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 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 9 H1 MET A 1 8.493 -7.231 7.420 1.00 2.71 H ATOM 10 H2 MET A 1 10.010 -7.152 8.179 1.00 2.71 H ATOM 11 H3 MET A 1 8.602 -6.762 9.046 1.00 2.77 H ATOM 12 HA MET A 1 9.690 -4.733 8.482 1.00 2.24 H ATOM 13 HB2 MET A 1 10.930 -5.821 6.536 1.00 2.81 H ATOM 14 HB3 MET A 1 9.462 -5.586 5.587 1.00 2.58 H ATOM 15 HG2 MET A 1 9.551 -3.157 6.069 1.00 2.82 H ATOM 16 HG3 MET A 1 11.043 -3.403 6.977 1.00 2.86 H ATOM 17 HE1 MET A 1 11.148 -1.310 4.968 1.00 3.27 H ATOM 18 HE2 MET A 1 11.442 -1.687 3.273 1.00 3.29 H ATOM 19 HE3 MET A 1 9.845 -1.959 3.963 1.00 3.40 H 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 29 H GLU A 2 8.232 -3.066 8.477 1.00 1.42 H ATOM 30 HA GLU A 2 5.459 -3.665 7.640 1.00 1.07 H ATOM 31 HB2 GLU A 2 6.708 -1.317 9.096 1.00 1.55 H ATOM 32 HB3 GLU A 2 4.992 -1.427 8.702 1.00 1.66 H ATOM 33 HG2 GLU A 2 4.924 -3.619 9.940 1.00 2.15 H ATOM 34 HG3 GLU A 2 6.579 -3.311 10.465 1.00 2.01 H 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 43 H LEU A 3 4.520 -2.812 5.825 1.00 0.82 H ATOM 44 HA LEU A 3 5.551 -0.397 4.556 1.00 0.44 H ATOM 45 HB2 LEU A 3 7.152 -2.152 3.758 1.00 0.46 H ATOM 46 HB3 LEU A 3 5.792 -3.034 3.075 1.00 0.40 H ATOM 47 HG LEU A 3 5.248 -0.919 1.738 1.00 0.44 H ATOM 48 HD11 LEU A 3 7.928 -0.159 2.907 1.00 1.23 H ATOM 49 HD12 LEU A 3 7.400 0.481 1.352 1.00 1.16 H ATOM 50 HD13 LEU A 3 6.457 0.807 2.802 1.00 1.12 H ATOM 51 HD21 LEU A 3 6.331 -2.924 0.772 1.00 1.16 H ATOM 52 HD22 LEU A 3 6.928 -1.442 0.026 1.00 1.07 H ATOM 53 HD23 LEU A 3 7.908 -2.282 1.228 1.00 1.15 H 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 68 H TRP A 4 3.199 -0.090 5.186 1.00 0.37 H ATOM 69 HA TRP A 4 1.215 -1.534 3.577 1.00 0.18 H ATOM 70 HB2 TRP A 4 0.918 0.896 5.370 1.00 0.25 H ATOM 71 HB3 TRP A 4 -0.410 -0.034 4.674 1.00 0.21 H ATOM 72 HD1 TRP A 4 2.614 -0.530 7.013 1.00 0.26 H ATOM 73 HE1 TRP A 4 2.058 -2.418 8.676 1.00 0.29 H ATOM 74 HE3 TRP A 4 -1.954 -1.966 5.208 1.00 0.19 H ATOM 75 HZ2 TRP A 4 -0.048 -4.299 9.180 1.00 0.29 H ATOM 76 HZ3 TRP A 4 -3.212 -3.809 6.298 1.00 0.22 H ATOM 77 HH2 TRP A 4 -2.266 -4.977 8.278 1.00 0.27 H 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 85 H VAL A 5 -0.255 -0.342 2.099 1.00 0.22 H ATOM 86 HA VAL A 5 0.990 2.073 0.842 1.00 0.32 H ATOM 87 HB VAL A 5 -0.112 -0.313 -0.671 1.00 0.37 H ATOM 88 HG11 VAL A 5 1.219 2.279 -1.479 1.00 1.04 H ATOM 89 HG12 VAL A 5 1.088 0.897 -2.567 1.00 1.17 H ATOM 90 HG13 VAL A 5 -0.368 1.679 -1.957 1.00 1.11 H ATOM 91 HG21 VAL A 5 2.029 -0.814 0.513 1.00 1.02 H ATOM 92 HG22 VAL A 5 2.208 -0.818 -1.240 1.00 1.13 H ATOM 93 HG23 VAL A 5 2.769 0.565 -0.300 1.00 1.05 H 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 100 H SER A 6 -0.541 3.385 -0.338 1.00 0.60 H ATOM 101 HA SER A 6 -3.324 3.076 0.667 1.00 0.20 H ATOM 102 HB2 SER A 6 -1.679 5.389 -0.330 1.00 0.26 H ATOM 103 HB3 SER A 6 -3.433 5.511 -0.296 1.00 0.23 H ATOM 104 HG SER A 6 -1.829 5.941 1.680 1.00 0.89 H 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 112 HA PRO A 7 -4.924 1.895 -3.297 1.00 0.18 H ATOM 113 HB2 PRO A 7 -7.047 3.893 -3.350 1.00 0.22 H ATOM 114 HB3 PRO A 7 -7.184 2.157 -3.044 1.00 0.22 H ATOM 115 HG2 PRO A 7 -7.369 4.311 -1.117 1.00 0.23 H ATOM 116 HG3 PRO A 7 -7.528 2.574 -0.818 1.00 0.21 H ATOM 117 HD2 PRO A 7 -5.344 4.261 -0.032 1.00 0.19 H ATOM 118 HD3 PRO A 7 -5.451 2.497 0.131 1.00 0.17 H 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 128 H LYS A 8 -4.818 5.430 -2.762 1.00 0.19 H ATOM 129 HA LYS A 8 -4.702 6.201 -5.491 1.00 0.20 H ATOM 130 HB2 LYS A 8 -3.415 8.232 -4.523 1.00 0.31 H ATOM 131 HB3 LYS A 8 -5.051 7.944 -3.931 1.00 0.34 H ATOM 132 HG2 LYS A 8 -4.273 6.993 -1.902 1.00 0.60 H ATOM 133 HG3 LYS A 8 -2.637 6.791 -2.529 1.00 0.64 H ATOM 134 HD2 LYS A 8 -2.420 9.271 -2.665 1.00 1.21 H ATOM 135 HD3 LYS A 8 -4.017 9.424 -1.930 1.00 1.15 H ATOM 136 HE2 LYS A 8 -3.246 8.272 0.078 1.00 2.00 H ATOM 137 HE3 LYS A 8 -1.669 7.988 -0.658 1.00 2.00 H ATOM 138 HZ1 LYS A 8 -2.045 10.669 -0.924 1.00 2.65 H ATOM 139 HZ2 LYS A 8 -2.686 10.340 0.615 1.00 2.60 H ATOM 140 HZ3 LYS A 8 -1.085 9.912 0.257 1.00 2.61 H 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 150 H GLU A 9 -2.239 4.832 -3.410 1.00 0.17 H ATOM 151 HA GLU A 9 -0.053 5.556 -5.245 1.00 0.20 H ATOM 152 HB2 GLU A 9 -0.203 3.851 -2.754 1.00 0.22 H ATOM 153 HB3 GLU A 9 1.273 4.014 -3.706 1.00 0.24 H ATOM 154 HG2 GLU A 9 -0.260 6.402 -2.655 1.00 0.95 H ATOM 155 HG3 GLU A 9 1.034 5.628 -1.740 1.00 0.90 H 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 164 H LEU A 10 -2.273 2.920 -4.772 1.00 0.15 H ATOM 165 HA LEU A 10 -0.680 0.998 -6.317 1.00 0.16 H ATOM 166 HB2 LEU A 10 -3.572 0.946 -5.400 1.00 0.16 H ATOM 167 HB3 LEU A 10 -2.739 -0.407 -6.157 1.00 0.16 H ATOM 168 HG LEU A 10 -1.865 0.927 -3.578 1.00 0.22 H ATOM 169 HD11 LEU A 10 -3.315 -1.697 -4.043 1.00 1.03 H ATOM 170 HD12 LEU A 10 -2.720 -1.120 -2.486 1.00 1.00 H ATOM 171 HD13 LEU A 10 -4.011 -0.252 -3.313 1.00 1.05 H ATOM 172 HD21 LEU A 10 -0.825 -1.377 -5.226 1.00 1.04 H ATOM 173 HD22 LEU A 10 0.074 -0.084 -4.437 1.00 1.03 H ATOM 174 HD23 LEU A 10 -0.605 -1.394 -3.478 1.00 1.03 H 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 180 H ALA A 11 -2.979 3.490 -6.929 1.00 0.16 H ATOM 181 HA ALA A 11 -4.064 2.574 -9.410 1.00 0.17 H ATOM 182 HB1 ALA A 11 -5.018 4.453 -8.132 1.00 1.00 H ATOM 183 HB2 ALA A 11 -3.576 5.413 -8.467 1.00 1.02 H ATOM 184 HB3 ALA A 11 -4.645 4.937 -9.786 1.00 1.08 H 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 193 H ASN A 12 -1.047 2.287 -9.235 1.00 0.17 H ATOM 194 HA ASN A 12 -0.472 3.555 -11.860 1.00 0.20 H ATOM 195 HB2 ASN A 12 1.404 3.819 -9.494 1.00 0.98 H ATOM 196 HB3 ASN A 12 1.621 4.508 -11.103 1.00 0.99 H ATOM 197 HD21 ASN A 12 -0.231 6.065 -11.797 1.00 2.36 H ATOM 198 HD22 ASN A 12 -0.886 7.061 -10.589 1.00 2.94 H 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 207 H LEU A 13 -0.210 0.867 -9.783 1.00 0.16 H ATOM 208 HA LEU A 13 2.236 -0.194 -10.962 1.00 0.21 H ATOM 209 HB2 LEU A 13 0.092 -1.726 -9.463 1.00 0.21 H ATOM 210 HB3 LEU A 13 1.774 -2.199 -9.681 1.00 0.20 H ATOM 211 HG LEU A 13 0.706 0.102 -8.025 1.00 0.22 H ATOM 212 HD11 LEU A 13 0.824 -2.311 -7.139 1.00 1.03 H ATOM 213 HD12 LEU A 13 2.575 -2.134 -7.218 1.00 1.07 H ATOM 214 HD13 LEU A 13 1.628 -1.074 -6.175 1.00 1.02 H ATOM 215 HD21 LEU A 13 3.502 -0.494 -9.006 1.00 1.01 H ATOM 216 HD22 LEU A 13 2.637 1.042 -9.027 1.00 1.05 H ATOM 217 HD23 LEU A 13 3.235 0.390 -7.503 1.00 1.06 H 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 225 HA PRO A 14 0.393 -1.717 -14.692 1.00 0.23 H ATOM 226 HB2 PRO A 14 1.800 -4.223 -14.808 1.00 0.27 H ATOM 227 HB3 PRO A 14 2.222 -2.717 -15.634 1.00 0.28 H ATOM 228 HG2 PRO A 14 3.500 -3.926 -13.286 1.00 0.27 H ATOM 229 HG3 PRO A 14 4.065 -2.572 -14.277 1.00 0.29 H ATOM 230 HD2 PRO A 14 3.006 -2.394 -11.642 1.00 0.24 H ATOM 231 HD3 PRO A 14 3.314 -1.041 -12.752 1.00 0.25 H 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 236 H GLY A 15 1.006 -4.626 -12.706 1.00 0.21 H ATOM 237 HA2 GLY A 15 -1.163 -6.169 -13.420 1.00 0.22 H ATOM 238 HA3 GLY A 15 -0.516 -6.173 -11.781 1.00 0.21 H 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 247 H LEU A 16 -1.207 -3.421 -11.190 1.00 0.16 H ATOM 248 HA LEU A 16 -4.099 -3.824 -10.683 1.00 0.17 H ATOM 249 HB2 LEU A 16 -2.323 -1.600 -9.653 1.00 0.16 H ATOM 250 HB3 LEU A 16 -3.849 -2.153 -8.972 1.00 0.16 H ATOM 251 HG LEU A 16 -1.279 -3.758 -9.098 1.00 0.20 H ATOM 252 HD11 LEU A 16 -1.438 -1.854 -7.430 1.00 1.01 H ATOM 253 HD12 LEU A 16 -2.786 -2.714 -6.688 1.00 1.02 H ATOM 254 HD13 LEU A 16 -1.182 -3.447 -6.718 1.00 1.03 H ATOM 255 HD21 LEU A 16 -4.090 -4.411 -8.190 1.00 1.05 H ATOM 256 HD22 LEU A 16 -3.041 -5.339 -9.262 1.00 0.98 H ATOM 257 HD23 LEU A 16 -2.695 -5.271 -7.536 1.00 1.06 H 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 265 HA PRO A 17 -5.363 -0.966 -13.840 1.00 0.19 H ATOM 266 HB2 PRO A 17 -7.269 0.475 -12.193 1.00 0.18 H ATOM 267 HB3 PRO A 17 -7.602 -0.765 -13.411 1.00 0.20 H ATOM 268 HG2 PRO A 17 -7.696 -1.028 -10.508 1.00 0.19 H ATOM 269 HG3 PRO A 17 -8.162 -2.220 -11.730 1.00 0.21 H ATOM 270 HD2 PRO A 17 -5.862 -2.331 -10.048 1.00 0.17 H ATOM 271 HD3 PRO A 17 -6.217 -3.390 -11.426 1.00 0.19 H 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 281 H LYS A 18 -5.717 1.583 -14.026 1.00 0.20 H ATOM 282 HA LYS A 18 -3.433 2.845 -12.587 1.00 0.18 H ATOM 283 HB2 LYS A 18 -5.011 4.047 -14.868 1.00 0.24 H ATOM 284 HB3 LYS A 18 -3.361 4.415 -14.361 1.00 0.25 H ATOM 285 HG2 LYS A 18 -2.812 1.971 -14.927 1.00 0.70 H ATOM 286 HG3 LYS A 18 -4.373 1.929 -15.748 1.00 0.59 H ATOM 287 HD2 LYS A 18 -3.687 3.839 -17.154 1.00 1.35 H ATOM 288 HD3 LYS A 18 -2.124 3.877 -16.338 1.00 1.40 H ATOM 289 HE2 LYS A 18 -3.151 1.401 -17.736 1.00 2.22 H ATOM 290 HE3 LYS A 18 -2.198 2.627 -18.572 1.00 2.09 H ATOM 291 HZ1 LYS A 18 -1.355 1.174 -16.123 1.00 2.50 H ATOM 292 HZ2 LYS A 18 -0.814 0.839 -17.698 1.00 2.63 H ATOM 293 HZ3 LYS A 18 -0.436 2.324 -16.964 1.00 2.66 H 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 301 H THR A 19 -6.569 2.467 -11.926 1.00 0.30 H ATOM 302 HA THR A 19 -6.815 5.191 -10.696 1.00 0.21 H ATOM 303 HB THR A 19 -9.063 5.395 -11.361 1.00 0.21 H ATOM 304 HG1 THR A 19 -9.942 3.391 -12.512 1.00 0.95 H ATOM 305 HG21 THR A 19 -7.419 5.586 -13.257 1.00 1.08 H ATOM 306 HG22 THR A 19 -7.793 3.914 -13.677 1.00 1.01 H ATOM 307 HG23 THR A 19 -9.050 5.148 -13.766 1.00 1.06 H 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 314 H SER A 20 -7.220 5.076 -8.545 1.00 0.21 H ATOM 315 HA SER A 20 -7.176 2.687 -7.070 1.00 0.23 H ATOM 316 HB2 SER A 20 -8.364 4.120 -5.271 1.00 0.97 H ATOM 317 HB3 SER A 20 -6.804 4.686 -5.858 1.00 0.83 H ATOM 318 HG SER A 20 -9.384 5.534 -6.694 1.00 1.63 H 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 324 H ALA A 21 -9.883 4.308 -8.616 1.00 0.18 H ATOM 325 HA ALA A 21 -12.048 3.058 -7.315 1.00 0.24 H ATOM 326 HB1 ALA A 21 -12.313 4.817 -9.039 1.00 1.02 H ATOM 327 HB2 ALA A 21 -11.785 3.676 -10.275 1.00 1.08 H ATOM 328 HB3 ALA A 21 -13.299 3.403 -9.411 1.00 1.04 H 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 333 H GLY A 22 -9.947 1.831 -9.888 1.00 0.24 H ATOM 334 HA2 GLY A 22 -11.448 -0.660 -10.148 1.00 0.19 H ATOM 335 HA3 GLY A 22 -9.889 -0.308 -10.896 1.00 0.18 H 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 343 H VAL A 23 -8.567 0.440 -8.411 1.00 0.16 H ATOM 344 HA VAL A 23 -7.683 -2.160 -7.566 1.00 0.19 H ATOM 345 HB VAL A 23 -7.334 0.477 -6.109 1.00 0.19 H ATOM 346 HG11 VAL A 23 -5.716 -2.091 -6.126 1.00 1.02 H ATOM 347 HG12 VAL A 23 -5.291 -0.622 -5.249 1.00 0.95 H ATOM 348 HG13 VAL A 23 -6.736 -1.526 -4.802 1.00 1.02 H ATOM 349 HG21 VAL A 23 -5.640 -0.810 -8.275 1.00 1.01 H ATOM 350 HG22 VAL A 23 -6.616 0.646 -8.467 1.00 1.00 H ATOM 351 HG23 VAL A 23 -5.222 0.655 -7.386 1.00 1.03 H 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 360 H ILE A 24 -9.563 0.337 -5.803 1.00 0.19 H ATOM 361 HA ILE A 24 -10.125 -1.271 -3.533 1.00 0.20 H ATOM 362 HB ILE A 24 -11.862 0.908 -4.747 1.00 0.22 H ATOM 363 HG12 ILE A 24 -9.515 0.969 -2.823 1.00 0.43 H ATOM 364 HG13 ILE A 24 -9.618 1.744 -4.401 1.00 0.41 H ATOM 365 HG21 ILE A 24 -12.903 -0.566 -2.944 1.00 0.98 H ATOM 366 HG22 ILE A 24 -11.637 0.001 -1.857 1.00 1.09 H ATOM 367 HG23 ILE A 24 -12.802 1.140 -2.531 1.00 1.10 H ATOM 368 HD11 ILE A 24 -11.652 3.017 -3.404 1.00 1.03 H ATOM 369 HD12 ILE A 24 -11.019 2.497 -1.842 1.00 1.06 H ATOM 370 HD13 ILE A 24 -10.036 3.509 -2.899 1.00 1.07 H 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 383 H TYR A 25 -11.954 -0.863 -6.577 1.00 0.21 H ATOM 384 HA TYR A 25 -14.124 -2.574 -5.866 1.00 0.23 H ATOM 385 HB2 TYR A 25 -14.243 -1.152 -7.851 1.00 0.28 H ATOM 386 HB3 TYR A 25 -12.895 -2.022 -8.585 1.00 0.27 H ATOM 387 HD1 TYR A 25 -16.458 -2.211 -7.613 1.00 0.51 H ATOM 388 HD2 TYR A 25 -13.173 -4.270 -9.493 1.00 0.46 H ATOM 389 HE1 TYR A 25 -18.041 -3.894 -8.537 1.00 0.68 H ATOM 390 HE2 TYR A 25 -14.755 -5.952 -10.417 1.00 0.63 H ATOM 391 HH TYR A 25 -17.804 -6.413 -9.314 1.00 1.04 H 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 399 H VAL A 26 -10.995 -3.247 -7.401 1.00 0.21 H ATOM 400 HA VAL A 26 -11.508 -6.102 -7.638 1.00 0.24 H ATOM 401 HB VAL A 26 -8.974 -4.444 -7.828 1.00 0.27 H ATOM 402 HG11 VAL A 26 -9.439 -7.411 -8.191 1.00 1.00 H ATOM 403 HG12 VAL A 26 -8.066 -6.575 -8.915 1.00 1.10 H ATOM 404 HG13 VAL A 26 -8.247 -6.619 -7.161 1.00 1.08 H ATOM 405 HG21 VAL A 26 -10.830 -4.267 -9.591 1.00 1.02 H ATOM 406 HG22 VAL A 26 -9.226 -4.692 -10.188 1.00 1.06 H ATOM 407 HG23 VAL A 26 -10.457 -5.941 -10.000 1.00 1.12 H 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 413 H ALA A 27 -10.360 -3.983 -5.141 1.00 0.23 H ATOM 414 HA ALA A 27 -8.807 -5.798 -3.600 1.00 0.26 H ATOM 415 HB1 ALA A 27 -9.065 -3.326 -3.155 1.00 1.04 H ATOM 416 HB2 ALA A 27 -10.668 -3.668 -2.506 1.00 1.04 H ATOM 417 HB3 ALA A 27 -9.238 -4.335 -1.719 1.00 1.07 H 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 427 H LYS A 28 -12.270 -5.428 -4.004 1.00 0.26 H ATOM 428 HA LYS A 28 -13.013 -7.123 -1.778 1.00 0.36 H ATOM 429 HB2 LYS A 28 -14.557 -6.456 -4.307 1.00 0.63 H ATOM 430 HB3 LYS A 28 -15.236 -7.143 -2.830 1.00 0.63 H ATOM 431 HG2 LYS A 28 -14.850 -5.160 -1.590 1.00 1.49 H ATOM 432 HG3 LYS A 28 -13.725 -4.527 -2.790 1.00 1.63 H ATOM 433 HD2 LYS A 28 -15.885 -3.368 -2.953 1.00 1.77 H ATOM 434 HD3 LYS A 28 -15.578 -4.310 -4.412 1.00 1.84 H ATOM 435 HE2 LYS A 28 -17.926 -4.512 -3.426 1.00 2.21 H ATOM 436 HE3 LYS A 28 -17.087 -6.031 -3.737 1.00 2.02 H ATOM 437 HZ1 LYS A 28 -16.621 -4.877 -1.124 1.00 2.63 H ATOM 438 HZ2 LYS A 28 -18.214 -5.389 -1.400 1.00 2.78 H ATOM 439 HZ3 LYS A 28 -16.929 -6.489 -1.563 1.00 2.95 H 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 449 H LYS A 29 -12.092 -7.645 -5.117 1.00 0.28 H ATOM 450 HA LYS A 29 -13.053 -10.335 -5.374 1.00 0.35 H ATOM 451 HB2 LYS A 29 -12.145 -8.728 -7.204 1.00 0.88 H ATOM 452 HB3 LYS A 29 -10.550 -9.309 -6.724 1.00 0.93 H ATOM 453 HG2 LYS A 29 -11.281 -11.637 -7.147 1.00 1.89 H ATOM 454 HG3 LYS A 29 -12.861 -11.041 -7.653 1.00 1.71 H ATOM 455 HD2 LYS A 29 -11.626 -9.625 -9.380 1.00 1.85 H ATOM 456 HD3 LYS A 29 -10.190 -10.574 -8.991 1.00 2.00 H ATOM 457 HE2 LYS A 29 -11.222 -11.645 -10.874 1.00 2.41 H ATOM 458 HE3 LYS A 29 -11.573 -12.652 -9.470 1.00 2.49 H ATOM 459 HZ1 LYS A 29 -13.494 -10.550 -9.998 1.00 2.82 H ATOM 460 HZ2 LYS A 29 -13.426 -11.771 -11.178 1.00 2.77 H ATOM 461 HZ3 LYS A 29 -13.747 -12.169 -9.558 1.00 2.83 H 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 471 H GLN A 30 -10.844 -9.096 -3.244 1.00 0.25 H ATOM 472 HA GLN A 30 -9.740 -11.782 -2.674 1.00 0.28 H ATOM 473 HB2 GLN A 30 -7.995 -9.353 -3.204 1.00 0.26 H ATOM 474 HB3 GLN A 30 -7.419 -10.879 -2.532 1.00 0.29 H ATOM 475 HG2 GLN A 30 -8.361 -12.015 -4.603 1.00 0.79 H ATOM 476 HG3 GLN A 30 -8.595 -10.402 -5.280 1.00 0.72 H ATOM 477 HE21 GLN A 30 -6.666 -9.133 -5.796 1.00 0.87 H ATOM 478 HE22 GLN A 30 -5.134 -9.858 -5.889 1.00 1.31 H 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 483 H GLY A 31 -9.204 -8.364 -1.738 1.00 0.18 H ATOM 484 HA2 GLY A 31 -9.909 -7.372 0.332 1.00 0.27 H ATOM 485 HA3 GLY A 31 -10.227 -8.981 0.979 1.00 0.28 H 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 500 H TRP A 32 -7.289 -7.543 -0.508 1.00 0.19 H ATOM 501 HA TRP A 32 -5.410 -8.876 1.078 1.00 0.20 H ATOM 502 HB2 TRP A 32 -5.161 -5.967 0.275 1.00 0.22 H ATOM 503 HB3 TRP A 32 -3.854 -7.108 0.559 1.00 0.24 H ATOM 504 HD1 TRP A 32 -4.398 -9.510 -1.098 1.00 0.24 H ATOM 505 HE1 TRP A 32 -4.646 -9.439 -3.664 1.00 0.28 H ATOM 506 HE3 TRP A 32 -5.595 -4.579 -1.719 1.00 0.23 H ATOM 507 HZ2 TRP A 32 -5.261 -7.532 -5.720 1.00 0.29 H ATOM 508 HZ3 TRP A 32 -5.999 -3.654 -3.991 1.00 0.26 H ATOM 509 HH2 TRP A 32 -5.830 -5.123 -5.989 1.00 0.27 H 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 519 H GLN A 33 -4.631 -8.608 3.172 1.00 0.33 H ATOM 520 HA GLN A 33 -6.225 -7.557 5.204 1.00 0.35 H ATOM 521 HB2 GLN A 33 -4.253 -8.996 5.613 1.00 0.97 H ATOM 522 HB3 GLN A 33 -3.193 -7.657 5.173 1.00 1.12 H ATOM 523 HG2 GLN A 33 -4.004 -6.329 7.037 1.00 1.48 H ATOM 524 HG3 GLN A 33 -5.215 -7.550 7.429 1.00 1.51 H ATOM 525 HE21 GLN A 33 -1.666 -7.669 6.737 1.00 2.11 H ATOM 526 HE22 GLN A 33 -1.287 -8.598 8.107 1.00 2.51 H 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 535 H ASN A 34 -7.073 -5.502 4.840 1.00 0.32 H ATOM 536 HA ASN A 34 -5.159 -3.250 4.388 1.00 0.20 H ATOM 537 HB2 ASN A 34 -7.377 -1.974 4.020 1.00 0.25 H ATOM 538 HB3 ASN A 34 -6.922 -3.158 2.795 1.00 0.28 H ATOM 539 HD21 ASN A 34 -8.634 -4.490 2.219 1.00 1.95 H ATOM 540 HD22 ASN A 34 -9.896 -4.964 3.251 1.00 1.18 H 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 552 H ARG A 35 -4.556 -2.142 6.178 1.00 0.23 H ATOM 553 HA ARG A 35 -6.131 -2.380 8.663 1.00 0.33 H ATOM 554 HB2 ARG A 35 -3.613 -2.478 8.642 1.00 0.79 H ATOM 555 HB3 ARG A 35 -3.605 -0.781 8.164 1.00 0.86 H ATOM 556 HG2 ARG A 35 -4.973 -0.277 10.220 1.00 1.55 H ATOM 557 HG3 ARG A 35 -4.740 -1.951 10.718 1.00 1.39 H ATOM 558 HD2 ARG A 35 -2.143 -1.143 10.146 1.00 1.54 H ATOM 559 HD3 ARG A 35 -2.843 0.317 10.838 1.00 1.79 H ATOM 560 HE ARG A 35 -1.970 -1.883 12.340 1.00 2.22 H ATOM 561 HH11 ARG A 35 -4.912 -0.119 11.922 1.00 2.48 H ATOM 562 HH12 ARG A 35 -5.546 -0.569 13.465 1.00 3.40 H ATOM 563 HH21 ARG A 35 -2.785 -2.459 14.352 1.00 3.36 H ATOM 564 HH22 ARG A 35 -4.344 -1.885 14.841 1.00 3.66 H 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 572 H THR A 36 -7.587 -0.841 9.310 1.00 0.44 H ATOM 573 HA THR A 36 -7.829 1.613 7.660 1.00 0.36 H ATOM 574 HB THR A 36 -9.867 1.768 9.517 1.00 0.89 H ATOM 575 HG1 THR A 36 -10.011 -0.906 8.939 1.00 1.61 H ATOM 576 HG21 THR A 36 -9.788 0.248 6.897 1.00 1.36 H ATOM 577 HG22 THR A 36 -11.276 0.640 7.760 1.00 1.30 H ATOM 578 HG23 THR A 36 -10.249 1.933 7.141 1.00 1.55 H 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 590 H ARG A 37 -7.848 3.716 8.629 1.00 1.02 H ATOM 591 HA ARG A 37 -6.925 3.962 11.431 1.00 1.15 H ATOM 592 HB2 ARG A 37 -4.842 3.738 10.119 1.00 1.64 H ATOM 593 HB3 ARG A 37 -5.359 5.053 9.066 1.00 1.46 H ATOM 594 HG2 ARG A 37 -3.773 5.862 10.773 1.00 2.33 H ATOM 595 HG3 ARG A 37 -5.354 6.605 10.988 1.00 2.13 H ATOM 596 HD2 ARG A 37 -5.817 5.373 12.920 1.00 2.26 H ATOM 597 HD3 ARG A 37 -4.711 4.070 12.479 1.00 2.37 H ATOM 598 HE ARG A 37 -3.049 6.256 12.839 1.00 2.72 H ATOM 599 HH11 ARG A 37 -5.506 4.651 14.646 1.00 3.27 H ATOM 600 HH12 ARG A 37 -4.809 5.030 16.186 1.00 4.16 H ATOM 601 HH21 ARG A 37 -2.122 6.761 14.838 1.00 3.80 H ATOM 602 HH22 ARG A 37 -2.892 6.225 16.294 1.00 4.25 H 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 608 H ALA A 38 -9.054 4.951 11.608 1.00 1.75 H ATOM 609 HA ALA A 38 -9.730 7.297 10.031 1.00 1.23 H ATOM 610 HB1 ALA A 38 -11.394 5.739 11.154 1.00 2.15 H ATOM 611 HB2 ALA A 38 -10.923 6.471 12.688 1.00 1.89 H ATOM 612 HB3 ALA A 38 -11.674 7.458 11.434 1.00 1.87 H 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 617 H GLY A 39 -7.261 7.908 10.875 1.00 1.59 H ATOM 618 HA2 GLY A 39 -7.736 10.067 12.874 1.00 2.04 H ATOM 619 HA3 GLY A 39 -6.404 8.945 13.152 1.00 2.11 H 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 627 H VAL A 40 -6.673 9.225 9.863 1.00 1.72 H ATOM 628 HA VAL A 40 -4.417 11.155 9.779 1.00 2.12 H ATOM 629 HB VAL A 40 -4.664 10.360 7.203 1.00 2.38 H ATOM 630 HG11 VAL A 40 -3.461 8.741 9.466 1.00 3.03 H ATOM 631 HG12 VAL A 40 -3.114 8.471 7.758 1.00 2.88 H ATOM 632 HG13 VAL A 40 -2.659 9.995 8.520 1.00 2.93 H ATOM 633 HG21 VAL A 40 -6.773 9.044 7.959 1.00 2.76 H ATOM 634 HG22 VAL A 40 -5.597 8.201 6.952 1.00 2.63 H ATOM 635 HG23 VAL A 40 -5.635 7.915 8.692 1.00 2.72 H 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 645 H LYS A 41 -6.892 10.682 7.293 1.00 1.90 H ATOM 646 HA LYS A 41 -7.160 13.582 6.998 1.00 2.57 H ATOM 647 HB2 LYS A 41 -7.213 11.984 5.056 1.00 2.93 H ATOM 648 HB3 LYS A 41 -8.759 11.382 5.658 1.00 2.93 H ATOM 649 HG2 LYS A 41 -9.790 13.546 5.384 1.00 3.28 H ATOM 650 HG3 LYS A 41 -8.237 14.296 5.015 1.00 3.37 H ATOM 651 HD2 LYS A 41 -8.053 12.856 2.992 1.00 3.78 H ATOM 652 HD3 LYS A 41 -9.653 12.200 3.342 1.00 3.91 H ATOM 653 HE2 LYS A 41 -10.716 14.283 2.956 1.00 4.57 H ATOM 654 HE3 LYS A 41 -9.196 15.172 3.054 1.00 4.62 H ATOM 655 HZ1 LYS A 41 -8.468 14.007 1.037 1.00 4.93 H ATOM 656 HZ2 LYS A 41 -9.987 13.262 0.923 1.00 4.97 H ATOM 657 HZ3 LYS A 41 -9.857 14.949 0.772 1.00 5.09 H 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 662 H GLY A 42 -9.756 11.152 7.208 1.00 2.01 H ATOM 663 HA2 GLY A 42 -10.988 11.643 9.578 1.00 2.94 H ATOM 664 HA3 GLY A 42 -11.435 13.084 8.663 1.00 3.00 H 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 669 H GLY A 43 -11.474 9.515 8.396 1.00 1.80 H ATOM 670 HA2 GLY A 43 -14.158 9.140 7.909 1.00 1.99 H ATOM 671 HA3 GLY A 43 -13.531 9.597 6.325 1.00 2.04 H 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 681 H LYS A 44 -12.071 7.593 8.903 1.00 1.45 H ATOM 682 HA LYS A 44 -11.107 5.461 8.764 1.00 0.95 H ATOM 683 HB2 LYS A 44 -13.568 5.146 7.025 1.00 1.55 H ATOM 684 HB3 LYS A 44 -12.520 3.797 7.462 1.00 1.42 H ATOM 685 HG2 LYS A 44 -12.870 4.400 9.883 1.00 2.39 H ATOM 686 HG3 LYS A 44 -14.059 5.593 9.364 1.00 2.50 H ATOM 687 HD2 LYS A 44 -14.305 2.716 8.478 1.00 2.38 H ATOM 688 HD3 LYS A 44 -14.885 3.212 10.065 1.00 2.40 H ATOM 689 HE2 LYS A 44 -15.745 4.418 7.418 1.00 3.27 H ATOM 690 HE3 LYS A 44 -16.701 3.321 8.411 1.00 3.44 H ATOM 691 HZ1 LYS A 44 -15.763 5.474 9.977 1.00 3.43 H ATOM 692 HZ2 LYS A 44 -16.561 6.079 8.608 1.00 3.56 H ATOM 693 HZ3 LYS A 44 -17.365 5.007 9.654 1.00 3.80 H 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 699 H ALA A 45 -9.166 5.836 7.724 1.00 0.73 H ATOM 700 HA ALA A 45 -9.081 6.047 4.773 1.00 0.73 H ATOM 701 HB1 ALA A 45 -6.997 6.233 6.958 1.00 1.34 H ATOM 702 HB2 ALA A 45 -6.563 6.201 5.248 1.00 1.28 H ATOM 703 HB3 ALA A 45 -7.561 7.511 5.881 1.00 1.22 H 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 712 H ILE A 46 -8.731 4.291 3.491 1.00 0.70 H ATOM 713 HA ILE A 46 -8.233 1.676 4.760 1.00 0.46 H ATOM 714 HB ILE A 46 -8.702 2.413 1.850 1.00 1.03 H ATOM 715 HG12 ILE A 46 -10.585 1.348 3.983 1.00 1.87 H ATOM 716 HG13 ILE A 46 -10.599 2.984 3.328 1.00 1.90 H ATOM 717 HG21 ILE A 46 -7.549 0.219 2.191 1.00 1.82 H ATOM 718 HG22 ILE A 46 -8.868 -0.279 3.248 1.00 1.89 H ATOM 719 HG23 ILE A 46 -9.169 0.029 1.539 1.00 1.90 H ATOM 720 HD11 ILE A 46 -10.828 1.735 1.006 1.00 1.75 H ATOM 721 HD12 ILE A 46 -11.416 0.408 2.010 1.00 1.91 H ATOM 722 HD13 ILE A 46 -12.247 1.962 2.028 1.00 1.79 H 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 732 H GLU A 47 -6.465 0.324 4.207 1.00 0.92 H ATOM 733 HA GLU A 47 -4.204 1.544 2.689 1.00 0.27 H ATOM 734 HB2 GLU A 47 -4.166 0.554 5.545 1.00 0.31 H ATOM 735 HB3 GLU A 47 -2.702 0.554 4.569 1.00 0.29 H ATOM 736 HG2 GLU A 47 -2.975 2.974 4.156 1.00 0.99 H ATOM 737 HG3 GLU A 47 -4.439 2.973 5.140 1.00 1.10 H 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 750 H TYR A 48 -2.477 -0.239 2.341 1.00 0.19 H ATOM 751 HA TYR A 48 -3.708 -2.967 2.226 1.00 0.22 H ATOM 752 HB2 TYR A 48 -2.276 -1.565 -0.054 1.00 0.26 H ATOM 753 HB3 TYR A 48 -2.829 -3.241 -0.068 1.00 0.25 H ATOM 754 HD1 TYR A 48 -5.360 -3.642 0.478 1.00 0.26 H ATOM 755 HD2 TYR A 48 -3.733 0.144 -0.781 1.00 0.27 H ATOM 756 HE1 TYR A 48 -7.629 -2.901 -0.222 1.00 0.33 H ATOM 757 HE2 TYR A 48 -6.002 0.884 -1.479 1.00 0.32 H ATOM 758 HH TYR A 48 -8.476 0.195 -0.730 1.00 0.97 H 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 767 H ASN A 49 -2.309 -4.495 2.968 1.00 0.20 H ATOM 768 HA ASN A 49 0.368 -3.705 3.805 1.00 0.20 H ATOM 769 HB2 ASN A 49 -0.854 -5.314 5.153 1.00 0.22 H ATOM 770 HB3 ASN A 49 -1.041 -6.391 3.769 1.00 0.26 H ATOM 771 HD21 ASN A 49 0.136 -7.827 5.568 1.00 1.44 H ATOM 772 HD22 ASN A 49 1.831 -7.850 5.472 1.00 1.06 H 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 778 H ALA A 50 2.095 -3.680 2.461 1.00 0.23 H ATOM 779 HA ALA A 50 2.073 -4.479 -0.238 1.00 0.24 H ATOM 780 HB1 ALA A 50 4.445 -4.308 1.643 1.00 1.06 H ATOM 781 HB2 ALA A 50 4.545 -4.353 -0.117 1.00 1.09 H ATOM 782 HB3 ALA A 50 3.784 -2.981 0.689 1.00 1.01 H 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 791 H ASN A 51 2.825 -6.364 2.649 1.00 0.27 H ATOM 792 HA ASN A 51 3.957 -8.614 1.231 1.00 0.29 H ATOM 793 HB2 ASN A 51 2.556 -8.707 3.913 1.00 0.99 H ATOM 794 HB3 ASN A 51 3.829 -9.776 3.322 1.00 1.02 H ATOM 795 HD21 ASN A 51 3.571 -7.588 5.618 1.00 2.33 H ATOM 796 HD22 ASN A 51 5.035 -6.741 5.467 1.00 2.86 H 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 803 H SER A 52 0.740 -7.480 1.719 1.00 0.22 H ATOM 804 HA SER A 52 -0.489 -10.117 1.195 1.00 0.22 H ATOM 805 HB2 SER A 52 -1.735 -7.372 1.495 1.00 0.19 H ATOM 806 HB3 SER A 52 -2.616 -8.894 1.391 1.00 0.25 H ATOM 807 HG SER A 52 -1.185 -9.495 3.256 1.00 0.94 H 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 816 H LEU A 53 0.483 -7.266 -0.557 1.00 0.19 H ATOM 817 HA LEU A 53 -1.255 -7.583 -2.816 1.00 0.21 H ATOM 818 HB2 LEU A 53 1.529 -6.383 -2.728 1.00 0.24 H ATOM 819 HB3 LEU A 53 0.327 -6.102 -3.982 1.00 0.25 H ATOM 820 HG LEU A 53 0.050 -5.343 -1.059 1.00 0.23 H ATOM 821 HD11 LEU A 53 1.640 -3.986 -2.489 1.00 1.02 H ATOM 822 HD12 LEU A 53 0.262 -3.574 -3.510 1.00 1.03 H ATOM 823 HD13 LEU A 53 0.290 -3.068 -1.821 1.00 1.07 H ATOM 824 HD21 LEU A 53 -1.839 -5.252 -3.412 1.00 1.07 H ATOM 825 HD22 LEU A 53 -2.161 -5.742 -1.749 1.00 1.09 H ATOM 826 HD23 LEU A 53 -1.966 -4.036 -2.142 1.00 1.03 H 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 834 HA PRO A 54 0.531 -11.166 -4.744 1.00 0.28 H ATOM 835 HB2 PRO A 54 0.451 -10.145 -7.449 1.00 0.31 H ATOM 836 HB3 PRO A 54 -0.688 -11.259 -6.681 1.00 0.34 H ATOM 837 HG2 PRO A 54 -1.072 -8.430 -7.300 1.00 0.31 H ATOM 838 HG3 PRO A 54 -2.261 -9.592 -6.694 1.00 0.34 H ATOM 839 HD2 PRO A 54 -1.075 -7.457 -5.218 1.00 0.25 H ATOM 840 HD3 PRO A 54 -2.088 -8.762 -4.569 1.00 0.27 H 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 848 H VAL A 55 2.227 -11.291 -6.949 1.00 0.38 H ATOM 849 HA VAL A 55 4.652 -9.984 -5.878 1.00 0.25 H ATOM 850 HB VAL A 55 4.366 -11.853 -8.246 1.00 0.32 H ATOM 851 HG11 VAL A 55 6.714 -11.008 -6.522 1.00 1.08 H ATOM 852 HG12 VAL A 55 6.778 -12.296 -7.725 1.00 1.05 H ATOM 853 HG13 VAL A 55 6.472 -10.633 -8.228 1.00 1.07 H ATOM 854 HG21 VAL A 55 4.942 -12.444 -5.324 1.00 1.08 H ATOM 855 HG22 VAL A 55 3.500 -12.926 -6.217 1.00 1.07 H ATOM 856 HG23 VAL A 55 5.067 -13.619 -6.633 1.00 1.06 H 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 866 H GLU A 56 2.650 -9.945 -8.807 1.00 0.25 H ATOM 867 HA GLU A 56 4.317 -8.300 -10.411 1.00 0.25 H ATOM 868 HB2 GLU A 56 1.286 -8.403 -10.313 1.00 0.42 H ATOM 869 HB3 GLU A 56 2.243 -7.716 -11.626 1.00 0.35 H ATOM 870 HG2 GLU A 56 3.326 -9.934 -11.959 1.00 0.94 H ATOM 871 HG3 GLU A 56 2.278 -10.606 -10.709 1.00 1.06 H 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 877 H ALA A 57 1.914 -7.452 -7.934 1.00 0.20 H ATOM 878 HA ALA A 57 2.279 -4.579 -8.389 1.00 0.19 H ATOM 879 HB1 ALA A 57 0.786 -6.207 -6.330 1.00 1.02 H ATOM 880 HB2 ALA A 57 0.922 -4.454 -6.206 1.00 0.97 H ATOM 881 HB3 ALA A 57 0.123 -5.180 -7.600 1.00 1.01 H 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 891 H LYS A 58 3.424 -7.014 -6.080 1.00 0.40 H ATOM 892 HA LYS A 58 4.671 -5.214 -4.248 1.00 0.39 H ATOM 893 HB2 LYS A 58 4.308 -7.675 -3.867 1.00 0.99 H ATOM 894 HB3 LYS A 58 5.632 -7.993 -4.989 1.00 0.94 H ATOM 895 HG2 LYS A 58 7.132 -6.607 -3.557 1.00 1.71 H ATOM 896 HG3 LYS A 58 5.810 -6.410 -2.407 1.00 1.69 H ATOM 897 HD2 LYS A 58 6.969 -9.080 -3.264 1.00 1.70 H ATOM 898 HD3 LYS A 58 7.369 -8.248 -1.763 1.00 1.70 H ATOM 899 HE2 LYS A 58 4.761 -8.236 -1.392 1.00 1.30 H ATOM 900 HE3 LYS A 58 4.781 -9.551 -2.569 1.00 1.45 H ATOM 901 HZ1 LYS A 58 6.445 -9.476 -0.113 1.00 2.16 H ATOM 902 HZ2 LYS A 58 4.968 -10.306 -0.247 1.00 2.15 H ATOM 903 HZ3 LYS A 58 6.296 -10.769 -1.201 1.00 2.09 H 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 909 H ALA A 59 6.301 -7.195 -6.757 1.00 0.43 H ATOM 910 HA ALA A 59 8.791 -5.935 -6.707 1.00 0.42 H ATOM 911 HB1 ALA A 59 8.282 -7.913 -8.106 1.00 1.09 H ATOM 912 HB2 ALA A 59 7.311 -6.901 -9.175 1.00 1.18 H ATOM 913 HB3 ALA A 59 9.051 -6.641 -9.055 1.00 1.06 H 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 919 H ALA A 60 5.889 -4.929 -8.519 1.00 0.26 H ATOM 920 HA ALA A 60 7.132 -2.644 -9.750 1.00 0.29 H ATOM 921 HB1 ALA A 60 4.982 -3.680 -10.519 1.00 1.00 H ATOM 922 HB2 ALA A 60 4.201 -3.034 -9.076 1.00 1.10 H ATOM 923 HB3 ALA A 60 4.865 -1.936 -10.285 1.00 1.04 H 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 932 H LEU A 61 5.488 -3.161 -6.671 1.00 0.20 H ATOM 933 HA LEU A 61 5.234 -0.406 -5.938 1.00 0.31 H ATOM 934 HB2 LEU A 61 4.097 -2.334 -4.776 1.00 0.38 H ATOM 935 HB3 LEU A 61 5.658 -2.774 -4.088 1.00 0.36 H ATOM 936 HG LEU A 61 5.697 -0.271 -3.250 1.00 1.14 H ATOM 937 HD11 LEU A 61 2.738 -0.760 -3.709 1.00 1.50 H ATOM 938 HD12 LEU A 61 3.399 0.544 -2.724 1.00 1.63 H ATOM 939 HD13 LEU A 61 3.718 0.502 -4.454 1.00 1.45 H ATOM 940 HD21 LEU A 61 5.570 -2.262 -1.787 1.00 1.84 H ATOM 941 HD22 LEU A 61 4.550 -0.957 -1.182 1.00 1.78 H ATOM 942 HD23 LEU A 61 3.824 -2.324 -2.030 1.00 1.73 H 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 951 H LEU A 62 7.657 -2.789 -4.790 1.00 0.65 H ATOM 952 HA LEU A 62 9.388 -1.018 -3.500 1.00 0.68 H ATOM 953 HB2 LEU A 62 10.399 -3.276 -5.238 1.00 1.33 H ATOM 954 HB3 LEU A 62 11.103 -2.658 -3.745 1.00 1.29 H ATOM 955 HG LEU A 62 8.502 -4.185 -4.038 1.00 0.74 H ATOM 956 HD11 LEU A 62 11.105 -4.772 -2.599 1.00 1.88 H ATOM 957 HD12 LEU A 62 9.660 -5.780 -2.523 1.00 1.72 H ATOM 958 HD13 LEU A 62 10.515 -5.577 -4.052 1.00 1.65 H ATOM 959 HD21 LEU A 62 9.689 -2.660 -1.711 1.00 1.64 H ATOM 960 HD22 LEU A 62 8.052 -2.561 -2.360 1.00 1.60 H ATOM 961 HD23 LEU A 62 8.559 -3.991 -1.463 1.00 1.48 H 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 970 H LEU A 63 8.830 -1.395 -6.918 1.00 0.54 H ATOM 971 HA LEU A 63 11.253 -0.123 -7.820 1.00 0.73 H ATOM 972 HB2 LEU A 63 9.547 -1.523 -9.184 1.00 1.01 H ATOM 973 HB3 LEU A 63 8.620 -0.030 -9.297 1.00 1.15 H ATOM 974 HG LEU A 63 10.922 1.010 -10.089 1.00 1.67 H ATOM 975 HD11 LEU A 63 11.271 -1.946 -10.691 1.00 2.05 H ATOM 976 HD12 LEU A 63 12.224 -0.662 -11.430 1.00 1.89 H ATOM 977 HD13 LEU A 63 12.325 -0.945 -9.695 1.00 1.84 H ATOM 978 HD21 LEU A 63 9.202 -0.807 -11.806 1.00 2.20 H ATOM 979 HD22 LEU A 63 8.954 0.914 -11.516 1.00 2.37 H ATOM 980 HD23 LEU A 63 10.350 0.369 -12.446 1.00 2.16 H 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 992 H ARG A 64 7.909 1.147 -7.516 1.00 0.55 H ATOM 993 HA ARG A 64 8.806 3.875 -7.957 1.00 1.03 H ATOM 994 HB2 ARG A 64 6.461 4.463 -7.275 1.00 1.75 H ATOM 995 HB3 ARG A 64 6.551 3.300 -8.595 1.00 1.83 H ATOM 996 HG2 ARG A 64 5.945 1.486 -7.208 1.00 1.31 H ATOM 997 HG3 ARG A 64 6.334 2.364 -5.730 1.00 1.49 H ATOM 998 HD2 ARG A 64 4.031 2.961 -7.613 1.00 1.40 H ATOM 999 HD3 ARG A 64 3.905 2.255 -6.002 1.00 1.50 H ATOM 1000 HE ARG A 64 5.210 4.640 -5.542 1.00 1.84 H ATOM 1001 HH11 ARG A 64 2.349 3.654 -7.191 1.00 2.19 H ATOM 1002 HH12 ARG A 64 1.500 5.132 -6.880 1.00 2.81 H ATOM 1003 HH21 ARG A 64 4.121 6.577 -5.129 1.00 2.86 H ATOM 1004 HH22 ARG A 64 2.503 6.786 -5.713 1.00 2.97 H 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 1014 H GLN A 65 9.504 1.995 -5.428 1.00 1.00 H ATOM 1015 HA GLN A 65 8.793 3.887 -3.271 1.00 1.11 H ATOM 1016 HB2 GLN A 65 10.155 1.194 -3.382 1.00 0.94 H ATOM 1017 HB3 GLN A 65 10.206 2.173 -1.919 1.00 0.91 H ATOM 1018 HG2 GLN A 65 7.613 1.517 -3.327 1.00 1.50 H ATOM 1019 HG3 GLN A 65 8.291 0.483 -2.069 1.00 1.64 H ATOM 1020 HE21 GLN A 65 6.673 3.541 -2.678 1.00 2.55 H ATOM 1021 HE22 GLN A 65 6.501 3.992 -1.051 1.00 2.84 H 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 1026 H GLY A 66 11.298 3.469 -5.531 1.00 2.30 H ATOM 1027 HA2 GLY A 66 13.657 4.093 -4.180 1.00 2.36 H ATOM 1028 HA3 GLY A 66 13.293 4.693 -5.799 1.00 2.46 H 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 1038 H GLU A 67 13.969 5.664 -2.676 1.00 3.02 H ATOM 1039 HA GLU A 67 13.837 7.738 -1.586 1.00 3.51 H ATOM 1040 HB2 GLU A 67 14.871 8.362 -3.852 1.00 4.16 H ATOM 1041 HB3 GLU A 67 13.255 8.893 -4.320 1.00 4.37 H ATOM 1042 HG2 GLU A 67 13.225 10.350 -2.261 1.00 4.79 H ATOM 1043 HG3 GLU A 67 14.922 9.933 -2.015 1.00 4.73 H 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 1052 H ILE A 68 11.898 7.387 -0.425 1.00 3.22 H ATOM 1053 HA ILE A 68 9.309 7.913 -1.720 1.00 4.15 H ATOM 1054 HB ILE A 68 9.891 7.431 1.215 1.00 4.34 H ATOM 1055 HG12 ILE A 68 9.253 5.439 -0.986 1.00 4.07 H ATOM 1056 HG13 ILE A 68 10.814 5.609 -0.184 1.00 3.93 H ATOM 1057 HG21 ILE A 68 7.624 8.351 0.460 1.00 5.31 H ATOM 1058 HG22 ILE A 68 7.394 6.819 -0.382 1.00 5.23 H ATOM 1059 HG23 ILE A 68 7.579 6.844 1.372 1.00 5.25 H ATOM 1060 HD11 ILE A 68 9.498 5.224 2.018 1.00 4.00 H ATOM 1061 HD12 ILE A 68 8.208 4.624 0.975 1.00 4.12 H ATOM 1062 HD13 ILE A 68 9.782 3.830 0.976 1.00 3.98 H 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 1072 H GLU A 69 10.425 9.134 1.421 1.00 4.39 H ATOM 1073 HA GLU A 69 9.904 11.923 0.507 1.00 5.91 H ATOM 1074 HB2 GLU A 69 8.020 10.586 1.896 1.00 5.92 H ATOM 1075 HB3 GLU A 69 8.995 11.117 3.259 1.00 6.23 H ATOM 1076 HG2 GLU A 69 7.884 12.928 1.096 1.00 6.63 H ATOM 1077 HG3 GLU A 69 7.194 12.728 2.705 1.00 6.59 H 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 1085 H THR A 70 10.224 12.363 3.638 1.00 5.37 H ATOM 1086 HA THR A 70 13.100 12.873 3.459 1.00 6.10 H ATOM 1087 HB THR A 70 11.609 14.486 4.572 1.00 6.76 H ATOM 1088 HG1 THR A 70 12.928 13.639 6.789 1.00 7.50 H ATOM 1089 HG21 THR A 70 10.102 12.549 5.454 1.00 7.20 H ATOM 1090 HG22 THR A 70 11.220 12.520 6.818 1.00 7.25 H ATOM 1091 HG23 THR A 70 10.308 13.984 6.457 1.00 7.09 H 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 1098 H SER A 71 13.186 12.295 6.513 1.00 5.88 H ATOM 1099 HA SER A 71 13.776 10.508 7.911 1.00 6.77 H ATOM 1100 HB2 SER A 71 11.725 9.452 6.566 1.00 6.93 H ATOM 1101 HB3 SER A 71 12.996 8.452 5.872 1.00 6.63 H ATOM 1102 HG SER A 71 13.369 7.578 7.789 1.00 7.66 H 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 1111 H LEU A 72 14.346 9.044 4.708 1.00 5.75 H ATOM 1112 HA LEU A 72 17.196 8.669 5.468 1.00 6.24 H ATOM 1113 HB2 LEU A 72 17.115 7.386 3.155 1.00 6.24 H ATOM 1114 HB3 LEU A 72 16.404 6.655 4.591 1.00 6.19 H ATOM 1115 HG LEU A 72 14.183 7.429 3.943 1.00 5.77 H ATOM 1116 HD11 LEU A 72 15.717 8.806 1.731 1.00 6.07 H ATOM 1117 HD12 LEU A 72 13.993 8.466 1.589 1.00 6.13 H ATOM 1118 HD13 LEU A 72 14.579 9.516 2.877 1.00 5.99 H ATOM 1119 HD21 LEU A 72 14.995 5.288 3.013 1.00 6.23 H ATOM 1120 HD22 LEU A 72 13.912 6.100 1.881 1.00 5.92 H ATOM 1121 HD23 LEU A 72 15.656 6.145 1.621 1.00 5.82 H 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 1126 H GLY A 73 16.046 11.319 4.705 1.00 6.97 H ATOM 1127 HA2 GLY A 73 16.639 12.132 2.095 1.00 7.97 H ATOM 1128 HA3 GLY A 73 16.845 13.175 3.502 1.00 8.00 H 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 1141 H TYR A 74 18.815 10.993 4.513 1.00 7.26 H ATOM 1142 HA TYR A 74 21.189 12.262 3.332 1.00 8.62 H ATOM 1143 HB2 TYR A 74 21.146 9.967 5.302 1.00 8.60 H ATOM 1144 HB3 TYR A 74 22.423 11.157 5.048 1.00 8.69 H ATOM 1145 HD1 TYR A 74 21.488 13.718 5.206 1.00 9.20 H ATOM 1146 HD2 TYR A 74 19.824 10.285 7.214 1.00 9.35 H ATOM 1147 HE1 TYR A 74 20.453 15.212 6.904 1.00 10.38 H ATOM 1148 HE2 TYR A 74 18.789 11.781 8.911 1.00 10.48 H ATOM 1149 HH TYR A 74 18.024 14.341 8.886 1.00 11.53 H 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 1161 H PHE A 75 19.408 10.428 1.736 1.00 8.02 H ATOM 1162 HA PHE A 75 19.565 8.537 0.337 1.00 8.82 H ATOM 1163 HB2 PHE A 75 21.661 8.568 -1.022 1.00 9.51 H ATOM 1164 HB3 PHE A 75 20.900 10.152 -0.893 1.00 9.50 H ATOM 1165 HD1 PHE A 75 23.753 8.060 0.155 1.00 10.30 H ATOM 1166 HD2 PHE A 75 21.896 11.938 0.453 1.00 10.24 H ATOM 1167 HE1 PHE A 75 25.850 8.991 1.116 1.00 11.64 H ATOM 1168 HE2 PHE A 75 23.994 12.868 1.415 1.00 11.57 H ATOM 1169 HZ PHE A 75 25.970 11.394 1.748 1.00 12.19 H 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 1180 H GLU A 76 20.428 8.147 3.221 1.00 7.68 H ATOM 1181 HA GLU A 76 21.347 6.415 4.504 1.00 8.38 H ATOM 1182 HB2 GLU A 76 19.952 5.176 2.663 1.00 8.60 H ATOM 1183 HB3 GLU A 76 21.523 4.761 1.982 1.00 8.53 H ATOM 1184 HG2 GLU A 76 20.634 4.182 4.826 1.00 8.71 H ATOM 1185 HG3 GLU A 76 20.714 2.999 3.521 1.00 8.70 H TER 1186 GLU A 76 MASTER 113 0 0 3 2 0 0 6 1185 1 0 6 END