HEADER CYTOKINE 01-MAY-01 1IJZ TITLE SOLUTION STRUCTURE OF HUMAN IL-13 COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-13; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: IL-13; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSET KEYWDS LEFT-HANDED FOUR-HELIX BUNDLE, CYTOKINE EXPDTA SOLUTION NMR AUTHOR F.J.MOY,E.DIBLASIO,J.WILHELM,R.POWERS REVDAT 2 24-FEB-09 1IJZ 1 VERSN REVDAT 1 01-MAY-02 1IJZ 0 JRNL AUTH F.J.MOY,E.DIBLASIO,J.WILHELM,R.POWERS JRNL TITL SOLUTION STRUCTURE OF HUMAN IL-13 AND IMPLICATION JRNL TITL 2 FOR RECEPTOR BINDING. JRNL REF J.MOL.BIOL. V. 310 219 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11419948 JRNL DOI 10.1006/JMBI.2001.4764 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.84 REMARK 3 AUTHORS : BRUMGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 2848 RESTRAINTS, 2248 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 299 DIHEDRAL ANGLE RESTRAINTS,50 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS, 205 CA/CB CONSTRAINTS, 96 COUPLING CONSTANT REMARK 3 CONSTRAINTS. ADDITIONALLY, A RAMACHANDRAN CONFORMATIONAL REMARK 3 DATABASE AND RADIUS OF GYRATION TARGET FUNCTION WAS USED REMARK 3 DURING THE REFINEMENT. REMARK 4 REMARK 4 1IJZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAY-01. REMARK 100 THE RCSB ID CODE IS RCSB013350. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298; 298 REMARK 210 PH : 6.0; 6.0; 6.0 REMARK 210 IONIC STRENGTH : 40 MM SODIUM PHOSPHATE, 2 MM REMARK 210 NAN3, 40 MM NACL; 40 MM SODIUM REMARK 210 PHOSPHATE, 2 MM NAN3, 40 MM REMARK 210 NACL; 40 MM SODIUM PHOSPHATE, REMARK 210 2 MM NAN3, 40 MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM INTERLEUKIN-13 U-15N; REMARK 210 40MM PHOSPHATE BUFFER; 2MM REMARK 210 NAN3; 40 MM NACL 90% H2O, 10% REMARK 210 D2O; PH 6.0; 1MM INTERLEUKIN- REMARK 210 13 U-15N,U-13C; 40MM PHOSPHATE REMARK 210 BUFFER; 2MM NAN3; 40 MM NACL REMARK 210 90% H2O, 10% D2O; PH 6.0; 1MM REMARK 210 INTERLEUKIN-13 U-15N,U-13C; REMARK 210 40MM PHOSPHATE BUFFER; 2MM REMARK 210 NAN3; 40 MM NACL; 100% D2O; PH REMARK 210 6.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, HNCA-J, REMARK 210 HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.0, NMRPIPE REMARK 210 97.231.15.18, PIPP 4.2.8 REMARK 210 METHOD USED : SIMULATED ANNEALING 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 LYS A 25 -80.01 -88.19 REMARK 500 ASN A 30 54.63 -69.06 REMARK 500 THR A 40 -100.03 -138.29 REMARK 500 ALA A 41 -64.82 -109.95 REMARK 500 ALA A 77 0.13 -64.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IK0 RELATED DB: PDB REMARK 900 1IK0 CONTAINS THE ENSEMBLE STRUCTURES FOR IL-13 DBREF 1IJZ A 2 113 UNP P35225 IL13_HUMAN 21 132 SEQADV 1IJZ MET A 1 UNP P35225 CLONING ARTIFACT SEQRES 1 A 113 MET GLY PRO VAL PRO PRO SER THR ALA LEU ARG GLU LEU SEQRES 2 A 113 ILE GLU GLU LEU VAL ASN ILE THR GLN ASN GLN LYS ALA SEQRES 3 A 113 PRO LEU CYS ASN GLY SER MET VAL TRP SER ILE ASN LEU SEQRES 4 A 113 THR ALA GLY MET TYR CYS ALA ALA LEU GLU SER LEU ILE SEQRES 5 A 113 ASN VAL SER GLY CYS SER ALA ILE GLU LYS THR GLN ARG SEQRES 6 A 113 MET LEU SER GLY PHE CYS PRO HIS LYS VAL SER ALA GLY SEQRES 7 A 113 GLN PHE SER SER LEU HIS VAL ARG ASP THR LYS ILE GLU SEQRES 8 A 113 VAL ALA GLN PHE VAL LYS ASP LEU LEU LEU HIS LEU LYS SEQRES 9 A 113 LYS LEU PHE ARG GLU GLY ARG PHE ASN HELIX 1 1 PRO A 5 ASN A 23 1 19 HELIX 2 2 GLY A 42 ILE A 52 1 11 HELIX 3 3 CYS A 57 ALA A 59 5 3 HELIX 4 4 ILE A 60 CYS A 71 1 12 HELIX 5 5 VAL A 92 GLY A 110 1 19 SHEET 1 A 2 MET A 33 TRP A 35 0 SHEET 2 A 2 LYS A 89 GLU A 91 -1 N ILE A 90 O VAL A 34 SSBOND 1 CYS A 29 CYS A 57 1555 1555 2.02 SSBOND 2 CYS A 45 CYS A 71 1555 1555 2.02 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 21.908 4.310 12.564 1.00 2.43 N ATOM 2 CA MET A 1 21.496 5.345 13.553 1.00 2.00 C ATOM 3 C MET A 1 20.430 6.238 12.922 1.00 1.66 C ATOM 4 O MET A 1 19.289 6.251 13.339 1.00 1.58 O ATOM 5 CB MET A 1 22.712 6.191 13.945 1.00 2.41 C ATOM 6 CG MET A 1 23.761 5.295 14.607 1.00 2.86 C ATOM 7 SD MET A 1 24.548 4.261 13.331 1.00 3.84 S ATOM 8 CE MET A 1 24.995 2.795 14.313 1.00 4.23 C ATOM 9 H1 MET A 1 22.629 4.706 11.927 1.00 2.81 H ATOM 10 H2 MET A 1 21.080 4.012 12.009 1.00 2.72 H ATOM 11 H3 MET A 1 22.305 3.489 13.064 1.00 2.88 H ATOM 12 HA MET A 1 21.091 4.864 14.432 1.00 2.52 H ATOM 13 HB2 MET A 1 23.132 6.649 13.061 1.00 2.73 H ATOM 14 HB3 MET A 1 22.407 6.959 14.639 1.00 2.85 H ATOM 15 HG2 MET A 1 24.508 5.912 15.087 1.00 3.19 H ATOM 16 HG3 MET A 1 23.277 4.679 15.344 1.00 2.93 H ATOM 17 HE1 MET A 1 25.990 2.925 14.715 1.00 4.26 H ATOM 18 HE2 MET A 1 24.983 1.926 13.676 1.00 4.46 H ATOM 19 HE3 MET A 1 24.292 2.647 15.117 1.00 4.75 H ATOM 20 N GLY A 2 20.790 6.979 11.911 1.00 1.55 N ATOM 21 CA GLY A 2 19.795 7.862 11.244 1.00 1.31 C ATOM 22 C GLY A 2 18.806 6.993 10.463 1.00 1.04 C ATOM 23 O GLY A 2 18.998 5.801 10.328 1.00 1.02 O ATOM 24 H GLY A 2 21.714 6.947 11.585 1.00 1.70 H ATOM 25 HA2 GLY A 2 19.269 8.435 11.993 1.00 1.36 H ATOM 26 HA3 GLY A 2 20.300 8.530 10.563 1.00 1.39 H ATOM 27 N PRO A 3 17.755 7.578 9.950 1.00 0.95 N ATOM 28 CA PRO A 3 16.747 6.806 9.176 1.00 0.85 C ATOM 29 C PRO A 3 17.385 6.040 8.014 1.00 0.72 C ATOM 30 O PRO A 3 18.471 6.361 7.573 1.00 0.73 O ATOM 31 CB PRO A 3 15.811 7.900 8.659 1.00 0.98 C ATOM 32 CG PRO A 3 16.278 9.256 9.205 1.00 1.14 C ATOM 33 CD PRO A 3 17.505 9.035 10.096 1.00 1.12 C ATOM 34 HA PRO A 3 16.204 6.136 9.821 1.00 0.95 H ATOM 35 HB2 PRO A 3 15.835 7.915 7.578 1.00 0.96 H ATOM 36 HB3 PRO A 3 14.804 7.704 8.996 1.00 1.10 H ATOM 37 HG2 PRO A 3 16.538 9.907 8.383 1.00 1.28 H ATOM 38 HG3 PRO A 3 15.487 9.704 9.787 1.00 1.29 H ATOM 39 HD2 PRO A 3 18.347 9.613 9.737 1.00 1.24 H ATOM 40 HD3 PRO A 3 17.277 9.277 11.121 1.00 1.20 H ATOM 41 N VAL A 4 16.727 5.032 7.512 1.00 0.68 N ATOM 42 CA VAL A 4 17.314 4.262 6.384 1.00 0.62 C ATOM 43 C VAL A 4 17.091 5.056 5.073 1.00 0.51 C ATOM 44 O VAL A 4 16.097 5.744 4.949 1.00 0.50 O ATOM 45 CB VAL A 4 16.621 2.893 6.285 1.00 0.70 C ATOM 46 CG1 VAL A 4 17.036 1.978 7.454 1.00 0.89 C ATOM 47 CG2 VAL A 4 15.100 3.095 6.308 1.00 0.74 C ATOM 48 H VAL A 4 15.854 4.782 7.876 1.00 0.75 H ATOM 49 HA VAL A 4 18.361 4.131 6.574 1.00 0.69 H ATOM 50 HB VAL A 4 16.900 2.425 5.355 1.00 0.84 H ATOM 51 HG11 VAL A 4 16.887 0.947 7.167 1.00 1.47 H ATOM 52 HG12 VAL A 4 16.435 2.196 8.323 1.00 1.23 H ATOM 53 HG13 VAL A 4 18.077 2.131 7.694 1.00 1.44 H ATOM 54 HG21 VAL A 4 14.792 3.464 7.275 1.00 1.24 H ATOM 55 HG22 VAL A 4 14.608 2.154 6.111 1.00 1.31 H ATOM 56 HG23 VAL A 4 14.824 3.810 5.550 1.00 1.29 H ATOM 57 N PRO A 5 17.987 4.986 4.095 1.00 0.50 N ATOM 58 CA PRO A 5 17.785 5.755 2.829 1.00 0.47 C ATOM 59 C PRO A 5 16.460 5.406 2.122 1.00 0.38 C ATOM 60 O PRO A 5 15.864 4.385 2.401 1.00 0.37 O ATOM 61 CB PRO A 5 18.967 5.311 1.966 1.00 0.59 C ATOM 62 CG PRO A 5 19.849 4.356 2.776 1.00 0.63 C ATOM 63 CD PRO A 5 19.237 4.172 4.166 1.00 0.60 C ATOM 64 HA PRO A 5 17.860 6.805 3.030 1.00 0.52 H ATOM 65 HB2 PRO A 5 18.599 4.803 1.085 1.00 0.68 H ATOM 66 HB3 PRO A 5 19.546 6.173 1.672 1.00 0.63 H ATOM 67 HG2 PRO A 5 19.908 3.403 2.274 1.00 0.68 H ATOM 68 HG3 PRO A 5 20.839 4.775 2.874 1.00 0.70 H ATOM 69 HD2 PRO A 5 19.014 3.129 4.352 1.00 0.61 H ATOM 70 HD3 PRO A 5 19.902 4.568 4.916 1.00 0.69 H ATOM 71 N PRO A 6 15.999 6.235 1.201 1.00 0.41 N ATOM 72 CA PRO A 6 14.731 5.944 0.473 1.00 0.39 C ATOM 73 C PRO A 6 14.799 4.640 -0.325 1.00 0.31 C ATOM 74 O PRO A 6 13.898 3.826 -0.285 1.00 0.29 O ATOM 75 CB PRO A 6 14.603 7.132 -0.481 1.00 0.51 C ATOM 76 CG PRO A 6 15.843 8.021 -0.339 1.00 0.63 C ATOM 77 CD PRO A 6 16.690 7.503 0.825 1.00 0.57 C ATOM 78 HA PRO A 6 13.897 5.931 1.150 1.00 0.41 H ATOM 79 HB2 PRO A 6 14.531 6.770 -1.497 1.00 0.46 H ATOM 80 HB3 PRO A 6 13.721 7.702 -0.235 1.00 0.62 H ATOM 81 HG2 PRO A 6 16.419 7.989 -1.253 1.00 0.68 H ATOM 82 HG3 PRO A 6 15.538 9.037 -0.137 1.00 0.78 H ATOM 83 HD2 PRO A 6 17.707 7.315 0.505 1.00 0.63 H ATOM 84 HD3 PRO A 6 16.662 8.205 1.642 1.00 0.64 H ATOM 85 N SER A 7 15.858 4.443 -1.060 1.00 0.31 N ATOM 86 CA SER A 7 15.978 3.199 -1.870 1.00 0.28 C ATOM 87 C SER A 7 15.995 1.980 -0.948 1.00 0.26 C ATOM 88 O SER A 7 15.399 0.967 -1.241 1.00 0.25 O ATOM 89 CB SER A 7 17.276 3.242 -2.681 1.00 0.32 C ATOM 90 OG SER A 7 18.384 3.106 -1.801 1.00 0.36 O ATOM 91 H SER A 7 16.568 5.116 -1.084 1.00 0.36 H ATOM 92 HA SER A 7 15.138 3.128 -2.545 1.00 0.27 H ATOM 93 HB2 SER A 7 17.285 2.431 -3.391 1.00 0.33 H ATOM 94 HB3 SER A 7 17.337 4.183 -3.212 1.00 0.35 H ATOM 95 HG SER A 7 18.070 3.240 -0.904 1.00 0.98 H ATOM 96 N THR A 8 16.667 2.067 0.166 1.00 0.28 N ATOM 97 CA THR A 8 16.710 0.901 1.097 1.00 0.29 C ATOM 98 C THR A 8 15.332 0.681 1.720 1.00 0.26 C ATOM 99 O THR A 8 14.870 -0.434 1.849 1.00 0.27 O ATOM 100 CB THR A 8 17.736 1.167 2.199 1.00 0.35 C ATOM 101 OG1 THR A 8 19.018 1.332 1.614 1.00 0.40 O ATOM 102 CG2 THR A 8 17.763 -0.007 3.180 1.00 0.38 C ATOM 103 H THR A 8 17.141 2.895 0.391 1.00 0.31 H ATOM 104 HA THR A 8 16.998 0.016 0.548 1.00 0.31 H ATOM 105 HB THR A 8 17.465 2.068 2.730 1.00 0.35 H ATOM 106 HG1 THR A 8 19.007 0.911 0.751 1.00 0.90 H ATOM 107 HG21 THR A 8 17.180 -0.824 2.782 1.00 1.07 H ATOM 108 HG22 THR A 8 17.346 0.306 4.126 1.00 1.15 H ATOM 109 HG23 THR A 8 18.783 -0.330 3.326 1.00 1.03 H ATOM 110 N ALA A 9 14.669 1.733 2.106 1.00 0.25 N ATOM 111 CA ALA A 9 13.324 1.577 2.718 1.00 0.26 C ATOM 112 C ALA A 9 12.391 0.900 1.718 1.00 0.24 C ATOM 113 O ALA A 9 11.593 0.055 2.071 1.00 0.26 O ATOM 114 CB ALA A 9 12.764 2.954 3.077 1.00 0.29 C ATOM 115 H ALA A 9 15.056 2.624 1.994 1.00 0.26 H ATOM 116 HA ALA A 9 13.398 0.973 3.609 1.00 0.29 H ATOM 117 HB1 ALA A 9 12.549 3.502 2.172 1.00 0.97 H ATOM 118 HB2 ALA A 9 13.491 3.497 3.659 1.00 1.09 H ATOM 119 HB3 ALA A 9 11.857 2.837 3.651 1.00 1.09 H ATOM 120 N LEU A 10 12.470 1.277 0.472 1.00 0.22 N ATOM 121 CA LEU A 10 11.572 0.663 -0.540 1.00 0.22 C ATOM 122 C LEU A 10 11.850 -0.841 -0.669 1.00 0.21 C ATOM 123 O LEU A 10 10.943 -1.650 -0.638 1.00 0.23 O ATOM 124 CB LEU A 10 11.765 1.357 -1.898 1.00 0.22 C ATOM 125 CG LEU A 10 10.908 0.674 -2.977 1.00 0.33 C ATOM 126 CD1 LEU A 10 9.435 0.641 -2.559 1.00 0.48 C ATOM 127 CD2 LEU A 10 11.055 1.464 -4.277 1.00 0.82 C ATOM 128 H LEU A 10 13.111 1.970 0.206 1.00 0.22 H ATOM 129 HA LEU A 10 10.556 0.808 -0.210 1.00 0.23 H ATOM 130 HB2 LEU A 10 11.470 2.393 -1.813 1.00 0.29 H ATOM 131 HB3 LEU A 10 12.813 1.307 -2.191 1.00 0.23 H ATOM 132 HG LEU A 10 11.262 -0.330 -3.134 1.00 0.78 H ATOM 133 HD11 LEU A 10 8.827 0.475 -3.426 1.00 1.16 H ATOM 134 HD12 LEU A 10 9.164 1.582 -2.104 1.00 1.04 H ATOM 135 HD13 LEU A 10 9.272 -0.162 -1.858 1.00 1.13 H ATOM 136 HD21 LEU A 10 10.140 1.985 -4.515 1.00 1.40 H ATOM 137 HD22 LEU A 10 11.308 0.793 -5.080 1.00 1.41 H ATOM 138 HD23 LEU A 10 11.835 2.175 -4.147 1.00 1.37 H ATOM 139 N ARG A 11 13.089 -1.225 -0.833 1.00 0.23 N ATOM 140 CA ARG A 11 13.403 -2.678 -0.985 1.00 0.25 C ATOM 141 C ARG A 11 12.938 -3.421 0.259 1.00 0.25 C ATOM 142 O ARG A 11 12.333 -4.472 0.182 1.00 0.27 O ATOM 143 CB ARG A 11 14.912 -2.861 -1.124 1.00 0.29 C ATOM 144 CG ARG A 11 15.412 -2.078 -2.342 1.00 0.33 C ATOM 145 CD ARG A 11 16.947 -2.016 -2.342 1.00 0.95 C ATOM 146 NE ARG A 11 17.494 -3.285 -2.896 1.00 1.53 N ATOM 147 CZ ARG A 11 18.753 -3.358 -3.225 1.00 2.18 C ATOM 148 NH1 ARG A 11 19.542 -2.340 -3.008 1.00 2.48 N ATOM 149 NH2 ARG A 11 19.228 -4.449 -3.760 1.00 3.10 N ATOM 150 H ARG A 11 13.808 -0.561 -0.870 1.00 0.23 H ATOM 151 HA ARG A 11 12.905 -3.074 -1.857 1.00 0.26 H ATOM 152 HB2 ARG A 11 15.391 -2.502 -0.227 1.00 0.30 H ATOM 153 HB3 ARG A 11 15.135 -3.910 -1.256 1.00 0.32 H ATOM 154 HG2 ARG A 11 15.075 -2.570 -3.244 1.00 0.76 H ATOM 155 HG3 ARG A 11 15.013 -1.079 -2.314 1.00 0.68 H ATOM 156 HD2 ARG A 11 17.272 -1.195 -2.955 1.00 1.65 H ATOM 157 HD3 ARG A 11 17.313 -1.869 -1.337 1.00 1.64 H ATOM 158 HE ARG A 11 16.904 -4.056 -3.034 1.00 2.05 H ATOM 159 HH11 ARG A 11 19.179 -1.507 -2.589 1.00 2.43 H ATOM 160 HH12 ARG A 11 20.508 -2.394 -3.257 1.00 3.15 H ATOM 161 HH21 ARG A 11 18.625 -5.230 -3.919 1.00 3.51 H ATOM 162 HH22 ARG A 11 20.194 -4.503 -4.012 1.00 3.62 H ATOM 163 N GLU A 12 13.207 -2.876 1.410 1.00 0.25 N ATOM 164 CA GLU A 12 12.767 -3.546 2.657 1.00 0.28 C ATOM 165 C GLU A 12 11.245 -3.665 2.620 1.00 0.26 C ATOM 166 O GLU A 12 10.679 -4.652 3.044 1.00 0.29 O ATOM 167 CB GLU A 12 13.220 -2.734 3.879 1.00 0.30 C ATOM 168 CG GLU A 12 14.742 -2.854 4.052 1.00 0.34 C ATOM 169 CD GLU A 12 15.143 -2.345 5.438 1.00 1.14 C ATOM 170 OE1 GLU A 12 14.373 -1.600 6.021 1.00 1.92 O ATOM 171 OE2 GLU A 12 16.208 -2.722 5.900 1.00 1.81 O ATOM 172 H GLU A 12 13.689 -2.024 1.452 1.00 0.24 H ATOM 173 HA GLU A 12 13.195 -4.538 2.698 1.00 0.30 H ATOM 174 HB2 GLU A 12 12.960 -1.693 3.734 1.00 0.29 H ATOM 175 HB3 GLU A 12 12.729 -3.108 4.764 1.00 0.33 H ATOM 176 HG2 GLU A 12 15.044 -3.886 3.950 1.00 0.89 H ATOM 177 HG3 GLU A 12 15.237 -2.259 3.299 1.00 0.83 H ATOM 178 N LEU A 13 10.577 -2.669 2.104 1.00 0.23 N ATOM 179 CA LEU A 13 9.092 -2.734 2.025 1.00 0.24 C ATOM 180 C LEU A 13 8.681 -3.789 0.983 1.00 0.22 C ATOM 181 O LEU A 13 7.834 -4.621 1.239 1.00 0.23 O ATOM 182 CB LEU A 13 8.549 -1.350 1.626 1.00 0.24 C ATOM 183 CG LEU A 13 7.020 -1.380 1.450 1.00 0.27 C ATOM 184 CD1 LEU A 13 6.337 -1.769 2.764 1.00 0.32 C ATOM 185 CD2 LEU A 13 6.537 0.012 1.036 1.00 0.31 C ATOM 186 H LEU A 13 11.054 -1.885 1.758 1.00 0.22 H ATOM 187 HA LEU A 13 8.702 -3.011 2.992 1.00 0.27 H ATOM 188 HB2 LEU A 13 8.802 -0.637 2.398 1.00 0.26 H ATOM 189 HB3 LEU A 13 9.008 -1.045 0.698 1.00 0.22 H ATOM 190 HG LEU A 13 6.753 -2.089 0.682 1.00 0.26 H ATOM 191 HD11 LEU A 13 5.302 -1.460 2.733 1.00 1.06 H ATOM 192 HD12 LEU A 13 6.832 -1.278 3.585 1.00 1.07 H ATOM 193 HD13 LEU A 13 6.385 -2.837 2.899 1.00 1.01 H ATOM 194 HD21 LEU A 13 7.224 0.433 0.317 1.00 1.08 H ATOM 195 HD22 LEU A 13 6.491 0.650 1.906 1.00 1.03 H ATOM 196 HD23 LEU A 13 5.555 -0.065 0.593 1.00 1.07 H ATOM 197 N ILE A 14 9.270 -3.765 -0.192 1.00 0.21 N ATOM 198 CA ILE A 14 8.892 -4.776 -1.231 1.00 0.21 C ATOM 199 C ILE A 14 9.181 -6.183 -0.700 1.00 0.21 C ATOM 200 O ILE A 14 8.358 -7.069 -0.803 1.00 0.22 O ATOM 201 CB ILE A 14 9.687 -4.543 -2.537 1.00 0.21 C ATOM 202 CG1 ILE A 14 9.269 -3.193 -3.152 1.00 0.23 C ATOM 203 CG2 ILE A 14 9.404 -5.688 -3.545 1.00 0.23 C ATOM 204 CD1 ILE A 14 10.283 -2.743 -4.220 1.00 0.25 C ATOM 205 H ILE A 14 9.951 -3.089 -0.387 1.00 0.21 H ATOM 206 HA ILE A 14 7.834 -4.688 -1.438 1.00 0.22 H ATOM 207 HB ILE A 14 10.744 -4.523 -2.311 1.00 0.21 H ATOM 208 HG12 ILE A 14 8.291 -3.287 -3.600 1.00 0.23 H ATOM 209 HG13 ILE A 14 9.229 -2.449 -2.371 1.00 0.23 H ATOM 210 HG21 ILE A 14 8.615 -6.325 -3.180 1.00 1.06 H ATOM 211 HG22 ILE A 14 10.300 -6.273 -3.682 1.00 1.01 H ATOM 212 HG23 ILE A 14 9.102 -5.281 -4.494 1.00 1.03 H ATOM 213 HD11 ILE A 14 10.050 -1.737 -4.529 1.00 1.05 H ATOM 214 HD12 ILE A 14 10.236 -3.389 -5.081 1.00 0.97 H ATOM 215 HD13 ILE A 14 11.279 -2.770 -3.806 1.00 1.12 H ATOM 216 N GLU A 15 10.341 -6.411 -0.161 1.00 0.23 N ATOM 217 CA GLU A 15 10.655 -7.780 0.326 1.00 0.25 C ATOM 218 C GLU A 15 9.649 -8.181 1.400 1.00 0.24 C ATOM 219 O GLU A 15 9.203 -9.310 1.451 1.00 0.26 O ATOM 220 CB GLU A 15 12.066 -7.811 0.918 1.00 0.28 C ATOM 221 CG GLU A 15 13.096 -7.625 -0.199 1.00 0.31 C ATOM 222 CD GLU A 15 14.495 -7.917 0.345 1.00 1.10 C ATOM 223 OE1 GLU A 15 15.126 -6.994 0.833 1.00 1.90 O ATOM 224 OE2 GLU A 15 14.911 -9.061 0.265 1.00 1.78 O ATOM 225 H GLU A 15 11.009 -5.697 -0.100 1.00 0.23 H ATOM 226 HA GLU A 15 10.594 -8.475 -0.497 1.00 0.26 H ATOM 227 HB2 GLU A 15 12.170 -7.016 1.642 1.00 0.29 H ATOM 228 HB3 GLU A 15 12.231 -8.762 1.401 1.00 0.30 H ATOM 229 HG2 GLU A 15 12.875 -8.300 -1.012 1.00 0.84 H ATOM 230 HG3 GLU A 15 13.058 -6.606 -0.555 1.00 0.85 H ATOM 231 N GLU A 16 9.286 -7.276 2.264 1.00 0.24 N ATOM 232 CA GLU A 16 8.312 -7.637 3.325 1.00 0.26 C ATOM 233 C GLU A 16 6.922 -7.858 2.721 1.00 0.24 C ATOM 234 O GLU A 16 6.259 -8.814 3.050 1.00 0.25 O ATOM 235 CB GLU A 16 8.249 -6.529 4.376 1.00 0.27 C ATOM 236 CG GLU A 16 7.264 -6.937 5.474 1.00 0.32 C ATOM 237 CD GLU A 16 7.517 -6.100 6.729 1.00 0.91 C ATOM 238 OE1 GLU A 16 8.370 -5.229 6.674 1.00 1.68 O ATOM 239 OE2 GLU A 16 6.858 -6.348 7.725 1.00 1.56 O ATOM 240 H GLU A 16 9.653 -6.369 2.214 1.00 0.24 H ATOM 241 HA GLU A 16 8.636 -8.552 3.798 1.00 0.28 H ATOM 242 HB2 GLU A 16 9.229 -6.381 4.803 1.00 0.29 H ATOM 243 HB3 GLU A 16 7.912 -5.613 3.914 1.00 0.27 H ATOM 244 HG2 GLU A 16 6.253 -6.770 5.129 1.00 0.80 H ATOM 245 HG3 GLU A 16 7.396 -7.983 5.708 1.00 0.84 H ATOM 246 N LEU A 17 6.473 -6.992 1.842 1.00 0.23 N ATOM 247 CA LEU A 17 5.113 -7.183 1.242 1.00 0.24 C ATOM 248 C LEU A 17 5.048 -8.518 0.503 1.00 0.23 C ATOM 249 O LEU A 17 4.103 -9.269 0.639 1.00 0.25 O ATOM 250 CB LEU A 17 4.806 -6.058 0.243 1.00 0.25 C ATOM 251 CG LEU A 17 4.590 -4.727 0.975 1.00 0.27 C ATOM 252 CD1 LEU A 17 4.550 -3.594 -0.051 1.00 0.30 C ATOM 253 CD2 LEU A 17 3.257 -4.733 1.744 1.00 0.32 C ATOM 254 H LEU A 17 7.022 -6.223 1.582 1.00 0.23 H ATOM 255 HA LEU A 17 4.380 -7.173 2.027 1.00 0.25 H ATOM 256 HB2 LEU A 17 5.639 -5.955 -0.437 1.00 0.24 H ATOM 257 HB3 LEU A 17 3.920 -6.309 -0.322 1.00 0.27 H ATOM 258 HG LEU A 17 5.405 -4.562 1.662 1.00 0.26 H ATOM 259 HD11 LEU A 17 5.446 -3.620 -0.652 1.00 1.03 H ATOM 260 HD12 LEU A 17 4.487 -2.646 0.463 1.00 1.09 H ATOM 261 HD13 LEU A 17 3.685 -3.716 -0.687 1.00 1.06 H ATOM 262 HD21 LEU A 17 2.666 -3.884 1.432 1.00 1.11 H ATOM 263 HD22 LEU A 17 3.453 -4.660 2.803 1.00 0.95 H ATOM 264 HD23 LEU A 17 2.709 -5.640 1.542 1.00 1.12 H ATOM 265 N VAL A 18 6.039 -8.815 -0.285 1.00 0.23 N ATOM 266 CA VAL A 18 6.028 -10.095 -1.040 1.00 0.26 C ATOM 267 C VAL A 18 5.987 -11.266 -0.051 1.00 0.26 C ATOM 268 O VAL A 18 5.189 -12.170 -0.173 1.00 0.28 O ATOM 269 CB VAL A 18 7.299 -10.177 -1.899 1.00 0.28 C ATOM 270 CG1 VAL A 18 7.430 -11.566 -2.531 1.00 0.32 C ATOM 271 CG2 VAL A 18 7.223 -9.130 -3.011 1.00 0.29 C ATOM 272 H VAL A 18 6.789 -8.193 -0.386 1.00 0.23 H ATOM 273 HA VAL A 18 5.160 -10.130 -1.679 1.00 0.27 H ATOM 274 HB VAL A 18 8.163 -9.982 -1.280 1.00 0.29 H ATOM 275 HG11 VAL A 18 7.639 -12.300 -1.767 1.00 1.07 H ATOM 276 HG12 VAL A 18 8.239 -11.557 -3.248 1.00 1.07 H ATOM 277 HG13 VAL A 18 6.510 -11.817 -3.035 1.00 1.05 H ATOM 278 HG21 VAL A 18 6.301 -9.254 -3.556 1.00 1.10 H ATOM 279 HG22 VAL A 18 8.058 -9.257 -3.684 1.00 1.02 H ATOM 280 HG23 VAL A 18 7.255 -8.142 -2.580 1.00 0.97 H ATOM 281 N ASN A 19 6.852 -11.253 0.919 1.00 0.26 N ATOM 282 CA ASN A 19 6.904 -12.367 1.910 1.00 0.29 C ATOM 283 C ASN A 19 5.516 -12.659 2.499 1.00 0.29 C ATOM 284 O ASN A 19 5.104 -13.798 2.587 1.00 0.32 O ATOM 285 CB ASN A 19 7.853 -11.966 3.043 1.00 0.31 C ATOM 286 CG ASN A 19 8.533 -13.205 3.631 1.00 1.16 C ATOM 287 OD1 ASN A 19 8.177 -14.323 3.316 1.00 1.93 O ATOM 288 ND2 ASN A 19 9.512 -13.048 4.480 1.00 1.89 N ATOM 289 H ASN A 19 7.491 -10.513 0.989 1.00 0.26 H ATOM 290 HA ASN A 19 7.282 -13.254 1.427 1.00 0.32 H ATOM 291 HB2 ASN A 19 8.605 -11.292 2.659 1.00 0.94 H ATOM 292 HB3 ASN A 19 7.290 -11.468 3.818 1.00 0.77 H ATOM 293 HD21 ASN A 19 9.802 -12.146 4.733 1.00 2.20 H ATOM 294 HD22 ASN A 19 9.960 -13.831 4.862 1.00 2.51 H ATOM 295 N ILE A 20 4.803 -11.655 2.932 1.00 0.28 N ATOM 296 CA ILE A 20 3.465 -11.910 3.545 1.00 0.29 C ATOM 297 C ILE A 20 2.412 -12.253 2.482 1.00 0.26 C ATOM 298 O ILE A 20 1.337 -12.709 2.813 1.00 0.28 O ATOM 299 CB ILE A 20 3.027 -10.686 4.366 1.00 0.32 C ATOM 300 CG1 ILE A 20 2.973 -9.430 3.470 1.00 0.29 C ATOM 301 CG2 ILE A 20 4.042 -10.490 5.505 1.00 0.39 C ATOM 302 CD1 ILE A 20 2.143 -8.326 4.143 1.00 0.40 C ATOM 303 H ILE A 20 5.155 -10.742 2.879 1.00 0.27 H ATOM 304 HA ILE A 20 3.555 -12.753 4.215 1.00 0.33 H ATOM 305 HB ILE A 20 2.050 -10.872 4.790 1.00 0.37 H ATOM 306 HG12 ILE A 20 3.966 -9.073 3.299 1.00 0.30 H ATOM 307 HG13 ILE A 20 2.522 -9.675 2.524 1.00 0.30 H ATOM 308 HG21 ILE A 20 4.363 -9.462 5.552 1.00 1.08 H ATOM 309 HG22 ILE A 20 4.900 -11.120 5.328 1.00 1.12 H ATOM 310 HG23 ILE A 20 3.584 -10.767 6.443 1.00 1.01 H ATOM 311 HD11 ILE A 20 2.116 -7.459 3.499 1.00 1.03 H ATOM 312 HD12 ILE A 20 2.584 -8.055 5.088 1.00 1.16 H ATOM 313 HD13 ILE A 20 1.137 -8.681 4.305 1.00 1.10 H ATOM 314 N THR A 21 2.701 -12.031 1.219 1.00 0.24 N ATOM 315 CA THR A 21 1.693 -12.340 0.151 1.00 0.25 C ATOM 316 C THR A 21 2.031 -13.661 -0.558 1.00 0.27 C ATOM 317 O THR A 21 1.216 -14.199 -1.281 1.00 0.36 O ATOM 318 CB THR A 21 1.668 -11.203 -0.876 1.00 0.27 C ATOM 319 OG1 THR A 21 2.984 -10.956 -1.346 1.00 0.28 O ATOM 320 CG2 THR A 21 1.105 -9.936 -0.229 1.00 0.29 C ATOM 321 H THR A 21 3.572 -11.654 0.975 1.00 0.24 H ATOM 322 HA THR A 21 0.715 -12.425 0.593 1.00 0.27 H ATOM 323 HB THR A 21 1.036 -11.482 -1.706 1.00 0.30 H ATOM 324 HG1 THR A 21 3.160 -10.016 -1.254 1.00 0.90 H ATOM 325 HG21 THR A 21 1.795 -9.118 -0.377 1.00 1.02 H ATOM 326 HG22 THR A 21 0.965 -10.103 0.828 1.00 1.02 H ATOM 327 HG23 THR A 21 0.156 -9.692 -0.682 1.00 1.05 H ATOM 328 N GLN A 22 3.211 -14.196 -0.373 1.00 0.27 N ATOM 329 CA GLN A 22 3.544 -15.483 -1.062 1.00 0.31 C ATOM 330 C GLN A 22 3.060 -16.676 -0.236 1.00 0.33 C ATOM 331 O GLN A 22 2.587 -17.655 -0.778 1.00 0.38 O ATOM 332 CB GLN A 22 5.059 -15.619 -1.275 1.00 0.36 C ATOM 333 CG GLN A 22 5.551 -14.621 -2.330 1.00 0.38 C ATOM 334 CD GLN A 22 6.854 -15.129 -2.946 1.00 1.16 C ATOM 335 OE1 GLN A 22 7.597 -15.856 -2.317 1.00 1.92 O ATOM 336 NE2 GLN A 22 7.162 -14.774 -4.163 1.00 1.95 N ATOM 337 H GLN A 22 3.868 -13.760 0.210 1.00 0.28 H ATOM 338 HA GLN A 22 3.044 -15.508 -2.016 1.00 0.33 H ATOM 339 HB2 GLN A 22 5.567 -15.428 -0.340 1.00 0.35 H ATOM 340 HB3 GLN A 22 5.284 -16.623 -1.603 1.00 0.41 H ATOM 341 HG2 GLN A 22 4.812 -14.501 -3.107 1.00 0.90 H ATOM 342 HG3 GLN A 22 5.733 -13.675 -1.862 1.00 0.88 H ATOM 343 HE21 GLN A 22 6.560 -14.187 -4.668 1.00 2.31 H ATOM 344 HE22 GLN A 22 7.992 -15.094 -4.573 1.00 2.56 H ATOM 345 N ASN A 23 3.195 -16.618 1.064 1.00 0.36 N ATOM 346 CA ASN A 23 2.763 -17.773 1.905 1.00 0.43 C ATOM 347 C ASN A 23 1.335 -17.550 2.400 1.00 0.42 C ATOM 348 O ASN A 23 0.854 -18.264 3.257 1.00 0.53 O ATOM 349 CB ASN A 23 3.685 -17.939 3.124 1.00 0.56 C ATOM 350 CG ASN A 23 5.064 -17.317 2.870 1.00 1.45 C ATOM 351 OD1 ASN A 23 5.447 -17.067 1.744 1.00 2.30 O ATOM 352 ND2 ASN A 23 5.842 -17.073 3.890 1.00 2.11 N ATOM 353 H ASN A 23 3.595 -15.828 1.480 1.00 0.38 H ATOM 354 HA ASN A 23 2.794 -18.678 1.316 1.00 0.46 H ATOM 355 HB2 ASN A 23 3.232 -17.462 3.980 1.00 1.10 H ATOM 356 HB3 ASN A 23 3.807 -18.993 3.331 1.00 1.17 H ATOM 357 HD21 ASN A 23 5.542 -17.289 4.798 1.00 2.24 H ATOM 358 HD22 ASN A 23 6.725 -16.672 3.749 1.00 2.87 H ATOM 359 N GLN A 24 0.643 -16.576 1.874 1.00 0.37 N ATOM 360 CA GLN A 24 -0.751 -16.352 2.342 1.00 0.40 C ATOM 361 C GLN A 24 -1.671 -17.329 1.615 1.00 0.52 C ATOM 362 O GLN A 24 -1.666 -17.415 0.403 1.00 0.59 O ATOM 363 CB GLN A 24 -1.186 -14.900 2.059 1.00 0.36 C ATOM 364 CG GLN A 24 -1.611 -14.723 0.592 1.00 0.44 C ATOM 365 CD GLN A 24 -1.793 -13.232 0.296 1.00 1.19 C ATOM 366 OE1 GLN A 24 -1.568 -12.398 1.151 1.00 1.80 O ATOM 367 NE2 GLN A 24 -2.201 -12.859 -0.886 1.00 1.81 N ATOM 368 H GLN A 24 1.033 -16.006 1.180 1.00 0.37 H ATOM 369 HA GLN A 24 -0.802 -16.540 3.405 1.00 0.47 H ATOM 370 HB2 GLN A 24 -2.016 -14.646 2.701 1.00 0.39 H ATOM 371 HB3 GLN A 24 -0.361 -14.237 2.268 1.00 0.38 H ATOM 372 HG2 GLN A 24 -0.854 -15.133 -0.059 1.00 0.92 H ATOM 373 HG3 GLN A 24 -2.551 -15.225 0.418 1.00 0.71 H ATOM 374 HE21 GLN A 24 -2.389 -13.532 -1.574 1.00 2.00 H ATOM 375 HE22 GLN A 24 -2.321 -11.907 -1.086 1.00 2.37 H ATOM 376 N LYS A 25 -2.470 -18.055 2.339 1.00 0.65 N ATOM 377 CA LYS A 25 -3.398 -19.012 1.679 1.00 0.84 C ATOM 378 C LYS A 25 -4.690 -18.269 1.349 1.00 0.87 C ATOM 379 O LYS A 25 -4.904 -17.834 0.235 1.00 0.96 O ATOM 380 CB LYS A 25 -3.693 -20.172 2.635 1.00 1.01 C ATOM 381 CG LYS A 25 -4.655 -21.159 1.971 1.00 1.23 C ATOM 382 CD LYS A 25 -4.880 -22.356 2.896 1.00 1.64 C ATOM 383 CE LYS A 25 -6.036 -23.202 2.360 1.00 2.05 C ATOM 384 NZ LYS A 25 -5.632 -24.635 2.329 1.00 2.46 N ATOM 385 H LYS A 25 -2.468 -17.966 3.315 1.00 0.67 H ATOM 386 HA LYS A 25 -2.949 -19.389 0.772 1.00 0.87 H ATOM 387 HB2 LYS A 25 -2.771 -20.678 2.881 1.00 1.00 H ATOM 388 HB3 LYS A 25 -4.143 -19.787 3.538 1.00 1.03 H ATOM 389 HG2 LYS A 25 -5.600 -20.671 1.780 1.00 1.32 H ATOM 390 HG3 LYS A 25 -4.233 -21.502 1.039 1.00 1.36 H ATOM 391 HD2 LYS A 25 -3.981 -22.954 2.935 1.00 1.94 H ATOM 392 HD3 LYS A 25 -5.123 -22.004 3.888 1.00 1.95 H ATOM 393 HE2 LYS A 25 -6.895 -23.085 3.004 1.00 2.56 H ATOM 394 HE3 LYS A 25 -6.288 -22.877 1.362 1.00 2.39 H ATOM 395 HZ1 LYS A 25 -6.012 -25.084 1.472 1.00 2.79 H ATOM 396 HZ2 LYS A 25 -6.008 -25.119 3.170 1.00 2.81 H ATOM 397 HZ3 LYS A 25 -4.595 -24.704 2.323 1.00 2.82 H ATOM 398 N ALA A 26 -5.539 -18.103 2.320 1.00 0.92 N ATOM 399 CA ALA A 26 -6.809 -17.365 2.090 1.00 0.95 C ATOM 400 C ALA A 26 -6.500 -15.862 2.134 1.00 0.70 C ATOM 401 O ALA A 26 -5.406 -15.476 2.496 1.00 0.55 O ATOM 402 CB ALA A 26 -7.798 -17.741 3.195 1.00 1.11 C ATOM 403 H ALA A 26 -5.331 -18.449 3.212 1.00 1.00 H ATOM 404 HA ALA A 26 -7.214 -17.632 1.125 1.00 1.08 H ATOM 405 HB1 ALA A 26 -8.008 -16.873 3.802 1.00 1.63 H ATOM 406 HB2 ALA A 26 -7.366 -18.515 3.813 1.00 1.48 H ATOM 407 HB3 ALA A 26 -8.713 -18.105 2.752 1.00 1.49 H ATOM 408 N PRO A 27 -7.428 -15.006 1.771 1.00 0.71 N ATOM 409 CA PRO A 27 -7.152 -13.545 1.800 1.00 0.56 C ATOM 410 C PRO A 27 -6.725 -13.075 3.193 1.00 0.41 C ATOM 411 O PRO A 27 -7.151 -13.612 4.196 1.00 0.54 O ATOM 412 CB PRO A 27 -8.497 -12.936 1.403 1.00 0.65 C ATOM 413 CG PRO A 27 -9.469 -14.068 1.045 1.00 0.88 C ATOM 414 CD PRO A 27 -8.788 -15.413 1.319 1.00 0.93 C ATOM 415 HA PRO A 27 -6.406 -13.286 1.067 1.00 0.61 H ATOM 416 HB2 PRO A 27 -8.894 -12.364 2.230 1.00 0.57 H ATOM 417 HB3 PRO A 27 -8.366 -12.292 0.546 1.00 0.74 H ATOM 418 HG2 PRO A 27 -10.361 -13.982 1.649 1.00 0.93 H ATOM 419 HG3 PRO A 27 -9.731 -14.004 0.000 1.00 1.02 H ATOM 420 HD2 PRO A 27 -9.318 -15.943 2.096 1.00 1.03 H ATOM 421 HD3 PRO A 27 -8.728 -16.001 0.418 1.00 1.07 H ATOM 422 N LEU A 28 -5.882 -12.081 3.266 1.00 0.39 N ATOM 423 CA LEU A 28 -5.429 -11.593 4.599 1.00 0.50 C ATOM 424 C LEU A 28 -6.645 -11.120 5.394 1.00 0.43 C ATOM 425 O LEU A 28 -6.866 -11.527 6.518 1.00 0.76 O ATOM 426 CB LEU A 28 -4.476 -10.414 4.396 1.00 0.72 C ATOM 427 CG LEU A 28 -3.202 -10.883 3.682 1.00 0.81 C ATOM 428 CD1 LEU A 28 -2.393 -9.627 3.277 1.00 1.06 C ATOM 429 CD2 LEU A 28 -2.411 -11.856 4.610 1.00 0.91 C ATOM 430 H LEU A 28 -5.543 -11.662 2.448 1.00 0.49 H ATOM 431 HA LEU A 28 -4.926 -12.383 5.130 1.00 0.61 H ATOM 432 HB2 LEU A 28 -4.968 -9.666 3.791 1.00 0.75 H ATOM 433 HB3 LEU A 28 -4.222 -9.984 5.353 1.00 0.86 H ATOM 434 HG LEU A 28 -3.490 -11.410 2.781 1.00 0.71 H ATOM 435 HD11 LEU A 28 -1.335 -9.769 3.414 1.00 1.56 H ATOM 436 HD12 LEU A 28 -2.718 -8.789 3.873 1.00 1.35 H ATOM 437 HD13 LEU A 28 -2.587 -9.411 2.236 1.00 1.60 H ATOM 438 HD21 LEU A 28 -2.728 -11.728 5.633 1.00 1.30 H ATOM 439 HD22 LEU A 28 -1.349 -11.689 4.547 1.00 1.42 H ATOM 440 HD23 LEU A 28 -2.619 -12.871 4.306 1.00 1.37 H ATOM 441 N CYS A 29 -7.444 -10.276 4.806 1.00 0.39 N ATOM 442 CA CYS A 29 -8.660 -9.781 5.507 1.00 0.40 C ATOM 443 C CYS A 29 -9.822 -10.725 5.203 1.00 0.36 C ATOM 444 O CYS A 29 -9.732 -11.569 4.333 1.00 0.36 O ATOM 445 CB CYS A 29 -9.002 -8.375 5.012 1.00 0.40 C ATOM 446 SG CYS A 29 -7.721 -7.214 5.546 1.00 0.47 S ATOM 447 H CYS A 29 -7.247 -9.974 3.896 1.00 0.65 H ATOM 448 HA CYS A 29 -8.480 -9.757 6.572 1.00 0.51 H ATOM 449 HB2 CYS A 29 -9.058 -8.377 3.933 1.00 0.40 H ATOM 450 HB3 CYS A 29 -9.954 -8.073 5.421 1.00 0.46 H ATOM 451 N ASN A 30 -10.914 -10.592 5.902 1.00 0.37 N ATOM 452 CA ASN A 30 -12.072 -11.488 5.632 1.00 0.38 C ATOM 453 C ASN A 30 -12.662 -11.142 4.265 1.00 0.32 C ATOM 454 O ASN A 30 -13.838 -10.863 4.139 1.00 0.36 O ATOM 455 CB ASN A 30 -13.140 -11.291 6.709 1.00 0.42 C ATOM 456 CG ASN A 30 -12.627 -11.836 8.042 1.00 1.37 C ATOM 457 OD1 ASN A 30 -11.499 -12.279 8.137 1.00 2.17 O ATOM 458 ND2 ASN A 30 -13.417 -11.832 9.080 1.00 2.11 N ATOM 459 H ASN A 30 -10.974 -9.904 6.597 1.00 0.39 H ATOM 460 HA ASN A 30 -11.742 -12.516 5.633 1.00 0.44 H ATOM 461 HB2 ASN A 30 -13.359 -10.238 6.809 1.00 1.00 H ATOM 462 HB3 ASN A 30 -14.037 -11.820 6.427 1.00 0.86 H ATOM 463 HD21 ASN A 30 -14.329 -11.482 9.000 1.00 2.37 H ATOM 464 HD22 ASN A 30 -13.098 -12.179 9.939 1.00 2.78 H ATOM 465 N GLY A 31 -11.856 -11.151 3.241 1.00 0.31 N ATOM 466 CA GLY A 31 -12.375 -10.815 1.887 1.00 0.29 C ATOM 467 C GLY A 31 -12.704 -9.324 1.831 1.00 0.23 C ATOM 468 O GLY A 31 -13.507 -8.885 1.032 1.00 0.26 O ATOM 469 H GLY A 31 -10.909 -11.373 3.362 1.00 0.38 H ATOM 470 HA2 GLY A 31 -11.625 -11.049 1.145 1.00 0.31 H ATOM 471 HA3 GLY A 31 -13.270 -11.386 1.691 1.00 0.34 H ATOM 472 N SER A 32 -12.086 -8.539 2.671 1.00 0.22 N ATOM 473 CA SER A 32 -12.365 -7.079 2.657 1.00 0.22 C ATOM 474 C SER A 32 -11.968 -6.515 1.297 1.00 0.21 C ATOM 475 O SER A 32 -11.072 -7.021 0.646 1.00 0.26 O ATOM 476 CB SER A 32 -11.563 -6.382 3.757 1.00 0.30 C ATOM 477 OG SER A 32 -11.954 -6.899 5.022 1.00 0.35 O ATOM 478 H SER A 32 -11.438 -8.909 3.306 1.00 0.26 H ATOM 479 HA SER A 32 -13.419 -6.910 2.820 1.00 0.26 H ATOM 480 HB2 SER A 32 -10.512 -6.563 3.609 1.00 0.33 H ATOM 481 HB3 SER A 32 -11.751 -5.317 3.718 1.00 0.34 H ATOM 482 HG SER A 32 -12.317 -6.176 5.538 1.00 0.96 H ATOM 483 N MET A 33 -12.640 -5.482 0.867 1.00 0.23 N ATOM 484 CA MET A 33 -12.331 -4.864 -0.453 1.00 0.25 C ATOM 485 C MET A 33 -11.895 -3.417 -0.228 1.00 0.21 C ATOM 486 O MET A 33 -12.249 -2.807 0.762 1.00 0.22 O ATOM 487 CB MET A 33 -13.585 -4.876 -1.324 1.00 0.35 C ATOM 488 CG MET A 33 -14.072 -6.311 -1.530 1.00 0.40 C ATOM 489 SD MET A 33 -15.605 -6.296 -2.500 1.00 0.89 S ATOM 490 CE MET A 33 -14.871 -6.252 -4.158 1.00 0.67 C ATOM 491 H MET A 33 -13.361 -5.110 1.417 1.00 0.27 H ATOM 492 HA MET A 33 -11.541 -5.405 -0.949 1.00 0.28 H ATOM 493 HB2 MET A 33 -14.361 -4.292 -0.853 1.00 0.38 H ATOM 494 HB3 MET A 33 -13.342 -4.451 -2.277 1.00 0.40 H ATOM 495 HG2 MET A 33 -13.318 -6.876 -2.057 1.00 0.93 H ATOM 496 HG3 MET A 33 -14.260 -6.768 -0.570 1.00 0.79 H ATOM 497 HE1 MET A 33 -15.547 -5.748 -4.835 1.00 1.20 H ATOM 498 HE2 MET A 33 -14.704 -7.258 -4.505 1.00 1.32 H ATOM 499 HE3 MET A 33 -13.929 -5.726 -4.127 1.00 1.36 H ATOM 500 N VAL A 34 -11.135 -2.868 -1.143 1.00 0.19 N ATOM 501 CA VAL A 34 -10.671 -1.455 -1.005 1.00 0.18 C ATOM 502 C VAL A 34 -10.959 -0.703 -2.299 1.00 0.17 C ATOM 503 O VAL A 34 -11.158 -1.291 -3.344 1.00 0.17 O ATOM 504 CB VAL A 34 -9.170 -1.423 -0.726 1.00 0.19 C ATOM 505 CG1 VAL A 34 -8.913 -1.864 0.712 1.00 0.25 C ATOM 506 CG2 VAL A 34 -8.449 -2.366 -1.685 1.00 0.22 C ATOM 507 H VAL A 34 -10.873 -3.389 -1.930 1.00 0.21 H ATOM 508 HA VAL A 34 -11.195 -0.971 -0.195 1.00 0.18 H ATOM 509 HB VAL A 34 -8.802 -0.416 -0.863 1.00 0.22 H ATOM 510 HG11 VAL A 34 -9.447 -2.783 0.908 1.00 1.05 H ATOM 511 HG12 VAL A 34 -9.259 -1.096 1.384 1.00 1.04 H ATOM 512 HG13 VAL A 34 -7.855 -2.023 0.857 1.00 1.02 H ATOM 513 HG21 VAL A 34 -9.001 -2.430 -2.611 1.00 1.06 H ATOM 514 HG22 VAL A 34 -8.376 -3.347 -1.240 1.00 1.06 H ATOM 515 HG23 VAL A 34 -7.460 -1.984 -1.881 1.00 0.99 H ATOM 516 N TRP A 35 -10.996 0.593 -2.231 1.00 0.18 N ATOM 517 CA TRP A 35 -11.285 1.397 -3.445 1.00 0.19 C ATOM 518 C TRP A 35 -10.073 1.404 -4.375 1.00 0.18 C ATOM 519 O TRP A 35 -8.953 1.605 -3.948 1.00 0.19 O ATOM 520 CB TRP A 35 -11.592 2.824 -3.029 1.00 0.22 C ATOM 521 CG TRP A 35 -12.879 2.880 -2.270 1.00 0.25 C ATOM 522 CD1 TRP A 35 -13.006 2.711 -0.934 1.00 0.28 C ATOM 523 CD2 TRP A 35 -14.215 3.149 -2.777 1.00 0.27 C ATOM 524 NE1 TRP A 35 -14.327 2.901 -0.584 1.00 0.33 N ATOM 525 CE2 TRP A 35 -15.116 3.158 -1.688 1.00 0.32 C ATOM 526 CE3 TRP A 35 -14.725 3.388 -4.063 1.00 0.28 C ATOM 527 CZ2 TRP A 35 -16.478 3.402 -1.867 1.00 0.37 C ATOM 528 CZ3 TRP A 35 -16.096 3.624 -4.250 1.00 0.33 C ATOM 529 CH2 TRP A 35 -16.971 3.632 -3.154 1.00 0.37 C ATOM 530 H TRP A 35 -10.840 1.043 -1.373 1.00 0.20 H ATOM 531 HA TRP A 35 -12.132 0.987 -3.961 1.00 0.19 H ATOM 532 HB2 TRP A 35 -10.793 3.192 -2.403 1.00 0.24 H ATOM 533 HB3 TRP A 35 -11.669 3.443 -3.910 1.00 0.25 H ATOM 534 HD1 TRP A 35 -12.200 2.497 -0.248 1.00 0.29 H ATOM 535 HE1 TRP A 35 -14.680 2.850 0.327 1.00 0.37 H ATOM 536 HE3 TRP A 35 -14.058 3.384 -4.913 1.00 0.26 H ATOM 537 HZ2 TRP A 35 -17.146 3.407 -1.018 1.00 0.42 H ATOM 538 HZ3 TRP A 35 -16.479 3.792 -5.245 1.00 0.35 H ATOM 539 HH2 TRP A 35 -18.025 3.815 -3.304 1.00 0.42 H ATOM 540 N SER A 36 -10.288 1.205 -5.646 1.00 0.20 N ATOM 541 CA SER A 36 -9.145 1.223 -6.600 1.00 0.21 C ATOM 542 C SER A 36 -8.635 2.660 -6.724 1.00 0.23 C ATOM 543 O SER A 36 -9.387 3.603 -6.574 1.00 0.28 O ATOM 544 CB SER A 36 -9.607 0.721 -7.968 1.00 0.26 C ATOM 545 OG SER A 36 -10.253 1.778 -8.662 1.00 0.97 O ATOM 546 H SER A 36 -11.200 1.058 -5.974 1.00 0.22 H ATOM 547 HA SER A 36 -8.354 0.589 -6.228 1.00 0.21 H ATOM 548 HB2 SER A 36 -8.756 0.389 -8.539 1.00 0.77 H ATOM 549 HB3 SER A 36 -10.292 -0.106 -7.834 1.00 0.77 H ATOM 550 HG SER A 36 -9.584 2.419 -8.915 1.00 1.48 H ATOM 551 N ILE A 37 -7.365 2.829 -6.992 1.00 0.21 N ATOM 552 CA ILE A 37 -6.786 4.204 -7.124 1.00 0.24 C ATOM 553 C ILE A 37 -5.906 4.277 -8.372 1.00 0.25 C ATOM 554 O ILE A 37 -5.613 3.279 -8.998 1.00 0.25 O ATOM 555 CB ILE A 37 -5.933 4.526 -5.893 1.00 0.24 C ATOM 556 CG1 ILE A 37 -4.950 3.368 -5.632 1.00 0.22 C ATOM 557 CG2 ILE A 37 -6.864 4.716 -4.686 1.00 0.28 C ATOM 558 CD1 ILE A 37 -3.774 3.853 -4.778 1.00 0.27 C ATOM 559 H ILE A 37 -6.786 2.046 -7.102 1.00 0.21 H ATOM 560 HA ILE A 37 -7.579 4.930 -7.209 1.00 0.28 H ATOM 561 HB ILE A 37 -5.382 5.439 -6.067 1.00 0.28 H ATOM 562 HG12 ILE A 37 -5.463 2.575 -5.114 1.00 0.23 H ATOM 563 HG13 ILE A 37 -4.572 2.990 -6.568 1.00 0.23 H ATOM 564 HG21 ILE A 37 -6.296 5.046 -3.831 1.00 1.01 H ATOM 565 HG22 ILE A 37 -7.353 3.782 -4.454 1.00 1.07 H ATOM 566 HG23 ILE A 37 -7.611 5.459 -4.924 1.00 1.07 H ATOM 567 HD11 ILE A 37 -4.131 4.212 -3.829 1.00 1.04 H ATOM 568 HD12 ILE A 37 -3.262 4.650 -5.295 1.00 1.04 H ATOM 569 HD13 ILE A 37 -3.087 3.034 -4.617 1.00 1.06 H ATOM 570 N ASN A 38 -5.467 5.453 -8.725 1.00 0.27 N ATOM 571 CA ASN A 38 -4.587 5.589 -9.916 1.00 0.30 C ATOM 572 C ASN A 38 -3.132 5.475 -9.465 1.00 0.28 C ATOM 573 O ASN A 38 -2.668 6.237 -8.640 1.00 0.28 O ATOM 574 CB ASN A 38 -4.814 6.952 -10.570 1.00 0.35 C ATOM 575 CG ASN A 38 -5.867 6.818 -11.670 1.00 1.36 C ATOM 576 OD1 ASN A 38 -6.893 7.467 -11.629 1.00 2.23 O ATOM 577 ND2 ASN A 38 -5.652 5.995 -12.659 1.00 2.07 N ATOM 578 H ASN A 38 -5.704 6.244 -8.196 1.00 0.29 H ATOM 579 HA ASN A 38 -4.810 4.804 -10.623 1.00 0.31 H ATOM 580 HB2 ASN A 38 -5.158 7.656 -9.825 1.00 0.94 H ATOM 581 HB3 ASN A 38 -3.889 7.305 -11.001 1.00 0.95 H ATOM 582 HD21 ASN A 38 -4.823 5.473 -12.691 1.00 2.30 H ATOM 583 HD22 ASN A 38 -6.319 5.900 -13.371 1.00 2.78 H ATOM 584 N LEU A 39 -2.409 4.524 -9.987 1.00 0.28 N ATOM 585 CA LEU A 39 -0.992 4.366 -9.568 1.00 0.29 C ATOM 586 C LEU A 39 -0.126 5.372 -10.331 1.00 0.31 C ATOM 587 O LEU A 39 0.144 5.204 -11.504 1.00 0.34 O ATOM 588 CB LEU A 39 -0.509 2.942 -9.878 1.00 0.31 C ATOM 589 CG LEU A 39 -1.198 1.905 -8.971 1.00 0.32 C ATOM 590 CD1 LEU A 39 -0.841 2.153 -7.491 1.00 0.36 C ATOM 591 CD2 LEU A 39 -2.724 1.939 -9.194 1.00 0.31 C ATOM 592 H LEU A 39 -2.800 3.911 -10.644 1.00 0.31 H ATOM 593 HA LEU A 39 -0.909 4.555 -8.513 1.00 0.28 H ATOM 594 HB2 LEU A 39 -0.729 2.711 -10.909 1.00 0.34 H ATOM 595 HB3 LEU A 39 0.559 2.890 -9.725 1.00 0.33 H ATOM 596 HG LEU A 39 -0.833 0.924 -9.243 1.00 0.37 H ATOM 597 HD11 LEU A 39 -1.524 2.857 -7.043 1.00 1.03 H ATOM 598 HD12 LEU A 39 0.161 2.545 -7.429 1.00 1.09 H ATOM 599 HD13 LEU A 39 -0.890 1.218 -6.954 1.00 1.11 H ATOM 600 HD21 LEU A 39 -3.145 0.986 -8.906 1.00 1.00 H ATOM 601 HD22 LEU A 39 -2.925 2.113 -10.240 1.00 1.09 H ATOM 602 HD23 LEU A 39 -3.180 2.722 -8.611 1.00 1.10 H ATOM 603 N THR A 40 0.308 6.417 -9.669 1.00 0.33 N ATOM 604 CA THR A 40 1.157 7.445 -10.340 1.00 0.38 C ATOM 605 C THR A 40 2.290 7.871 -9.399 1.00 0.45 C ATOM 606 O THR A 40 3.287 7.188 -9.278 1.00 0.69 O ATOM 607 CB THR A 40 0.296 8.661 -10.687 1.00 0.40 C ATOM 608 OG1 THR A 40 -0.290 9.177 -9.500 1.00 0.44 O ATOM 609 CG2 THR A 40 -0.805 8.246 -11.664 1.00 0.46 C ATOM 610 H THR A 40 0.070 6.526 -8.728 1.00 0.34 H ATOM 611 HA THR A 40 1.581 7.035 -11.244 1.00 0.41 H ATOM 612 HB THR A 40 0.911 9.420 -11.145 1.00 0.45 H ATOM 613 HG1 THR A 40 -1.018 8.601 -9.255 1.00 1.05 H ATOM 614 HG21 THR A 40 -0.386 7.610 -12.429 1.00 1.16 H ATOM 615 HG22 THR A 40 -1.231 9.127 -12.121 1.00 1.05 H ATOM 616 HG23 THR A 40 -1.575 7.709 -11.131 1.00 1.04 H ATOM 617 N ALA A 41 2.141 8.998 -8.740 1.00 0.43 N ATOM 618 CA ALA A 41 3.207 9.488 -7.806 1.00 0.50 C ATOM 619 C ALA A 41 2.728 9.383 -6.356 1.00 0.41 C ATOM 620 O ALA A 41 3.272 8.637 -5.566 1.00 0.51 O ATOM 621 CB ALA A 41 3.522 10.951 -8.124 1.00 0.64 C ATOM 622 H ALA A 41 1.326 9.528 -8.863 1.00 0.54 H ATOM 623 HA ALA A 41 4.103 8.899 -7.928 1.00 0.57 H ATOM 624 HB1 ALA A 41 3.079 11.216 -9.073 1.00 1.19 H ATOM 625 HB2 ALA A 41 4.592 11.086 -8.175 1.00 1.13 H ATOM 626 HB3 ALA A 41 3.116 11.582 -7.348 1.00 1.32 H ATOM 627 N GLY A 42 1.716 10.126 -5.996 1.00 0.37 N ATOM 628 CA GLY A 42 1.207 10.071 -4.592 1.00 0.35 C ATOM 629 C GLY A 42 0.574 8.704 -4.320 1.00 0.25 C ATOM 630 O GLY A 42 -0.437 8.601 -3.653 1.00 0.26 O ATOM 631 H GLY A 42 1.292 10.724 -6.646 1.00 0.47 H ATOM 632 HA2 GLY A 42 2.027 10.231 -3.907 1.00 0.40 H ATOM 633 HA3 GLY A 42 0.464 10.841 -4.450 1.00 0.44 H ATOM 634 N MET A 43 1.152 7.654 -4.835 1.00 0.21 N ATOM 635 CA MET A 43 0.578 6.301 -4.612 1.00 0.20 C ATOM 636 C MET A 43 0.560 5.987 -3.120 1.00 0.19 C ATOM 637 O MET A 43 -0.416 5.498 -2.597 1.00 0.21 O ATOM 638 CB MET A 43 1.446 5.263 -5.319 1.00 0.28 C ATOM 639 CG MET A 43 1.526 5.603 -6.802 1.00 0.33 C ATOM 640 SD MET A 43 2.253 4.215 -7.707 1.00 0.72 S ATOM 641 CE MET A 43 3.883 4.266 -6.925 1.00 0.36 C ATOM 642 H MET A 43 1.962 7.755 -5.372 1.00 0.25 H ATOM 643 HA MET A 43 -0.427 6.262 -5.005 1.00 0.23 H ATOM 644 HB2 MET A 43 2.437 5.269 -4.890 1.00 0.32 H ATOM 645 HB3 MET A 43 1.006 4.284 -5.199 1.00 0.35 H ATOM 646 HG2 MET A 43 0.537 5.800 -7.172 1.00 0.46 H ATOM 647 HG3 MET A 43 2.141 6.481 -6.935 1.00 0.36 H ATOM 648 HE1 MET A 43 3.847 3.730 -5.986 1.00 1.06 H ATOM 649 HE2 MET A 43 4.163 5.290 -6.743 1.00 1.16 H ATOM 650 HE3 MET A 43 4.610 3.807 -7.580 1.00 1.07 H ATOM 651 N TYR A 44 1.639 6.258 -2.438 1.00 0.18 N ATOM 652 CA TYR A 44 1.703 5.957 -0.979 1.00 0.20 C ATOM 653 C TYR A 44 0.566 6.670 -0.251 1.00 0.20 C ATOM 654 O TYR A 44 -0.127 6.086 0.559 1.00 0.24 O ATOM 655 CB TYR A 44 3.040 6.461 -0.427 1.00 0.21 C ATOM 656 CG TYR A 44 4.174 5.663 -1.026 1.00 0.22 C ATOM 657 CD1 TYR A 44 4.757 6.074 -2.230 1.00 0.25 C ATOM 658 CD2 TYR A 44 4.636 4.509 -0.383 1.00 0.23 C ATOM 659 CE1 TYR A 44 5.805 5.333 -2.789 1.00 0.29 C ATOM 660 CE2 TYR A 44 5.683 3.767 -0.942 1.00 0.27 C ATOM 661 CZ TYR A 44 6.268 4.179 -2.145 1.00 0.30 C ATOM 662 OH TYR A 44 7.300 3.448 -2.696 1.00 0.35 O ATOM 663 H TYR A 44 2.416 6.647 -2.890 1.00 0.18 H ATOM 664 HA TYR A 44 1.626 4.892 -0.823 1.00 0.22 H ATOM 665 HB2 TYR A 44 3.161 7.504 -0.679 1.00 0.22 H ATOM 666 HB3 TYR A 44 3.050 6.347 0.647 1.00 0.22 H ATOM 667 HD1 TYR A 44 4.401 6.965 -2.726 1.00 0.27 H ATOM 668 HD2 TYR A 44 4.190 4.195 0.546 1.00 0.24 H ATOM 669 HE1 TYR A 44 6.257 5.652 -3.716 1.00 0.33 H ATOM 670 HE2 TYR A 44 6.038 2.877 -0.446 1.00 0.31 H ATOM 671 HH TYR A 44 7.474 3.796 -3.574 1.00 0.97 H ATOM 672 N CYS A 45 0.368 7.926 -0.527 1.00 0.20 N ATOM 673 CA CYS A 45 -0.722 8.671 0.157 1.00 0.23 C ATOM 674 C CYS A 45 -2.078 8.153 -0.316 1.00 0.18 C ATOM 675 O CYS A 45 -2.934 7.820 0.479 1.00 0.18 O ATOM 676 CB CYS A 45 -0.596 10.162 -0.155 1.00 0.28 C ATOM 677 SG CYS A 45 0.939 10.796 0.566 1.00 0.58 S ATOM 678 H CYS A 45 0.940 8.381 -1.180 1.00 0.20 H ATOM 679 HA CYS A 45 -0.643 8.518 1.221 1.00 0.28 H ATOM 680 HB2 CYS A 45 -0.577 10.305 -1.226 1.00 0.36 H ATOM 681 HB3 CYS A 45 -1.437 10.691 0.265 1.00 0.34 H ATOM 682 N ALA A 46 -2.286 8.076 -1.599 1.00 0.18 N ATOM 683 CA ALA A 46 -3.592 7.570 -2.094 1.00 0.16 C ATOM 684 C ALA A 46 -3.794 6.147 -1.576 1.00 0.15 C ATOM 685 O ALA A 46 -4.863 5.778 -1.125 1.00 0.15 O ATOM 686 CB ALA A 46 -3.596 7.568 -3.623 1.00 0.19 C ATOM 687 H ALA A 46 -1.587 8.343 -2.231 1.00 0.19 H ATOM 688 HA ALA A 46 -4.385 8.204 -1.730 1.00 0.16 H ATOM 689 HB1 ALA A 46 -3.317 6.589 -3.981 1.00 1.05 H ATOM 690 HB2 ALA A 46 -2.889 8.299 -3.987 1.00 1.05 H ATOM 691 HB3 ALA A 46 -4.585 7.813 -3.981 1.00 1.00 H ATOM 692 N ALA A 47 -2.767 5.347 -1.630 1.00 0.17 N ATOM 693 CA ALA A 47 -2.889 3.950 -1.138 1.00 0.18 C ATOM 694 C ALA A 47 -3.174 3.951 0.361 1.00 0.17 C ATOM 695 O ALA A 47 -3.928 3.139 0.859 1.00 0.18 O ATOM 696 CB ALA A 47 -1.584 3.187 -1.398 1.00 0.21 C ATOM 697 H ALA A 47 -1.914 5.667 -1.991 1.00 0.19 H ATOM 698 HA ALA A 47 -3.701 3.469 -1.652 1.00 0.18 H ATOM 699 HB1 ALA A 47 -0.748 3.780 -1.066 1.00 1.06 H ATOM 700 HB2 ALA A 47 -1.487 2.984 -2.455 1.00 1.03 H ATOM 701 HB3 ALA A 47 -1.594 2.257 -0.851 1.00 0.99 H ATOM 702 N LEU A 48 -2.553 4.833 1.090 1.00 0.17 N ATOM 703 CA LEU A 48 -2.768 4.854 2.560 1.00 0.18 C ATOM 704 C LEU A 48 -4.240 5.110 2.888 1.00 0.17 C ATOM 705 O LEU A 48 -4.853 4.353 3.606 1.00 0.19 O ATOM 706 CB LEU A 48 -1.893 5.953 3.178 1.00 0.19 C ATOM 707 CG LEU A 48 -2.085 6.026 4.707 1.00 0.21 C ATOM 708 CD1 LEU A 48 -1.703 4.670 5.343 1.00 0.25 C ATOM 709 CD2 LEU A 48 -1.203 7.177 5.246 1.00 0.24 C ATOM 710 H LEU A 48 -1.932 5.466 0.675 1.00 0.18 H ATOM 711 HA LEU A 48 -2.475 3.899 2.961 1.00 0.20 H ATOM 712 HB2 LEU A 48 -0.858 5.740 2.958 1.00 0.22 H ATOM 713 HB3 LEU A 48 -2.160 6.905 2.742 1.00 0.19 H ATOM 714 HG LEU A 48 -3.120 6.242 4.931 1.00 0.22 H ATOM 715 HD11 LEU A 48 -2.542 3.995 5.271 1.00 1.00 H ATOM 716 HD12 LEU A 48 -1.451 4.792 6.384 1.00 1.05 H ATOM 717 HD13 LEU A 48 -0.861 4.250 4.815 1.00 1.09 H ATOM 718 HD21 LEU A 48 -1.772 8.095 5.224 1.00 0.98 H ATOM 719 HD22 LEU A 48 -0.331 7.288 4.621 1.00 0.99 H ATOM 720 HD23 LEU A 48 -0.889 6.983 6.259 1.00 1.14 H ATOM 721 N GLU A 49 -4.815 6.165 2.380 1.00 0.16 N ATOM 722 CA GLU A 49 -6.242 6.447 2.708 1.00 0.17 C ATOM 723 C GLU A 49 -7.108 5.250 2.334 1.00 0.17 C ATOM 724 O GLU A 49 -8.086 4.955 2.993 1.00 0.20 O ATOM 725 CB GLU A 49 -6.724 7.693 1.958 1.00 0.17 C ATOM 726 CG GLU A 49 -6.379 7.580 0.474 1.00 0.16 C ATOM 727 CD GLU A 49 -7.039 8.736 -0.282 1.00 0.42 C ATOM 728 OE1 GLU A 49 -8.110 9.150 0.129 1.00 1.20 O ATOM 729 OE2 GLU A 49 -6.468 9.184 -1.261 1.00 1.23 O ATOM 730 H GLU A 49 -4.310 6.775 1.802 1.00 0.15 H ATOM 731 HA GLU A 49 -6.328 6.623 3.771 1.00 0.19 H ATOM 732 HB2 GLU A 49 -7.795 7.785 2.071 1.00 0.19 H ATOM 733 HB3 GLU A 49 -6.245 8.568 2.371 1.00 0.19 H ATOM 734 HG2 GLU A 49 -5.307 7.630 0.349 1.00 0.31 H ATOM 735 HG3 GLU A 49 -6.745 6.642 0.087 1.00 0.34 H ATOM 736 N SER A 50 -6.771 4.553 1.290 1.00 0.17 N ATOM 737 CA SER A 50 -7.598 3.379 0.904 1.00 0.19 C ATOM 738 C SER A 50 -7.484 2.295 1.986 1.00 0.19 C ATOM 739 O SER A 50 -8.453 1.653 2.339 1.00 0.21 O ATOM 740 CB SER A 50 -7.097 2.820 -0.427 1.00 0.21 C ATOM 741 OG SER A 50 -7.035 3.869 -1.383 1.00 1.36 O ATOM 742 H SER A 50 -5.979 4.798 0.762 1.00 0.17 H ATOM 743 HA SER A 50 -8.631 3.689 0.806 1.00 0.20 H ATOM 744 HB2 SER A 50 -6.114 2.399 -0.296 1.00 1.01 H ATOM 745 HB3 SER A 50 -7.773 2.047 -0.768 1.00 0.98 H ATOM 746 HG SER A 50 -7.260 3.503 -2.241 1.00 1.92 H ATOM 747 N LEU A 51 -6.304 2.087 2.509 1.00 0.19 N ATOM 748 CA LEU A 51 -6.117 1.045 3.565 1.00 0.21 C ATOM 749 C LEU A 51 -6.795 1.496 4.860 1.00 0.22 C ATOM 750 O LEU A 51 -7.314 0.697 5.615 1.00 0.25 O ATOM 751 CB LEU A 51 -4.620 0.843 3.816 1.00 0.23 C ATOM 752 CG LEU A 51 -3.971 0.206 2.579 1.00 0.26 C ATOM 753 CD1 LEU A 51 -2.454 0.168 2.762 1.00 0.30 C ATOM 754 CD2 LEU A 51 -4.491 -1.225 2.369 1.00 0.29 C ATOM 755 H LEU A 51 -5.536 2.616 2.206 1.00 0.19 H ATOM 756 HA LEU A 51 -6.557 0.116 3.236 1.00 0.23 H ATOM 757 HB2 LEU A 51 -4.161 1.802 4.008 1.00 0.25 H ATOM 758 HB3 LEU A 51 -4.479 0.202 4.673 1.00 0.25 H ATOM 759 HG LEU A 51 -4.207 0.803 1.709 1.00 0.26 H ATOM 760 HD11 LEU A 51 -2.198 -0.578 3.499 1.00 1.09 H ATOM 761 HD12 LEU A 51 -2.108 1.136 3.093 1.00 0.97 H ATOM 762 HD13 LEU A 51 -1.984 -0.079 1.821 1.00 1.03 H ATOM 763 HD21 LEU A 51 -5.353 -1.202 1.719 1.00 1.01 H ATOM 764 HD22 LEU A 51 -4.767 -1.661 3.317 1.00 1.06 H ATOM 765 HD23 LEU A 51 -3.717 -1.823 1.912 1.00 1.03 H ATOM 766 N ILE A 52 -6.793 2.773 5.121 1.00 0.22 N ATOM 767 CA ILE A 52 -7.435 3.288 6.363 1.00 0.25 C ATOM 768 C ILE A 52 -8.893 2.805 6.408 1.00 0.25 C ATOM 769 O ILE A 52 -9.532 2.813 7.442 1.00 0.28 O ATOM 770 CB ILE A 52 -7.367 4.827 6.348 1.00 0.26 C ATOM 771 CG1 ILE A 52 -5.917 5.308 6.586 1.00 0.29 C ATOM 772 CG2 ILE A 52 -8.304 5.432 7.397 1.00 0.28 C ATOM 773 CD1 ILE A 52 -5.365 4.852 7.948 1.00 0.36 C ATOM 774 H ILE A 52 -6.368 3.397 4.497 1.00 0.22 H ATOM 775 HA ILE A 52 -6.911 2.904 7.223 1.00 0.28 H ATOM 776 HB ILE A 52 -7.686 5.169 5.373 1.00 0.27 H ATOM 777 HG12 ILE A 52 -5.287 4.909 5.815 1.00 0.32 H ATOM 778 HG13 ILE A 52 -5.890 6.385 6.537 1.00 0.34 H ATOM 779 HG21 ILE A 52 -8.453 4.736 8.205 1.00 1.04 H ATOM 780 HG22 ILE A 52 -9.251 5.652 6.935 1.00 1.03 H ATOM 781 HG23 ILE A 52 -7.872 6.345 7.782 1.00 1.09 H ATOM 782 HD11 ILE A 52 -6.169 4.629 8.626 1.00 1.11 H ATOM 783 HD12 ILE A 52 -4.756 5.640 8.366 1.00 1.12 H ATOM 784 HD13 ILE A 52 -4.758 3.969 7.809 1.00 1.03 H ATOM 785 N ASN A 53 -9.423 2.365 5.299 1.00 0.25 N ATOM 786 CA ASN A 53 -10.831 1.871 5.297 1.00 0.27 C ATOM 787 C ASN A 53 -10.859 0.407 5.754 1.00 0.26 C ATOM 788 O ASN A 53 -11.892 -0.117 6.122 1.00 0.31 O ATOM 789 CB ASN A 53 -11.408 1.976 3.882 1.00 0.31 C ATOM 790 CG ASN A 53 -11.420 3.441 3.443 1.00 0.36 C ATOM 791 OD1 ASN A 53 -10.381 4.024 3.206 1.00 1.09 O ATOM 792 ND2 ASN A 53 -12.560 4.064 3.320 1.00 1.20 N ATOM 793 H ASN A 53 -8.895 2.349 4.474 1.00 0.25 H ATOM 794 HA ASN A 53 -11.423 2.470 5.973 1.00 0.30 H ATOM 795 HB2 ASN A 53 -10.800 1.399 3.200 1.00 0.30 H ATOM 796 HB3 ASN A 53 -12.417 1.593 3.877 1.00 0.33 H ATOM 797 HD21 ASN A 53 -13.399 3.593 3.507 1.00 1.99 H ATOM 798 HD22 ASN A 53 -12.577 5.002 3.039 1.00 1.23 H ATOM 799 N VAL A 54 -9.732 -0.255 5.740 1.00 0.23 N ATOM 800 CA VAL A 54 -9.695 -1.682 6.180 1.00 0.24 C ATOM 801 C VAL A 54 -9.387 -1.739 7.677 1.00 0.29 C ATOM 802 O VAL A 54 -8.376 -1.233 8.123 1.00 0.33 O ATOM 803 CB VAL A 54 -8.604 -2.430 5.406 1.00 0.23 C ATOM 804 CG1 VAL A 54 -8.633 -3.922 5.755 1.00 0.28 C ATOM 805 CG2 VAL A 54 -8.842 -2.252 3.908 1.00 0.26 C ATOM 806 H VAL A 54 -8.909 0.186 5.444 1.00 0.22 H ATOM 807 HA VAL A 54 -10.655 -2.139 5.990 1.00 0.28 H ATOM 808 HB VAL A 54 -7.639 -2.021 5.666 1.00 0.27 H ATOM 809 HG11 VAL A 54 -8.191 -4.487 4.948 1.00 1.04 H ATOM 810 HG12 VAL A 54 -9.653 -4.244 5.901 1.00 1.06 H ATOM 811 HG13 VAL A 54 -8.069 -4.090 6.661 1.00 1.06 H ATOM 812 HG21 VAL A 54 -8.029 -2.702 3.357 1.00 1.06 H ATOM 813 HG22 VAL A 54 -8.894 -1.199 3.681 1.00 1.02 H ATOM 814 HG23 VAL A 54 -9.772 -2.728 3.631 1.00 1.06 H ATOM 815 N SER A 55 -10.256 -2.345 8.448 1.00 0.36 N ATOM 816 CA SER A 55 -10.037 -2.441 9.925 1.00 0.44 C ATOM 817 C SER A 55 -10.172 -3.898 10.373 1.00 0.45 C ATOM 818 O SER A 55 -10.970 -4.648 9.846 1.00 0.45 O ATOM 819 CB SER A 55 -11.084 -1.591 10.645 1.00 0.56 C ATOM 820 OG SER A 55 -10.814 -0.215 10.409 1.00 0.59 O ATOM 821 H SER A 55 -11.063 -2.737 8.052 1.00 0.38 H ATOM 822 HA SER A 55 -9.051 -2.083 10.178 1.00 0.45 H ATOM 823 HB2 SER A 55 -12.065 -1.829 10.268 1.00 0.59 H ATOM 824 HB3 SER A 55 -11.048 -1.799 11.706 1.00 0.65 H ATOM 825 HG SER A 55 -10.717 -0.090 9.462 1.00 1.01 H ATOM 826 N GLY A 56 -9.396 -4.300 11.346 1.00 0.48 N ATOM 827 CA GLY A 56 -9.472 -5.706 11.841 1.00 0.50 C ATOM 828 C GLY A 56 -8.373 -6.548 11.189 1.00 0.46 C ATOM 829 O GLY A 56 -8.270 -7.734 11.434 1.00 0.77 O ATOM 830 H GLY A 56 -8.763 -3.674 11.754 1.00 0.51 H ATOM 831 HA2 GLY A 56 -9.342 -5.714 12.913 1.00 0.54 H ATOM 832 HA3 GLY A 56 -10.436 -6.126 11.594 1.00 0.51 H ATOM 833 N CYS A 57 -7.555 -5.940 10.364 1.00 0.35 N ATOM 834 CA CYS A 57 -6.452 -6.689 9.685 1.00 0.32 C ATOM 835 C CYS A 57 -5.098 -6.236 10.242 1.00 0.34 C ATOM 836 O CYS A 57 -4.529 -5.261 9.797 1.00 0.37 O ATOM 837 CB CYS A 57 -6.498 -6.406 8.183 1.00 0.32 C ATOM 838 SG CYS A 57 -8.093 -6.934 7.512 1.00 0.37 S ATOM 839 H CYS A 57 -7.667 -4.982 10.190 1.00 0.56 H ATOM 840 HA CYS A 57 -6.568 -7.749 9.850 1.00 0.33 H ATOM 841 HB2 CYS A 57 -6.369 -5.348 8.012 1.00 0.38 H ATOM 842 HB3 CYS A 57 -5.706 -6.951 7.691 1.00 0.32 H ATOM 843 N SER A 58 -4.576 -6.938 11.209 1.00 0.37 N ATOM 844 CA SER A 58 -3.255 -6.550 11.783 1.00 0.43 C ATOM 845 C SER A 58 -2.143 -6.906 10.792 1.00 0.43 C ATOM 846 O SER A 58 -1.110 -6.268 10.744 1.00 0.49 O ATOM 847 CB SER A 58 -3.025 -7.297 13.096 1.00 0.53 C ATOM 848 OG SER A 58 -1.725 -6.994 13.585 1.00 0.61 O ATOM 849 H SER A 58 -5.048 -7.724 11.554 1.00 0.37 H ATOM 850 HA SER A 58 -3.243 -5.485 11.967 1.00 0.44 H ATOM 851 HB2 SER A 58 -3.758 -6.987 13.822 1.00 0.57 H ATOM 852 HB3 SER A 58 -3.118 -8.361 12.925 1.00 0.55 H ATOM 853 HG SER A 58 -1.504 -6.101 13.309 1.00 1.20 H ATOM 854 N ALA A 59 -2.341 -7.931 10.011 1.00 0.43 N ATOM 855 CA ALA A 59 -1.292 -8.343 9.037 1.00 0.50 C ATOM 856 C ALA A 59 -0.856 -7.143 8.189 1.00 0.47 C ATOM 857 O ALA A 59 0.244 -7.120 7.671 1.00 0.61 O ATOM 858 CB ALA A 59 -1.852 -9.436 8.123 1.00 0.51 C ATOM 859 H ALA A 59 -3.176 -8.439 10.074 1.00 0.43 H ATOM 860 HA ALA A 59 -0.438 -8.730 9.573 1.00 0.59 H ATOM 861 HB1 ALA A 59 -1.795 -9.111 7.095 1.00 1.13 H ATOM 862 HB2 ALA A 59 -2.883 -9.629 8.382 1.00 1.19 H ATOM 863 HB3 ALA A 59 -1.275 -10.340 8.247 1.00 1.08 H ATOM 864 N ILE A 60 -1.710 -6.154 8.041 1.00 0.36 N ATOM 865 CA ILE A 60 -1.354 -4.949 7.220 1.00 0.38 C ATOM 866 C ILE A 60 -1.147 -3.725 8.122 1.00 0.37 C ATOM 867 O ILE A 60 -0.850 -2.647 7.647 1.00 0.32 O ATOM 868 CB ILE A 60 -2.475 -4.666 6.209 1.00 0.41 C ATOM 869 CG1 ILE A 60 -3.797 -4.399 6.941 1.00 0.41 C ATOM 870 CG2 ILE A 60 -2.644 -5.871 5.278 1.00 0.46 C ATOM 871 CD1 ILE A 60 -4.883 -4.057 5.920 1.00 0.50 C ATOM 872 H ILE A 60 -2.590 -6.206 8.469 1.00 0.36 H ATOM 873 HA ILE A 60 -0.439 -5.138 6.679 1.00 0.44 H ATOM 874 HB ILE A 60 -2.209 -3.798 5.621 1.00 0.45 H ATOM 875 HG12 ILE A 60 -4.084 -5.278 7.492 1.00 0.41 H ATOM 876 HG13 ILE A 60 -3.681 -3.571 7.622 1.00 0.39 H ATOM 877 HG21 ILE A 60 -1.677 -6.305 5.069 1.00 1.18 H ATOM 878 HG22 ILE A 60 -3.099 -5.550 4.353 1.00 1.05 H ATOM 879 HG23 ILE A 60 -3.274 -6.610 5.750 1.00 1.04 H ATOM 880 HD11 ILE A 60 -5.761 -3.699 6.436 1.00 1.16 H ATOM 881 HD12 ILE A 60 -5.134 -4.939 5.351 1.00 1.12 H ATOM 882 HD13 ILE A 60 -4.520 -3.289 5.253 1.00 1.14 H ATOM 883 N GLU A 61 -1.300 -3.867 9.411 1.00 0.43 N ATOM 884 CA GLU A 61 -1.106 -2.685 10.305 1.00 0.44 C ATOM 885 C GLU A 61 0.296 -2.118 10.092 1.00 0.37 C ATOM 886 O GLU A 61 0.477 -0.934 9.892 1.00 0.35 O ATOM 887 CB GLU A 61 -1.259 -3.109 11.770 1.00 0.56 C ATOM 888 CG GLU A 61 -2.574 -2.566 12.331 1.00 1.38 C ATOM 889 CD GLU A 61 -2.704 -2.970 13.801 1.00 1.74 C ATOM 890 OE1 GLU A 61 -1.680 -3.180 14.430 1.00 2.26 O ATOM 891 OE2 GLU A 61 -3.825 -3.056 14.275 1.00 2.22 O ATOM 892 H GLU A 61 -1.542 -4.739 9.788 1.00 0.48 H ATOM 893 HA GLU A 61 -1.841 -1.930 10.069 1.00 0.47 H ATOM 894 HB2 GLU A 61 -1.259 -4.186 11.833 1.00 0.92 H ATOM 895 HB3 GLU A 61 -0.435 -2.716 12.346 1.00 1.22 H ATOM 896 HG2 GLU A 61 -2.580 -1.488 12.252 1.00 2.08 H ATOM 897 HG3 GLU A 61 -3.402 -2.974 11.772 1.00 1.87 H ATOM 898 N LYS A 62 1.286 -2.960 10.127 1.00 0.35 N ATOM 899 CA LYS A 62 2.683 -2.492 9.919 1.00 0.33 C ATOM 900 C LYS A 62 2.798 -1.849 8.535 1.00 0.27 C ATOM 901 O LYS A 62 3.480 -0.860 8.351 1.00 0.27 O ATOM 902 CB LYS A 62 3.621 -3.693 10.015 1.00 0.36 C ATOM 903 CG LYS A 62 3.565 -4.253 11.438 1.00 0.43 C ATOM 904 CD LYS A 62 4.485 -5.469 11.549 1.00 0.60 C ATOM 905 CE LYS A 62 4.378 -6.058 12.956 1.00 1.13 C ATOM 906 NZ LYS A 62 5.212 -7.289 13.043 1.00 1.84 N ATOM 907 H LYS A 62 1.111 -3.911 10.284 1.00 0.38 H ATOM 908 HA LYS A 62 2.940 -1.768 10.679 1.00 0.37 H ATOM 909 HB2 LYS A 62 3.309 -4.453 9.313 1.00 0.34 H ATOM 910 HB3 LYS A 62 4.630 -3.383 9.791 1.00 0.37 H ATOM 911 HG2 LYS A 62 3.892 -3.493 12.133 1.00 0.49 H ATOM 912 HG3 LYS A 62 2.553 -4.544 11.673 1.00 0.58 H ATOM 913 HD2 LYS A 62 4.186 -6.212 10.823 1.00 1.04 H ATOM 914 HD3 LYS A 62 5.504 -5.170 11.361 1.00 0.99 H ATOM 915 HE2 LYS A 62 4.726 -5.334 13.678 1.00 1.68 H ATOM 916 HE3 LYS A 62 3.348 -6.306 13.164 1.00 1.74 H ATOM 917 HZ1 LYS A 62 4.630 -8.079 13.387 1.00 2.27 H ATOM 918 HZ2 LYS A 62 6.001 -7.127 13.702 1.00 2.23 H ATOM 919 HZ3 LYS A 62 5.587 -7.522 12.102 1.00 2.42 H ATOM 920 N THR A 63 2.139 -2.411 7.557 1.00 0.24 N ATOM 921 CA THR A 63 2.212 -1.846 6.179 1.00 0.21 C ATOM 922 C THR A 63 1.746 -0.392 6.209 1.00 0.21 C ATOM 923 O THR A 63 2.333 0.466 5.585 1.00 0.19 O ATOM 924 CB THR A 63 1.287 -2.655 5.257 1.00 0.22 C ATOM 925 OG1 THR A 63 1.637 -4.029 5.337 1.00 0.25 O ATOM 926 CG2 THR A 63 1.428 -2.190 3.800 1.00 0.24 C ATOM 927 H THR A 63 1.600 -3.212 7.728 1.00 0.26 H ATOM 928 HA THR A 63 3.227 -1.899 5.815 1.00 0.21 H ATOM 929 HB THR A 63 0.263 -2.526 5.573 1.00 0.24 H ATOM 930 HG1 THR A 63 2.472 -4.149 4.879 1.00 0.93 H ATOM 931 HG21 THR A 63 1.497 -1.115 3.753 1.00 1.00 H ATOM 932 HG22 THR A 63 0.565 -2.514 3.238 1.00 1.06 H ATOM 933 HG23 THR A 63 2.318 -2.624 3.373 1.00 1.06 H ATOM 934 N GLN A 64 0.697 -0.102 6.918 1.00 0.25 N ATOM 935 CA GLN A 64 0.211 1.299 6.955 1.00 0.28 C ATOM 936 C GLN A 64 1.317 2.192 7.515 1.00 0.28 C ATOM 937 O GLN A 64 1.540 3.289 7.042 1.00 0.29 O ATOM 938 CB GLN A 64 -1.033 1.386 7.841 1.00 0.35 C ATOM 939 CG GLN A 64 -2.165 0.576 7.204 1.00 0.38 C ATOM 940 CD GLN A 64 -3.443 0.741 8.028 1.00 0.86 C ATOM 941 OE1 GLN A 64 -3.390 0.893 9.232 1.00 1.52 O ATOM 942 NE2 GLN A 64 -4.599 0.719 7.422 1.00 1.47 N ATOM 943 H GLN A 64 0.226 -0.804 7.414 1.00 0.27 H ATOM 944 HA GLN A 64 -0.038 1.621 5.956 1.00 0.27 H ATOM 945 HB2 GLN A 64 -0.805 0.985 8.816 1.00 0.38 H ATOM 946 HB3 GLN A 64 -1.339 2.417 7.934 1.00 0.38 H ATOM 947 HG2 GLN A 64 -2.336 0.923 6.196 1.00 0.87 H ATOM 948 HG3 GLN A 64 -1.888 -0.469 7.183 1.00 0.82 H ATOM 949 HE21 GLN A 64 -4.640 0.597 6.450 1.00 1.77 H ATOM 950 HE22 GLN A 64 -5.425 0.827 7.937 1.00 1.97 H ATOM 951 N ARG A 65 2.021 1.729 8.510 1.00 0.31 N ATOM 952 CA ARG A 65 3.121 2.552 9.086 1.00 0.35 C ATOM 953 C ARG A 65 4.220 2.785 8.044 1.00 0.30 C ATOM 954 O ARG A 65 4.659 3.898 7.838 1.00 0.30 O ATOM 955 CB ARG A 65 3.727 1.830 10.291 1.00 0.43 C ATOM 956 CG ARG A 65 3.132 2.382 11.588 1.00 1.34 C ATOM 957 CD ARG A 65 3.776 1.676 12.781 1.00 1.54 C ATOM 958 NE ARG A 65 4.952 2.466 13.244 1.00 2.29 N ATOM 959 CZ ARG A 65 5.480 2.226 14.412 1.00 2.82 C ATOM 960 NH1 ARG A 65 4.986 1.285 15.168 1.00 2.91 N ATOM 961 NH2 ARG A 65 6.503 2.925 14.822 1.00 3.77 N ATOM 962 H ARG A 65 1.831 0.839 8.872 1.00 0.33 H ATOM 963 HA ARG A 65 2.724 3.504 9.401 1.00 0.38 H ATOM 964 HB2 ARG A 65 3.509 0.773 10.218 1.00 0.97 H ATOM 965 HB3 ARG A 65 4.797 1.975 10.296 1.00 1.03 H ATOM 966 HG2 ARG A 65 3.330 3.443 11.653 1.00 1.99 H ATOM 967 HG3 ARG A 65 2.067 2.211 11.601 1.00 2.01 H ATOM 968 HD2 ARG A 65 3.058 1.595 13.583 1.00 1.84 H ATOM 969 HD3 ARG A 65 4.100 0.689 12.485 1.00 1.90 H ATOM 970 HE ARG A 65 5.326 3.170 12.673 1.00 2.82 H ATOM 971 HH11 ARG A 65 4.203 0.749 14.852 1.00 2.65 H ATOM 972 HH12 ARG A 65 5.390 1.100 16.064 1.00 3.59 H ATOM 973 HH21 ARG A 65 6.882 3.645 14.241 1.00 4.19 H ATOM 974 HH22 ARG A 65 6.908 2.740 15.718 1.00 4.29 H ATOM 975 N MET A 66 4.685 1.748 7.399 1.00 0.28 N ATOM 976 CA MET A 66 5.771 1.936 6.394 1.00 0.27 C ATOM 977 C MET A 66 5.287 2.871 5.281 1.00 0.23 C ATOM 978 O MET A 66 6.018 3.722 4.815 1.00 0.24 O ATOM 979 CB MET A 66 6.175 0.580 5.800 1.00 0.29 C ATOM 980 CG MET A 66 6.899 -0.257 6.866 1.00 0.36 C ATOM 981 SD MET A 66 7.682 -1.701 6.099 1.00 0.66 S ATOM 982 CE MET A 66 6.208 -2.742 5.953 1.00 0.39 C ATOM 983 H MET A 66 4.334 0.852 7.585 1.00 0.29 H ATOM 984 HA MET A 66 6.626 2.384 6.879 1.00 0.30 H ATOM 985 HB2 MET A 66 5.291 0.058 5.467 1.00 0.28 H ATOM 986 HB3 MET A 66 6.837 0.738 4.961 1.00 0.31 H ATOM 987 HG2 MET A 66 7.656 0.343 7.348 1.00 0.41 H ATOM 988 HG3 MET A 66 6.183 -0.590 7.604 1.00 0.41 H ATOM 989 HE1 MET A 66 6.487 -3.699 5.534 1.00 1.16 H ATOM 990 HE2 MET A 66 5.489 -2.267 5.308 1.00 1.13 H ATOM 991 HE3 MET A 66 5.772 -2.886 6.932 1.00 1.04 H ATOM 992 N LEU A 67 4.059 2.732 4.860 1.00 0.20 N ATOM 993 CA LEU A 67 3.534 3.628 3.788 1.00 0.20 C ATOM 994 C LEU A 67 3.566 5.075 4.287 1.00 0.22 C ATOM 995 O LEU A 67 3.893 5.987 3.555 1.00 0.24 O ATOM 996 CB LEU A 67 2.093 3.237 3.435 1.00 0.21 C ATOM 997 CG LEU A 67 2.052 1.851 2.762 1.00 0.20 C ATOM 998 CD1 LEU A 67 0.598 1.392 2.658 1.00 0.23 C ATOM 999 CD2 LEU A 67 2.644 1.902 1.346 1.00 0.22 C ATOM 1000 H LEU A 67 3.479 2.047 5.255 1.00 0.21 H ATOM 1001 HA LEU A 67 4.159 3.547 2.916 1.00 0.21 H ATOM 1002 HB2 LEU A 67 1.505 3.210 4.340 1.00 0.23 H ATOM 1003 HB3 LEU A 67 1.677 3.975 2.765 1.00 0.23 H ATOM 1004 HG LEU A 67 2.608 1.147 3.360 1.00 0.19 H ATOM 1005 HD11 LEU A 67 0.561 0.402 2.230 1.00 1.05 H ATOM 1006 HD12 LEU A 67 0.049 2.077 2.029 1.00 1.02 H ATOM 1007 HD13 LEU A 67 0.157 1.375 3.641 1.00 1.05 H ATOM 1008 HD21 LEU A 67 2.284 1.055 0.780 1.00 1.03 H ATOM 1009 HD22 LEU A 67 3.721 1.858 1.395 1.00 1.04 H ATOM 1010 HD23 LEU A 67 2.338 2.811 0.855 1.00 1.03 H ATOM 1011 N SER A 68 3.226 5.293 5.529 1.00 0.25 N ATOM 1012 CA SER A 68 3.239 6.681 6.071 1.00 0.29 C ATOM 1013 C SER A 68 4.645 7.265 5.930 1.00 0.28 C ATOM 1014 O SER A 68 4.815 8.435 5.650 1.00 0.31 O ATOM 1015 CB SER A 68 2.826 6.666 7.544 1.00 0.35 C ATOM 1016 OG SER A 68 1.433 6.394 7.636 1.00 0.39 O ATOM 1017 H SER A 68 2.964 4.544 6.105 1.00 0.26 H ATOM 1018 HA SER A 68 2.543 7.287 5.512 1.00 0.31 H ATOM 1019 HB2 SER A 68 3.372 5.898 8.065 1.00 0.34 H ATOM 1020 HB3 SER A 68 3.048 7.627 7.989 1.00 0.38 H ATOM 1021 HG SER A 68 1.306 5.715 8.302 1.00 0.95 H ATOM 1022 N GLY A 69 5.655 6.462 6.119 1.00 0.27 N ATOM 1023 CA GLY A 69 7.048 6.979 5.988 1.00 0.29 C ATOM 1024 C GLY A 69 7.192 7.724 4.657 1.00 0.29 C ATOM 1025 O GLY A 69 7.963 8.655 4.536 1.00 0.32 O ATOM 1026 H GLY A 69 5.498 5.520 6.341 1.00 0.27 H ATOM 1027 HA2 GLY A 69 7.260 7.653 6.806 1.00 0.31 H ATOM 1028 HA3 GLY A 69 7.742 6.153 6.011 1.00 0.31 H ATOM 1029 N PHE A 70 6.452 7.322 3.658 1.00 0.27 N ATOM 1030 CA PHE A 70 6.535 8.006 2.333 1.00 0.31 C ATOM 1031 C PHE A 70 5.415 9.042 2.230 1.00 0.35 C ATOM 1032 O PHE A 70 5.325 9.781 1.269 1.00 0.48 O ATOM 1033 CB PHE A 70 6.342 6.976 1.218 1.00 0.31 C ATOM 1034 CG PHE A 70 7.493 6.003 1.205 1.00 0.29 C ATOM 1035 CD1 PHE A 70 7.430 4.837 1.975 1.00 0.30 C ATOM 1036 CD2 PHE A 70 8.619 6.263 0.417 1.00 0.31 C ATOM 1037 CE1 PHE A 70 8.494 3.930 1.959 1.00 0.31 C ATOM 1038 CE2 PHE A 70 9.683 5.355 0.397 1.00 0.32 C ATOM 1039 CZ PHE A 70 9.621 4.188 1.169 1.00 0.32 C ATOM 1040 H PHE A 70 5.834 6.571 3.780 1.00 0.26 H ATOM 1041 HA PHE A 70 7.495 8.488 2.225 1.00 0.34 H ATOM 1042 HB2 PHE A 70 5.420 6.438 1.385 1.00 0.32 H ATOM 1043 HB3 PHE A 70 6.292 7.485 0.267 1.00 0.32 H ATOM 1044 HD1 PHE A 70 6.560 4.639 2.585 1.00 0.32 H ATOM 1045 HD2 PHE A 70 8.666 7.163 -0.178 1.00 0.33 H ATOM 1046 HE1 PHE A 70 8.446 3.030 2.554 1.00 0.33 H ATOM 1047 HE2 PHE A 70 10.552 5.556 -0.212 1.00 0.35 H ATOM 1048 HZ PHE A 70 10.440 3.486 1.153 1.00 0.34 H ATOM 1049 N CYS A 71 4.549 9.073 3.206 1.00 0.32 N ATOM 1050 CA CYS A 71 3.400 10.025 3.186 1.00 0.41 C ATOM 1051 C CYS A 71 3.247 10.669 4.583 1.00 0.41 C ATOM 1052 O CYS A 71 2.523 10.158 5.413 1.00 0.53 O ATOM 1053 CB CYS A 71 2.140 9.228 2.854 1.00 0.65 C ATOM 1054 SG CYS A 71 0.780 10.365 2.534 1.00 1.28 S ATOM 1055 H CYS A 71 4.643 8.447 3.954 1.00 0.32 H ATOM 1056 HA CYS A 71 3.548 10.775 2.427 1.00 0.48 H ATOM 1057 HB2 CYS A 71 2.319 8.624 1.976 1.00 0.91 H ATOM 1058 HB3 CYS A 71 1.888 8.589 3.684 1.00 0.87 H ATOM 1059 N PRO A 72 3.943 11.757 4.866 1.00 0.46 N ATOM 1060 CA PRO A 72 3.866 12.398 6.217 1.00 0.67 C ATOM 1061 C PRO A 72 2.474 12.909 6.632 1.00 0.74 C ATOM 1062 O PRO A 72 2.255 13.180 7.796 1.00 1.04 O ATOM 1063 CB PRO A 72 4.837 13.571 6.089 1.00 0.84 C ATOM 1064 CG PRO A 72 5.549 13.483 4.737 1.00 0.73 C ATOM 1065 CD PRO A 72 4.854 12.419 3.888 1.00 0.51 C ATOM 1066 HA PRO A 72 4.241 11.720 6.964 1.00 0.76 H ATOM 1067 HB2 PRO A 72 4.289 14.501 6.151 1.00 0.95 H ATOM 1068 HB3 PRO A 72 5.566 13.524 6.882 1.00 1.03 H ATOM 1069 HG2 PRO A 72 5.496 14.440 4.237 1.00 0.84 H ATOM 1070 HG3 PRO A 72 6.581 13.207 4.886 1.00 0.79 H ATOM 1071 HD2 PRO A 72 4.293 12.885 3.088 1.00 0.53 H ATOM 1072 HD3 PRO A 72 5.567 11.710 3.499 1.00 0.50 H ATOM 1073 N HIS A 73 1.533 13.046 5.726 1.00 0.76 N ATOM 1074 CA HIS A 73 0.181 13.545 6.147 1.00 0.95 C ATOM 1075 C HIS A 73 -0.707 12.353 6.509 1.00 0.64 C ATOM 1076 O HIS A 73 -0.964 11.479 5.706 1.00 0.86 O ATOM 1077 CB HIS A 73 -0.462 14.382 5.033 1.00 1.53 C ATOM 1078 CG HIS A 73 -1.096 13.498 4.002 1.00 0.85 C ATOM 1079 ND1 HIS A 73 -2.428 13.115 4.063 1.00 0.78 N ATOM 1080 CD2 HIS A 73 -0.596 12.937 2.861 1.00 1.00 C ATOM 1081 CE1 HIS A 73 -2.679 12.354 2.981 1.00 1.09 C ATOM 1082 NE2 HIS A 73 -1.595 12.214 2.215 1.00 1.46 N ATOM 1083 H HIS A 73 1.711 12.824 4.788 1.00 0.86 H ATOM 1084 HA HIS A 73 0.293 14.167 7.024 1.00 1.18 H ATOM 1085 HB2 HIS A 73 -1.217 15.024 5.462 1.00 2.15 H ATOM 1086 HB3 HIS A 73 0.296 14.992 4.563 1.00 2.36 H ATOM 1087 HD1 HIS A 73 -3.070 13.358 4.763 1.00 1.01 H ATOM 1088 HD2 HIS A 73 0.425 13.033 2.520 1.00 1.15 H ATOM 1089 HE1 HIS A 73 -3.640 11.916 2.757 1.00 1.38 H ATOM 1090 N LYS A 74 -1.148 12.313 7.738 1.00 0.59 N ATOM 1091 CA LYS A 74 -1.996 11.185 8.217 1.00 0.72 C ATOM 1092 C LYS A 74 -3.410 11.324 7.655 1.00 0.55 C ATOM 1093 O LYS A 74 -3.828 12.402 7.280 1.00 0.62 O ATOM 1094 CB LYS A 74 -2.058 11.238 9.744 1.00 1.15 C ATOM 1095 CG LYS A 74 -0.637 11.225 10.314 1.00 1.42 C ATOM 1096 CD LYS A 74 -0.695 11.447 11.826 1.00 2.06 C ATOM 1097 CE LYS A 74 0.726 11.470 12.391 1.00 2.49 C ATOM 1098 NZ LYS A 74 0.685 11.899 13.817 1.00 3.26 N ATOM 1099 H LYS A 74 -0.901 13.027 8.361 1.00 0.83 H ATOM 1100 HA LYS A 74 -1.567 10.245 7.903 1.00 0.91 H ATOM 1101 HB2 LYS A 74 -2.565 12.140 10.053 1.00 1.22 H ATOM 1102 HB3 LYS A 74 -2.597 10.377 10.110 1.00 1.36 H ATOM 1103 HG2 LYS A 74 -0.174 10.271 10.107 1.00 1.61 H ATOM 1104 HG3 LYS A 74 -0.057 12.013 9.860 1.00 1.37 H ATOM 1105 HD2 LYS A 74 -1.180 12.391 12.031 1.00 2.40 H ATOM 1106 HD3 LYS A 74 -1.252 10.647 12.288 1.00 2.46 H ATOM 1107 HE2 LYS A 74 1.157 10.483 12.323 1.00 2.71 H ATOM 1108 HE3 LYS A 74 1.327 12.165 11.823 1.00 2.75 H ATOM 1109 HZ1 LYS A 74 1.599 11.693 14.268 1.00 3.58 H ATOM 1110 HZ2 LYS A 74 -0.071 11.383 14.312 1.00 3.72 H ATOM 1111 HZ3 LYS A 74 0.500 12.921 13.867 1.00 3.58 H ATOM 1112 N VAL A 75 -4.139 10.237 7.592 1.00 0.50 N ATOM 1113 CA VAL A 75 -5.532 10.282 7.054 1.00 0.38 C ATOM 1114 C VAL A 75 -6.484 9.564 8.019 1.00 0.40 C ATOM 1115 O VAL A 75 -6.238 8.447 8.431 1.00 0.54 O ATOM 1116 CB VAL A 75 -5.559 9.592 5.691 1.00 0.51 C ATOM 1117 CG1 VAL A 75 -6.947 9.747 5.072 1.00 1.20 C ATOM 1118 CG2 VAL A 75 -4.510 10.236 4.782 1.00 1.18 C ATOM 1119 H VAL A 75 -3.767 9.385 7.901 1.00 0.64 H ATOM 1120 HA VAL A 75 -5.851 11.306 6.942 1.00 0.36 H ATOM 1121 HB VAL A 75 -5.335 8.543 5.815 1.00 1.15 H ATOM 1122 HG11 VAL A 75 -7.354 8.772 4.847 1.00 1.80 H ATOM 1123 HG12 VAL A 75 -6.878 10.327 4.163 1.00 1.78 H ATOM 1124 HG13 VAL A 75 -7.592 10.253 5.771 1.00 1.72 H ATOM 1125 HG21 VAL A 75 -3.522 9.998 5.150 1.00 1.79 H ATOM 1126 HG22 VAL A 75 -4.644 11.307 4.783 1.00 1.70 H ATOM 1127 HG23 VAL A 75 -4.619 9.859 3.776 1.00 1.71 H ATOM 1128 N SER A 76 -7.574 10.196 8.374 1.00 0.36 N ATOM 1129 CA SER A 76 -8.548 9.553 9.306 1.00 0.43 C ATOM 1130 C SER A 76 -9.668 8.888 8.501 1.00 0.39 C ATOM 1131 O SER A 76 -9.847 9.151 7.329 1.00 0.38 O ATOM 1132 CB SER A 76 -9.156 10.610 10.228 1.00 0.53 C ATOM 1133 OG SER A 76 -10.012 11.456 9.472 1.00 1.38 O ATOM 1134 H SER A 76 -7.753 11.094 8.025 1.00 0.37 H ATOM 1135 HA SER A 76 -8.042 8.807 9.900 1.00 0.51 H ATOM 1136 HB2 SER A 76 -9.728 10.128 11.003 1.00 1.20 H ATOM 1137 HB3 SER A 76 -8.364 11.191 10.678 1.00 1.15 H ATOM 1138 HG SER A 76 -10.285 12.183 10.037 1.00 1.78 H ATOM 1139 N ALA A 77 -10.424 8.030 9.128 1.00 0.42 N ATOM 1140 CA ALA A 77 -11.537 7.343 8.414 1.00 0.44 C ATOM 1141 C ALA A 77 -12.586 8.369 7.983 1.00 0.44 C ATOM 1142 O ALA A 77 -13.584 8.024 7.383 1.00 0.53 O ATOM 1143 CB ALA A 77 -12.172 6.313 9.346 1.00 0.51 C ATOM 1144 H ALA A 77 -10.260 7.836 10.075 1.00 0.46 H ATOM 1145 HA ALA A 77 -11.152 6.846 7.540 1.00 0.45 H ATOM 1146 HB1 ALA A 77 -12.773 5.627 8.768 1.00 1.11 H ATOM 1147 HB2 ALA A 77 -12.795 6.818 10.069 1.00 1.22 H ATOM 1148 HB3 ALA A 77 -11.395 5.766 9.859 1.00 1.09 H ATOM 1149 N GLY A 78 -12.360 9.623 8.286 1.00 0.44 N ATOM 1150 CA GLY A 78 -13.330 10.693 7.899 1.00 0.49 C ATOM 1151 C GLY A 78 -12.708 11.579 6.817 1.00 0.47 C ATOM 1152 O GLY A 78 -13.398 12.135 5.985 1.00 0.51 O ATOM 1153 H GLY A 78 -11.542 9.863 8.769 1.00 0.49 H ATOM 1154 HA2 GLY A 78 -14.241 10.250 7.522 1.00 0.50 H ATOM 1155 HA3 GLY A 78 -13.558 11.298 8.762 1.00 0.55 H ATOM 1156 N GLN A 79 -11.410 11.721 6.825 1.00 0.45 N ATOM 1157 CA GLN A 79 -10.749 12.578 5.799 1.00 0.45 C ATOM 1158 C GLN A 79 -10.316 11.722 4.612 1.00 0.40 C ATOM 1159 O GLN A 79 -9.644 10.728 4.776 1.00 0.40 O ATOM 1160 CB GLN A 79 -9.513 13.237 6.399 1.00 0.50 C ATOM 1161 CG GLN A 79 -9.906 14.031 7.649 1.00 0.57 C ATOM 1162 CD GLN A 79 -9.366 15.463 7.564 1.00 1.52 C ATOM 1163 OE1 GLN A 79 -8.352 15.716 6.943 1.00 2.14 O ATOM 1164 NE2 GLN A 79 -10.006 16.420 8.177 1.00 2.15 N ATOM 1165 H GLN A 79 -10.871 11.267 7.506 1.00 0.45 H ATOM 1166 HA GLN A 79 -11.437 13.339 5.464 1.00 0.49 H ATOM 1167 HB2 GLN A 79 -8.798 12.472 6.665 1.00 0.49 H ATOM 1168 HB3 GLN A 79 -9.078 13.898 5.668 1.00 0.54 H ATOM 1169 HG2 GLN A 79 -10.982 14.058 7.731 1.00 1.10 H ATOM 1170 HG3 GLN A 79 -9.494 13.548 8.522 1.00 0.90 H ATOM 1171 HE21 GLN A 79 -10.821 16.217 8.684 1.00 2.12 H ATOM 1172 HE22 GLN A 79 -9.674 17.340 8.131 1.00 2.89 H ATOM 1173 N PHE A 80 -10.706 12.102 3.425 1.00 0.37 N ATOM 1174 CA PHE A 80 -10.322 11.323 2.212 1.00 0.34 C ATOM 1175 C PHE A 80 -9.754 12.258 1.141 1.00 0.35 C ATOM 1176 O PHE A 80 -10.118 13.416 1.078 1.00 0.41 O ATOM 1177 CB PHE A 80 -11.550 10.614 1.682 1.00 0.36 C ATOM 1178 CG PHE A 80 -12.018 9.609 2.706 1.00 0.37 C ATOM 1179 CD1 PHE A 80 -11.262 8.457 2.948 1.00 0.38 C ATOM 1180 CD2 PHE A 80 -13.211 9.823 3.404 1.00 0.42 C ATOM 1181 CE1 PHE A 80 -11.700 7.515 3.885 1.00 0.42 C ATOM 1182 CE2 PHE A 80 -13.653 8.879 4.340 1.00 0.45 C ATOM 1183 CZ PHE A 80 -12.898 7.724 4.579 1.00 0.45 C ATOM 1184 H PHE A 80 -11.254 12.909 3.330 1.00 0.40 H ATOM 1185 HA PHE A 80 -9.573 10.589 2.465 1.00 0.34 H ATOM 1186 HB2 PHE A 80 -12.332 11.335 1.492 1.00 0.39 H ATOM 1187 HB3 PHE A 80 -11.296 10.108 0.773 1.00 0.37 H ATOM 1188 HD1 PHE A 80 -10.334 8.298 2.416 1.00 0.38 H ATOM 1189 HD2 PHE A 80 -13.788 10.716 3.223 1.00 0.45 H ATOM 1190 HE1 PHE A 80 -11.118 6.623 4.069 1.00 0.45 H ATOM 1191 HE2 PHE A 80 -14.575 9.044 4.878 1.00 0.50 H ATOM 1192 HZ PHE A 80 -13.239 6.995 5.298 1.00 0.49 H ATOM 1193 N SER A 81 -8.859 11.761 0.309 1.00 0.34 N ATOM 1194 CA SER A 81 -8.255 12.611 -0.771 1.00 0.39 C ATOM 1195 C SER A 81 -8.487 12.001 -2.168 1.00 0.38 C ATOM 1196 O SER A 81 -8.888 12.686 -3.087 1.00 0.47 O ATOM 1197 CB SER A 81 -6.752 12.743 -0.527 1.00 0.45 C ATOM 1198 OG SER A 81 -6.534 13.209 0.798 1.00 0.53 O ATOM 1199 H SER A 81 -8.585 10.824 0.396 1.00 0.33 H ATOM 1200 HA SER A 81 -8.697 13.594 -0.747 1.00 0.43 H ATOM 1201 HB2 SER A 81 -6.278 11.785 -0.650 1.00 0.50 H ATOM 1202 HB3 SER A 81 -6.335 13.444 -1.239 1.00 0.50 H ATOM 1203 HG SER A 81 -7.324 13.673 1.083 1.00 0.98 H ATOM 1204 N SER A 82 -8.188 10.736 -2.351 1.00 0.34 N ATOM 1205 CA SER A 82 -8.338 10.113 -3.710 1.00 0.35 C ATOM 1206 C SER A 82 -9.684 9.396 -3.881 1.00 0.34 C ATOM 1207 O SER A 82 -9.986 8.895 -4.947 1.00 0.37 O ATOM 1208 CB SER A 82 -7.212 9.099 -3.919 1.00 0.38 C ATOM 1209 OG SER A 82 -7.116 8.782 -5.301 1.00 0.44 O ATOM 1210 H SER A 82 -7.828 10.207 -1.608 1.00 0.36 H ATOM 1211 HA SER A 82 -8.255 10.882 -4.460 1.00 0.40 H ATOM 1212 HB2 SER A 82 -6.279 9.520 -3.586 1.00 0.42 H ATOM 1213 HB3 SER A 82 -7.425 8.205 -3.347 1.00 0.39 H ATOM 1214 HG SER A 82 -7.678 8.022 -5.471 1.00 1.02 H ATOM 1215 N LEU A 83 -10.489 9.317 -2.865 1.00 0.33 N ATOM 1216 CA LEU A 83 -11.792 8.603 -3.017 1.00 0.35 C ATOM 1217 C LEU A 83 -12.864 9.549 -3.561 1.00 0.39 C ATOM 1218 O LEU A 83 -14.041 9.376 -3.313 1.00 0.42 O ATOM 1219 CB LEU A 83 -12.222 8.048 -1.663 1.00 0.37 C ATOM 1220 CG LEU A 83 -11.305 6.873 -1.274 1.00 0.54 C ATOM 1221 CD1 LEU A 83 -10.609 7.114 0.056 1.00 1.30 C ATOM 1222 CD2 LEU A 83 -12.157 5.631 -1.148 1.00 1.22 C ATOM 1223 H LEU A 83 -10.237 9.710 -2.003 1.00 0.33 H ATOM 1224 HA LEU A 83 -11.674 7.787 -3.711 1.00 0.37 H ATOM 1225 HB2 LEU A 83 -12.174 8.825 -0.929 1.00 0.44 H ATOM 1226 HB3 LEU A 83 -13.237 7.693 -1.731 1.00 0.38 H ATOM 1227 HG LEU A 83 -10.558 6.709 -2.031 1.00 1.48 H ATOM 1228 HD11 LEU A 83 -10.236 8.125 0.103 1.00 1.94 H ATOM 1229 HD12 LEU A 83 -9.781 6.424 0.154 1.00 1.80 H ATOM 1230 HD13 LEU A 83 -11.313 6.939 0.848 1.00 1.89 H ATOM 1231 HD21 LEU A 83 -12.626 5.434 -2.095 1.00 1.90 H ATOM 1232 HD22 LEU A 83 -12.916 5.784 -0.393 1.00 1.80 H ATOM 1233 HD23 LEU A 83 -11.525 4.807 -0.870 1.00 1.77 H ATOM 1234 N HIS A 84 -12.471 10.539 -4.314 1.00 0.44 N ATOM 1235 CA HIS A 84 -13.474 11.482 -4.887 1.00 0.50 C ATOM 1236 C HIS A 84 -14.122 10.843 -6.120 1.00 0.45 C ATOM 1237 O HIS A 84 -15.286 11.049 -6.401 1.00 0.46 O ATOM 1238 CB HIS A 84 -12.775 12.780 -5.289 1.00 0.60 C ATOM 1239 CG HIS A 84 -11.980 13.281 -4.120 1.00 0.60 C ATOM 1240 ND1 HIS A 84 -12.089 12.707 -2.866 1.00 0.53 N ATOM 1241 CD2 HIS A 84 -11.061 14.292 -3.994 1.00 0.90 C ATOM 1242 CE1 HIS A 84 -11.258 13.367 -2.046 1.00 0.52 C ATOM 1243 NE2 HIS A 84 -10.605 14.345 -2.680 1.00 0.80 N ATOM 1244 H HIS A 84 -11.519 10.655 -4.512 1.00 0.46 H ATOM 1245 HA HIS A 84 -14.232 11.693 -4.149 1.00 0.54 H ATOM 1246 HB2 HIS A 84 -12.115 12.594 -6.124 1.00 0.62 H ATOM 1247 HB3 HIS A 84 -13.513 13.518 -5.566 1.00 0.73 H ATOM 1248 HD1 HIS A 84 -12.668 11.955 -2.621 1.00 0.71 H ATOM 1249 HD2 HIS A 84 -10.739 14.944 -4.792 1.00 1.24 H ATOM 1250 HE1 HIS A 84 -11.130 13.132 -1.005 1.00 0.53 H ATOM 1251 N VAL A 85 -13.371 10.068 -6.854 1.00 0.47 N ATOM 1252 CA VAL A 85 -13.926 9.406 -8.073 1.00 0.48 C ATOM 1253 C VAL A 85 -14.759 8.193 -7.656 1.00 0.39 C ATOM 1254 O VAL A 85 -14.532 7.596 -6.623 1.00 0.37 O ATOM 1255 CB VAL A 85 -12.772 8.946 -8.983 1.00 0.59 C ATOM 1256 CG1 VAL A 85 -12.584 9.899 -10.175 1.00 1.29 C ATOM 1257 CG2 VAL A 85 -11.474 8.904 -8.174 1.00 1.54 C ATOM 1258 H VAL A 85 -12.437 9.919 -6.602 1.00 0.53 H ATOM 1259 HA VAL A 85 -14.563 10.098 -8.601 1.00 0.52 H ATOM 1260 HB VAL A 85 -12.990 7.956 -9.354 1.00 1.12 H ATOM 1261 HG11 VAL A 85 -12.847 10.909 -9.896 1.00 1.88 H ATOM 1262 HG12 VAL A 85 -13.209 9.577 -10.995 1.00 1.85 H ATOM 1263 HG13 VAL A 85 -11.550 9.876 -10.487 1.00 1.84 H ATOM 1264 HG21 VAL A 85 -11.188 9.909 -7.901 1.00 1.98 H ATOM 1265 HG22 VAL A 85 -10.693 8.459 -8.773 1.00 2.19 H ATOM 1266 HG23 VAL A 85 -11.624 8.316 -7.282 1.00 2.09 H ATOM 1267 N ARG A 86 -15.732 7.832 -8.450 1.00 0.41 N ATOM 1268 CA ARG A 86 -16.588 6.667 -8.094 1.00 0.41 C ATOM 1269 C ARG A 86 -16.034 5.392 -8.735 1.00 0.41 C ATOM 1270 O ARG A 86 -16.653 4.800 -9.597 1.00 0.50 O ATOM 1271 CB ARG A 86 -18.009 6.905 -8.603 1.00 0.54 C ATOM 1272 CG ARG A 86 -18.617 8.111 -7.887 1.00 0.60 C ATOM 1273 CD ARG A 86 -20.118 8.162 -8.169 1.00 0.89 C ATOM 1274 NE ARG A 86 -20.611 9.558 -8.007 1.00 1.58 N ATOM 1275 CZ ARG A 86 -21.786 9.889 -8.467 1.00 2.14 C ATOM 1276 NH1 ARG A 86 -22.536 8.989 -9.042 1.00 2.34 N ATOM 1277 NH2 ARG A 86 -22.212 11.116 -8.349 1.00 3.16 N ATOM 1278 H ARG A 86 -15.904 8.333 -9.274 1.00 0.47 H ATOM 1279 HA ARG A 86 -16.608 6.549 -7.021 1.00 0.41 H ATOM 1280 HB2 ARG A 86 -17.981 7.095 -9.667 1.00 0.58 H ATOM 1281 HB3 ARG A 86 -18.613 6.032 -8.410 1.00 0.61 H ATOM 1282 HG2 ARG A 86 -18.451 8.020 -6.823 1.00 0.68 H ATOM 1283 HG3 ARG A 86 -18.153 9.017 -8.249 1.00 0.64 H ATOM 1284 HD2 ARG A 86 -20.307 7.829 -9.178 1.00 1.47 H ATOM 1285 HD3 ARG A 86 -20.635 7.514 -7.475 1.00 1.38 H ATOM 1286 HE ARG A 86 -20.049 10.229 -7.566 1.00 2.26 H ATOM 1287 HH11 ARG A 86 -22.210 8.047 -9.129 1.00 2.15 H ATOM 1288 HH12 ARG A 86 -23.438 9.240 -9.394 1.00 3.14 H ATOM 1289 HH21 ARG A 86 -21.638 11.805 -7.907 1.00 3.60 H ATOM 1290 HH22 ARG A 86 -23.114 11.368 -8.702 1.00 3.74 H ATOM 1291 N ASP A 87 -14.882 4.955 -8.311 1.00 0.36 N ATOM 1292 CA ASP A 87 -14.301 3.709 -8.883 1.00 0.40 C ATOM 1293 C ASP A 87 -14.922 2.502 -8.178 1.00 0.34 C ATOM 1294 O ASP A 87 -15.625 2.639 -7.197 1.00 0.31 O ATOM 1295 CB ASP A 87 -12.786 3.694 -8.668 1.00 0.43 C ATOM 1296 CG ASP A 87 -12.112 4.643 -9.661 1.00 0.56 C ATOM 1297 OD1 ASP A 87 -12.000 5.816 -9.347 1.00 1.34 O ATOM 1298 OD2 ASP A 87 -11.721 4.180 -10.720 1.00 1.13 O ATOM 1299 H ASP A 87 -14.403 5.440 -7.606 1.00 0.34 H ATOM 1300 HA ASP A 87 -14.517 3.661 -9.941 1.00 0.50 H ATOM 1301 HB2 ASP A 87 -12.563 4.010 -7.659 1.00 0.38 H ATOM 1302 HB3 ASP A 87 -12.414 2.693 -8.822 1.00 0.47 H ATOM 1303 N THR A 88 -14.666 1.321 -8.666 1.00 0.40 N ATOM 1304 CA THR A 88 -15.237 0.105 -8.019 1.00 0.41 C ATOM 1305 C THR A 88 -14.235 -0.434 -7.001 1.00 0.33 C ATOM 1306 O THR A 88 -13.046 -0.206 -7.101 1.00 0.32 O ATOM 1307 CB THR A 88 -15.492 -0.976 -9.083 1.00 0.54 C ATOM 1308 OG1 THR A 88 -14.542 -0.827 -10.128 1.00 1.16 O ATOM 1309 CG2 THR A 88 -16.911 -0.879 -9.672 1.00 1.28 C ATOM 1310 H THR A 88 -14.093 1.231 -9.456 1.00 0.47 H ATOM 1311 HA THR A 88 -16.154 0.355 -7.508 1.00 0.42 H ATOM 1312 HB THR A 88 -15.365 -1.949 -8.631 1.00 1.27 H ATOM 1313 HG1 THR A 88 -14.823 -1.375 -10.864 1.00 1.59 H ATOM 1314 HG21 THR A 88 -17.519 -1.676 -9.269 1.00 1.85 H ATOM 1315 HG22 THR A 88 -16.856 -0.983 -10.745 1.00 1.78 H ATOM 1316 HG23 THR A 88 -17.359 0.072 -9.433 1.00 1.93 H ATOM 1317 N LYS A 89 -14.710 -1.141 -6.016 1.00 0.30 N ATOM 1318 CA LYS A 89 -13.788 -1.688 -4.985 1.00 0.24 C ATOM 1319 C LYS A 89 -13.180 -3.003 -5.485 1.00 0.24 C ATOM 1320 O LYS A 89 -13.777 -3.709 -6.274 1.00 0.28 O ATOM 1321 CB LYS A 89 -14.560 -1.961 -3.697 1.00 0.28 C ATOM 1322 CG LYS A 89 -15.190 -0.677 -3.170 1.00 0.33 C ATOM 1323 CD LYS A 89 -15.953 -0.995 -1.880 1.00 0.41 C ATOM 1324 CE LYS A 89 -16.589 0.282 -1.342 1.00 0.75 C ATOM 1325 NZ LYS A 89 -17.723 -0.054 -0.438 1.00 1.49 N ATOM 1326 H LYS A 89 -15.674 -1.298 -5.948 1.00 0.34 H ATOM 1327 HA LYS A 89 -13.001 -0.985 -4.794 1.00 0.22 H ATOM 1328 HB2 LYS A 89 -15.330 -2.694 -3.880 1.00 0.34 H ATOM 1329 HB3 LYS A 89 -13.877 -2.332 -2.958 1.00 0.27 H ATOM 1330 HG2 LYS A 89 -14.417 0.050 -2.967 1.00 0.32 H ATOM 1331 HG3 LYS A 89 -15.876 -0.283 -3.905 1.00 0.37 H ATOM 1332 HD2 LYS A 89 -16.724 -1.723 -2.088 1.00 0.72 H ATOM 1333 HD3 LYS A 89 -15.269 -1.393 -1.146 1.00 0.57 H ATOM 1334 HE2 LYS A 89 -15.850 0.840 -0.791 1.00 1.31 H ATOM 1335 HE3 LYS A 89 -16.951 0.871 -2.168 1.00 1.23 H ATOM 1336 HZ1 LYS A 89 -18.331 0.782 -0.323 1.00 1.86 H ATOM 1337 HZ2 LYS A 89 -17.351 -0.343 0.490 1.00 2.05 H ATOM 1338 HZ3 LYS A 89 -18.277 -0.830 -0.848 1.00 2.04 H ATOM 1339 N ILE A 90 -11.994 -3.327 -5.025 1.00 0.20 N ATOM 1340 CA ILE A 90 -11.318 -4.591 -5.454 1.00 0.21 C ATOM 1341 C ILE A 90 -10.833 -5.357 -4.216 1.00 0.19 C ATOM 1342 O ILE A 90 -10.688 -4.797 -3.148 1.00 0.18 O ATOM 1343 CB ILE A 90 -10.132 -4.243 -6.369 1.00 0.22 C ATOM 1344 CG1 ILE A 90 -9.159 -3.306 -5.631 1.00 0.20 C ATOM 1345 CG2 ILE A 90 -10.663 -3.550 -7.629 1.00 0.27 C ATOM 1346 CD1 ILE A 90 -7.916 -3.041 -6.489 1.00 0.23 C ATOM 1347 H ILE A 90 -11.544 -2.731 -4.390 1.00 0.18 H ATOM 1348 HA ILE A 90 -12.016 -5.212 -5.997 1.00 0.23 H ATOM 1349 HB ILE A 90 -9.618 -5.152 -6.650 1.00 0.23 H ATOM 1350 HG12 ILE A 90 -9.652 -2.370 -5.421 1.00 0.23 H ATOM 1351 HG13 ILE A 90 -8.850 -3.762 -4.703 1.00 0.22 H ATOM 1352 HG21 ILE A 90 -10.280 -2.541 -7.675 1.00 1.04 H ATOM 1353 HG22 ILE A 90 -11.742 -3.524 -7.601 1.00 0.99 H ATOM 1354 HG23 ILE A 90 -10.339 -4.096 -8.503 1.00 1.07 H ATOM 1355 HD11 ILE A 90 -7.070 -3.558 -6.060 1.00 1.05 H ATOM 1356 HD12 ILE A 90 -7.714 -1.981 -6.509 1.00 1.06 H ATOM 1357 HD13 ILE A 90 -8.079 -3.395 -7.495 1.00 1.03 H ATOM 1358 N GLU A 91 -10.588 -6.632 -4.350 1.00 0.21 N ATOM 1359 CA GLU A 91 -10.120 -7.431 -3.179 1.00 0.21 C ATOM 1360 C GLU A 91 -8.745 -6.927 -2.733 1.00 0.19 C ATOM 1361 O GLU A 91 -7.924 -6.549 -3.545 1.00 0.18 O ATOM 1362 CB GLU A 91 -10.026 -8.907 -3.576 1.00 0.24 C ATOM 1363 CG GLU A 91 -11.429 -9.439 -3.876 1.00 0.28 C ATOM 1364 CD GLU A 91 -11.369 -10.951 -4.102 1.00 1.14 C ATOM 1365 OE1 GLU A 91 -10.529 -11.383 -4.874 1.00 1.88 O ATOM 1366 OE2 GLU A 91 -12.164 -11.651 -3.497 1.00 1.86 O ATOM 1367 H GLU A 91 -10.714 -7.067 -5.219 1.00 0.23 H ATOM 1368 HA GLU A 91 -10.822 -7.322 -2.366 1.00 0.21 H ATOM 1369 HB2 GLU A 91 -9.407 -9.004 -4.457 1.00 0.26 H ATOM 1370 HB3 GLU A 91 -9.593 -9.473 -2.766 1.00 0.25 H ATOM 1371 HG2 GLU A 91 -12.081 -9.224 -3.042 1.00 0.83 H ATOM 1372 HG3 GLU A 91 -11.812 -8.960 -4.765 1.00 0.80 H ATOM 1373 N VAL A 92 -8.485 -6.906 -1.450 1.00 0.19 N ATOM 1374 CA VAL A 92 -7.160 -6.406 -0.982 1.00 0.19 C ATOM 1375 C VAL A 92 -6.049 -7.219 -1.651 1.00 0.20 C ATOM 1376 O VAL A 92 -5.043 -6.682 -2.073 1.00 0.19 O ATOM 1377 CB VAL A 92 -7.037 -6.557 0.540 1.00 0.22 C ATOM 1378 CG1 VAL A 92 -5.583 -6.248 0.948 1.00 0.24 C ATOM 1379 CG2 VAL A 92 -8.030 -5.600 1.231 1.00 0.24 C ATOM 1380 H VAL A 92 -9.161 -7.204 -0.802 1.00 0.20 H ATOM 1381 HA VAL A 92 -7.056 -5.368 -1.251 1.00 0.18 H ATOM 1382 HB VAL A 92 -7.271 -7.578 0.813 1.00 0.24 H ATOM 1383 HG11 VAL A 92 -5.127 -5.620 0.196 1.00 1.06 H ATOM 1384 HG12 VAL A 92 -5.030 -7.172 1.020 1.00 1.00 H ATOM 1385 HG13 VAL A 92 -5.552 -5.744 1.900 1.00 1.07 H ATOM 1386 HG21 VAL A 92 -7.794 -5.502 2.280 1.00 1.05 H ATOM 1387 HG22 VAL A 92 -9.025 -5.999 1.137 1.00 0.98 H ATOM 1388 HG23 VAL A 92 -7.990 -4.630 0.760 1.00 1.08 H ATOM 1389 N ALA A 93 -6.220 -8.507 -1.753 1.00 0.22 N ATOM 1390 CA ALA A 93 -5.170 -9.346 -2.395 1.00 0.25 C ATOM 1391 C ALA A 93 -4.757 -8.720 -3.732 1.00 0.22 C ATOM 1392 O ALA A 93 -3.592 -8.673 -4.067 1.00 0.24 O ATOM 1393 CB ALA A 93 -5.721 -10.754 -2.632 1.00 0.31 C ATOM 1394 H ALA A 93 -7.037 -8.922 -1.407 1.00 0.23 H ATOM 1395 HA ALA A 93 -4.309 -9.403 -1.744 1.00 0.28 H ATOM 1396 HB1 ALA A 93 -6.083 -10.832 -3.646 1.00 1.05 H ATOM 1397 HB2 ALA A 93 -6.531 -10.943 -1.944 1.00 1.02 H ATOM 1398 HB3 ALA A 93 -4.936 -11.479 -2.473 1.00 1.10 H ATOM 1399 N GLN A 94 -5.697 -8.229 -4.495 1.00 0.21 N ATOM 1400 CA GLN A 94 -5.341 -7.599 -5.802 1.00 0.22 C ATOM 1401 C GLN A 94 -4.722 -6.227 -5.562 1.00 0.19 C ATOM 1402 O GLN A 94 -3.815 -5.811 -6.255 1.00 0.19 O ATOM 1403 CB GLN A 94 -6.592 -7.433 -6.666 1.00 0.28 C ATOM 1404 CG GLN A 94 -6.872 -8.734 -7.413 1.00 1.00 C ATOM 1405 CD GLN A 94 -8.121 -8.569 -8.279 1.00 1.32 C ATOM 1406 OE1 GLN A 94 -9.017 -7.823 -7.939 1.00 1.59 O ATOM 1407 NE2 GLN A 94 -8.214 -9.236 -9.396 1.00 2.05 N ATOM 1408 H GLN A 94 -6.633 -8.267 -4.206 1.00 0.22 H ATOM 1409 HA GLN A 94 -4.629 -8.225 -6.318 1.00 0.26 H ATOM 1410 HB2 GLN A 94 -7.435 -7.193 -6.033 1.00 0.91 H ATOM 1411 HB3 GLN A 94 -6.437 -6.636 -7.377 1.00 0.78 H ATOM 1412 HG2 GLN A 94 -6.028 -8.972 -8.043 1.00 1.62 H ATOM 1413 HG3 GLN A 94 -7.031 -9.529 -6.703 1.00 1.55 H ATOM 1414 HE21 GLN A 94 -7.488 -9.835 -9.671 1.00 2.51 H ATOM 1415 HE22 GLN A 94 -9.009 -9.139 -9.961 1.00 2.39 H ATOM 1416 N PHE A 95 -5.210 -5.522 -4.590 1.00 0.17 N ATOM 1417 CA PHE A 95 -4.662 -4.175 -4.302 1.00 0.17 C ATOM 1418 C PHE A 95 -3.177 -4.285 -3.965 1.00 0.16 C ATOM 1419 O PHE A 95 -2.357 -3.547 -4.473 1.00 0.17 O ATOM 1420 CB PHE A 95 -5.401 -3.596 -3.105 1.00 0.18 C ATOM 1421 CG PHE A 95 -4.834 -2.247 -2.780 1.00 0.19 C ATOM 1422 CD1 PHE A 95 -3.687 -2.155 -1.986 1.00 0.22 C ATOM 1423 CD2 PHE A 95 -5.443 -1.091 -3.273 1.00 0.21 C ATOM 1424 CE1 PHE A 95 -3.149 -0.906 -1.683 1.00 0.25 C ATOM 1425 CE2 PHE A 95 -4.904 0.159 -2.970 1.00 0.23 C ATOM 1426 CZ PHE A 95 -3.759 0.249 -2.176 1.00 0.25 C ATOM 1427 H PHE A 95 -5.945 -5.877 -4.048 1.00 0.19 H ATOM 1428 HA PHE A 95 -4.797 -3.532 -5.159 1.00 0.19 H ATOM 1429 HB2 PHE A 95 -6.450 -3.504 -3.340 1.00 0.19 H ATOM 1430 HB3 PHE A 95 -5.275 -4.250 -2.257 1.00 0.18 H ATOM 1431 HD1 PHE A 95 -3.219 -3.052 -1.606 1.00 0.23 H ATOM 1432 HD2 PHE A 95 -6.329 -1.164 -3.886 1.00 0.22 H ATOM 1433 HE1 PHE A 95 -2.264 -0.831 -1.069 1.00 0.29 H ATOM 1434 HE2 PHE A 95 -5.372 1.054 -3.345 1.00 0.26 H ATOM 1435 HZ PHE A 95 -3.345 1.206 -1.948 1.00 0.29 H ATOM 1436 N VAL A 96 -2.825 -5.199 -3.107 1.00 0.17 N ATOM 1437 CA VAL A 96 -1.394 -5.355 -2.733 1.00 0.18 C ATOM 1438 C VAL A 96 -0.585 -5.745 -3.970 1.00 0.17 C ATOM 1439 O VAL A 96 0.445 -5.169 -4.260 1.00 0.18 O ATOM 1440 CB VAL A 96 -1.258 -6.457 -1.683 1.00 0.21 C ATOM 1441 CG1 VAL A 96 0.215 -6.625 -1.309 1.00 0.25 C ATOM 1442 CG2 VAL A 96 -2.063 -6.084 -0.438 1.00 0.24 C ATOM 1443 H VAL A 96 -3.502 -5.783 -2.706 1.00 0.17 H ATOM 1444 HA VAL A 96 -1.020 -4.424 -2.333 1.00 0.19 H ATOM 1445 HB VAL A 96 -1.632 -7.386 -2.090 1.00 0.20 H ATOM 1446 HG11 VAL A 96 0.724 -7.173 -2.088 1.00 1.06 H ATOM 1447 HG12 VAL A 96 0.290 -7.167 -0.379 1.00 0.99 H ATOM 1448 HG13 VAL A 96 0.670 -5.652 -1.197 1.00 1.09 H ATOM 1449 HG21 VAL A 96 -2.549 -6.966 -0.048 1.00 1.03 H ATOM 1450 HG22 VAL A 96 -2.809 -5.348 -0.699 1.00 1.01 H ATOM 1451 HG23 VAL A 96 -1.401 -5.677 0.311 1.00 1.07 H ATOM 1452 N LYS A 97 -1.040 -6.729 -4.694 1.00 0.17 N ATOM 1453 CA LYS A 97 -0.295 -7.170 -5.903 1.00 0.19 C ATOM 1454 C LYS A 97 -0.184 -6.015 -6.896 1.00 0.18 C ATOM 1455 O LYS A 97 0.878 -5.721 -7.383 1.00 0.19 O ATOM 1456 CB LYS A 97 -1.038 -8.334 -6.559 1.00 0.21 C ATOM 1457 CG LYS A 97 -0.975 -9.552 -5.638 1.00 0.25 C ATOM 1458 CD LYS A 97 -1.743 -10.714 -6.274 1.00 0.31 C ATOM 1459 CE LYS A 97 -1.866 -11.871 -5.274 1.00 0.68 C ATOM 1460 NZ LYS A 97 -1.221 -13.089 -5.837 1.00 1.52 N ATOM 1461 H LYS A 97 -1.869 -7.185 -4.436 1.00 0.18 H ATOM 1462 HA LYS A 97 0.694 -7.493 -5.617 1.00 0.20 H ATOM 1463 HB2 LYS A 97 -2.068 -8.057 -6.726 1.00 0.21 H ATOM 1464 HB3 LYS A 97 -0.569 -8.574 -7.502 1.00 0.23 H ATOM 1465 HG2 LYS A 97 0.057 -9.839 -5.493 1.00 0.26 H ATOM 1466 HG3 LYS A 97 -1.416 -9.303 -4.686 1.00 0.24 H ATOM 1467 HD2 LYS A 97 -2.730 -10.378 -6.557 1.00 0.71 H ATOM 1468 HD3 LYS A 97 -1.215 -11.056 -7.151 1.00 0.69 H ATOM 1469 HE2 LYS A 97 -1.379 -11.607 -4.348 1.00 1.39 H ATOM 1470 HE3 LYS A 97 -2.910 -12.072 -5.087 1.00 1.31 H ATOM 1471 HZ1 LYS A 97 -0.375 -12.817 -6.376 1.00 1.99 H ATOM 1472 HZ2 LYS A 97 -1.892 -13.577 -6.465 1.00 2.14 H ATOM 1473 HZ3 LYS A 97 -0.946 -13.725 -5.062 1.00 2.02 H ATOM 1474 N ASP A 98 -1.264 -5.349 -7.198 1.00 0.18 N ATOM 1475 CA ASP A 98 -1.177 -4.225 -8.176 1.00 0.20 C ATOM 1476 C ASP A 98 -0.177 -3.196 -7.664 1.00 0.19 C ATOM 1477 O ASP A 98 0.616 -2.658 -8.412 1.00 0.21 O ATOM 1478 CB ASP A 98 -2.549 -3.563 -8.316 1.00 0.21 C ATOM 1479 CG ASP A 98 -3.508 -4.507 -9.041 1.00 0.24 C ATOM 1480 OD1 ASP A 98 -3.029 -5.359 -9.772 1.00 1.02 O ATOM 1481 OD2 ASP A 98 -4.705 -4.359 -8.858 1.00 1.07 O ATOM 1482 H ASP A 98 -2.124 -5.589 -6.795 1.00 0.18 H ATOM 1483 HA ASP A 98 -0.855 -4.601 -9.136 1.00 0.21 H ATOM 1484 HB2 ASP A 98 -2.939 -3.339 -7.333 1.00 0.21 H ATOM 1485 HB3 ASP A 98 -2.451 -2.648 -8.880 1.00 0.23 H ATOM 1486 N LEU A 99 -0.196 -2.930 -6.394 1.00 0.19 N ATOM 1487 CA LEU A 99 0.764 -1.950 -5.828 1.00 0.20 C ATOM 1488 C LEU A 99 2.194 -2.510 -5.966 1.00 0.19 C ATOM 1489 O LEU A 99 3.118 -1.790 -6.277 1.00 0.20 O ATOM 1490 CB LEU A 99 0.388 -1.682 -4.353 1.00 0.23 C ATOM 1491 CG LEU A 99 1.364 -0.699 -3.668 1.00 0.25 C ATOM 1492 CD1 LEU A 99 1.221 0.733 -4.220 1.00 0.29 C ATOM 1493 CD2 LEU A 99 1.083 -0.682 -2.156 1.00 0.30 C ATOM 1494 H LEU A 99 -0.836 -3.384 -5.808 1.00 0.19 H ATOM 1495 HA LEU A 99 0.685 -1.041 -6.396 1.00 0.21 H ATOM 1496 HB2 LEU A 99 -0.608 -1.267 -4.316 1.00 0.24 H ATOM 1497 HB3 LEU A 99 0.398 -2.621 -3.820 1.00 0.22 H ATOM 1498 HG LEU A 99 2.362 -1.040 -3.827 1.00 0.25 H ATOM 1499 HD11 LEU A 99 1.867 1.398 -3.663 1.00 1.07 H ATOM 1500 HD12 LEU A 99 0.199 1.060 -4.119 1.00 1.07 H ATOM 1501 HD13 LEU A 99 1.508 0.762 -5.257 1.00 1.04 H ATOM 1502 HD21 LEU A 99 0.938 0.335 -1.822 1.00 1.07 H ATOM 1503 HD22 LEU A 99 1.922 -1.113 -1.632 1.00 0.98 H ATOM 1504 HD23 LEU A 99 0.194 -1.256 -1.944 1.00 1.05 H ATOM 1505 N LEU A 100 2.379 -3.790 -5.742 1.00 0.19 N ATOM 1506 CA LEU A 100 3.751 -4.393 -5.853 1.00 0.20 C ATOM 1507 C LEU A 100 4.384 -4.056 -7.209 1.00 0.20 C ATOM 1508 O LEU A 100 5.546 -3.699 -7.278 1.00 0.21 O ATOM 1509 CB LEU A 100 3.647 -5.922 -5.698 1.00 0.22 C ATOM 1510 CG LEU A 100 5.010 -6.597 -5.932 1.00 0.25 C ATOM 1511 CD1 LEU A 100 6.049 -6.024 -4.962 1.00 0.30 C ATOM 1512 CD2 LEU A 100 4.860 -8.103 -5.694 1.00 0.27 C ATOM 1513 H LEU A 100 1.618 -4.355 -5.496 1.00 0.20 H ATOM 1514 HA LEU A 100 4.375 -4.001 -5.065 1.00 0.21 H ATOM 1515 HB2 LEU A 100 3.305 -6.154 -4.700 1.00 0.24 H ATOM 1516 HB3 LEU A 100 2.937 -6.304 -6.413 1.00 0.23 H ATOM 1517 HG LEU A 100 5.337 -6.433 -6.948 1.00 0.28 H ATOM 1518 HD11 LEU A 100 6.819 -6.758 -4.779 1.00 0.99 H ATOM 1519 HD12 LEU A 100 5.568 -5.767 -4.030 1.00 1.06 H ATOM 1520 HD13 LEU A 100 6.492 -5.139 -5.394 1.00 1.09 H ATOM 1521 HD21 LEU A 100 5.815 -8.590 -5.826 1.00 0.96 H ATOM 1522 HD22 LEU A 100 4.152 -8.508 -6.402 1.00 0.93 H ATOM 1523 HD23 LEU A 100 4.502 -8.274 -4.691 1.00 0.96 H ATOM 1524 N LEU A 101 3.656 -4.168 -8.288 1.00 0.21 N ATOM 1525 CA LEU A 101 4.275 -3.851 -9.611 1.00 0.23 C ATOM 1526 C LEU A 101 4.792 -2.412 -9.618 1.00 0.22 C ATOM 1527 O LEU A 101 5.886 -2.147 -10.071 1.00 0.23 O ATOM 1528 CB LEU A 101 3.249 -4.015 -10.741 1.00 0.26 C ATOM 1529 CG LEU A 101 3.121 -5.488 -11.165 1.00 0.30 C ATOM 1530 CD1 LEU A 101 4.423 -5.972 -11.852 1.00 0.43 C ATOM 1531 CD2 LEU A 101 2.768 -6.348 -9.942 1.00 0.47 C ATOM 1532 H LEU A 101 2.721 -4.463 -8.230 1.00 0.22 H ATOM 1533 HA LEU A 101 5.100 -4.523 -9.783 1.00 0.25 H ATOM 1534 HB2 LEU A 101 2.287 -3.670 -10.387 1.00 0.30 H ATOM 1535 HB3 LEU A 101 3.545 -3.416 -11.588 1.00 0.29 H ATOM 1536 HG LEU A 101 2.315 -5.562 -11.883 1.00 0.35 H ATOM 1537 HD11 LEU A 101 5.035 -6.536 -11.168 1.00 1.19 H ATOM 1538 HD12 LEU A 101 4.986 -5.122 -12.204 1.00 1.09 H ATOM 1539 HD13 LEU A 101 4.164 -6.595 -12.695 1.00 1.08 H ATOM 1540 HD21 LEU A 101 3.651 -6.606 -9.377 1.00 1.17 H ATOM 1541 HD22 LEU A 101 2.269 -7.249 -10.266 1.00 1.14 H ATOM 1542 HD23 LEU A 101 2.106 -5.785 -9.319 1.00 1.09 H ATOM 1543 N HIS A 102 4.026 -1.481 -9.130 1.00 0.22 N ATOM 1544 CA HIS A 102 4.497 -0.068 -9.129 1.00 0.22 C ATOM 1545 C HIS A 102 5.644 0.127 -8.132 1.00 0.21 C ATOM 1546 O HIS A 102 6.537 0.907 -8.362 1.00 0.22 O ATOM 1547 CB HIS A 102 3.341 0.868 -8.777 1.00 0.23 C ATOM 1548 CG HIS A 102 2.487 1.068 -9.996 1.00 0.25 C ATOM 1549 ND1 HIS A 102 2.719 2.088 -10.906 1.00 0.26 N ATOM 1550 CD2 HIS A 102 1.406 0.379 -10.473 1.00 0.28 C ATOM 1551 CE1 HIS A 102 1.795 1.982 -11.877 1.00 0.29 C ATOM 1552 NE2 HIS A 102 0.968 0.955 -11.663 1.00 0.30 N ATOM 1553 H HIS A 102 3.142 -1.706 -8.770 1.00 0.22 H ATOM 1554 HA HIS A 102 4.853 0.178 -10.120 1.00 0.23 H ATOM 1555 HB2 HIS A 102 2.748 0.430 -7.988 1.00 0.24 H ATOM 1556 HB3 HIS A 102 3.731 1.819 -8.452 1.00 0.23 H ATOM 1557 HD1 HIS A 102 3.427 2.763 -10.851 1.00 0.26 H ATOM 1558 HD2 HIS A 102 0.962 -0.479 -9.993 1.00 0.30 H ATOM 1559 HE1 HIS A 102 1.734 2.645 -12.728 1.00 0.32 H ATOM 1560 N LEU A 103 5.631 -0.542 -7.015 1.00 0.21 N ATOM 1561 CA LEU A 103 6.738 -0.322 -6.032 1.00 0.22 C ATOM 1562 C LEU A 103 8.097 -0.634 -6.668 1.00 0.23 C ATOM 1563 O LEU A 103 8.979 0.201 -6.690 1.00 0.25 O ATOM 1564 CB LEU A 103 6.549 -1.233 -4.815 1.00 0.22 C ATOM 1565 CG LEU A 103 5.326 -0.799 -4.008 1.00 0.23 C ATOM 1566 CD1 LEU A 103 5.111 -1.782 -2.856 1.00 0.24 C ATOM 1567 CD2 LEU A 103 5.507 0.610 -3.431 1.00 0.24 C ATOM 1568 H LEU A 103 4.898 -1.162 -6.815 1.00 0.21 H ATOM 1569 HA LEU A 103 6.731 0.708 -5.715 1.00 0.23 H ATOM 1570 HB2 LEU A 103 6.405 -2.248 -5.155 1.00 0.23 H ATOM 1571 HB3 LEU A 103 7.422 -1.192 -4.192 1.00 0.22 H ATOM 1572 HG LEU A 103 4.476 -0.809 -4.657 1.00 0.25 H ATOM 1573 HD11 LEU A 103 5.867 -1.620 -2.101 1.00 1.01 H ATOM 1574 HD12 LEU A 103 5.185 -2.793 -3.225 1.00 1.04 H ATOM 1575 HD13 LEU A 103 4.135 -1.627 -2.423 1.00 1.07 H ATOM 1576 HD21 LEU A 103 4.964 0.688 -2.500 1.00 1.01 H ATOM 1577 HD22 LEU A 103 5.123 1.338 -4.130 1.00 1.04 H ATOM 1578 HD23 LEU A 103 6.548 0.799 -3.253 1.00 1.09 H ATOM 1579 N LYS A 104 8.287 -1.819 -7.181 1.00 0.23 N ATOM 1580 CA LYS A 104 9.609 -2.141 -7.796 1.00 0.26 C ATOM 1581 C LYS A 104 9.816 -1.297 -9.057 1.00 0.24 C ATOM 1582 O LYS A 104 10.925 -1.116 -9.520 1.00 0.25 O ATOM 1583 CB LYS A 104 9.693 -3.639 -8.133 1.00 0.32 C ATOM 1584 CG LYS A 104 8.584 -4.045 -9.112 1.00 0.34 C ATOM 1585 CD LYS A 104 8.824 -5.488 -9.567 1.00 0.46 C ATOM 1586 CE LYS A 104 7.516 -6.088 -10.086 1.00 1.06 C ATOM 1587 NZ LYS A 104 7.802 -7.362 -10.804 1.00 1.73 N ATOM 1588 H LYS A 104 7.573 -2.492 -7.156 1.00 0.23 H ATOM 1589 HA LYS A 104 10.388 -1.899 -7.086 1.00 0.29 H ATOM 1590 HB2 LYS A 104 10.654 -3.849 -8.578 1.00 0.37 H ATOM 1591 HB3 LYS A 104 9.590 -4.212 -7.224 1.00 0.36 H ATOM 1592 HG2 LYS A 104 7.625 -3.976 -8.620 1.00 0.38 H ATOM 1593 HG3 LYS A 104 8.596 -3.396 -9.973 1.00 0.37 H ATOM 1594 HD2 LYS A 104 9.561 -5.497 -10.357 1.00 1.30 H ATOM 1595 HD3 LYS A 104 9.183 -6.075 -8.735 1.00 1.13 H ATOM 1596 HE2 LYS A 104 6.857 -6.285 -9.254 1.00 1.61 H ATOM 1597 HE3 LYS A 104 7.045 -5.392 -10.762 1.00 1.68 H ATOM 1598 HZ1 LYS A 104 8.139 -8.076 -10.127 1.00 2.10 H ATOM 1599 HZ2 LYS A 104 8.532 -7.196 -11.527 1.00 2.23 H ATOM 1600 HZ3 LYS A 104 6.933 -7.705 -11.261 1.00 2.20 H ATOM 1601 N LYS A 105 8.755 -0.794 -9.624 1.00 0.24 N ATOM 1602 CA LYS A 105 8.881 0.025 -10.865 1.00 0.25 C ATOM 1603 C LYS A 105 9.713 1.289 -10.600 1.00 0.24 C ATOM 1604 O LYS A 105 10.631 1.598 -11.333 1.00 0.25 O ATOM 1605 CB LYS A 105 7.482 0.422 -11.338 1.00 0.28 C ATOM 1606 CG LYS A 105 7.560 1.068 -12.720 1.00 0.40 C ATOM 1607 CD LYS A 105 6.149 1.451 -13.171 1.00 0.43 C ATOM 1608 CE LYS A 105 6.220 2.235 -14.482 1.00 1.13 C ATOM 1609 NZ LYS A 105 6.526 1.305 -15.605 1.00 1.85 N ATOM 1610 H LYS A 105 7.870 -0.962 -9.238 1.00 0.26 H ATOM 1611 HA LYS A 105 9.361 -0.563 -11.632 1.00 0.27 H ATOM 1612 HB2 LYS A 105 6.857 -0.456 -11.388 1.00 0.39 H ATOM 1613 HB3 LYS A 105 7.055 1.126 -10.642 1.00 0.41 H ATOM 1614 HG2 LYS A 105 8.180 1.952 -12.669 1.00 0.54 H ATOM 1615 HG3 LYS A 105 7.985 0.367 -13.422 1.00 0.53 H ATOM 1616 HD2 LYS A 105 5.566 0.553 -13.321 1.00 0.76 H ATOM 1617 HD3 LYS A 105 5.682 2.060 -12.413 1.00 0.83 H ATOM 1618 HE2 LYS A 105 5.271 2.717 -14.663 1.00 1.77 H ATOM 1619 HE3 LYS A 105 6.995 2.984 -14.413 1.00 1.64 H ATOM 1620 HZ1 LYS A 105 7.505 0.967 -15.518 1.00 2.28 H ATOM 1621 HZ2 LYS A 105 6.410 1.806 -16.510 1.00 2.37 H ATOM 1622 HZ3 LYS A 105 5.877 0.494 -15.571 1.00 2.31 H ATOM 1623 N LEU A 106 9.397 2.027 -9.568 1.00 0.24 N ATOM 1624 CA LEU A 106 10.169 3.274 -9.273 1.00 0.25 C ATOM 1625 C LEU A 106 11.621 2.922 -8.932 1.00 0.24 C ATOM 1626 O LEU A 106 12.514 3.730 -9.094 1.00 0.27 O ATOM 1627 CB LEU A 106 9.544 4.021 -8.083 1.00 0.27 C ATOM 1628 CG LEU A 106 8.292 4.822 -8.505 1.00 0.29 C ATOM 1629 CD1 LEU A 106 8.691 6.123 -9.210 1.00 0.34 C ATOM 1630 CD2 LEU A 106 7.404 3.994 -9.441 1.00 0.32 C ATOM 1631 H LEU A 106 8.649 1.767 -8.991 1.00 0.24 H ATOM 1632 HA LEU A 106 10.164 3.910 -10.143 1.00 0.27 H ATOM 1633 HB2 LEU A 106 9.267 3.304 -7.324 1.00 0.27 H ATOM 1634 HB3 LEU A 106 10.276 4.700 -7.671 1.00 0.29 H ATOM 1635 HG LEU A 106 7.727 5.070 -7.617 1.00 0.36 H ATOM 1636 HD11 LEU A 106 8.505 6.957 -8.550 1.00 1.11 H ATOM 1637 HD12 LEU A 106 8.102 6.240 -10.107 1.00 1.05 H ATOM 1638 HD13 LEU A 106 9.738 6.097 -9.468 1.00 1.04 H ATOM 1639 HD21 LEU A 106 7.858 3.926 -10.417 1.00 1.08 H ATOM 1640 HD22 LEU A 106 6.439 4.470 -9.531 1.00 1.06 H ATOM 1641 HD23 LEU A 106 7.276 3.010 -9.033 1.00 0.99 H ATOM 1642 N PHE A 107 11.869 1.732 -8.455 1.00 0.23 N ATOM 1643 CA PHE A 107 13.269 1.360 -8.101 1.00 0.24 C ATOM 1644 C PHE A 107 14.143 1.466 -9.348 1.00 0.27 C ATOM 1645 O PHE A 107 15.270 1.916 -9.294 1.00 0.30 O ATOM 1646 CB PHE A 107 13.313 -0.081 -7.581 1.00 0.23 C ATOM 1647 CG PHE A 107 14.737 -0.438 -7.228 1.00 0.25 C ATOM 1648 CD1 PHE A 107 15.308 0.083 -6.065 1.00 0.24 C ATOM 1649 CD2 PHE A 107 15.487 -1.278 -8.061 1.00 0.33 C ATOM 1650 CE1 PHE A 107 16.625 -0.229 -5.728 1.00 0.27 C ATOM 1651 CE2 PHE A 107 16.810 -1.596 -7.723 1.00 0.36 C ATOM 1652 CZ PHE A 107 17.379 -1.070 -6.555 1.00 0.32 C ATOM 1653 H PHE A 107 11.140 1.092 -8.322 1.00 0.22 H ATOM 1654 HA PHE A 107 13.641 2.031 -7.340 1.00 0.24 H ATOM 1655 HB2 PHE A 107 12.693 -0.166 -6.702 1.00 0.22 H ATOM 1656 HB3 PHE A 107 12.953 -0.753 -8.345 1.00 0.25 H ATOM 1657 HD1 PHE A 107 14.730 0.724 -5.424 1.00 0.23 H ATOM 1658 HD2 PHE A 107 15.047 -1.682 -8.961 1.00 0.37 H ATOM 1659 HE1 PHE A 107 17.058 0.183 -4.831 1.00 0.27 H ATOM 1660 HE2 PHE A 107 17.390 -2.245 -8.362 1.00 0.43 H ATOM 1661 HZ PHE A 107 18.399 -1.313 -6.294 1.00 0.35 H ATOM 1662 N ARG A 108 13.631 1.054 -10.470 1.00 0.30 N ATOM 1663 CA ARG A 108 14.428 1.128 -11.722 1.00 0.36 C ATOM 1664 C ARG A 108 14.804 2.583 -12.013 1.00 0.38 C ATOM 1665 O ARG A 108 15.894 2.870 -12.467 1.00 0.43 O ATOM 1666 CB ARG A 108 13.610 0.571 -12.887 1.00 0.42 C ATOM 1667 CG ARG A 108 13.242 -0.890 -12.605 1.00 0.49 C ATOM 1668 CD ARG A 108 13.342 -1.709 -13.894 1.00 0.83 C ATOM 1669 NE ARG A 108 12.523 -2.945 -13.763 1.00 1.48 N ATOM 1670 CZ ARG A 108 12.247 -3.653 -14.822 1.00 2.17 C ATOM 1671 NH1 ARG A 108 12.716 -3.291 -15.984 1.00 2.50 N ATOM 1672 NH2 ARG A 108 11.510 -4.725 -14.720 1.00 3.13 N ATOM 1673 H ARG A 108 12.720 0.695 -10.490 1.00 0.29 H ATOM 1674 HA ARG A 108 15.330 0.546 -11.606 1.00 0.38 H ATOM 1675 HB2 ARG A 108 12.707 1.155 -13.004 1.00 0.42 H ATOM 1676 HB3 ARG A 108 14.195 0.628 -13.792 1.00 0.45 H ATOM 1677 HG2 ARG A 108 13.915 -1.298 -11.866 1.00 0.97 H ATOM 1678 HG3 ARG A 108 12.229 -0.938 -12.232 1.00 0.84 H ATOM 1679 HD2 ARG A 108 12.976 -1.128 -14.726 1.00 1.52 H ATOM 1680 HD3 ARG A 108 14.375 -1.975 -14.069 1.00 1.48 H ATOM 1681 HE ARG A 108 12.183 -3.219 -12.885 1.00 2.04 H ATOM 1682 HH11 ARG A 108 13.285 -2.471 -16.060 1.00 2.36 H ATOM 1683 HH12 ARG A 108 12.508 -3.832 -16.799 1.00 3.27 H ATOM 1684 HH21 ARG A 108 11.155 -5.004 -13.828 1.00 3.49 H ATOM 1685 HH22 ARG A 108 11.301 -5.266 -15.534 1.00 3.72 H ATOM 1686 N GLU A 109 13.911 3.505 -11.774 1.00 0.36 N ATOM 1687 CA GLU A 109 14.232 4.932 -12.060 1.00 0.40 C ATOM 1688 C GLU A 109 14.955 5.556 -10.861 1.00 0.39 C ATOM 1689 O GLU A 109 15.375 6.695 -10.906 1.00 0.44 O ATOM 1690 CB GLU A 109 12.941 5.706 -12.340 1.00 0.43 C ATOM 1691 CG GLU A 109 12.220 5.080 -13.537 1.00 0.48 C ATOM 1692 CD GLU A 109 11.088 6.002 -13.995 1.00 1.19 C ATOM 1693 OE1 GLU A 109 10.059 6.018 -13.340 1.00 1.94 O ATOM 1694 OE2 GLU A 109 11.269 6.674 -14.997 1.00 1.91 O ATOM 1695 H GLU A 109 13.032 3.260 -11.418 1.00 0.34 H ATOM 1696 HA GLU A 109 14.874 4.985 -12.928 1.00 0.46 H ATOM 1697 HB2 GLU A 109 12.300 5.667 -11.471 1.00 0.41 H ATOM 1698 HB3 GLU A 109 13.179 6.735 -12.566 1.00 0.47 H ATOM 1699 HG2 GLU A 109 12.921 4.937 -14.346 1.00 0.98 H ATOM 1700 HG3 GLU A 109 11.806 4.125 -13.246 1.00 0.96 H ATOM 1701 N GLY A 110 15.108 4.824 -9.789 1.00 0.35 N ATOM 1702 CA GLY A 110 15.805 5.381 -8.601 1.00 0.36 C ATOM 1703 C GLY A 110 15.094 6.653 -8.143 1.00 0.38 C ATOM 1704 O GLY A 110 15.566 7.354 -7.270 1.00 0.42 O ATOM 1705 H GLY A 110 14.766 3.909 -9.764 1.00 0.34 H ATOM 1706 HA2 GLY A 110 15.792 4.651 -7.804 1.00 0.34 H ATOM 1707 HA3 GLY A 110 16.827 5.614 -8.857 1.00 0.41 H ATOM 1708 N ARG A 111 13.954 6.950 -8.714 1.00 0.37 N ATOM 1709 CA ARG A 111 13.214 8.172 -8.292 1.00 0.41 C ATOM 1710 C ARG A 111 12.217 7.785 -7.210 1.00 0.39 C ATOM 1711 O ARG A 111 11.109 7.365 -7.480 1.00 0.41 O ATOM 1712 CB ARG A 111 12.468 8.783 -9.482 1.00 0.45 C ATOM 1713 CG ARG A 111 13.471 9.298 -10.517 1.00 0.53 C ATOM 1714 CD ARG A 111 12.791 10.338 -11.406 1.00 0.59 C ATOM 1715 NE ARG A 111 13.688 10.669 -12.548 1.00 1.37 N ATOM 1716 CZ ARG A 111 13.235 11.362 -13.555 1.00 1.93 C ATOM 1717 NH1 ARG A 111 12.004 11.795 -13.546 1.00 2.21 N ATOM 1718 NH2 ARG A 111 14.015 11.632 -14.565 1.00 2.86 N ATOM 1719 H ARG A 111 13.585 6.366 -9.408 1.00 0.37 H ATOM 1720 HA ARG A 111 13.907 8.895 -7.889 1.00 0.45 H ATOM 1721 HB2 ARG A 111 11.839 8.029 -9.935 1.00 0.45 H ATOM 1722 HB3 ARG A 111 11.855 9.602 -9.139 1.00 0.46 H ATOM 1723 HG2 ARG A 111 14.315 9.750 -10.017 1.00 0.57 H ATOM 1724 HG3 ARG A 111 13.813 8.476 -11.128 1.00 0.57 H ATOM 1725 HD2 ARG A 111 11.862 9.944 -11.783 1.00 1.11 H ATOM 1726 HD3 ARG A 111 12.591 11.229 -10.825 1.00 1.02 H ATOM 1727 HE ARG A 111 14.617 10.356 -12.548 1.00 2.06 H ATOM 1728 HH11 ARG A 111 11.409 11.594 -12.768 1.00 2.07 H ATOM 1729 HH12 ARG A 111 11.656 12.329 -14.316 1.00 2.98 H ATOM 1730 HH21 ARG A 111 14.960 11.306 -14.567 1.00 3.27 H ATOM 1731 HH22 ARG A 111 13.668 12.165 -15.336 1.00 3.40 H ATOM 1732 N PHE A 112 12.617 7.917 -5.982 1.00 0.40 N ATOM 1733 CA PHE A 112 11.724 7.555 -4.857 1.00 0.42 C ATOM 1734 C PHE A 112 10.895 8.777 -4.466 1.00 0.50 C ATOM 1735 O PHE A 112 11.416 9.861 -4.294 1.00 0.58 O ATOM 1736 CB PHE A 112 12.602 7.102 -3.694 1.00 0.42 C ATOM 1737 CG PHE A 112 13.586 6.090 -4.230 1.00 0.35 C ATOM 1738 CD1 PHE A 112 13.183 4.771 -4.427 1.00 0.29 C ATOM 1739 CD2 PHE A 112 14.894 6.477 -4.556 1.00 0.38 C ATOM 1740 CE1 PHE A 112 14.086 3.834 -4.945 1.00 0.25 C ATOM 1741 CE2 PHE A 112 15.793 5.533 -5.074 1.00 0.35 C ATOM 1742 CZ PHE A 112 15.382 4.212 -5.265 1.00 0.28 C ATOM 1743 H PHE A 112 13.519 8.250 -5.798 1.00 0.43 H ATOM 1744 HA PHE A 112 11.069 6.749 -5.154 1.00 0.39 H ATOM 1745 HB2 PHE A 112 13.131 7.949 -3.283 1.00 0.48 H ATOM 1746 HB3 PHE A 112 11.991 6.644 -2.931 1.00 0.44 H ATOM 1747 HD1 PHE A 112 12.177 4.475 -4.177 1.00 0.32 H ATOM 1748 HD2 PHE A 112 15.208 7.499 -4.407 1.00 0.44 H ATOM 1749 HE1 PHE A 112 13.783 2.822 -5.108 1.00 0.25 H ATOM 1750 HE2 PHE A 112 16.797 5.824 -5.333 1.00 0.40 H ATOM 1751 HZ PHE A 112 16.067 3.478 -5.657 1.00 0.29 H ATOM 1752 N ASN A 113 9.605 8.613 -4.335 1.00 0.56 N ATOM 1753 CA ASN A 113 8.723 9.766 -3.973 1.00 0.66 C ATOM 1754 C ASN A 113 8.790 10.818 -5.085 1.00 1.47 C ATOM 1755 O ASN A 113 9.854 10.982 -5.660 1.00 2.22 O ATOM 1756 CB ASN A 113 9.175 10.406 -2.639 1.00 1.53 C ATOM 1757 CG ASN A 113 8.110 10.258 -1.534 1.00 2.22 C ATOM 1758 OD1 ASN A 113 6.982 9.872 -1.773 1.00 2.71 O ATOM 1759 ND2 ASN A 113 8.433 10.567 -0.309 1.00 3.05 N ATOM 1760 OXT ASN A 113 7.774 11.441 -5.345 1.00 2.04 O ATOM 1761 H ASN A 113 9.210 7.729 -4.488 1.00 0.59 H ATOM 1762 HA ASN A 113 7.711 9.412 -3.893 1.00 0.45 H ATOM 1763 HB2 ASN A 113 10.085 9.935 -2.303 1.00 2.15 H ATOM 1764 HB3 ASN A 113 9.365 11.456 -2.803 1.00 1.93 H ATOM 1765 HD21 ASN A 113 9.337 10.887 -0.106 1.00 3.25 H ATOM 1766 HD22 ASN A 113 7.771 10.481 0.409 1.00 3.76 H TER 1767 ASN A 113 CONECT 446 838 CONECT 677 1054 CONECT 838 446 CONECT 1054 677 MASTER 95 0 0 5 2 0 0 6 1766 1 4 9 END