.074 1.00 0.35 C ATOM 533 OD1 ASN A 34 -9.054 -3.767 5.166 1.00 1.13 O ATOM 534 ND2 ASN A 34 -9.063 -4.471 3.100 1.00 1.15 N ATOM 0 H ASN A 34 -7.144 -5.443 4.846 1.00 0.26 H new ATOM 0 HA ASN A 34 -5.147 -3.259 4.387 1.00 0.22 H new ATOM 0 HB2 ASN A 34 -7.371 -1.961 4.002 1.00 0.26 H new ATOM 0 HB3 ASN A 34 -6.917 -3.135 2.783 1.00 0.26 H new ATOM 0 HD21 ASN A 34 -9.931 -4.984 3.256 1.00 1.15 H new ATOM 0 HD22 ASN A 34 -8.617 -4.490 2.183 1.00 1.15 H new ATOM 541 N ARG A 35 -5.379 -2.300 6.687 1.00 0.24 N ATOM 542 CA ARG A 35 -5.533 -1.721 8.054 1.00 0.30 C ATOM 543 C ARG A 35 -6.222 -0.359 7.948 1.00 0.31 C ATOM 544 O ARG A 35 -5.810 0.495 7.192 1.00 0.41 O ATOM 545 CB ARG A 35 -4.153 -1.545 8.694 1.00 0.37 C ATOM 546 CG ARG A 35 -4.311 -1.129 10.165 1.00 0.84 C ATOM 547 CD ARG A 35 -2.936 -0.764 10.771 1.00 1.15 C ATOM 548 NE ARG A 35 -2.789 -1.389 12.126 1.00 1.72 N ATOM 549 CZ ARG A 35 -3.746 -1.319 13.016 1.00 2.29 C ATOM 550 NH1 ARG A 35 -4.818 -0.614 12.781 1.00 2.64 N ATOM 551 NH2 ARG A 35 -3.615 -1.936 14.159 1.00 3.09 N ATOM 0 H ARG A 35 -4.491 -2.096 6.228 1.00 0.24 H new ATOM 0 HA ARG A 35 -6.134 -2.391 8.669 1.00 0.30 H new ATOM 0 HB2 ARG A 35 -3.590 -2.476 8.628 1.00 0.37 H new ATOM 0 HB3 ARG A 35 -3.584 -0.790 8.152 1.00 0.37 H new ATOM 0 HG2 ARG A 35 -4.986 -0.276 10.238 1.00 0.84 H new ATOM 0 HG3 ARG A 35 -4.762 -1.942 10.733 1.00 0.84 H new ATOM 0 HD2 ARG A 35 -2.137 -1.109 10.114 1.00 1.15 H new ATOM 0 HD3 ARG A 35 -2.840 0.319 10.849 1.00 1.15 H new ATOM 0 HE ARG A 35 -1.925 -1.879 12.359 1.00 1.72 H new ATOM 0 HH11 ARG A 35 -4.915 -0.112 11.898 1.00 2.64 H new ATOM 0 HH12 ARG A 35 -5.559 -0.565 13.480 1.00 2.64 H new ATOM 0 HH21 ARG A 35 -2.769 -2.470 14.356 1.00 3.09 H new ATOM 0 HH22 ARG A 35 -4.359 -1.884 14.855 1.00 3.09 H new ATOM 565 N THR A 36 -7.268 -0.142 8.702 1.00 0.35 N ATOM 566 CA THR A 36 -7.973 1.174 8.638 1.00 0.39 C ATOM 567 C THR A 36 -7.374 2.111 9.694 1.00 0.54 C ATOM 568 O THR A 36 -6.864 1.678 10.708 1.00 0.82 O ATOM 569 CB THR A 36 -9.483 0.965 8.902 1.00 0.52 C ATOM 570 OG1 THR A 36 -9.673 -0.271 9.575 1.00 1.21 O ATOM 571 CG2 THR A 36 -10.256 0.944 7.577 1.00 0.81 C ATOM 0 H THR A 36 -7.664 -0.816 9.357 1.00 0.35 H new ATOM 0 HA THR A 36 -7.849 1.617 7.650 1.00 0.39 H new ATOM 0 HB THR A 36 -9.854 1.786 9.516 1.00 0.52 H new ATOM 0 HG1 THR A 36 -10.628 -0.407 9.746 1.00 1.21 H new ATOM 0 HG21 THR A 36 -11.317 0.796 7.777 1.00 0.81 H new ATOM 0 HG22 THR A 36 -10.113 1.891 7.057 1.00 0.81 H new ATOM 0 HG23 THR A 36 -9.888 0.129 6.954 1.00 0.81 H new ATOM 579 N ARG A 37 -7.433 3.393 9.456 1.00 0.78 N ATOM 580 CA ARG A 37 -6.870 4.371 10.432 1.00 0.99 C ATOM 581 C ARG A 37 -7.684 5.665 10.365 1.00 1.04 C ATOM 582 O ARG A 37 -7.323 6.600 9.680 1.00 1.85 O ATOM 583 CB ARG A 37 -5.407 4.657 10.070 1.00 1.29 C ATOM 584 CG ARG A 37 -4.803 5.679 11.045 1.00 1.71 C ATOM 585 CD ARG A 37 -4.857 5.141 12.482 1.00 1.97 C ATOM 586 NE ARG A 37 -3.780 5.783 13.288 1.00 2.44 N ATOM 587 CZ ARG A 37 -3.811 5.714 14.590 1.00 3.03 C ATOM 588 NH1 ARG A 37 -4.785 5.083 15.187 1.00 3.43 N ATOM 589 NH2 ARG A 37 -2.869 6.277 15.296 1.00 3.67 N ATOM 0 H ARG A 37 -7.849 3.808 8.622 1.00 0.78 H new ATOM 0 HA ARG A 37 -6.918 3.964 11.442 1.00 0.99 H new ATOM 0 HB2 ARG A 37 -4.831 3.732 10.100 1.00 1.29 H new ATOM 0 HB3 ARG A 37 -5.346 5.038 9.050 1.00 1.29 H new ATOM 0 HG2 ARG A 37 -3.770 5.891 10.767 1.00 1.71 H new ATOM 0 HG3 ARG A 37 -5.349 6.620 10.981 1.00 1.71 H new ATOM 0 HD2 ARG A 37 -5.831 5.349 12.924 1.00 1.97 H new ATOM 0 HD3 ARG A 37 -4.731 4.058 12.482 1.00 1.97 H new ATOM 0 HE ARG A 37 -3.019 6.276 12.821 1.00 2.44 H new ATOM 0 HH11 ARG A 37 -5.522 4.644 14.635 1.00 3.43 H new ATOM 0 HH12 ARG A 37 -4.809 5.029 16.205 1.00 3.43 H new ATOM 0 HH21 ARG A 37 -2.108 6.771 14.830 1.00 3.67 H new ATOM 0 HH22 ARG A 37 -2.893 6.223 16.314 1.00 3.67 H new ATOM 603 N ALA A 38 -8.782 5.720 11.067 1.00 1.13 N ATOM 604 CA ALA A 38 -9.624 6.950 11.048 1.00 1.23 C ATOM 605 C ALA A 38 -8.960 8.040 11.892 1.00 1.38 C ATOM 606 O ALA A 38 -9.558 8.583 12.800 1.00 1.77 O ATOM 607 CB ALA A 38 -11.005 6.631 11.623 1.00 1.59 C ATOM 0 H ALA A 38 -9.134 4.964 11.655 1.00 1.13 H new ATOM 0 HA ALA A 38 -9.729 7.301 10.021 1.00 1.23 H new ATOM 0 HB1 ALA A 38 -11.621 7.530 11.609 1.00 1.59 H new ATOM 0 HB2 ALA A 38 -11.480 5.856 11.021 1.00 1.59 H new ATOM 0 HB3 ALA A 38 -10.899 6.279 12.649 1.00 1.59 H new ATOM 613 N GLY A 39 -7.724 8.362 11.606 1.00 1.48 N ATOM 614 CA GLY A 39 -7.015 9.416 12.397 1.00 1.83 C ATOM 615 C GLY A 39 -6.118 10.247 11.475 1.00 1.80 C ATOM 616 O GLY A 39 -5.437 11.153 11.913 1.00 2.21 O ATOM 0 H GLY A 39 -7.174 7.940 10.858 1.00 1.48 H new ATOM 0 HA2 GLY A 39 -7.741 10.062 12.891 1.00 1.83 H new ATOM 0 HA3 GLY A 39 -6.416 8.953 13.181 1.00 1.83 H new ATOM 620 N VAL A 40 -6.114 9.954 10.201 1.00 1.67 N ATOM 621 CA VAL A 40 -5.263 10.734 9.251 1.00 1.90 C ATOM 622 C VAL A 40 -6.101 11.874 8.663 1.00 1.97 C ATOM 623 O VAL A 40 -6.055 12.996 9.128 1.00 2.42 O ATOM 624 CB VAL A 40 -4.764 9.801 8.123 1.00 2.06 C ATOM 625 CG1 VAL A 40 -3.398 9.208 8.495 1.00 2.57 C ATOM 626 CG2 VAL A 40 -5.766 8.656 7.917 1.00 2.36 C ATOM 0 H VAL A 40 -6.664 9.207 9.776 1.00 1.67 H new ATOM 0 HA VAL A 40 -4.399 11.149 9.771 1.00 1.90 H new ATOM 0 HB VAL A 40 -4.670 10.381 7.205 1.00 2.06 H new ATOM 0 HG11 VAL A 40 -3.056 8.553 7.694 1.00 2.57 H new ATOM 0 HG12 VAL A 40 -2.678 10.014 8.637 1.00 2.57 H new ATOM 0 HG13 VAL A 40 -3.489 8.636 9.418 1.00 2.57 H new ATOM 0 HG21 VAL A 40 -5.411 8.001 7.122 1.00 2.36 H new ATOM 0 HG22 VAL A 40 -5.862 8.086 8.841 1.00 2.36 H new ATOM 0 HG23 VAL A 40 -6.737 9.067 7.642 1.00 2.36 H new ATOM 636 N LYS A 41 -6.868 11.594 7.649 1.00 1.90 N ATOM 637 CA LYS A 41 -7.712 12.656 7.033 1.00 2.23 C ATOM 638 C LYS A 41 -8.974 12.847 7.874 1.00 2.18 C ATOM 639 O LYS A 41 -9.114 13.818 8.592 1.00 2.53 O ATOM 640 CB LYS A 41 -8.103 12.239 5.614 1.00 2.61 C ATOM 641 CG LYS A 41 -8.826 13.396 4.921 1.00 3.06 C ATOM 642 CD LYS A 41 -9.015 13.065 3.439 1.00 3.62 C ATOM 643 CE LYS A 41 -9.662 14.255 2.725 1.00 4.28 C ATOM 644 NZ LYS A 41 -9.480 14.107 1.253 1.00 4.74 N ATOM 0 H LYS A 41 -6.948 10.673 7.218 1.00 1.90 H new ATOM 0 HA LYS A 41 -7.153 13.591 6.994 1.00 2.23 H new ATOM 0 HB2 LYS A 41 -7.214 11.961 5.048 1.00 2.61 H new ATOM 0 HB3 LYS A 41 -8.748 11.361 5.647 1.00 2.61 H new ATOM 0 HG2 LYS A 41 -9.794 13.569 5.392 1.00 3.06 H new ATOM 0 HG3 LYS A 41 -8.250 14.315 5.029 1.00 3.06 H new ATOM 0 HD2 LYS A 41 -8.053 12.833 2.982 1.00 3.62 H new ATOM 0 HD3 LYS A 41 -9.641 12.179 3.331 1.00 3.62 H new ATOM 0 HE2 LYS A 41 -10.723 14.306 2.968 1.00 4.28 H new ATOM 0 HE3 LYS A 41 -9.212 15.187 3.066 1.00 4.28 H new ATOM 0 HZ1 LYS A 41 -9.919 14.914 0.766 1.00 4.74 H new ATOM 0 HZ2 LYS A 41 -8.465 14.078 1.030 1.00 4.74 H new ATOM 0 HZ3 LYS A 41 -9.929 13.225 0.935 1.00 4.74 H new ATOM 658 N GLY A 42 -9.893 11.925 7.793 1.00 2.06 N ATOM 659 CA GLY A 42 -11.150 12.045 8.588 1.00 2.39 C ATOM 660 C GLY A 42 -12.270 11.266 7.896 1.00 1.77 C ATOM 661 O GLY A 42 -13.179 11.840 7.331 1.00 2.20 O ATOM 0 H GLY A 42 -9.828 11.091 7.209 1.00 2.06 H new ATOM 0 HA2 GLY A 42 -10.994 11.659 9.595 1.00 2.39 H new ATOM 0 HA3 GLY A 42 -11.430 13.094 8.688 1.00 2.39 H new ATOM 665 N GLY A 43 -12.214 9.962 7.935 1.00 1.48 N ATOM 666 CA GLY A 43 -13.281 9.155 7.278 1.00 1.63 C ATOM 667 C GLY A 43 -12.789 7.722 7.056 1.00 1.51 C ATOM 668 O GLY A 43 -12.949 7.162 5.990 1.00 2.20 O ATOM 0 H GLY A 43 -11.478 9.423 8.392 1.00 1.48 H new ATOM 0 HA2 GLY A 43 -14.178 9.149 7.897 1.00 1.63 H new ATOM 0 HA3 GLY A 43 -13.555 9.606 6.325 1.00 1.63 H new ATOM 672 N LYS A 44 -12.193 7.124 8.052 1.00 1.12 N ATOM 673 CA LYS A 44 -11.694 5.729 7.897 1.00 0.97 C ATOM 674 C LYS A 44 -10.817 5.640 6.647 1.00 0.81 C ATOM 675 O LYS A 44 -11.301 5.498 5.542 1.00 0.88 O ATOM 676 CB LYS A 44 -12.880 4.768 7.766 1.00 1.13 C ATOM 677 CG LYS A 44 -13.594 4.649 9.120 1.00 1.91 C ATOM 678 CD LYS A 44 -14.667 3.549 9.062 1.00 2.18 C ATOM 679 CE LYS A 44 -15.950 4.096 8.427 1.00 2.89 C ATOM 680 NZ LYS A 44 -16.447 5.251 9.227 1.00 3.30 N ATOM 0 H LYS A 44 -12.030 7.543 8.968 1.00 1.12 H new ATOM 0 HA LYS A 44 -11.107 5.454 8.773 1.00 0.97 H new ATOM 0 HB2 LYS A 44 -13.574 5.131 7.008 1.00 1.13 H new ATOM 0 HB3 LYS A 44 -12.533 3.788 7.438 1.00 1.13 H new ATOM 0 HG2 LYS A 44 -12.870 4.420 9.902 1.00 1.91 H new ATOM 0 HG3 LYS A 44 -14.054 5.602 9.381 1.00 1.91 H new ATOM 0 HD2 LYS A 44 -14.299 2.701 8.484 1.00 2.18 H new ATOM 0 HD3 LYS A 44 -14.877 3.182 10.067 1.00 2.18 H new ATOM 0 HE2 LYS A 44 -15.756 4.407 7.401 1.00 2.89 H new ATOM 0 HE3 LYS A 44 -16.709 3.315 8.385 1.00 2.89 H new ATOM 0 HZ1 LYS A 44 -17.484 5.293 9.168 1.00 3.30 H new ATOM 0 HZ2 LYS A 44 -16.161 5.134 10.220 1.00 3.30 H new ATOM 0 HZ3 LYS A 44 -16.043 6.133 8.852 1.00 3.30 H new ATOM 694 N ALA A 45 -9.526 5.723 6.820 1.00 0.69 N ATOM 695 CA ALA A 45 -8.598 5.645 5.653 1.00 0.67 C ATOM 696 C ALA A 45 -8.218 4.184 5.405 1.00 0.66 C ATOM 697 O ALA A 45 -7.789 3.489 6.300 1.00 1.13 O ATOM 698 CB ALA A 45 -7.336 6.457 5.957 1.00 0.75 C ATOM 0 H ALA A 45 -9.070 5.842 7.725 1.00 0.69 H new ATOM 0 HA ALA A 45 -9.087 6.049 4.766 1.00 0.67 H new ATOM 0 HB1 ALA A 45 -6.655 6.403 5.107 1.00 0.75 H new ATOM 0 HB2 ALA A 45 -7.607 7.497 6.139 1.00 0.75 H new ATOM 0 HB3 ALA A 45 -6.846 6.050 6.841 1.00 0.75 H new ATOM 704 N ILE A 46 -8.379 3.713 4.197 1.00 0.45 N ATOM 705 CA ILE A 46 -8.037 2.290 3.892 1.00 0.43 C ATOM 706 C ILE A 46 -6.555 2.181 3.515 1.00 0.56 C ATOM 707 O ILE A 46 -5.965 3.101 2.984 1.00 1.35 O ATOM 708 CB ILE A 46 -8.906 1.807 2.721 1.00 0.42 C ATOM 709 CG1 ILE A 46 -10.385 1.949 3.107 1.00 1.25 C ATOM 710 CG2 ILE A 46 -8.599 0.337 2.402 1.00 1.30 C ATOM 711 CD1 ILE A 46 -11.284 1.479 1.952 1.00 1.42 C ATOM 0 H ILE A 46 -8.733 4.252 3.406 1.00 0.45 H new ATOM 0 HA ILE A 46 -8.225 1.672 4.770 1.00 0.43 H new ATOM 0 HB ILE A 46 -8.690 2.410 1.839 1.00 0.42 H new ATOM 0 HG12 ILE A 46 -10.593 1.361 4.001 1.00 1.25 H new ATOM 0 HG13 ILE A 46 -10.607 2.988 3.350 1.00 1.25 H new ATOM 0 HG21 ILE A 46 -9.222 0.007 1.570 1.00 1.30 H new ATOM 0 HG22 ILE A 46 -7.548 0.235 2.131 1.00 1.30 H new ATOM 0 HG23 ILE A 46 -8.809 -0.277 3.278 1.00 1.30 H new ATOM 0 HD11 ILE A 46 -12.330 1.585 2.239 1.00 1.42 H new ATOM 0 HD12 ILE A 46 -11.087 2.085 1.068 1.00 1.42 H new ATOM 0 HD13 ILE A 46 -11.073 0.433 1.729 1.00 1.42 H new ATOM 723 N GLU A 47 -5.958 1.048 3.784 1.00 0.32 N ATOM 724 CA GLU A 47 -4.517 0.837 3.447 1.00 0.23 C ATOM 725 C GLU A 47 -4.346 -0.589 2.917 1.00 0.21 C ATOM 726 O GLU A 47 -5.253 -1.392 2.985 1.00 0.24 O ATOM 727 CB GLU A 47 -3.666 1.018 4.710 1.00 0.25 C ATOM 728 CG GLU A 47 -3.476 2.509 4.994 1.00 0.30 C ATOM 729 CD GLU A 47 -2.631 2.686 6.257 1.00 1.38 C ATOM 730 OE1 GLU A 47 -1.464 2.331 6.220 1.00 2.21 O ATOM 731 OE2 GLU A 47 -3.164 3.175 7.239 1.00 2.13 O ATOM 0 H GLU A 47 -6.413 0.250 4.228 1.00 0.32 H new ATOM 0 HA GLU A 47 -4.198 1.558 2.694 1.00 0.23 H new ATOM 0 HB2 GLU A 47 -4.150 0.535 5.559 1.00 0.25 H new ATOM 0 HB3 GLU A 47 -2.697 0.536 4.579 1.00 0.25 H new ATOM 0 HG2 GLU A 47 -2.988 2.992 4.147 1.00 0.30 H new ATOM 0 HG3 GLU A 47 -4.445 2.992 5.122 1.00 0.30 H new ATOM 738 N TYR A 48 -3.192 -0.908 2.387 1.00 0.19 N ATOM 739 CA TYR A 48 -2.954 -2.287 1.851 1.00 0.20 C ATOM 740 C TYR A 48 -1.574 -2.778 2.294 1.00 0.19 C ATOM 741 O TYR A 48 -0.582 -2.097 2.131 1.00 0.20 O ATOM 742 CB TYR A 48 -3.020 -2.252 0.323 1.00 0.22 C ATOM 743 CG TYR A 48 -4.396 -1.799 -0.105 1.00 0.21 C ATOM 744 CD1 TYR A 48 -5.499 -2.660 0.053 1.00 0.24 C ATOM 745 CD2 TYR A 48 -4.578 -0.517 -0.660 1.00 0.24 C ATOM 746 CE1 TYR A 48 -6.783 -2.240 -0.343 1.00 0.28 C ATOM 747 CE2 TYR A 48 -5.863 -0.098 -1.055 1.00 0.28 C ATOM 748 CZ TYR A 48 -6.965 -0.959 -0.897 1.00 0.29 C ATOM 749 OH TYR A 48 -8.223 -0.547 -1.285 1.00 0.35 O ATOM 0 H TYR A 48 -2.400 -0.271 2.301 1.00 0.19 H new ATOM 0 HA TYR A 48 -3.717 -2.965 2.234 1.00 0.20 H new ATOM 0 HB2 TYR A 48 -2.262 -1.574 -0.070 1.00 0.22 H new ATOM 0 HB3 TYR A 48 -2.806 -3.240 -0.085 1.00 0.22 H new ATOM 0 HD1 TYR A 48 -5.360 -3.643 0.478 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -3.733 0.144 -0.782 1.00 0.24 H new ATOM 0 HE1 TYR A 48 -7.629 -2.901 -0.222 1.00 0.28 H new ATOM 0 HE2 TYR A 48 -6.003 0.885 -1.480 1.00 0.28 H new ATOM 0 HH TYR A 48 -8.411 0.336 -0.903 1.00 0.35 H new ATOM 759 N ASN A 49 -1.499 -3.956 2.847 1.00 0.19 N ATOM 760 CA ASN A 49 -0.178 -4.484 3.292 1.00 0.20 C ATOM 761 C ASN A 49 0.616 -4.943 2.065 1.00 0.20 C ATOM 762 O ASN A 49 0.184 -5.798 1.318 1.00 0.20 O ATOM 763 CB ASN A 49 -0.395 -5.666 4.240 1.00 0.22 C ATOM 764 CG ASN A 49 0.950 -6.320 4.564 1.00 0.40 C ATOM 765 OD1 ASN A 49 1.990 -5.821 4.181 1.00 0.77 O ATOM 766 ND2 ASN A 49 0.974 -7.424 5.259 1.00 0.96 N ATOM 0 H ASN A 49 -2.293 -4.575 3.010 1.00 0.19 H new ATOM 0 HA ASN A 49 0.376 -3.704 3.814 1.00 0.20 H new ATOM 0 HB2 ASN A 49 -0.875 -5.326 5.157 1.00 0.22 H new ATOM 0 HB3 ASN A 49 -1.064 -6.395 3.781 1.00 0.22 H new ATOM 0 HD21 ASN A 49 1.865 -7.868 5.481 1.00 0.96 H new ATOM 0 HD22 ASN A 49 0.102 -7.843 5.581 1.00 0.96 H new ATOM 773 N ALA A 50 1.770 -4.373 1.849 1.00 0.22 N ATOM 774 CA ALA A 50 2.590 -4.765 0.666 1.00 0.24 C ATOM 775 C ALA A 50 2.817 -6.279 0.665 1.00 0.24 C ATOM 776 O ALA A 50 2.917 -6.898 -0.375 1.00 0.25 O ATOM 777 CB ALA A 50 3.940 -4.049 0.725 1.00 0.28 C ATOM 0 H ALA A 50 2.181 -3.652 2.441 1.00 0.22 H new ATOM 0 HA ALA A 50 2.062 -4.482 -0.245 1.00 0.24 H new ATOM 0 HB1 ALA A 50 4.541 -4.334 -0.139 1.00 0.28 H new ATOM 0 HB2 ALA A 50 3.781 -2.971 0.716 1.00 0.28 H new ATOM 0 HB3 ALA A 50 4.462 -4.331 1.639 1.00 0.28 H new ATOM 783 N ASN A 51 2.905 -6.880 1.819 1.00 0.25 N ATOM 784 CA ASN A 51 3.130 -8.352 1.875 1.00 0.27 C ATOM 785 C ASN A 51 1.870 -9.081 1.405 1.00 0.23 C ATOM 786 O ASN A 51 1.910 -10.238 1.036 1.00 0.24 O ATOM 787 CB ASN A 51 3.453 -8.764 3.313 1.00 0.31 C ATOM 788 CG ASN A 51 4.514 -7.824 3.887 1.00 1.35 C ATOM 789 OD1 ASN A 51 5.493 -7.522 3.233 1.00 2.21 O ATOM 790 ND2 ASN A 51 4.361 -7.345 5.091 1.00 2.11 N ATOM 0 H ASN A 51 2.831 -6.417 2.725 1.00 0.25 H new ATOM 0 HA ASN A 51 3.964 -8.616 1.225 1.00 0.27 H new ATOM 0 HB2 ASN A 51 2.551 -8.728 3.924 1.00 0.31 H new ATOM 0 HB3 ASN A 51 3.813 -9.793 3.336 1.00 0.31 H new ATOM 0 HD21 ASN A 51 5.063 -6.717 5.483 1.00 2.11 H new ATOM 0 HD22 ASN A 51 3.540 -7.598 5.640 1.00 2.11 H new ATOM 797 N SER A 52 0.748 -8.412 1.417 1.00 0.21 N ATOM 798 CA SER A 52 -0.521 -9.060 0.972 1.00 0.20 C ATOM 799 C SER A 52 -0.698 -8.865 -0.537 1.00 0.19 C ATOM 800 O SER A 52 -1.393 -9.617 -1.190 1.00 0.21 O ATOM 801 CB SER A 52 -1.696 -8.425 1.713 1.00 0.22 C ATOM 802 OG SER A 52 -1.521 -8.607 3.112 1.00 0.35 O ATOM 0 H SER A 52 0.655 -7.441 1.717 1.00 0.21 H new ATOM 0 HA SER A 52 -0.483 -10.127 1.192 1.00 0.20 H new ATOM 0 HB2 SER A 52 -1.758 -7.363 1.478 1.00 0.22 H new ATOM 0 HB3 SER A 52 -2.633 -8.879 1.390 1.00 0.22 H new ATOM 0 HG SER A 52 -2.344 -8.971 3.500 1.00 0.35 H new ATOM 808 N LEU A 53 -0.075 -7.862 -1.099 1.00 0.19 N ATOM 809 CA LEU A 53 -0.212 -7.629 -2.566 1.00 0.19 C ATOM 810 C LEU A 53 0.481 -8.782 -3.322 1.00 0.20 C ATOM 811 O LEU A 53 1.457 -9.314 -2.831 1.00 0.21 O ATOM 812 CB LEU A 53 0.471 -6.306 -2.933 1.00 0.20 C ATOM 813 CG LEU A 53 -0.121 -5.156 -2.110 1.00 0.20 C ATOM 814 CD1 LEU A 53 0.569 -3.849 -2.511 1.00 0.21 C ATOM 815 CD2 LEU A 53 -1.632 -5.039 -2.373 1.00 0.30 C ATOM 0 H LEU A 53 0.521 -7.196 -0.607 1.00 0.19 H new ATOM 0 HA LEU A 53 -1.267 -7.586 -2.838 1.00 0.19 H new ATOM 0 HB2 LEU A 53 1.543 -6.379 -2.750 1.00 0.20 H new ATOM 0 HB3 LEU A 53 0.342 -6.105 -3.997 1.00 0.20 H new ATOM 0 HG LEU A 53 0.038 -5.352 -1.050 1.00 0.20 H new ATOM 0 HD11 LEU A 53 0.154 -3.025 -1.930 1.00 0.21 H new ATOM 0 HD12 LEU A 53 1.639 -3.928 -2.316 1.00 0.21 H new ATOM 0 HD13 LEU A 53 0.406 -3.663 -3.573 1.00 0.21 H new ATOM 0 HD21 LEU A 53 -2.042 -4.219 -1.783 1.00 0.30 H new ATOM 0 HD22 LEU A 53 -1.803 -4.845 -3.432 1.00 0.30 H new ATOM 0 HD23 LEU A 53 -2.124 -5.970 -2.091 1.00 0.30 H new ATOM 827 N PRO A 54 -0.013 -9.144 -4.497 1.00 0.23 N ATOM 828 CA PRO A 54 0.611 -10.230 -5.278 1.00 0.26 C ATOM 829 C PRO A 54 2.086 -9.895 -5.543 1.00 0.27 C ATOM 830 O PRO A 54 2.655 -9.019 -4.923 1.00 0.45 O ATOM 831 CB PRO A 54 -0.201 -10.297 -6.595 1.00 0.30 C ATOM 832 CG PRO A 54 -1.276 -9.173 -6.537 1.00 0.30 C ATOM 833 CD PRO A 54 -1.198 -8.527 -5.136 1.00 0.26 C ATOM 0 HA PRO A 54 0.597 -11.188 -4.758 1.00 0.26 H new ATOM 0 HB2 PRO A 54 0.453 -10.159 -7.456 1.00 0.30 H new ATOM 0 HB3 PRO A 54 -0.672 -11.274 -6.706 1.00 0.30 H new ATOM 0 HG2 PRO A 54 -1.095 -8.429 -7.313 1.00 0.30 H new ATOM 0 HG3 PRO A 54 -2.270 -9.584 -6.715 1.00 0.30 H new ATOM 0 HD2 PRO A 54 -1.091 -7.445 -5.206 1.00 0.26 H new ATOM 0 HD3 PRO A 54 -2.103 -8.721 -4.561 1.00 0.26 H new ATOM 841 N VAL A 55 2.706 -10.588 -6.461 1.00 0.25 N ATOM 842 CA VAL A 55 4.140 -10.315 -6.771 1.00 0.25 C ATOM 843 C VAL A 55 4.232 -9.230 -7.845 1.00 0.23 C ATOM 844 O VAL A 55 5.103 -8.384 -7.814 1.00 0.23 O ATOM 845 CB VAL A 55 4.797 -11.593 -7.290 1.00 0.31 C ATOM 846 CG1 VAL A 55 6.301 -11.366 -7.453 1.00 0.33 C ATOM 847 CG2 VAL A 55 4.559 -12.729 -6.293 1.00 0.34 C ATOM 0 H VAL A 55 2.280 -11.334 -7.011 1.00 0.25 H new ATOM 0 HA VAL A 55 4.650 -9.979 -5.868 1.00 0.25 H new ATOM 0 HB VAL A 55 4.364 -11.857 -8.255 1.00 0.31 H new ATOM 0 HG11 VAL A 55 6.769 -12.278 -7.823 1.00 0.33 H new ATOM 0 HG12 VAL A 55 6.472 -10.557 -8.163 1.00 0.33 H new ATOM 0 HG13 VAL A 55 6.736 -11.101 -6.489 1.00 0.33 H new ATOM 0 HG21 VAL A 55 5.027 -13.641 -6.662 1.00 0.34 H new ATOM 0 HG22 VAL A 55 4.992 -12.463 -5.329 1.00 0.34 H new ATOM 0 HG23 VAL A 55 3.488 -12.893 -6.177 1.00 0.34 H new ATOM 857 N GLU A 56 3.342 -9.252 -8.799 1.00 0.23 N ATOM 858 CA GLU A 56 3.380 -8.226 -9.878 1.00 0.23 C ATOM 859 C GLU A 56 3.252 -6.831 -9.264 1.00 0.20 C ATOM 860 O GLU A 56 3.898 -5.894 -9.691 1.00 0.20 O ATOM 861 CB GLU A 56 2.222 -8.465 -10.849 1.00 0.25 C ATOM 862 CG GLU A 56 2.362 -9.853 -11.478 1.00 0.48 C ATOM 863 CD GLU A 56 1.255 -10.059 -12.513 1.00 1.43 C ATOM 864 OE1 GLU A 56 0.105 -9.828 -12.176 1.00 2.09 O ATOM 865 OE2 GLU A 56 1.575 -10.445 -13.625 1.00 2.23 O ATOM 0 H GLU A 56 2.590 -9.937 -8.878 1.00 0.23 H new ATOM 0 HA GLU A 56 4.326 -8.299 -10.415 1.00 0.23 H new ATOM 0 HB2 GLU A 56 1.270 -8.387 -10.323 1.00 0.25 H new ATOM 0 HB3 GLU A 56 2.221 -7.700 -11.626 1.00 0.25 H new ATOM 0 HG2 GLU A 56 3.339 -9.953 -11.951 1.00 0.48 H new ATOM 0 HG3 GLU A 56 2.301 -10.621 -10.707 1.00 0.48 H new ATOM 872 N ALA A 57 2.425 -6.684 -8.265 1.00 0.19 N ATOM 873 CA ALA A 57 2.261 -5.346 -7.628 1.00 0.19 C ATOM 874 C ALA A 57 3.404 -5.109 -6.641 1.00 0.21 C ATOM 875 O ALA A 57 3.897 -4.008 -6.503 1.00 0.26 O ATOM 876 CB ALA A 57 0.925 -5.293 -6.886 1.00 0.22 C ATOM 0 H ALA A 57 1.857 -7.430 -7.863 1.00 0.19 H new ATOM 0 HA ALA A 57 2.278 -4.573 -8.396 1.00 0.19 H new ATOM 0 HB1 ALA A 57 0.806 -4.315 -6.421 1.00 0.22 H new ATOM 0 HB2 ALA A 57 0.111 -5.461 -7.591 1.00 0.22 H new ATOM 0 HB3 ALA A 57 0.905 -6.065 -6.117 1.00 0.22 H new ATOM 882 N LYS A 58 3.833 -6.133 -5.954 1.00 0.31 N ATOM 883 CA LYS A 58 4.947 -5.958 -4.982 1.00 0.37 C ATOM 884 C LYS A 58 6.199 -5.499 -5.729 1.00 0.34 C ATOM 885 O LYS A 58 6.691 -4.408 -5.522 1.00 0.41 O ATOM 886 CB LYS A 58 5.228 -7.287 -4.279 1.00 0.49 C ATOM 887 CG LYS A 58 6.239 -7.062 -3.152 1.00 0.90 C ATOM 888 CD LYS A 58 6.601 -8.404 -2.505 1.00 0.96 C ATOM 889 CE LYS A 58 5.365 -9.017 -1.833 1.00 0.93 C ATOM 890 NZ LYS A 58 5.801 -9.964 -0.768 1.00 1.67 N ATOM 0 H LYS A 58 3.461 -7.080 -6.024 1.00 0.31 H new ATOM 0 HA LYS A 58 4.670 -5.210 -4.239 1.00 0.37 H new ATOM 0 HB2 LYS A 58 4.303 -7.700 -3.876 1.00 0.49 H new ATOM 0 HB3 LYS A 58 5.618 -8.013 -4.992 1.00 0.49 H new ATOM 0 HG2 LYS A 58 7.136 -6.584 -3.546 1.00 0.90 H new ATOM 0 HG3 LYS A 58 5.820 -6.388 -2.404 1.00 0.90 H new ATOM 0 HD2 LYS A 58 6.990 -9.087 -3.260 1.00 0.96 H new ATOM 0 HD3 LYS A 58 7.391 -8.260 -1.768 1.00 0.96 H new ATOM 0 HE2 LYS A 58 4.743 -8.231 -1.404 1.00 0.93 H new ATOM 0 HE3 LYS A 58 4.756 -9.538 -2.572 1.00 0.93 H new ATOM 0 HZ1 LYS A 58 4.965 -10.381 -0.311 1.00 1.67 H new ATOM 0 HZ2 LYS A 58 6.378 -10.719 -1.190 1.00 1.67 H new ATOM 0 HZ3 LYS A 58 6.365 -9.453 -0.059 1.00 1.67 H new ATOM 904 N ALA A 59 6.716 -6.321 -6.602 1.00 0.36 N ATOM 905 CA ALA A 59 7.935 -5.928 -7.365 1.00 0.38 C ATOM 906 C ALA A 59 7.744 -4.522 -7.938 1.00 0.31 C ATOM 907 O ALA A 59 8.630 -3.692 -7.881 1.00 0.37 O ATOM 908 CB ALA A 59 8.162 -6.918 -8.509 1.00 0.43 C ATOM 0 H ALA A 59 6.347 -7.247 -6.820 1.00 0.36 H new ATOM 0 HA ALA A 59 8.799 -5.937 -6.701 1.00 0.38 H new ATOM 0 HB1 ALA A 59 9.053 -6.631 -9.067 1.00 0.43 H new ATOM 0 HB2 ALA A 59 8.296 -7.920 -8.102 1.00 0.43 H new ATOM 0 HB3 ALA A 59 7.299 -6.909 -9.174 1.00 0.43 H new ATOM 914 N ALA A 60 6.592 -4.247 -8.486 1.00 0.24 N ATOM 915 CA ALA A 60 6.343 -2.894 -9.057 1.00 0.22 C ATOM 916 C ALA A 60 6.315 -1.866 -7.925 1.00 0.21 C ATOM 917 O ALA A 60 6.738 -0.739 -8.085 1.00 0.28 O ATOM 918 CB ALA A 60 4.999 -2.886 -9.788 1.00 0.26 C ATOM 0 H ALA A 60 5.813 -4.901 -8.563 1.00 0.24 H new ATOM 0 HA ALA A 60 7.137 -2.643 -9.760 1.00 0.22 H new ATOM 0 HB1 ALA A 60 4.818 -1.896 -10.205 1.00 0.26 H new ATOM 0 HB2 ALA A 60 5.018 -3.621 -10.593 1.00 0.26 H new ATOM 0 HB3 ALA A 60 4.202 -3.136 -9.087 1.00 0.26 H new ATOM 924 N LEU A 61 5.821 -2.247 -6.780 1.00 0.20 N ATOM 925 CA LEU A 61 5.770 -1.292 -5.638 1.00 0.26 C ATOM 926 C LEU A 61 7.199 -0.911 -5.242 1.00 0.31 C ATOM 927 O LEU A 61 7.585 0.239 -5.306 1.00 0.44 O ATOM 928 CB LEU A 61 5.056 -1.953 -4.449 1.00 0.30 C ATOM 929 CG LEU A 61 4.845 -0.931 -3.311 1.00 0.44 C ATOM 930 CD1 LEU A 61 3.582 -0.101 -3.570 1.00 0.93 C ATOM 931 CD2 LEU A 61 4.685 -1.673 -1.979 1.00 1.22 C ATOM 0 H LEU A 61 5.451 -3.177 -6.586 1.00 0.20 H new ATOM 0 HA LEU A 61 5.222 -0.396 -5.928 1.00 0.26 H new ATOM 0 HB2 LEU A 61 4.094 -2.352 -4.771 1.00 0.30 H new ATOM 0 HB3 LEU A 61 5.645 -2.795 -4.085 1.00 0.30 H new ATOM 0 HG LEU A 61 5.711 -0.270 -3.270 1.00 0.44 H new ATOM 0 HD11 LEU A 61 3.445 0.616 -2.760 1.00 0.93 H new ATOM 0 HD12 LEU A 61 3.685 0.434 -4.514 1.00 0.93 H new ATOM 0 HD13 LEU A 61 2.716 -0.762 -3.620 1.00 0.93 H new ATOM 0 HD21 LEU A 61 4.536 -0.951 -1.176 1.00 1.22 H new ATOM 0 HD22 LEU A 61 3.823 -2.338 -2.034 1.00 1.22 H new ATOM 0 HD23 LEU A 61 5.582 -2.259 -1.779 1.00 1.22 H new ATOM 943 N LEU A 62 7.988 -1.868 -4.833 1.00 0.49 N ATOM 944 CA LEU A 62 9.391 -1.559 -4.434 1.00 0.61 C ATOM 945 C LEU A 62 10.052 -0.702 -5.515 1.00 0.55 C ATOM 946 O LEU A 62 10.983 0.034 -5.255 1.00 0.65 O ATOM 947 CB LEU A 62 10.179 -2.862 -4.265 1.00 0.85 C ATOM 948 CG LEU A 62 9.356 -3.871 -3.457 1.00 0.70 C ATOM 949 CD1 LEU A 62 10.223 -5.090 -3.134 1.00 1.29 C ATOM 950 CD2 LEU A 62 8.879 -3.223 -2.152 1.00 1.06 C ATOM 0 H LEU A 62 7.722 -2.850 -4.758 1.00 0.49 H new ATOM 0 HA LEU A 62 9.385 -1.015 -3.489 1.00 0.61 H new ATOM 0 HB2 LEU A 62 10.423 -3.279 -5.242 1.00 0.85 H new ATOM 0 HB3 LEU A 62 11.124 -2.662 -3.759 1.00 0.85 H new ATOM 0 HG LEU A 62 8.490 -4.182 -4.042 1.00 0.70 H new ATOM 0 HD11 LEU A 62 9.640 -5.809 -2.559 1.00 1.29 H new ATOM 0 HD12 LEU A 62 10.559 -5.554 -4.062 1.00 1.29 H new ATOM 0 HD13 LEU A 62 11.089 -4.776 -2.551 1.00 1.29 H new ATOM 0 HD21 LEU A 62 8.294 -3.944 -1.580 1.00 1.06 H new ATOM 0 HD22 LEU A 62 9.742 -2.909 -1.565 1.00 1.06 H new ATOM 0 HD23 LEU A 62 8.261 -2.355 -2.381 1.00 1.06 H new ATOM 962 N LEU A 63 9.580 -0.794 -6.728 1.00 0.52 N ATOM 963 CA LEU A 63 10.184 0.015 -7.824 1.00 0.59 C ATOM 964 C LEU A 63 9.864 1.497 -7.606 1.00 0.61 C ATOM 965 O LEU A 63 10.746 2.332 -7.567 1.00 0.85 O ATOM 966 CB LEU A 63 9.611 -0.444 -9.173 1.00 0.66 C ATOM 967 CG LEU A 63 10.516 0.037 -10.329 1.00 0.85 C ATOM 968 CD1 LEU A 63 11.668 -0.952 -10.551 1.00 1.39 C ATOM 969 CD2 LEU A 63 9.695 0.135 -11.620 1.00 1.72 C ATOM 0 H LEU A 63 8.803 -1.393 -7.007 1.00 0.52 H new ATOM 0 HA LEU A 63 11.265 -0.123 -7.823 1.00 0.59 H new ATOM 0 HB2 LEU A 63 9.532 -1.531 -9.192 1.00 0.66 H new ATOM 0 HB3 LEU A 63 8.603 -0.049 -9.302 1.00 0.66 H new ATOM 0 HG LEU A 63 10.922 1.014 -10.068 1.00 0.85 H new ATOM 0 HD11 LEU A 63 12.297 -0.600 -11.368 1.00 1.39 H new ATOM 0 HD12 LEU A 63 12.263 -1.027 -9.641 1.00 1.39 H new ATOM 0 HD13 LEU A 63 11.263 -1.932 -10.801 1.00 1.39 H new ATOM 0 HD21 LEU A 63 10.336 0.475 -12.434 1.00 1.72 H new ATOM 0 HD22 LEU A 63 9.285 -0.845 -11.866 1.00 1.72 H new ATOM 0 HD23 LEU A 63 8.880 0.845 -11.480 1.00 1.72 H new ATOM 981 N ARG A 64 8.608 1.833 -7.473 1.00 0.58 N ATOM 982 CA ARG A 64 8.240 3.264 -7.270 1.00 0.83 C ATOM 983 C ARG A 64 8.559 3.696 -5.835 1.00 0.82 C ATOM 984 O ARG A 64 8.205 4.780 -5.414 1.00 1.05 O ATOM 985 CB ARG A 64 6.744 3.456 -7.544 1.00 1.08 C ATOM 986 CG ARG A 64 5.920 2.451 -6.723 1.00 0.84 C ATOM 987 CD ARG A 64 4.468 2.932 -6.625 1.00 0.94 C ATOM 988 NE ARG A 64 4.430 4.295 -6.025 1.00 1.35 N ATOM 989 CZ ARG A 64 3.359 5.029 -6.144 1.00 1.83 C ATOM 990 NH1 ARG A 64 2.322 4.569 -6.788 1.00 2.19 N ATOM 991 NH2 ARG A 64 3.325 6.224 -5.621 1.00 2.53 N ATOM 0 H ARG A 64 7.824 1.181 -7.496 1.00 0.58 H new ATOM 0 HA ARG A 64 8.819 3.877 -7.961 1.00 0.83 H new ATOM 0 HB2 ARG A 64 6.448 4.474 -7.289 1.00 1.08 H new ATOM 0 HB3 ARG A 64 6.541 3.321 -8.607 1.00 1.08 H new ATOM 0 HG2 ARG A 64 5.957 1.467 -7.191 1.00 0.84 H new ATOM 0 HG3 ARG A 64 6.346 2.345 -5.725 1.00 0.84 H new ATOM 0 HD2 ARG A 64 4.012 2.947 -7.615 1.00 0.94 H new ATOM 0 HD3 ARG A 64 3.886 2.240 -6.017 1.00 0.94 H new ATOM 0 HE ARG A 64 5.241 4.654 -5.521 1.00 1.35 H new ATOM 0 HH11 ARG A 64 2.349 3.635 -7.198 1.00 2.19 H new ATOM 0 HH12 ARG A 64 1.484 5.143 -6.881 1.00 2.19 H new ATOM 0 HH21 ARG A 64 4.136 6.584 -5.119 1.00 2.53 H new ATOM 0 HH22 ARG A 64 2.487 6.798 -5.714 1.00 2.53 H new ATOM 1005 N GLN A 65 9.224 2.864 -5.076 1.00 0.83 N ATOM 1006 CA GLN A 65 9.561 3.238 -3.671 1.00 0.87 C ATOM 1007 C GLN A 65 10.906 3.970 -3.650 1.00 1.12 C ATOM 1008 O GLN A 65 11.289 4.554 -2.656 1.00 1.59 O ATOM 1009 CB GLN A 65 9.651 1.967 -2.820 1.00 0.86 C ATOM 1010 CG GLN A 65 8.243 1.492 -2.450 1.00 1.19 C ATOM 1011 CD GLN A 65 7.660 2.412 -1.376 1.00 1.67 C ATOM 1012 OE1 GLN A 65 7.917 2.234 -0.202 1.00 2.34 O ATOM 1013 NE2 GLN A 65 6.880 3.397 -1.731 1.00 2.27 N ATOM 0 H GLN A 65 9.548 1.942 -5.369 1.00 0.83 H new ATOM 0 HA GLN A 65 8.788 3.892 -3.267 1.00 0.87 H new ATOM 0 HB2 GLN A 65 10.176 1.186 -3.370 1.00 0.86 H new ATOM 0 HB3 GLN A 65 10.228 2.163 -1.916 1.00 0.86 H new ATOM 0 HG2 GLN A 65 7.603 1.495 -3.332 1.00 1.19 H new ATOM 0 HG3 GLN A 65 8.278 0.466 -2.085 1.00 1.19 H new ATOM 0 HE21 GLN A 65 6.664 3.547 -2.717 1.00 2.27 H new ATOM 0 HE22 GLN A 65 6.487 4.017 -1.023 1.00 2.27 H new ATOM 1022 N GLY A 66 11.625 3.945 -4.739 1.00 1.76 N ATOM 1023 CA GLY A 66 12.943 4.641 -4.779 1.00 2.18 C ATOM 1024 C GLY A 66 12.791 6.059 -4.225 1.00 2.42 C ATOM 1025 O GLY A 66 12.105 6.887 -4.792 1.00 2.85 O ATOM 0 H GLY A 66 11.357 3.473 -5.603 1.00 1.76 H new ATOM 0 HA2 GLY A 66 13.676 4.087 -4.193 1.00 2.18 H new ATOM 0 HA3 GLY A 66 13.316 4.678 -5.803 1.00 2.18 H new ATOM 1029 N GLU A 67 13.422 6.346 -3.119 1.00 2.75 N ATOM 1030 CA GLU A 67 13.310 7.709 -2.529 1.00 3.26 C ATOM 1031 C GLU A 67 11.835 8.043 -2.299 1.00 3.34 C ATOM 1032 O GLU A 67 11.155 8.532 -3.179 1.00 3.92 O ATOM 1033 CB GLU A 67 13.924 8.733 -3.488 1.00 3.98 C ATOM 1034 CG GLU A 67 14.142 10.056 -2.752 1.00 4.61 C ATOM 1035 CD GLU A 67 14.556 11.136 -3.753 1.00 5.48 C ATOM 1036 OE1 GLU A 67 15.412 10.857 -4.575 1.00 6.11 O ATOM 1037 OE2 GLU A 67 14.009 12.224 -3.680 1.00 5.80 O ATOM 0 H GLU A 67 14.010 5.695 -2.599 1.00 2.75 H new ATOM 0 HA GLU A 67 13.842 7.740 -1.578 1.00 3.26 H new ATOM 0 HB2 GLU A 67 14.872 8.360 -3.876 1.00 3.98 H new ATOM 0 HB3 GLU A 67 13.267 8.885 -4.344 1.00 3.98 H new ATOM 0 HG2 GLU A 67 13.228 10.353 -2.238 1.00 4.61 H new ATOM 0 HG3 GLU A 67 14.912 9.937 -1.990 1.00 4.61 H new ATOM 1044 N ILE A 68 11.333 7.781 -1.121 1.00 3.29 N ATOM 1045 CA ILE A 68 9.901 8.081 -0.833 1.00 3.88 C ATOM 1046 C ILE A 68 9.764 9.541 -0.400 1.00 4.49 C ATOM 1047 O ILE A 68 9.348 10.388 -1.165 1.00 5.10 O ATOM 1048 CB ILE A 68 9.406 7.161 0.288 1.00 4.07 C ATOM 1049 CG1 ILE A 68 9.746 5.709 -0.063 1.00 3.79 C ATOM 1050 CG2 ILE A 68 7.890 7.305 0.446 1.00 4.93 C ATOM 1051 CD1 ILE A 68 9.274 4.779 1.059 1.00 3.81 C ATOM 0 H ILE A 68 11.854 7.372 -0.345 1.00 3.29 H new ATOM 0 HA ILE A 68 9.304 7.914 -1.729 1.00 3.88 H new ATOM 0 HB ILE A 68 9.892 7.437 1.224 1.00 4.07 H new ATOM 0 HG12 ILE A 68 9.269 5.431 -1.003 1.00 3.79 H new ATOM 0 HG13 ILE A 68 10.821 5.603 -0.208 1.00 3.79 H new ATOM 0 HG21 ILE A 68 7.543 6.649 1.244 1.00 4.93 H new ATOM 0 HG22 ILE A 68 7.647 8.338 0.694 1.00 4.93 H new ATOM 0 HG23 ILE A 68 7.399 7.031 -0.488 1.00 4.93 H new ATOM 0 HD11 ILE A 68 9.518 3.748 0.804 1.00 3.81 H new ATOM 0 HD12 ILE A 68 9.772 5.050 1.990 1.00 3.81 H new ATOM 0 HD13 ILE A 68 8.195 4.876 1.183 1.00 3.81 H new ATOM 1063 N GLU A 69 10.104 9.837 0.828 1.00 4.61 N ATOM 1064 CA GLU A 69 9.993 11.235 1.339 1.00 5.40 C ATOM 1065 C GLU A 69 11.262 11.578 2.138 1.00 5.45 C ATOM 1066 O GLU A 69 12.366 11.316 1.702 1.00 5.87 O ATOM 1067 CB GLU A 69 8.738 11.322 2.231 1.00 5.89 C ATOM 1068 CG GLU A 69 8.106 12.712 2.131 1.00 6.43 C ATOM 1069 CD GLU A 69 9.071 13.764 2.678 1.00 6.97 C ATOM 1070 OE1 GLU A 69 10.040 14.061 1.999 1.00 7.34 O ATOM 1071 OE2 GLU A 69 8.825 14.255 3.768 1.00 7.27 O ATOM 0 H GLU A 69 10.458 9.161 1.505 1.00 4.61 H new ATOM 0 HA GLU A 69 9.900 11.948 0.520 1.00 5.40 H new ATOM 0 HB2 GLU A 69 8.015 10.565 1.927 1.00 5.89 H new ATOM 0 HB3 GLU A 69 9.005 11.111 3.266 1.00 5.89 H new ATOM 0 HG2 GLU A 69 7.861 12.936 1.093 1.00 6.43 H new ATOM 0 HG3 GLU A 69 7.171 12.737 2.691 1.00 6.43 H new ATOM 1078 N THR A 70 11.119 12.159 3.300 1.00 5.42 N ATOM 1079 CA THR A 70 12.318 12.512 4.112 1.00 5.88 C ATOM 1080 C THR A 70 12.813 11.266 4.856 1.00 5.87 C ATOM 1081 O THR A 70 12.835 10.182 4.312 1.00 6.21 O ATOM 1082 CB THR A 70 11.942 13.614 5.113 1.00 6.60 C ATOM 1083 OG1 THR A 70 13.078 13.953 5.895 1.00 7.20 O ATOM 1084 CG2 THR A 70 10.810 13.130 6.027 1.00 6.98 C ATOM 0 H THR A 70 10.223 12.404 3.721 1.00 5.42 H new ATOM 0 HA THR A 70 13.114 12.876 3.463 1.00 5.88 H new ATOM 0 HB THR A 70 11.603 14.493 4.565 1.00 6.60 H new ATOM 0 HG1 THR A 70 12.838 14.658 6.532 1.00 7.20 H new ATOM 0 HG21 THR A 70 10.550 13.918 6.733 1.00 6.98 H new ATOM 0 HG22 THR A 70 9.937 12.881 5.424 1.00 6.98 H new ATOM 0 HG23 THR A 70 11.137 12.246 6.574 1.00 6.98 H new ATOM 1092 N SER A 71 13.212 11.412 6.093 1.00 5.88 N ATOM 1093 CA SER A 71 13.704 10.237 6.869 1.00 6.29 C ATOM 1094 C SER A 71 15.094 9.834 6.364 1.00 6.12 C ATOM 1095 O SER A 71 16.094 10.075 7.012 1.00 6.53 O ATOM 1096 CB SER A 71 12.719 9.067 6.719 1.00 6.71 C ATOM 1097 OG SER A 71 12.736 8.289 7.909 1.00 7.35 O ATOM 0 H SER A 71 13.218 12.297 6.600 1.00 5.88 H new ATOM 0 HA SER A 71 13.775 10.500 7.924 1.00 6.29 H new ATOM 0 HB2 SER A 71 11.714 9.444 6.530 1.00 6.71 H new ATOM 0 HB3 SER A 71 12.994 8.451 5.863 1.00 6.71 H new ATOM 0 HG SER A 71 12.108 7.542 7.820 1.00 7.35 H new ATOM 1103 N LEU A 72 15.165 9.224 5.212 1.00 5.84 N ATOM 1104 CA LEU A 72 16.490 8.805 4.658 1.00 6.03 C ATOM 1105 C LEU A 72 17.011 9.894 3.714 1.00 6.53 C ATOM 1106 O LEU A 72 17.742 9.624 2.782 1.00 6.81 O ATOM 1107 CB LEU A 72 16.332 7.478 3.895 1.00 5.97 C ATOM 1108 CG LEU A 72 14.967 7.428 3.200 1.00 5.71 C ATOM 1109 CD1 LEU A 72 14.803 8.643 2.282 1.00 5.88 C ATOM 1110 CD2 LEU A 72 14.876 6.146 2.367 1.00 5.83 C ATOM 0 H LEU A 72 14.361 8.996 4.627 1.00 5.84 H new ATOM 0 HA LEU A 72 17.201 8.664 5.472 1.00 6.03 H new ATOM 0 HB2 LEU A 72 17.128 7.377 3.157 1.00 5.97 H new ATOM 0 HB3 LEU A 72 16.428 6.639 4.585 1.00 5.97 H new ATOM 0 HG LEU A 72 14.178 7.440 3.952 1.00 5.71 H new ATOM 0 HD11 LEU A 72 13.830 8.600 1.792 1.00 5.88 H new ATOM 0 HD12 LEU A 72 14.872 9.557 2.872 1.00 5.88 H new ATOM 0 HD13 LEU A 72 15.590 8.638 1.528 1.00 5.88 H new ATOM 0 HD21 LEU A 72 13.907 6.103 1.869 1.00 5.83 H new ATOM 0 HD22 LEU A 72 15.669 6.141 1.619 1.00 5.83 H new ATOM 0 HD23 LEU A 72 14.987 5.280 3.019 1.00 5.83 H new ATOM 1122 N GLY A 73 16.638 11.122 3.948 1.00 6.95 N ATOM 1123 CA GLY A 73 17.109 12.225 3.064 1.00 7.69 C ATOM 1124 C GLY A 73 18.628 12.145 2.906 1.00 7.98 C ATOM 1125 O GLY A 73 19.197 12.712 1.994 1.00 8.65 O ATOM 0 H GLY A 73 16.028 11.409 4.713 1.00 6.95 H new ATOM 0 HA2 GLY A 73 16.628 12.153 2.089 1.00 7.69 H new ATOM 0 HA3 GLY A 73 16.828 13.189 3.488 1.00 7.69 H new ATOM 1129 N TYR A 74 19.292 11.444 3.785 1.00 7.69 N ATOM 1130 CA TYR A 74 20.775 11.328 3.683 1.00 8.26 C ATOM 1131 C TYR A 74 21.130 10.210 2.699 1.00 8.40 C ATOM 1132 O TYR A 74 22.184 9.613 2.782 1.00 8.85 O ATOM 1133 CB TYR A 74 21.354 10.999 5.060 1.00 8.55 C ATOM 1134 CG TYR A 74 20.725 11.903 6.096 1.00 8.98 C ATOM 1135 CD1 TYR A 74 20.902 13.297 6.010 1.00 9.28 C ATOM 1136 CD2 TYR A 74 19.960 11.355 7.146 1.00 9.37 C ATOM 1137 CE1 TYR A 74 20.316 14.143 6.971 1.00 9.96 C ATOM 1138 CE2 TYR A 74 19.374 12.201 8.107 1.00 10.02 C ATOM 1139 CZ TYR A 74 19.552 13.595 8.020 1.00 10.31 C ATOM 1140 OH TYR A 74 18.977 14.424 8.961 1.00 11.15 O ATOM 0 H TYR A 74 18.871 10.946 4.570 1.00 7.69 H new ATOM 0 HA TYR A 74 21.192 12.271 3.329 1.00 8.26 H new ATOM 0 HB2 TYR A 74 21.163 9.955 5.308 1.00 8.55 H new ATOM 0 HB3 TYR A 74 22.436 11.132 5.053 1.00 8.55 H new ATOM 0 HD1 TYR A 74 21.488 13.718 5.206 1.00 9.28 H new ATOM 0 HD2 TYR A 74 19.823 10.286 7.213 1.00 9.37 H new ATOM 0 HE1 TYR A 74 20.452 15.212 6.904 1.00 9.96 H new ATOM 0 HE2 TYR A 74 18.788 11.781 8.911 1.00 10.02 H new ATOM 0 HH TYR A 74 18.483 13.885 9.614 1.00 11.15 H new ATOM 1150 N PHE A 75 20.249 9.927 1.772 1.00 8.25 N ATOM 1151 CA PHE A 75 20.507 8.847 0.768 1.00 8.65 C ATOM 1152 C PHE A 75 21.163 7.640 1.446 1.00 8.49 C ATOM 1153 O PHE A 75 21.830 6.846 0.814 1.00 9.02 O ATOM 1154 CB PHE A 75 21.416 9.375 -0.348 1.00 9.35 C ATOM 1155 CG PHE A 75 22.686 9.938 0.241 1.00 9.97 C ATOM 1156 CD1 PHE A 75 23.805 9.104 0.428 1.00 10.40 C ATOM 1157 CD2 PHE A 75 22.755 11.298 0.597 1.00 10.36 C ATOM 1158 CE1 PHE A 75 24.992 9.630 0.973 1.00 11.16 C ATOM 1159 CE2 PHE A 75 23.941 11.825 1.142 1.00 11.12 C ATOM 1160 CZ PHE A 75 25.060 10.990 1.330 1.00 11.50 C ATOM 0 H PHE A 75 19.353 10.403 1.666 1.00 8.25 H new ATOM 0 HA PHE A 75 19.556 8.536 0.336 1.00 8.65 H new ATOM 0 HB2 PHE A 75 21.654 8.571 -1.045 1.00 9.35 H new ATOM 0 HB3 PHE A 75 20.896 10.146 -0.917 1.00 9.35 H new ATOM 0 HD1 PHE A 75 23.753 8.061 0.153 1.00 10.40 H new ATOM 0 HD2 PHE A 75 21.897 11.938 0.452 1.00 10.36 H new ATOM 0 HE1 PHE A 75 25.850 8.990 1.117 1.00 11.16 H new ATOM 0 HE2 PHE A 75 23.993 12.868 1.416 1.00 11.12 H new ATOM 0 HZ PHE A 75 25.970 11.393 1.748 1.00 11.50 H new ATOM 1170 N GLU A 76 20.973 7.496 2.730 1.00 8.00 N ATOM 1171 CA GLU A 76 21.579 6.340 3.451 1.00 8.20 C ATOM 1172 C GLU A 76 23.100 6.361 3.262 1.00 8.42 C ATOM 1173 O GLU A 76 23.640 5.682 2.412 1.00 8.57 O ATOM 1174 CB GLU A 76 20.999 5.033 2.887 1.00 8.41 C ATOM 1175 CG GLU A 76 21.146 3.906 3.916 1.00 8.63 C ATOM 1176 CD GLU A 76 22.628 3.672 4.217 1.00 9.10 C ATOM 1177 OE1 GLU A 76 23.334 3.242 3.319 1.00 9.14 O ATOM 1178 OE2 GLU A 76 23.030 3.923 5.341 1.00 9.64 O ATOM 1179 OXT GLU A 76 23.793 7.139 4.047 1.00 8.75 O ATOM 0 H GLU A 76 20.424 8.130 3.311 1.00 8.00 H new ATOM 0 HA GLU A 76 21.351 6.407 4.515 1.00 8.20 H new ATOM 0 HB2 GLU A 76 19.948 5.171 2.635 1.00 8.41 H new ATOM 0 HB3 GLU A 76 21.515 4.764 1.965 1.00 8.41 H new ATOM 0 HG2 GLU A 76 20.616 4.166 4.832 1.00 8.63 H new ATOM 0 HG3 GLU A 76 20.694 2.991 3.534 1.00 8.63 H new TER 1186 GLU A 76 END