HEADER HEMOPROTEIN 20-FEB-98 1A56 TITLE PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF TITLE 2 FERRICYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, TITLE 3 MEAN STRUCTURE REFINED WITH EXPLICIT HYDROGEN BOND TITLE 4 CONSTRAINTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERRICYTOCHROME C-552; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: C-551 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; SOURCE 3 ORGANISM_TAXID: 915 KEYWDS HEMOPROTEIN, CYTOCHROME, PROKARYOTIC ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR R.TIMKOVICH,D.BERGMANN,D.M.ARCIERO,A.B.HOOPER REVDAT 3 24-FEB-09 1A56 1 VERSN REVDAT 2 18-NOV-98 1A56 1 HET COMPND REMARK TITLE REVDAT 2 2 1 DBREF JRNL EXPDTA HYDBND REVDAT 1 21-OCT-98 1A56 0 JRNL AUTH R.TIMKOVICH,D.BERGMANN,D.M.ARCIERO,A.B.HOOPER JRNL TITL PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF JRNL TITL 2 FERROCYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA. JRNL REF BIOPHYS.J. V. 75 1964 1998 JRNL REFN ISSN 0006-3495 JRNL PMID 9746537 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SEE JOURNAL CITATION REMARK 4 REMARK 4 1A56 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 323 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : 0.05 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AM500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR REMARK 210 METHOD USED : RESTRAINED DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMUM ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 8 -88.74 -99.01 REMARK 500 ASN A 9 -32.22 -160.90 REMARK 500 GLN A 15 -168.56 -79.71 REMARK 500 VAL A 21 -64.35 -93.15 REMARK 500 ALA A 33 41.16 -88.65 REMARK 500 LYS A 35 -99.44 -114.14 REMARK 500 ASP A 36 -131.24 -90.08 REMARK 500 ASP A 37 34.21 -87.63 REMARK 500 GLN A 56 -157.38 -80.11 REMARK 500 VAL A 63 -72.79 -65.76 REMARK 500 ASN A 64 -59.30 -154.49 REMARK 500 VAL A 65 -82.74 -160.04 REMARK 500 SER A 66 -121.42 -139.34 REMARK 500 ASP A 67 -83.69 -90.30 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 82 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 14 NE2 REMARK 620 2 MET A 59 SD 179.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 82 DBREF 1A56 A 1 81 UNP P95339 C552_NITEU 23 103 SEQRES 1 A 81 ASP ALA ASP LEU ALA LYS LYS ASN ASN CYS ILE ALA CYS SEQRES 2 A 81 HIS GLN VAL GLU THR LYS VAL VAL GLY PRO ALA LEU LYS SEQRES 3 A 81 ASP ILE ALA ALA LYS TYR ALA ASP LYS ASP ASP ALA ALA SEQRES 4 A 81 THR TYR LEU ALA GLY LYS ILE LYS GLY GLY SER SER GLY SEQRES 5 A 81 VAL TRP GLY GLN ILE PRO MET PRO PRO ASN VAL ASN VAL SEQRES 6 A 81 SER ASP ALA ASP ALA LYS ALA LEU ALA ASP TRP ILE LEU SEQRES 7 A 81 THR LEU LYS HET HEC A 82 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 ALA A 2 ASN A 8 1 7 HELIX 2 2 LEU A 25 TYR A 32 1 8 HELIX 3 3 ALA A 38 GLY A 48 1 11 HELIX 4 4 ALA A 68 THR A 79 1 12 LINK SG CYS A 10 CAB HEC A 82 1555 1555 1.82 LINK SG CYS A 13 CAC HEC A 82 1555 1555 1.81 LINK NE2 HIS A 14 FE HEC A 82 1555 1555 1.95 LINK FE HEC A 82 SD MET A 59 1555 1555 2.38 HYDBND N ALA A 5 H ALA 5 ASP A 1 1555 1555 HYDBND N LYS A 6 H LYA 6 ALA A 2 1555 1555 HYDBND N LYS A 7 H LYA 7 ASP A 3 1555 1555 HYDBND N ASN A 8 H ASA 8 LEU A 4 1555 1555 HYDBND N ASN A 9 H ASA 9 ALA A 5 1555 1555 HYDBND N CYS A 13 H CYA 1 ASN A 9 1555 1555 HYDBND N HIS A 14 H HIA 1 CYS A 10 1555 1555 HYDBND N ALA A 29 H ALA 2 LEU A 25 1555 1555 HYDBND N ALA A 30 H ALA 3 LYS A 26 1555 1555 HYDBND N LYS A 31 H LYA 3 ASP A 27 1555 1555 HYDBND N TYR A 32 H TYA 3 ILE A 28 1555 1555 HYDBND N ALA A 33 H ALA 3 ALA A 29 1555 1555 HYDBND N TYR A 41 H TYA 4 ASP A 37 1555 1555 HYDBND N LEU A 42 H LEA 4 ALA A 38 1555 1555 HYDBND N ALA A 43 H ALA 4 ALA A 39 1555 1555 HYDBND N GLY A 44 H GLA 4 THR A 40 1555 1555 HYDBND N LYS A 45 H LYA 4 TYR A 41 1555 1555 HYDBND N ILE A 46 H ILA 4 LEU A 42 1555 1555 HYDBND N LYS A 47 H LYA 4 ALA A 43 1555 1555 HYDBND N GLY A 48 H GLA 4 GLY A 44 1555 1555 HYDBND N GLY A 49 H GLA 4 LYS A 45 1555 1555 HYDBND N LYS A 71 H LYA 7 ASP A 67 1555 1555 HYDBND N ALA A 72 H ALA 7 ALA A 68 1555 1555 HYDBND N LEU A 73 H LEA 7 ASP A 69 1555 1555 HYDBND N ALA A 74 H ALA 7 ALA A 70 1555 1555 HYDBND N ASP A 75 H ASA 7 LYS A 71 1555 1555 HYDBND N TRP A 76 H TRA 7 ALA A 72 1555 1555 HYDBND N ILE A 77 H ILA 7 LEU A 73 1555 1555 HYDBND N LEU A 78 H LEA 7 ALA A 74 1555 1555 HYDBND N THR A 79 H THA 7 ASP A 75 1555 1555 HYDBND N LEU A 80 H LEA 8 TRP A 76 1555 1555 HYDBND N LYS A 81 H LYA 8 ILE A 77 1555 1555 SITE 1 AC1 20 ASN A 9 CYS A 10 CYS A 13 HIS A 14 SITE 2 AC1 20 VAL A 21 GLY A 22 PRO A 23 LYS A 45 SITE 3 AC1 20 ILE A 46 SER A 50 SER A 51 VAL A 53 SITE 4 AC1 20 TRP A 54 GLY A 55 GLN A 56 ILE A 57 SITE 5 AC1 20 MET A 59 ASN A 62 VAL A 63 ASN A 64 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 ASP A 1 13.070 -4.816 0.868 1.00 2.70 N ATOM 2 CA ASP A 1 12.013 -3.876 0.396 1.00 1.92 C ATOM 3 C ASP A 1 11.119 -4.584 -0.620 1.00 1.76 C ATOM 4 O ASP A 1 10.147 -5.224 -0.268 1.00 2.52 O ATOM 5 CB ASP A 1 12.654 -2.650 -0.265 1.00 1.27 C ATOM 6 CG ASP A 1 14.065 -2.992 -0.752 1.00 2.02 C ATOM 7 OD1 ASP A 1 14.186 -3.467 -1.867 1.00 2.39 O ATOM 8 OD2 ASP A 1 15.001 -2.770 -0.001 1.00 2.76 O ATOM 9 H1 ASP A 1 13.447 -5.349 0.057 1.00 3.14 H ATOM 10 H2 ASP A 1 13.837 -4.278 1.316 1.00 3.10 H ATOM 11 H3 ASP A 1 12.664 -5.477 1.560 1.00 3.04 H ATOM 12 HA ASP A 1 11.414 -3.558 1.237 1.00 2.56 H ATOM 13 HB2 ASP A 1 12.051 -2.344 -1.106 1.00 1.36 H ATOM 14 HB3 ASP A 1 12.709 -1.844 0.449 1.00 1.40 H ATOM 15 N ALA A 2 11.438 -4.479 -1.880 1.00 1.17 N ATOM 16 CA ALA A 2 10.605 -5.150 -2.915 1.00 1.05 C ATOM 17 C ALA A 2 10.355 -6.597 -2.492 1.00 1.00 C ATOM 18 O ALA A 2 9.231 -7.015 -2.299 1.00 1.53 O ATOM 19 CB ALA A 2 11.344 -5.131 -4.255 1.00 1.20 C ATOM 20 H ALA A 2 12.226 -3.961 -2.146 1.00 1.31 H ATOM 21 HA ALA A 2 9.662 -4.633 -3.012 1.00 1.03 H ATOM 22 HB1 ALA A 2 12.323 -4.693 -4.120 1.00 1.51 H ATOM 23 HB2 ALA A 2 11.449 -6.140 -4.624 1.00 1.58 H ATOM 24 HB3 ALA A 2 10.783 -4.545 -4.967 1.00 1.64 H ATOM 25 N ASP A 3 11.400 -7.360 -2.342 1.00 0.77 N ATOM 26 CA ASP A 3 11.248 -8.777 -1.930 1.00 0.77 C ATOM 27 C ASP A 3 10.450 -8.845 -0.636 1.00 0.70 C ATOM 28 O ASP A 3 9.817 -9.833 -0.349 1.00 0.79 O ATOM 29 CB ASP A 3 12.628 -9.391 -1.702 1.00 0.94 C ATOM 30 CG ASP A 3 12.814 -10.589 -2.634 1.00 1.14 C ATOM 31 OD1 ASP A 3 11.831 -11.258 -2.908 1.00 1.75 O ATOM 32 OD2 ASP A 3 13.934 -10.816 -3.058 1.00 1.64 O ATOM 33 H ASP A 3 12.286 -6.999 -2.495 1.00 1.00 H ATOM 34 HA ASP A 3 10.731 -9.325 -2.704 1.00 0.82 H ATOM 35 HB2 ASP A 3 13.390 -8.652 -1.905 1.00 1.16 H ATOM 36 HB3 ASP A 3 12.710 -9.719 -0.677 1.00 1.14 H ATOM 37 N LEU A 4 10.479 -7.804 0.148 1.00 0.62 N ATOM 38 CA LEU A 4 9.715 -7.815 1.426 1.00 0.61 C ATOM 39 C LEU A 4 8.219 -7.731 1.113 1.00 0.51 C ATOM 40 O LEU A 4 7.480 -8.675 1.314 1.00 0.60 O ATOM 41 CB LEU A 4 10.134 -6.619 2.284 1.00 0.68 C ATOM 42 CG LEU A 4 10.896 -7.121 3.514 1.00 0.80 C ATOM 43 CD1 LEU A 4 11.502 -5.932 4.265 1.00 0.90 C ATOM 44 CD2 LEU A 4 9.932 -7.865 4.440 1.00 0.90 C ATOM 45 H LEU A 4 11.003 -7.016 -0.104 1.00 0.64 H ATOM 46 HA LEU A 4 9.919 -8.731 1.961 1.00 0.69 H ATOM 47 HB2 LEU A 4 10.773 -5.968 1.703 1.00 0.71 H ATOM 48 HB3 LEU A 4 9.258 -6.076 2.601 1.00 0.72 H ATOM 49 HG LEU A 4 11.685 -7.790 3.201 1.00 0.84 H ATOM 50 HD11 LEU A 4 10.921 -5.044 4.062 1.00 1.22 H ATOM 51 HD12 LEU A 4 11.492 -6.134 5.325 1.00 1.50 H ATOM 52 HD13 LEU A 4 12.520 -5.779 3.937 1.00 1.39 H ATOM 53 HD21 LEU A 4 9.111 -8.263 3.862 1.00 1.49 H ATOM 54 HD22 LEU A 4 10.454 -8.674 4.928 1.00 1.21 H ATOM 55 HD23 LEU A 4 9.550 -7.182 5.184 1.00 1.41 H ATOM 56 N ALA A 5 7.766 -6.616 0.606 1.00 0.40 N ATOM 57 CA ALA A 5 6.319 -6.498 0.269 1.00 0.33 C ATOM 58 C ALA A 5 5.927 -7.701 -0.593 1.00 0.32 C ATOM 59 O ALA A 5 4.918 -8.349 -0.360 1.00 0.43 O ATOM 60 CB ALA A 5 6.078 -5.201 -0.505 1.00 0.33 C ATOM 61 H ALA A 5 8.376 -5.867 0.436 1.00 0.44 H ATOM 62 HA ALA A 5 5.734 -6.496 1.177 1.00 0.37 H ATOM 63 HB1 ALA A 5 6.901 -5.028 -1.182 1.00 1.05 H ATOM 64 HB2 ALA A 5 5.161 -5.284 -1.066 1.00 1.11 H ATOM 65 HB3 ALA A 5 6.003 -4.376 0.189 1.00 1.03 H ATOM 66 N LYS A 6 6.746 -8.017 -1.569 1.00 0.33 N ATOM 67 CA LYS A 6 6.477 -9.190 -2.439 1.00 0.40 C ATOM 68 C LYS A 6 6.492 -10.423 -1.559 1.00 0.46 C ATOM 69 O LYS A 6 5.658 -11.301 -1.661 1.00 0.55 O ATOM 70 CB LYS A 6 7.606 -9.308 -3.461 1.00 0.45 C ATOM 71 CG LYS A 6 7.030 -9.509 -4.864 1.00 0.53 C ATOM 72 CD LYS A 6 7.608 -10.779 -5.492 1.00 1.04 C ATOM 73 CE LYS A 6 7.789 -10.558 -6.997 1.00 1.75 C ATOM 74 NZ LYS A 6 8.908 -11.405 -7.500 1.00 2.42 N ATOM 75 H LYS A 6 7.561 -7.494 -1.711 1.00 0.39 H ATOM 76 HA LYS A 6 5.525 -9.090 -2.936 1.00 0.42 H ATOM 77 HB2 LYS A 6 8.195 -8.408 -3.436 1.00 0.44 H ATOM 78 HB3 LYS A 6 8.230 -10.144 -3.203 1.00 0.48 H ATOM 79 HG2 LYS A 6 5.955 -9.594 -4.803 1.00 0.82 H ATOM 80 HG3 LYS A 6 7.291 -8.663 -5.479 1.00 0.63 H ATOM 81 HD2 LYS A 6 8.564 -11.003 -5.040 1.00 1.65 H ATOM 82 HD3 LYS A 6 6.929 -11.603 -5.330 1.00 1.49 H ATOM 83 HE2 LYS A 6 6.878 -10.826 -7.511 1.00 2.26 H ATOM 84 HE3 LYS A 6 8.013 -9.518 -7.183 1.00 2.25 H ATOM 85 HZ1 LYS A 6 9.141 -12.130 -6.791 1.00 2.88 H ATOM 86 HZ2 LYS A 6 8.621 -11.866 -8.387 1.00 2.79 H ATOM 87 HZ3 LYS A 6 9.741 -10.809 -7.676 1.00 2.76 H ATOM 88 N LYS A 7 7.445 -10.474 -0.678 1.00 0.47 N ATOM 89 CA LYS A 7 7.543 -11.633 0.249 1.00 0.58 C ATOM 90 C LYS A 7 6.190 -11.810 0.907 1.00 0.52 C ATOM 91 O LYS A 7 5.774 -12.904 1.234 1.00 0.61 O ATOM 92 CB LYS A 7 8.578 -11.354 1.342 1.00 0.72 C ATOM 93 CG LYS A 7 9.849 -12.164 1.076 1.00 0.90 C ATOM 94 CD LYS A 7 10.473 -12.584 2.408 1.00 1.54 C ATOM 95 CE LYS A 7 11.654 -13.519 2.143 1.00 1.78 C ATOM 96 NZ LYS A 7 12.717 -12.775 1.412 1.00 2.71 N ATOM 97 H LYS A 7 8.090 -9.731 -0.623 1.00 0.45 H ATOM 98 HA LYS A 7 7.811 -12.525 -0.298 1.00 0.67 H ATOM 99 HB2 LYS A 7 8.808 -10.301 1.358 1.00 0.67 H ATOM 100 HB3 LYS A 7 8.169 -11.642 2.300 1.00 0.81 H ATOM 101 HG2 LYS A 7 9.600 -13.044 0.501 1.00 1.29 H ATOM 102 HG3 LYS A 7 10.555 -11.563 0.525 1.00 1.28 H ATOM 103 HD2 LYS A 7 10.818 -11.707 2.937 1.00 2.07 H ATOM 104 HD3 LYS A 7 9.736 -13.099 3.006 1.00 2.18 H ATOM 105 HE2 LYS A 7 12.046 -13.881 3.082 1.00 2.00 H ATOM 106 HE3 LYS A 7 11.323 -14.355 1.545 1.00 2.06 H ATOM 107 HZ1 LYS A 7 12.583 -11.752 1.554 1.00 3.10 H ATOM 108 HZ2 LYS A 7 13.650 -13.056 1.775 1.00 3.11 H ATOM 109 HZ3 LYS A 7 12.661 -12.995 0.398 1.00 3.19 H ATOM 110 N ASN A 8 5.506 -10.725 1.118 1.00 0.44 N ATOM 111 CA ASN A 8 4.186 -10.804 1.771 1.00 0.45 C ATOM 112 C ASN A 8 3.070 -10.753 0.730 1.00 0.40 C ATOM 113 O ASN A 8 2.599 -11.772 0.265 1.00 0.47 O ATOM 114 CB ASN A 8 4.034 -9.633 2.743 1.00 0.50 C ATOM 115 CG ASN A 8 4.353 -10.105 4.162 1.00 0.66 C ATOM 116 OD1 ASN A 8 3.494 -10.612 4.855 1.00 0.85 O ATOM 117 ND2 ASN A 8 5.563 -9.957 4.627 1.00 0.73 N ATOM 118 H ASN A 8 5.871 -9.853 0.855 1.00 0.42 H ATOM 119 HA ASN A 8 4.116 -11.729 2.321 1.00 0.51 H ATOM 120 HB2 ASN A 8 4.716 -8.843 2.465 1.00 0.52 H ATOM 121 HB3 ASN A 8 3.021 -9.265 2.708 1.00 0.55 H ATOM 122 HD21 ASN A 8 6.257 -9.547 4.065 1.00 0.75 H ATOM 123 HD22 ASN A 8 5.777 -10.256 5.536 1.00 0.86 H ATOM 124 N ASN A 9 2.614 -9.581 0.380 1.00 0.34 N ATOM 125 CA ASN A 9 1.492 -9.509 -0.612 1.00 0.35 C ATOM 126 C ASN A 9 1.375 -8.125 -1.273 1.00 0.29 C ATOM 127 O ASN A 9 0.935 -8.004 -2.413 1.00 0.35 O ATOM 128 CB ASN A 9 0.165 -9.832 0.085 1.00 0.46 C ATOM 129 CG ASN A 9 0.382 -10.078 1.583 1.00 0.47 C ATOM 130 OD1 ASN A 9 0.786 -9.189 2.305 1.00 0.54 O ATOM 131 ND2 ASN A 9 0.128 -11.257 2.081 1.00 0.64 N ATOM 132 H ASN A 9 3.005 -8.766 0.764 1.00 0.33 H ATOM 133 HA ASN A 9 1.660 -10.245 -1.379 1.00 0.38 H ATOM 134 HB2 ASN A 9 -0.504 -9.002 -0.043 1.00 0.52 H ATOM 135 HB3 ASN A 9 -0.268 -10.714 -0.362 1.00 0.54 H ATOM 136 HD21 ASN A 9 -0.199 -11.976 1.496 1.00 0.80 H ATOM 137 HD22 ASN A 9 0.263 -11.424 3.039 1.00 0.69 H ATOM 138 N CYS A 10 1.709 -7.074 -0.557 1.00 0.30 N ATOM 139 CA CYS A 10 1.557 -5.709 -1.135 1.00 0.29 C ATOM 140 C CYS A 10 2.037 -5.741 -2.576 1.00 0.33 C ATOM 141 O CYS A 10 1.309 -5.430 -3.498 1.00 0.63 O ATOM 142 CB CYS A 10 2.388 -4.681 -0.358 1.00 0.32 C ATOM 143 SG CYS A 10 2.024 -4.709 1.426 1.00 0.38 S ATOM 144 H CYS A 10 2.029 -7.183 0.356 1.00 0.38 H ATOM 145 HA CYS A 10 0.518 -5.423 -1.111 1.00 0.32 H ATOM 146 HB2 CYS A 10 3.435 -4.897 -0.503 1.00 0.43 H ATOM 147 HB3 CYS A 10 2.177 -3.695 -0.747 1.00 0.44 H ATOM 148 N ILE A 11 3.253 -6.142 -2.779 1.00 0.25 N ATOM 149 CA ILE A 11 3.774 -6.210 -4.163 1.00 0.27 C ATOM 150 C ILE A 11 2.995 -7.270 -4.941 1.00 0.29 C ATOM 151 O ILE A 11 2.863 -7.190 -6.146 1.00 0.36 O ATOM 152 CB ILE A 11 5.255 -6.552 -4.145 1.00 0.30 C ATOM 153 CG1 ILE A 11 6.054 -5.311 -3.749 1.00 0.43 C ATOM 154 CG2 ILE A 11 5.691 -7.003 -5.540 1.00 0.44 C ATOM 155 CD1 ILE A 11 5.866 -4.233 -4.815 1.00 1.40 C ATOM 156 H ILE A 11 3.815 -6.409 -2.019 1.00 0.43 H ATOM 157 HA ILE A 11 3.642 -5.259 -4.632 1.00 0.28 H ATOM 158 HB ILE A 11 5.425 -7.335 -3.434 1.00 0.42 H ATOM 159 HG12 ILE A 11 5.701 -4.942 -2.798 1.00 0.94 H ATOM 160 HG13 ILE A 11 7.101 -5.563 -3.674 1.00 0.86 H ATOM 161 HG21 ILE A 11 5.197 -6.395 -6.284 1.00 1.21 H ATOM 162 HG22 ILE A 11 6.760 -6.891 -5.637 1.00 1.03 H ATOM 163 HG23 ILE A 11 5.420 -8.037 -5.686 1.00 1.10 H ATOM 164 HD11 ILE A 11 5.381 -4.664 -5.678 1.00 1.89 H ATOM 165 HD12 ILE A 11 5.252 -3.438 -4.417 1.00 1.94 H ATOM 166 HD13 ILE A 11 6.829 -3.837 -5.101 1.00 1.97 H ATOM 167 N ALA A 12 2.465 -8.254 -4.266 1.00 0.29 N ATOM 168 CA ALA A 12 1.687 -9.297 -4.985 1.00 0.36 C ATOM 169 C ALA A 12 0.726 -8.599 -5.943 1.00 0.34 C ATOM 170 O ALA A 12 0.632 -8.946 -7.104 1.00 0.45 O ATOM 171 CB ALA A 12 0.894 -10.145 -3.989 1.00 0.41 C ATOM 172 H ALA A 12 2.571 -8.300 -3.293 1.00 0.28 H ATOM 173 HA ALA A 12 2.361 -9.929 -5.545 1.00 0.41 H ATOM 174 HB1 ALA A 12 1.556 -10.503 -3.215 1.00 1.18 H ATOM 175 HB2 ALA A 12 0.112 -9.546 -3.547 1.00 1.06 H ATOM 176 HB3 ALA A 12 0.455 -10.986 -4.504 1.00 1.05 H ATOM 177 N CYS A 13 0.020 -7.603 -5.473 1.00 0.24 N ATOM 178 CA CYS A 13 -0.920 -6.881 -6.391 1.00 0.25 C ATOM 179 C CYS A 13 -0.550 -5.390 -6.484 1.00 0.26 C ATOM 180 O CYS A 13 -1.300 -4.598 -7.020 1.00 0.44 O ATOM 181 CB CYS A 13 -2.362 -6.979 -5.890 1.00 0.25 C ATOM 182 SG CYS A 13 -2.763 -8.664 -5.341 1.00 0.31 S ATOM 183 H CYS A 13 0.118 -7.328 -4.528 1.00 0.22 H ATOM 184 HA CYS A 13 -0.858 -7.321 -7.375 1.00 0.28 H ATOM 185 HB2 CYS A 13 -2.490 -6.295 -5.069 1.00 0.22 H ATOM 186 HB3 CYS A 13 -3.032 -6.697 -6.690 1.00 0.28 H ATOM 187 N HIS A 14 0.592 -4.993 -5.986 1.00 0.23 N ATOM 188 CA HIS A 14 0.984 -3.558 -6.076 1.00 0.25 C ATOM 189 C HIS A 14 2.427 -3.474 -6.564 1.00 0.30 C ATOM 190 O HIS A 14 3.360 -3.622 -5.804 1.00 0.33 O ATOM 191 CB HIS A 14 0.923 -2.877 -4.708 1.00 0.24 C ATOM 192 CG HIS A 14 -0.495 -2.713 -4.221 1.00 0.23 C ATOM 193 ND1 HIS A 14 -1.332 -1.696 -4.691 1.00 0.26 N ATOM 194 CD2 HIS A 14 -1.194 -3.342 -3.218 1.00 0.22 C ATOM 195 CE1 HIS A 14 -2.470 -1.736 -3.962 1.00 0.26 C ATOM 196 NE2 HIS A 14 -2.417 -2.712 -3.063 1.00 0.24 N ATOM 197 H HIS A 14 1.197 -5.634 -5.572 1.00 0.35 H ATOM 198 HA HIS A 14 0.334 -3.044 -6.769 1.00 0.26 H ATOM 199 HB2 HIS A 14 1.477 -3.462 -3.995 1.00 0.23 H ATOM 200 HB3 HIS A 14 1.382 -1.902 -4.789 1.00 0.27 H ATOM 201 HD1 HIS A 14 -1.132 -1.069 -5.418 1.00 0.29 H ATOM 202 HD2 HIS A 14 -0.847 -4.189 -2.646 1.00 0.22 H ATOM 203 HE1 HIS A 14 -3.312 -1.072 -4.099 1.00 0.28 H ATOM 204 N GLN A 15 2.621 -3.228 -7.815 1.00 0.37 N ATOM 205 CA GLN A 15 4.014 -3.134 -8.337 1.00 0.45 C ATOM 206 C GLN A 15 4.580 -1.753 -7.998 1.00 0.49 C ATOM 207 O GLN A 15 4.012 -1.019 -7.214 1.00 0.58 O ATOM 208 CB GLN A 15 4.011 -3.332 -9.854 1.00 0.51 C ATOM 209 CG GLN A 15 5.067 -4.371 -10.236 1.00 0.69 C ATOM 210 CD GLN A 15 4.438 -5.431 -11.143 1.00 1.19 C ATOM 211 OE1 GLN A 15 4.489 -6.608 -10.847 1.00 2.02 O ATOM 212 NE2 GLN A 15 3.843 -5.060 -12.244 1.00 1.68 N ATOM 213 H GLN A 15 1.857 -3.111 -8.407 1.00 0.40 H ATOM 214 HA GLN A 15 4.624 -3.897 -7.875 1.00 0.49 H ATOM 215 HB2 GLN A 15 3.036 -3.676 -10.170 1.00 0.46 H ATOM 216 HB3 GLN A 15 4.238 -2.396 -10.341 1.00 0.59 H ATOM 217 HG2 GLN A 15 5.878 -3.885 -10.757 1.00 1.00 H ATOM 218 HG3 GLN A 15 5.445 -4.845 -9.342 1.00 1.13 H ATOM 219 HE21 GLN A 15 3.803 -4.108 -12.483 1.00 2.06 H ATOM 220 HE22 GLN A 15 3.437 -5.734 -12.833 1.00 2.15 H ATOM 221 N VAL A 16 5.699 -1.395 -8.565 1.00 0.54 N ATOM 222 CA VAL A 16 6.296 -0.070 -8.254 1.00 0.64 C ATOM 223 C VAL A 16 5.776 0.983 -9.233 1.00 0.68 C ATOM 224 O VAL A 16 5.477 2.097 -8.855 1.00 0.79 O ATOM 225 CB VAL A 16 7.827 -0.137 -8.343 1.00 0.73 C ATOM 226 CG1 VAL A 16 8.424 0.234 -6.987 1.00 0.87 C ATOM 227 CG2 VAL A 16 8.299 -1.549 -8.711 1.00 0.75 C ATOM 228 H VAL A 16 6.150 -1.994 -9.188 1.00 0.58 H ATOM 229 HA VAL A 16 6.014 0.215 -7.251 1.00 0.70 H ATOM 230 HB VAL A 16 8.161 0.556 -9.092 1.00 0.77 H ATOM 231 HG11 VAL A 16 7.995 -0.398 -6.223 1.00 1.45 H ATOM 232 HG12 VAL A 16 9.493 0.092 -7.013 1.00 1.24 H ATOM 233 HG13 VAL A 16 8.202 1.267 -6.767 1.00 1.35 H ATOM 234 HG21 VAL A 16 7.802 -2.271 -8.080 1.00 1.26 H ATOM 235 HG22 VAL A 16 8.062 -1.750 -9.745 1.00 1.37 H ATOM 236 HG23 VAL A 16 9.367 -1.620 -8.566 1.00 1.15 H ATOM 237 N GLU A 17 5.666 0.645 -10.486 1.00 0.69 N ATOM 238 CA GLU A 17 5.163 1.637 -11.477 1.00 0.84 C ATOM 239 C GLU A 17 3.923 1.072 -12.164 1.00 0.81 C ATOM 240 O GLU A 17 3.022 1.794 -12.542 1.00 0.99 O ATOM 241 CB GLU A 17 6.249 1.913 -12.519 1.00 0.98 C ATOM 242 CG GLU A 17 5.657 2.725 -13.672 1.00 1.17 C ATOM 243 CD GLU A 17 6.788 3.268 -14.547 1.00 1.26 C ATOM 244 OE1 GLU A 17 7.861 2.688 -14.522 1.00 1.60 O ATOM 245 OE2 GLU A 17 6.562 4.254 -15.229 1.00 1.96 O ATOM 246 H GLU A 17 5.910 -0.260 -10.777 1.00 0.67 H ATOM 247 HA GLU A 17 4.908 2.554 -10.969 1.00 0.98 H ATOM 248 HB2 GLU A 17 7.054 2.469 -12.061 1.00 1.09 H ATOM 249 HB3 GLU A 17 6.629 0.977 -12.899 1.00 0.94 H ATOM 250 HG2 GLU A 17 5.013 2.091 -14.264 1.00 1.40 H ATOM 251 HG3 GLU A 17 5.085 3.550 -13.274 1.00 1.51 H ATOM 252 N THR A 18 3.873 -0.219 -12.324 1.00 0.70 N ATOM 253 CA THR A 18 2.699 -0.848 -12.980 1.00 0.77 C ATOM 254 C THR A 18 1.804 -1.477 -11.913 1.00 0.65 C ATOM 255 O THR A 18 2.238 -1.757 -10.814 1.00 0.74 O ATOM 256 CB THR A 18 3.189 -1.933 -13.939 1.00 0.93 C ATOM 257 OG1 THR A 18 4.590 -2.107 -13.774 1.00 1.45 O ATOM 258 CG2 THR A 18 2.892 -1.514 -15.377 1.00 1.57 C ATOM 259 H THR A 18 4.611 -0.777 -12.009 1.00 0.69 H ATOM 260 HA THR A 18 2.144 -0.102 -13.529 1.00 0.95 H ATOM 261 HB THR A 18 2.684 -2.859 -13.723 1.00 1.04 H ATOM 262 HG1 THR A 18 4.939 -2.489 -14.582 1.00 1.80 H ATOM 263 HG21 THR A 18 3.217 -0.495 -15.528 1.00 1.97 H ATOM 264 HG22 THR A 18 3.421 -2.165 -16.058 1.00 2.27 H ATOM 265 HG23 THR A 18 1.831 -1.586 -15.561 1.00 1.86 H ATOM 266 N LYS A 19 0.557 -1.700 -12.220 1.00 0.62 N ATOM 267 CA LYS A 19 -0.353 -2.309 -11.216 1.00 0.62 C ATOM 268 C LYS A 19 -1.045 -3.532 -11.822 1.00 0.58 C ATOM 269 O LYS A 19 -1.147 -3.666 -13.026 1.00 0.79 O ATOM 270 CB LYS A 19 -1.393 -1.272 -10.782 1.00 0.87 C ATOM 271 CG LYS A 19 -2.417 -1.040 -11.899 1.00 0.78 C ATOM 272 CD LYS A 19 -1.896 0.035 -12.856 1.00 1.38 C ATOM 273 CE LYS A 19 -3.076 0.707 -13.560 1.00 1.71 C ATOM 274 NZ LYS A 19 -2.940 2.188 -13.454 1.00 2.13 N ATOM 275 H LYS A 19 0.220 -1.466 -13.105 1.00 0.75 H ATOM 276 HA LYS A 19 0.224 -2.616 -10.358 1.00 0.66 H ATOM 277 HB2 LYS A 19 -1.900 -1.623 -9.896 1.00 1.31 H ATOM 278 HB3 LYS A 19 -0.892 -0.342 -10.563 1.00 1.45 H ATOM 279 HG2 LYS A 19 -2.582 -1.957 -12.443 1.00 1.22 H ATOM 280 HG3 LYS A 19 -3.349 -0.708 -11.466 1.00 1.15 H ATOM 281 HD2 LYS A 19 -1.340 0.774 -12.298 1.00 1.80 H ATOM 282 HD3 LYS A 19 -1.252 -0.421 -13.593 1.00 2.13 H ATOM 283 HE2 LYS A 19 -3.086 0.420 -14.601 1.00 2.29 H ATOM 284 HE3 LYS A 19 -3.999 0.397 -13.092 1.00 2.14 H ATOM 285 HZ1 LYS A 19 -1.974 2.467 -13.719 1.00 2.42 H ATOM 286 HZ2 LYS A 19 -3.622 2.644 -14.094 1.00 2.51 H ATOM 287 HZ3 LYS A 19 -3.128 2.485 -12.476 1.00 2.59 H ATOM 288 N VAL A 20 -1.520 -4.425 -10.999 1.00 0.54 N ATOM 289 CA VAL A 20 -2.206 -5.639 -11.530 1.00 0.63 C ATOM 290 C VAL A 20 -3.656 -5.657 -11.045 1.00 0.58 C ATOM 291 O VAL A 20 -4.584 -5.606 -11.828 1.00 0.79 O ATOM 292 CB VAL A 20 -1.487 -6.906 -11.046 1.00 0.73 C ATOM 293 CG1 VAL A 20 -0.530 -7.393 -12.136 1.00 0.91 C ATOM 294 CG2 VAL A 20 -0.690 -6.606 -9.772 1.00 0.73 C ATOM 295 H VAL A 20 -1.428 -4.298 -10.032 1.00 0.63 H ATOM 296 HA VAL A 20 -2.194 -5.611 -12.607 1.00 0.72 H ATOM 297 HB VAL A 20 -2.218 -7.675 -10.843 1.00 0.81 H ATOM 298 HG11 VAL A 20 -0.558 -6.710 -12.971 1.00 1.51 H ATOM 299 HG12 VAL A 20 0.473 -7.437 -11.740 1.00 1.41 H ATOM 300 HG13 VAL A 20 -0.831 -8.377 -12.465 1.00 1.25 H ATOM 301 HG21 VAL A 20 -1.249 -5.926 -9.147 1.00 1.26 H ATOM 302 HG22 VAL A 20 -0.513 -7.526 -9.234 1.00 1.16 H ATOM 303 HG23 VAL A 20 0.256 -6.156 -10.036 1.00 1.13 H ATOM 304 N VAL A 21 -3.859 -5.724 -9.760 1.00 0.49 N ATOM 305 CA VAL A 21 -5.249 -5.741 -9.224 1.00 0.48 C ATOM 306 C VAL A 21 -5.678 -4.311 -8.892 1.00 0.42 C ATOM 307 O VAL A 21 -6.588 -3.772 -9.488 1.00 0.52 O ATOM 308 CB VAL A 21 -5.298 -6.598 -7.958 1.00 0.55 C ATOM 309 CG1 VAL A 21 -6.750 -6.969 -7.648 1.00 0.58 C ATOM 310 CG2 VAL A 21 -4.483 -7.874 -8.175 1.00 0.63 C ATOM 311 H VAL A 21 -3.097 -5.761 -9.147 1.00 0.58 H ATOM 312 HA VAL A 21 -5.916 -6.154 -9.966 1.00 0.52 H ATOM 313 HB VAL A 21 -4.885 -6.040 -7.130 1.00 0.60 H ATOM 314 HG11 VAL A 21 -7.367 -6.085 -7.704 1.00 1.10 H ATOM 315 HG12 VAL A 21 -7.096 -7.696 -8.367 1.00 1.21 H ATOM 316 HG13 VAL A 21 -6.810 -7.388 -6.655 1.00 1.19 H ATOM 317 HG21 VAL A 21 -3.470 -7.613 -8.445 1.00 1.22 H ATOM 318 HG22 VAL A 21 -4.474 -8.455 -7.265 1.00 1.14 H ATOM 319 HG23 VAL A 21 -4.928 -8.455 -8.969 1.00 1.27 H ATOM 320 N GLY A 22 -5.026 -3.690 -7.946 1.00 0.43 N ATOM 321 CA GLY A 22 -5.394 -2.294 -7.580 1.00 0.43 C ATOM 322 C GLY A 22 -4.414 -1.323 -8.230 1.00 0.41 C ATOM 323 O GLY A 22 -3.902 -1.578 -9.301 1.00 0.49 O ATOM 324 H GLY A 22 -4.293 -4.142 -7.479 1.00 0.53 H ATOM 325 HA2 GLY A 22 -6.397 -2.080 -7.922 1.00 0.44 H ATOM 326 HA3 GLY A 22 -5.341 -2.171 -6.507 1.00 0.51 H ATOM 327 N PRO A 23 -4.177 -0.239 -7.543 1.00 0.36 N ATOM 328 CA PRO A 23 -3.251 0.805 -7.999 1.00 0.40 C ATOM 329 C PRO A 23 -1.806 0.385 -7.713 1.00 0.46 C ATOM 330 O PRO A 23 -1.550 -0.431 -6.850 1.00 0.85 O ATOM 331 CB PRO A 23 -3.631 2.014 -7.143 1.00 0.41 C ATOM 332 CG PRO A 23 -4.337 1.459 -5.886 1.00 0.40 C ATOM 333 CD PRO A 23 -4.819 0.048 -6.242 1.00 0.36 C ATOM 334 HA PRO A 23 -3.395 1.025 -9.044 1.00 0.42 H ATOM 335 HB2 PRO A 23 -2.740 2.540 -6.858 1.00 0.45 H ATOM 336 HB3 PRO A 23 -4.298 2.669 -7.683 1.00 0.43 H ATOM 337 HG2 PRO A 23 -3.641 1.417 -5.059 1.00 0.44 H ATOM 338 HG3 PRO A 23 -5.180 2.076 -5.629 1.00 0.44 H ATOM 339 HD2 PRO A 23 -4.495 -0.661 -5.493 1.00 0.38 H ATOM 340 HD3 PRO A 23 -5.893 0.029 -6.345 1.00 0.40 H ATOM 341 N ALA A 24 -0.860 0.944 -8.414 1.00 0.49 N ATOM 342 CA ALA A 24 0.562 0.580 -8.156 1.00 0.53 C ATOM 343 C ALA A 24 0.992 1.207 -6.828 1.00 0.54 C ATOM 344 O ALA A 24 0.204 1.831 -6.146 1.00 0.68 O ATOM 345 CB ALA A 24 1.448 1.103 -9.290 1.00 0.65 C ATOM 346 H ALA A 24 -1.082 1.610 -9.097 1.00 0.75 H ATOM 347 HA ALA A 24 0.654 -0.494 -8.091 1.00 0.52 H ATOM 348 HB1 ALA A 24 0.826 1.432 -10.110 1.00 1.12 H ATOM 349 HB2 ALA A 24 2.039 1.933 -8.932 1.00 1.25 H ATOM 350 HB3 ALA A 24 2.103 0.314 -9.630 1.00 0.98 H ATOM 351 N LEU A 25 2.227 1.042 -6.447 1.00 0.56 N ATOM 352 CA LEU A 25 2.686 1.625 -5.159 1.00 0.60 C ATOM 353 C LEU A 25 3.069 3.092 -5.357 1.00 0.69 C ATOM 354 O LEU A 25 2.542 3.976 -4.711 1.00 0.71 O ATOM 355 CB LEU A 25 3.902 0.844 -4.662 1.00 0.68 C ATOM 356 CG LEU A 25 3.467 -0.551 -4.214 1.00 0.59 C ATOM 357 CD1 LEU A 25 4.644 -1.263 -3.545 1.00 0.67 C ATOM 358 CD2 LEU A 25 2.313 -0.428 -3.216 1.00 0.54 C ATOM 359 H LEU A 25 2.850 0.531 -7.001 1.00 0.67 H ATOM 360 HA LEU A 25 1.894 1.557 -4.432 1.00 0.55 H ATOM 361 HB2 LEU A 25 4.624 0.757 -5.462 1.00 0.77 H ATOM 362 HB3 LEU A 25 4.348 1.365 -3.832 1.00 0.75 H ATOM 363 HG LEU A 25 3.144 -1.120 -5.073 1.00 0.59 H ATOM 364 HD11 LEU A 25 5.016 -0.658 -2.732 1.00 1.28 H ATOM 365 HD12 LEU A 25 4.316 -2.218 -3.162 1.00 1.09 H ATOM 366 HD13 LEU A 25 5.430 -1.417 -4.269 1.00 1.27 H ATOM 367 HD21 LEU A 25 2.548 0.331 -2.486 1.00 1.19 H ATOM 368 HD22 LEU A 25 1.410 -0.154 -3.742 1.00 1.11 H ATOM 369 HD23 LEU A 25 2.166 -1.375 -2.717 1.00 1.16 H ATOM 370 N LYS A 26 3.988 3.354 -6.240 1.00 0.78 N ATOM 371 CA LYS A 26 4.418 4.759 -6.478 1.00 0.88 C ATOM 372 C LYS A 26 3.194 5.674 -6.577 1.00 0.80 C ATOM 373 O LYS A 26 3.243 6.833 -6.207 1.00 0.86 O ATOM 374 CB LYS A 26 5.224 4.826 -7.781 1.00 0.99 C ATOM 375 CG LYS A 26 4.294 4.666 -8.989 1.00 0.93 C ATOM 376 CD LYS A 26 4.992 5.198 -10.243 1.00 1.06 C ATOM 377 CE LYS A 26 4.121 6.274 -10.893 1.00 1.55 C ATOM 378 NZ LYS A 26 4.943 7.069 -11.848 1.00 2.19 N ATOM 379 H LYS A 26 4.402 2.624 -6.743 1.00 0.80 H ATOM 380 HA LYS A 26 5.041 5.084 -5.658 1.00 0.97 H ATOM 381 HB2 LYS A 26 5.726 5.778 -7.840 1.00 1.09 H ATOM 382 HB3 LYS A 26 5.957 4.034 -7.789 1.00 1.04 H ATOM 383 HG2 LYS A 26 4.056 3.621 -9.125 1.00 0.96 H ATOM 384 HG3 LYS A 26 3.385 5.223 -8.827 1.00 0.96 H ATOM 385 HD2 LYS A 26 5.947 5.623 -9.970 1.00 1.50 H ATOM 386 HD3 LYS A 26 5.144 4.391 -10.942 1.00 1.38 H ATOM 387 HE2 LYS A 26 3.305 5.805 -11.423 1.00 1.98 H ATOM 388 HE3 LYS A 26 3.725 6.927 -10.129 1.00 2.09 H ATOM 389 HZ1 LYS A 26 5.905 6.676 -11.888 1.00 2.76 H ATOM 390 HZ2 LYS A 26 4.511 7.028 -12.794 1.00 2.48 H ATOM 391 HZ3 LYS A 26 4.988 8.057 -11.529 1.00 2.52 H ATOM 392 N ASP A 27 2.096 5.169 -7.067 1.00 0.68 N ATOM 393 CA ASP A 27 0.883 6.018 -7.186 1.00 0.62 C ATOM 394 C ASP A 27 0.174 6.094 -5.837 1.00 0.59 C ATOM 395 O ASP A 27 0.035 7.154 -5.274 1.00 0.64 O ATOM 396 CB ASP A 27 -0.083 5.458 -8.238 1.00 0.57 C ATOM 397 CG ASP A 27 0.465 4.183 -8.881 1.00 0.61 C ATOM 398 OD1 ASP A 27 0.195 3.120 -8.352 1.00 1.28 O ATOM 399 OD2 ASP A 27 1.144 4.293 -9.888 1.00 1.25 O ATOM 400 H ASP A 27 2.068 4.236 -7.350 1.00 0.67 H ATOM 401 HA ASP A 27 1.178 7.012 -7.480 1.00 0.67 H ATOM 402 HB2 ASP A 27 -1.008 5.227 -7.754 1.00 0.53 H ATOM 403 HB3 ASP A 27 -0.252 6.201 -9.003 1.00 0.60 H ATOM 404 N ILE A 28 -0.272 4.984 -5.310 1.00 0.55 N ATOM 405 CA ILE A 28 -0.969 5.016 -3.991 1.00 0.56 C ATOM 406 C ILE A 28 -0.208 5.946 -3.045 1.00 0.67 C ATOM 407 O ILE A 28 -0.788 6.767 -2.358 1.00 0.73 O ATOM 408 CB ILE A 28 -1.008 3.606 -3.400 1.00 0.55 C ATOM 409 CG1 ILE A 28 -1.834 2.697 -4.313 1.00 0.50 C ATOM 410 CG2 ILE A 28 -1.650 3.652 -2.012 1.00 0.59 C ATOM 411 CD1 ILE A 28 -1.461 1.237 -4.054 1.00 0.61 C ATOM 412 H ILE A 28 -0.145 4.131 -5.778 1.00 0.55 H ATOM 413 HA ILE A 28 -1.979 5.380 -4.123 1.00 0.53 H ATOM 414 HB ILE A 28 -0.002 3.221 -3.319 1.00 0.62 H ATOM 415 HG12 ILE A 28 -2.885 2.843 -4.109 1.00 0.51 H ATOM 416 HG13 ILE A 28 -1.630 2.941 -5.344 1.00 0.55 H ATOM 417 HG21 ILE A 28 -1.205 4.450 -1.437 1.00 1.10 H ATOM 418 HG22 ILE A 28 -2.711 3.829 -2.112 1.00 1.19 H ATOM 419 HG23 ILE A 28 -1.487 2.711 -1.509 1.00 1.23 H ATOM 420 HD11 ILE A 28 -0.388 1.125 -4.102 1.00 1.17 H ATOM 421 HD12 ILE A 28 -1.810 0.944 -3.074 1.00 1.18 H ATOM 422 HD13 ILE A 28 -1.922 0.609 -4.802 1.00 1.23 H ATOM 423 N ALA A 29 1.090 5.828 -3.016 1.00 0.78 N ATOM 424 CA ALA A 29 1.899 6.706 -2.127 1.00 0.92 C ATOM 425 C ALA A 29 1.783 8.154 -2.605 1.00 0.99 C ATOM 426 O ALA A 29 1.370 9.028 -1.867 1.00 1.10 O ATOM 427 CB ALA A 29 3.364 6.268 -2.172 1.00 1.03 C ATOM 428 H ALA A 29 1.534 5.165 -3.586 1.00 0.82 H ATOM 429 HA ALA A 29 1.531 6.630 -1.114 1.00 0.92 H ATOM 430 HB1 ALA A 29 3.422 5.194 -2.069 1.00 1.39 H ATOM 431 HB2 ALA A 29 3.800 6.563 -3.115 1.00 1.49 H ATOM 432 HB3 ALA A 29 3.905 6.736 -1.364 1.00 1.43 H ATOM 433 N ALA A 30 2.139 8.415 -3.837 1.00 0.99 N ATOM 434 CA ALA A 30 2.045 9.809 -4.360 1.00 1.08 C ATOM 435 C ALA A 30 0.577 10.239 -4.421 1.00 0.91 C ATOM 436 O ALA A 30 0.266 11.387 -4.670 1.00 0.92 O ATOM 437 CB ALA A 30 2.650 9.866 -5.765 1.00 1.19 C ATOM 438 H ALA A 30 2.467 7.693 -4.419 1.00 0.96 H ATOM 439 HA ALA A 30 2.589 10.475 -3.708 1.00 1.26 H ATOM 440 HB1 ALA A 30 3.586 9.329 -5.775 1.00 1.53 H ATOM 441 HB2 ALA A 30 1.967 9.414 -6.469 1.00 1.51 H ATOM 442 HB3 ALA A 30 2.822 10.896 -6.041 1.00 1.66 H ATOM 443 N LYS A 31 -0.328 9.326 -4.197 1.00 0.82 N ATOM 444 CA LYS A 31 -1.766 9.668 -4.242 1.00 0.74 C ATOM 445 C LYS A 31 -2.185 10.251 -2.896 1.00 0.95 C ATOM 446 O LYS A 31 -2.816 11.287 -2.823 1.00 1.10 O ATOM 447 CB LYS A 31 -2.557 8.392 -4.522 1.00 0.60 C ATOM 448 CG LYS A 31 -3.351 8.551 -5.820 1.00 0.56 C ATOM 449 CD LYS A 31 -4.842 8.365 -5.533 1.00 0.62 C ATOM 450 CE LYS A 31 -5.575 8.037 -6.835 1.00 1.17 C ATOM 451 NZ LYS A 31 -6.496 9.156 -7.182 1.00 1.68 N ATOM 452 H LYS A 31 -0.062 8.407 -4.000 1.00 0.85 H ATOM 453 HA LYS A 31 -1.947 10.387 -5.023 1.00 0.73 H ATOM 454 HB2 LYS A 31 -1.873 7.565 -4.616 1.00 0.59 H ATOM 455 HB3 LYS A 31 -3.228 8.200 -3.709 1.00 0.66 H ATOM 456 HG2 LYS A 31 -3.181 9.538 -6.227 1.00 0.62 H ATOM 457 HG3 LYS A 31 -3.028 7.806 -6.533 1.00 0.56 H ATOM 458 HD2 LYS A 31 -4.975 7.556 -4.829 1.00 1.03 H ATOM 459 HD3 LYS A 31 -5.244 9.276 -5.115 1.00 0.95 H ATOM 460 HE2 LYS A 31 -4.855 7.905 -7.629 1.00 1.72 H ATOM 461 HE3 LYS A 31 -6.143 7.128 -6.709 1.00 1.76 H ATOM 462 HZ1 LYS A 31 -6.791 9.645 -6.313 1.00 1.98 H ATOM 463 HZ2 LYS A 31 -6.007 9.826 -7.809 1.00 2.24 H ATOM 464 HZ3 LYS A 31 -7.335 8.777 -7.665 1.00 2.10 H ATOM 465 N TYR A 32 -1.842 9.589 -1.828 1.00 1.01 N ATOM 466 CA TYR A 32 -2.227 10.107 -0.483 1.00 1.26 C ATOM 467 C TYR A 32 -1.024 10.084 0.469 1.00 1.69 C ATOM 468 O TYR A 32 -0.949 10.864 1.393 1.00 2.10 O ATOM 469 CB TYR A 32 -3.341 9.233 0.097 1.00 0.96 C ATOM 470 CG TYR A 32 -4.536 9.251 -0.826 1.00 1.08 C ATOM 471 CD1 TYR A 32 -5.384 10.365 -0.853 1.00 1.72 C ATOM 472 CD2 TYR A 32 -4.797 8.152 -1.654 1.00 1.66 C ATOM 473 CE1 TYR A 32 -6.493 10.380 -1.707 1.00 1.97 C ATOM 474 CE2 TYR A 32 -5.906 8.167 -2.508 1.00 1.94 C ATOM 475 CZ TYR A 32 -6.754 9.281 -2.535 1.00 1.75 C ATOM 476 OH TYR A 32 -7.847 9.296 -3.377 1.00 2.18 O ATOM 477 H TYR A 32 -1.338 8.750 -1.914 1.00 0.95 H ATOM 478 HA TYR A 32 -2.585 11.121 -0.581 1.00 1.53 H ATOM 479 HB2 TYR A 32 -2.983 8.219 0.202 1.00 0.88 H ATOM 480 HB3 TYR A 32 -3.630 9.616 1.066 1.00 0.99 H ATOM 481 HD1 TYR A 32 -5.183 11.212 -0.214 1.00 2.43 H ATOM 482 HD2 TYR A 32 -4.142 7.294 -1.633 1.00 2.34 H ATOM 483 HE1 TYR A 32 -7.147 11.239 -1.728 1.00 2.73 H ATOM 484 HE2 TYR A 32 -6.108 7.319 -3.146 1.00 2.71 H ATOM 485 HH TYR A 32 -7.985 8.402 -3.701 1.00 2.43 H ATOM 486 N ALA A 33 -0.086 9.199 0.255 1.00 1.80 N ATOM 487 CA ALA A 33 1.100 9.124 1.160 1.00 2.36 C ATOM 488 C ALA A 33 2.188 10.061 0.656 1.00 2.26 C ATOM 489 O ALA A 33 3.359 9.735 0.651 1.00 3.17 O ATOM 490 CB ALA A 33 1.635 7.697 1.173 1.00 2.74 C ATOM 491 H ALA A 33 -0.160 8.585 -0.498 1.00 1.66 H ATOM 492 HA ALA A 33 0.813 9.410 2.159 1.00 2.68 H ATOM 493 HB1 ALA A 33 0.946 7.051 0.652 1.00 2.83 H ATOM 494 HB2 ALA A 33 2.595 7.672 0.680 1.00 3.07 H ATOM 495 HB3 ALA A 33 1.745 7.363 2.193 1.00 3.15 H ATOM 496 N ASP A 34 1.804 11.218 0.225 1.00 1.35 N ATOM 497 CA ASP A 34 2.802 12.192 -0.294 1.00 1.25 C ATOM 498 C ASP A 34 2.691 13.511 0.469 1.00 1.14 C ATOM 499 O ASP A 34 3.373 14.469 0.166 1.00 1.85 O ATOM 500 CB ASP A 34 2.518 12.453 -1.771 1.00 1.87 C ATOM 501 CG ASP A 34 3.795 12.932 -2.463 1.00 2.05 C ATOM 502 OD1 ASP A 34 4.028 14.129 -2.470 1.00 2.57 O ATOM 503 OD2 ASP A 34 4.518 12.093 -2.976 1.00 2.19 O ATOM 504 H ASP A 34 0.853 11.442 0.236 1.00 1.07 H ATOM 505 HA ASP A 34 3.798 11.789 -0.184 1.00 1.94 H ATOM 506 HB2 ASP A 34 2.172 11.542 -2.236 1.00 2.63 H ATOM 507 HB3 ASP A 34 1.757 13.214 -1.855 1.00 2.00 H ATOM 508 N LYS A 35 1.825 13.583 1.440 1.00 1.46 N ATOM 509 CA LYS A 35 1.671 14.862 2.188 1.00 2.64 C ATOM 510 C LYS A 35 2.118 14.711 3.649 1.00 2.82 C ATOM 511 O LYS A 35 3.291 14.788 3.958 1.00 3.22 O ATOM 512 CB LYS A 35 0.205 15.300 2.140 1.00 3.49 C ATOM 513 CG LYS A 35 -0.228 15.476 0.688 1.00 3.44 C ATOM 514 CD LYS A 35 0.361 16.772 0.129 1.00 4.42 C ATOM 515 CE LYS A 35 0.180 16.801 -1.390 1.00 4.74 C ATOM 516 NZ LYS A 35 1.503 16.622 -2.052 1.00 5.37 N ATOM 517 H LYS A 35 1.268 12.809 1.662 1.00 1.41 H ATOM 518 HA LYS A 35 2.276 15.618 1.714 1.00 3.06 H ATOM 519 HB2 LYS A 35 -0.412 14.546 2.605 1.00 3.57 H ATOM 520 HB3 LYS A 35 0.091 16.236 2.664 1.00 4.34 H ATOM 521 HG2 LYS A 35 0.125 14.637 0.108 1.00 3.32 H ATOM 522 HG3 LYS A 35 -1.304 15.520 0.641 1.00 3.28 H ATOM 523 HD2 LYS A 35 -0.147 17.618 0.569 1.00 4.81 H ATOM 524 HD3 LYS A 35 1.413 16.822 0.364 1.00 4.88 H ATOM 525 HE2 LYS A 35 -0.483 16.002 -1.689 1.00 4.85 H ATOM 526 HE3 LYS A 35 -0.244 17.750 -1.684 1.00 4.87 H ATOM 527 HZ1 LYS A 35 2.247 17.037 -1.457 1.00 5.66 H ATOM 528 HZ2 LYS A 35 1.689 15.606 -2.184 1.00 5.69 H ATOM 529 HZ3 LYS A 35 1.496 17.097 -2.976 1.00 5.59 H ATOM 530 N ASP A 36 1.191 14.534 4.552 1.00 2.81 N ATOM 531 CA ASP A 36 1.558 14.421 5.997 1.00 2.96 C ATOM 532 C ASP A 36 1.821 12.956 6.380 1.00 1.92 C ATOM 533 O ASP A 36 2.554 12.255 5.711 1.00 1.93 O ATOM 534 CB ASP A 36 0.417 14.992 6.843 1.00 3.63 C ATOM 535 CG ASP A 36 0.949 15.382 8.223 1.00 4.48 C ATOM 536 OD1 ASP A 36 1.933 14.797 8.644 1.00 4.80 O ATOM 537 OD2 ASP A 36 0.364 16.260 8.836 1.00 5.04 O ATOM 538 H ASP A 36 0.250 14.496 4.282 1.00 2.91 H ATOM 539 HA ASP A 36 2.453 14.998 6.179 1.00 3.55 H ATOM 540 HB2 ASP A 36 0.009 15.865 6.354 1.00 3.82 H ATOM 541 HB3 ASP A 36 -0.357 14.247 6.955 1.00 3.60 H ATOM 542 N ASP A 37 1.235 12.486 7.459 1.00 1.64 N ATOM 543 CA ASP A 37 1.459 11.075 7.884 1.00 1.16 C ATOM 544 C ASP A 37 0.445 10.170 7.188 1.00 1.09 C ATOM 545 O ASP A 37 -0.014 9.181 7.738 1.00 1.27 O ATOM 546 CB ASP A 37 1.282 10.964 9.402 1.00 2.00 C ATOM 547 CG ASP A 37 -0.020 11.652 9.814 1.00 2.79 C ATOM 548 OD1 ASP A 37 -0.081 12.867 9.719 1.00 3.28 O ATOM 549 OD2 ASP A 37 -0.933 10.953 10.220 1.00 3.36 O ATOM 550 H ASP A 37 0.652 13.060 7.989 1.00 2.24 H ATOM 551 HA ASP A 37 2.460 10.772 7.613 1.00 1.07 H ATOM 552 HB2 ASP A 37 1.244 9.921 9.686 1.00 2.39 H ATOM 553 HB3 ASP A 37 2.113 11.443 9.898 1.00 2.01 H ATOM 554 N ALA A 38 0.090 10.497 5.980 1.00 1.16 N ATOM 555 CA ALA A 38 -0.886 9.655 5.247 1.00 1.18 C ATOM 556 C ALA A 38 -0.448 8.194 5.338 1.00 0.94 C ATOM 557 O ALA A 38 -1.244 7.290 5.198 1.00 0.97 O ATOM 558 CB ALA A 38 -0.932 10.088 3.787 1.00 1.46 C ATOM 559 H ALA A 38 0.468 11.294 5.555 1.00 1.41 H ATOM 560 HA ALA A 38 -1.864 9.769 5.689 1.00 1.29 H ATOM 561 HB1 ALA A 38 -0.182 10.845 3.612 1.00 1.96 H ATOM 562 HB2 ALA A 38 -0.738 9.238 3.154 1.00 1.83 H ATOM 563 HB3 ALA A 38 -1.909 10.490 3.561 1.00 1.73 H ATOM 564 N ALA A 39 0.811 7.951 5.579 1.00 0.85 N ATOM 565 CA ALA A 39 1.279 6.544 5.689 1.00 0.88 C ATOM 566 C ALA A 39 0.438 5.835 6.747 1.00 0.86 C ATOM 567 O ALA A 39 -0.184 4.826 6.487 1.00 1.09 O ATOM 568 CB ALA A 39 2.750 6.526 6.103 1.00 1.00 C ATOM 569 H ALA A 39 1.445 8.690 5.694 1.00 0.91 H ATOM 570 HA ALA A 39 1.161 6.047 4.740 1.00 1.02 H ATOM 571 HB1 ALA A 39 3.281 7.297 5.565 1.00 1.46 H ATOM 572 HB2 ALA A 39 2.828 6.709 7.165 1.00 1.54 H ATOM 573 HB3 ALA A 39 3.179 5.563 5.870 1.00 1.33 H ATOM 574 N THR A 40 0.404 6.370 7.937 1.00 0.84 N ATOM 575 CA THR A 40 -0.406 5.744 9.020 1.00 1.05 C ATOM 576 C THR A 40 -1.892 5.923 8.698 1.00 1.00 C ATOM 577 O THR A 40 -2.672 4.988 8.755 1.00 1.15 O ATOM 578 CB THR A 40 -0.086 6.423 10.354 1.00 1.31 C ATOM 579 OG1 THR A 40 0.521 7.684 10.108 1.00 1.57 O ATOM 580 CG2 THR A 40 0.870 5.543 11.161 1.00 1.68 C ATOM 581 H THR A 40 0.907 7.190 8.115 1.00 0.87 H ATOM 582 HA THR A 40 -0.174 4.691 9.083 1.00 1.19 H ATOM 583 HB THR A 40 -0.997 6.564 10.915 1.00 1.51 H ATOM 584 HG1 THR A 40 1.465 7.542 10.000 1.00 1.81 H ATOM 585 HG21 THR A 40 1.709 5.262 10.543 1.00 2.05 H ATOM 586 HG22 THR A 40 1.225 6.091 12.022 1.00 2.21 H ATOM 587 HG23 THR A 40 0.351 4.655 11.490 1.00 1.95 H ATOM 588 N TYR A 41 -2.291 7.111 8.332 1.00 0.86 N ATOM 589 CA TYR A 41 -3.719 7.330 7.984 1.00 0.90 C ATOM 590 C TYR A 41 -4.119 6.259 7.005 1.00 0.82 C ATOM 591 O TYR A 41 -4.961 5.412 7.251 1.00 0.88 O ATOM 592 CB TYR A 41 -3.862 8.677 7.281 1.00 0.95 C ATOM 593 CG TYR A 41 -5.283 8.874 6.789 1.00 1.08 C ATOM 594 CD1 TYR A 41 -5.790 8.078 5.749 1.00 1.53 C ATOM 595 CD2 TYR A 41 -6.089 9.869 7.356 1.00 1.78 C ATOM 596 CE1 TYR A 41 -7.085 8.275 5.281 1.00 1.64 C ATOM 597 CE2 TYR A 41 -7.393 10.068 6.882 1.00 1.91 C ATOM 598 CZ TYR A 41 -7.890 9.271 5.843 1.00 1.43 C ATOM 599 OH TYR A 41 -9.174 9.468 5.376 1.00 1.63 O ATOM 600 H TYR A 41 -1.648 7.851 8.260 1.00 0.80 H ATOM 601 HA TYR A 41 -4.339 7.295 8.867 1.00 1.03 H ATOM 602 HB2 TYR A 41 -3.600 9.458 7.957 1.00 1.06 H ATOM 603 HB3 TYR A 41 -3.192 8.706 6.436 1.00 0.86 H ATOM 604 HD1 TYR A 41 -5.186 7.301 5.315 1.00 2.24 H ATOM 605 HD2 TYR A 41 -5.705 10.483 8.157 1.00 2.53 H ATOM 606 HE1 TYR A 41 -7.457 7.661 4.475 1.00 2.36 H ATOM 607 HE2 TYR A 41 -8.015 10.836 7.319 1.00 2.72 H ATOM 608 HH TYR A 41 -9.120 9.977 4.563 1.00 1.83 H ATOM 609 N LEU A 42 -3.526 6.328 5.864 1.00 0.75 N ATOM 610 CA LEU A 42 -3.855 5.355 4.813 1.00 0.73 C ATOM 611 C LEU A 42 -3.681 3.973 5.383 1.00 0.75 C ATOM 612 O LEU A 42 -4.446 3.079 5.111 1.00 0.80 O ATOM 613 CB LEU A 42 -2.962 5.585 3.605 1.00 0.78 C ATOM 614 CG LEU A 42 -3.428 6.864 2.912 1.00 0.89 C ATOM 615 CD1 LEU A 42 -2.217 7.618 2.363 1.00 1.04 C ATOM 616 CD2 LEU A 42 -4.369 6.505 1.760 1.00 1.02 C ATOM 617 H LEU A 42 -2.879 7.046 5.699 1.00 0.76 H ATOM 618 HA LEU A 42 -4.875 5.481 4.534 1.00 0.79 H ATOM 619 HB2 LEU A 42 -1.935 5.695 3.927 1.00 0.78 H ATOM 620 HB3 LEU A 42 -3.045 4.755 2.926 1.00 0.83 H ATOM 621 HG LEU A 42 -3.956 7.488 3.631 1.00 0.89 H ATOM 622 HD11 LEU A 42 -1.385 7.501 3.041 1.00 1.49 H ATOM 623 HD12 LEU A 42 -1.952 7.218 1.396 1.00 1.37 H ATOM 624 HD13 LEU A 42 -2.459 8.666 2.266 1.00 1.58 H ATOM 625 HD21 LEU A 42 -4.016 5.608 1.272 1.00 1.37 H ATOM 626 HD22 LEU A 42 -5.364 6.337 2.147 1.00 1.45 H ATOM 627 HD23 LEU A 42 -4.393 7.317 1.048 1.00 1.57 H ATOM 628 N ALA A 43 -2.718 3.812 6.226 1.00 0.80 N ATOM 629 CA ALA A 43 -2.534 2.492 6.875 1.00 0.96 C ATOM 630 C ALA A 43 -3.885 2.117 7.466 1.00 0.99 C ATOM 631 O ALA A 43 -4.255 0.956 7.546 1.00 1.14 O ATOM 632 CB ALA A 43 -1.488 2.583 7.990 1.00 1.12 C ATOM 633 H ALA A 43 -2.157 4.572 6.461 1.00 0.79 H ATOM 634 HA ALA A 43 -2.235 1.757 6.140 1.00 0.99 H ATOM 635 HB1 ALA A 43 -0.659 3.189 7.660 1.00 1.57 H ATOM 636 HB2 ALA A 43 -1.934 3.031 8.866 1.00 1.38 H ATOM 637 HB3 ALA A 43 -1.135 1.592 8.233 1.00 1.65 H ATOM 638 N GLY A 44 -4.653 3.114 7.833 1.00 0.93 N ATOM 639 CA GLY A 44 -6.007 2.837 8.372 1.00 1.05 C ATOM 640 C GLY A 44 -6.867 2.410 7.195 1.00 0.97 C ATOM 641 O GLY A 44 -7.669 1.501 7.280 1.00 1.06 O ATOM 642 H GLY A 44 -4.347 4.054 7.711 1.00 0.88 H ATOM 643 HA2 GLY A 44 -5.956 2.043 9.105 1.00 1.12 H ATOM 644 HA3 GLY A 44 -6.420 3.729 8.817 1.00 1.16 H ATOM 645 N LYS A 45 -6.672 3.056 6.079 1.00 0.88 N ATOM 646 CA LYS A 45 -7.443 2.686 4.861 1.00 0.89 C ATOM 647 C LYS A 45 -7.039 1.271 4.434 1.00 0.80 C ATOM 648 O LYS A 45 -7.858 0.482 4.004 1.00 0.84 O ATOM 649 CB LYS A 45 -7.125 3.672 3.734 1.00 0.99 C ATOM 650 CG LYS A 45 -7.880 4.981 3.971 1.00 1.23 C ATOM 651 CD LYS A 45 -8.235 5.616 2.625 1.00 1.48 C ATOM 652 CE LYS A 45 -9.749 5.811 2.536 1.00 1.88 C ATOM 653 NZ LYS A 45 -10.234 5.342 1.206 1.00 2.19 N ATOM 654 H LYS A 45 -5.998 3.776 6.041 1.00 0.87 H ATOM 655 HA LYS A 45 -8.501 2.711 5.079 1.00 0.97 H ATOM 656 HB2 LYS A 45 -6.062 3.866 3.716 1.00 1.06 H ATOM 657 HB3 LYS A 45 -7.430 3.248 2.789 1.00 1.22 H ATOM 658 HG2 LYS A 45 -8.785 4.779 4.525 1.00 1.73 H ATOM 659 HG3 LYS A 45 -7.256 5.659 4.533 1.00 1.51 H ATOM 660 HD2 LYS A 45 -7.742 6.573 2.538 1.00 1.73 H ATOM 661 HD3 LYS A 45 -7.910 4.969 1.824 1.00 2.03 H ATOM 662 HE2 LYS A 45 -10.233 5.241 3.316 1.00 2.33 H ATOM 663 HE3 LYS A 45 -9.984 6.858 2.656 1.00 2.43 H ATOM 664 HZ1 LYS A 45 -9.509 4.742 0.764 1.00 2.54 H ATOM 665 HZ2 LYS A 45 -11.107 4.793 1.329 1.00 2.45 H ATOM 666 HZ3 LYS A 45 -10.423 6.165 0.598 1.00 2.57 H ATOM 667 N ILE A 46 -5.778 0.942 4.560 1.00 0.77 N ATOM 668 CA ILE A 46 -5.314 -0.417 4.177 1.00 0.75 C ATOM 669 C ILE A 46 -6.073 -1.451 5.000 1.00 0.66 C ATOM 670 O ILE A 46 -6.756 -2.304 4.468 1.00 0.82 O ATOM 671 CB ILE A 46 -3.818 -0.545 4.469 1.00 0.83 C ATOM 672 CG1 ILE A 46 -3.072 0.627 3.838 1.00 1.00 C ATOM 673 CG2 ILE A 46 -3.292 -1.852 3.879 1.00 0.97 C ATOM 674 CD1 ILE A 46 -1.571 0.456 4.058 1.00 1.77 C ATOM 675 H ILE A 46 -5.137 1.587 4.915 1.00 0.82 H ATOM 676 HA ILE A 46 -5.495 -0.582 3.126 1.00 0.91 H ATOM 677 HB ILE A 46 -3.659 -0.543 5.538 1.00 0.80 H ATOM 678 HG12 ILE A 46 -3.284 0.656 2.784 1.00 0.91 H ATOM 679 HG13 ILE A 46 -3.394 1.546 4.293 1.00 1.15 H ATOM 680 HG21 ILE A 46 -4.070 -2.325 3.299 1.00 1.41 H ATOM 681 HG22 ILE A 46 -2.444 -1.643 3.243 1.00 1.42 H ATOM 682 HG23 ILE A 46 -2.989 -2.508 4.678 1.00 1.42 H ATOM 683 HD11 ILE A 46 -1.389 -0.459 4.600 1.00 2.16 H ATOM 684 HD12 ILE A 46 -1.069 0.417 3.103 1.00 2.34 H ATOM 685 HD13 ILE A 46 -1.196 1.293 4.629 1.00 2.13 H ATOM 686 N LYS A 47 -5.963 -1.383 6.299 1.00 0.62 N ATOM 687 CA LYS A 47 -6.687 -2.369 7.147 1.00 0.80 C ATOM 688 C LYS A 47 -8.188 -2.259 6.873 1.00 0.93 C ATOM 689 O LYS A 47 -8.919 -3.225 6.964 1.00 1.26 O ATOM 690 CB LYS A 47 -6.413 -2.079 8.624 1.00 0.91 C ATOM 691 CG LYS A 47 -6.621 -3.356 9.440 1.00 1.18 C ATOM 692 CD LYS A 47 -7.158 -2.995 10.826 1.00 1.30 C ATOM 693 CE LYS A 47 -8.059 -4.122 11.332 1.00 1.65 C ATOM 694 NZ LYS A 47 -7.759 -4.393 12.766 1.00 2.44 N ATOM 695 H LYS A 47 -5.407 -0.684 6.714 1.00 0.63 H ATOM 696 HA LYS A 47 -6.350 -3.368 6.904 1.00 0.92 H ATOM 697 HB2 LYS A 47 -5.395 -1.737 8.741 1.00 0.99 H ATOM 698 HB3 LYS A 47 -7.092 -1.316 8.973 1.00 0.88 H ATOM 699 HG2 LYS A 47 -7.331 -3.995 8.934 1.00 1.36 H ATOM 700 HG3 LYS A 47 -5.680 -3.874 9.544 1.00 1.55 H ATOM 701 HD2 LYS A 47 -6.330 -2.859 11.507 1.00 1.78 H ATOM 702 HD3 LYS A 47 -7.728 -2.080 10.764 1.00 1.58 H ATOM 703 HE2 LYS A 47 -9.093 -3.829 11.230 1.00 2.09 H ATOM 704 HE3 LYS A 47 -7.879 -5.015 10.751 1.00 1.96 H ATOM 705 HZ1 LYS A 47 -7.012 -3.748 13.092 1.00 2.83 H ATOM 706 HZ2 LYS A 47 -8.618 -4.245 13.334 1.00 2.88 H ATOM 707 HZ3 LYS A 47 -7.437 -5.375 12.873 1.00 2.88 H ATOM 708 N GLY A 48 -8.653 -1.087 6.533 1.00 0.86 N ATOM 709 CA GLY A 48 -10.106 -0.915 6.249 1.00 1.08 C ATOM 710 C GLY A 48 -10.417 -1.432 4.843 1.00 0.95 C ATOM 711 O GLY A 48 -11.557 -1.671 4.497 1.00 1.12 O ATOM 712 H GLY A 48 -8.046 -0.321 6.462 1.00 0.85 H ATOM 713 HA2 GLY A 48 -10.682 -1.471 6.976 1.00 1.26 H ATOM 714 HA3 GLY A 48 -10.362 0.132 6.308 1.00 1.20 H ATOM 715 N GLY A 49 -9.412 -1.606 4.028 1.00 0.78 N ATOM 716 CA GLY A 49 -9.649 -2.107 2.644 1.00 0.68 C ATOM 717 C GLY A 49 -10.269 -0.994 1.796 1.00 0.68 C ATOM 718 O GLY A 49 -10.586 0.071 2.288 1.00 0.81 O ATOM 719 H GLY A 49 -8.500 -1.406 4.327 1.00 0.83 H ATOM 720 HA2 GLY A 49 -8.708 -2.413 2.206 1.00 0.63 H ATOM 721 HA3 GLY A 49 -10.325 -2.949 2.674 1.00 0.74 H ATOM 722 N SER A 50 -10.442 -1.233 0.525 1.00 0.62 N ATOM 723 CA SER A 50 -11.040 -0.190 -0.354 1.00 0.72 C ATOM 724 C SER A 50 -12.107 -0.824 -1.248 1.00 0.74 C ATOM 725 O SER A 50 -12.040 -1.992 -1.576 1.00 1.10 O ATOM 726 CB SER A 50 -9.950 0.427 -1.220 1.00 0.80 C ATOM 727 OG SER A 50 -9.988 1.842 -1.087 1.00 1.24 O ATOM 728 H SER A 50 -10.179 -2.098 0.149 1.00 0.56 H ATOM 729 HA SER A 50 -11.487 0.578 0.249 1.00 0.85 H ATOM 730 HB2 SER A 50 -8.989 0.067 -0.899 1.00 1.12 H ATOM 731 HB3 SER A 50 -10.115 0.147 -2.246 1.00 1.13 H ATOM 732 HG SER A 50 -9.390 2.217 -1.737 1.00 1.67 H ATOM 733 N SER A 51 -13.092 -0.066 -1.645 1.00 0.67 N ATOM 734 CA SER A 51 -14.161 -0.633 -2.515 1.00 0.81 C ATOM 735 C SER A 51 -14.371 0.271 -3.732 1.00 0.89 C ATOM 736 O SER A 51 -14.440 -0.191 -4.854 1.00 1.10 O ATOM 737 CB SER A 51 -15.465 -0.729 -1.722 1.00 0.99 C ATOM 738 OG SER A 51 -15.644 -2.066 -1.274 1.00 1.72 O ATOM 739 H SER A 51 -13.131 0.874 -1.370 1.00 0.81 H ATOM 740 HA SER A 51 -13.870 -1.618 -2.846 1.00 0.89 H ATOM 741 HB2 SER A 51 -15.420 -0.072 -0.869 1.00 1.44 H ATOM 742 HB3 SER A 51 -16.293 -0.436 -2.355 1.00 1.33 H ATOM 743 HG SER A 51 -16.301 -2.059 -0.574 1.00 2.24 H ATOM 744 N GLY A 52 -14.478 1.555 -3.523 1.00 0.93 N ATOM 745 CA GLY A 52 -14.688 2.479 -4.674 1.00 1.10 C ATOM 746 C GLY A 52 -13.774 3.698 -4.536 1.00 1.01 C ATOM 747 O GLY A 52 -14.069 4.764 -5.039 1.00 1.18 O ATOM 748 H GLY A 52 -14.424 1.911 -2.612 1.00 0.97 H ATOM 749 HA2 GLY A 52 -14.461 1.960 -5.596 1.00 1.17 H ATOM 750 HA3 GLY A 52 -15.718 2.806 -4.689 1.00 1.30 H ATOM 751 N VAL A 53 -12.665 3.553 -3.864 1.00 0.84 N ATOM 752 CA VAL A 53 -11.738 4.708 -3.705 1.00 0.80 C ATOM 753 C VAL A 53 -10.825 4.794 -4.929 1.00 0.71 C ATOM 754 O VAL A 53 -10.310 5.843 -5.261 1.00 0.80 O ATOM 755 CB VAL A 53 -10.886 4.513 -2.450 1.00 0.73 C ATOM 756 CG1 VAL A 53 -10.097 5.792 -2.164 1.00 0.84 C ATOM 757 CG2 VAL A 53 -11.797 4.200 -1.261 1.00 0.87 C ATOM 758 H VAL A 53 -12.440 2.685 -3.468 1.00 0.81 H ATOM 759 HA VAL A 53 -12.309 5.620 -3.616 1.00 0.96 H ATOM 760 HB VAL A 53 -10.199 3.694 -2.605 1.00 0.61 H ATOM 761 HG11 VAL A 53 -10.736 6.650 -2.312 1.00 1.19 H ATOM 762 HG12 VAL A 53 -9.745 5.777 -1.143 1.00 1.43 H ATOM 763 HG13 VAL A 53 -9.253 5.851 -2.835 1.00 1.34 H ATOM 764 HG21 VAL A 53 -12.829 4.248 -1.575 1.00 1.27 H ATOM 765 HG22 VAL A 53 -11.578 3.210 -0.891 1.00 1.49 H ATOM 766 HG23 VAL A 53 -11.626 4.923 -0.477 1.00 1.31 H ATOM 767 N TRP A 54 -10.620 3.695 -5.601 1.00 0.61 N ATOM 768 CA TRP A 54 -9.740 3.707 -6.801 1.00 0.62 C ATOM 769 C TRP A 54 -10.554 3.329 -8.041 1.00 0.78 C ATOM 770 O TRP A 54 -10.762 4.133 -8.927 1.00 0.96 O ATOM 771 CB TRP A 54 -8.604 2.711 -6.597 1.00 0.53 C ATOM 772 CG TRP A 54 -7.648 3.262 -5.586 1.00 0.45 C ATOM 773 CD1 TRP A 54 -7.786 3.151 -4.244 1.00 0.46 C ATOM 774 CD2 TRP A 54 -6.416 4.009 -5.809 1.00 0.43 C ATOM 775 NE1 TRP A 54 -6.724 3.792 -3.632 1.00 0.47 N ATOM 776 CE2 TRP A 54 -5.853 4.333 -4.552 1.00 0.44 C ATOM 777 CE3 TRP A 54 -5.739 4.433 -6.965 1.00 0.46 C ATOM 778 CZ2 TRP A 54 -4.664 5.053 -4.444 1.00 0.47 C ATOM 779 CZ3 TRP A 54 -4.540 5.157 -6.861 1.00 0.46 C ATOM 780 CH2 TRP A 54 -4.003 5.467 -5.601 1.00 0.46 C ATOM 781 H TRP A 54 -11.043 2.859 -5.313 1.00 0.59 H ATOM 782 HA TRP A 54 -9.326 4.689 -6.929 1.00 0.65 H ATOM 783 HB2 TRP A 54 -9.012 1.786 -6.240 1.00 0.52 H ATOM 784 HB3 TRP A 54 -8.092 2.547 -7.532 1.00 0.60 H ATOM 785 HD1 TRP A 54 -8.595 2.649 -3.734 1.00 0.49 H ATOM 786 HE1 TRP A 54 -6.586 3.862 -2.666 1.00 0.52 H ATOM 787 HE3 TRP A 54 -6.143 4.200 -7.939 1.00 0.52 H ATOM 788 HZ2 TRP A 54 -4.257 5.288 -3.472 1.00 0.54 H ATOM 789 HZ3 TRP A 54 -4.026 5.470 -7.756 1.00 0.49 H ATOM 790 HH2 TRP A 54 -3.082 6.028 -5.524 1.00 0.50 H ATOM 791 N GLY A 55 -11.020 2.112 -8.109 1.00 0.76 N ATOM 792 CA GLY A 55 -11.827 1.687 -9.292 1.00 0.95 C ATOM 793 C GLY A 55 -11.498 0.246 -9.656 1.00 0.69 C ATOM 794 O GLY A 55 -12.190 -0.398 -10.420 1.00 1.06 O ATOM 795 H GLY A 55 -10.843 1.480 -7.382 1.00 0.66 H ATOM 796 HA2 GLY A 55 -12.867 1.758 -9.049 1.00 1.30 H ATOM 797 HA3 GLY A 55 -11.598 2.324 -10.129 1.00 1.44 H ATOM 798 N GLN A 56 -10.447 -0.253 -9.107 1.00 0.88 N ATOM 799 CA GLN A 56 -10.026 -1.652 -9.389 1.00 1.39 C ATOM 800 C GLN A 56 -10.870 -2.615 -8.539 1.00 1.06 C ATOM 801 O GLN A 56 -11.955 -2.281 -8.108 1.00 1.21 O ATOM 802 CB GLN A 56 -8.538 -1.784 -9.038 1.00 2.20 C ATOM 803 CG GLN A 56 -7.691 -1.373 -10.245 1.00 2.85 C ATOM 804 CD GLN A 56 -8.227 -0.066 -10.832 1.00 3.60 C ATOM 805 OE1 GLN A 56 -8.047 0.990 -10.259 1.00 4.14 O ATOM 806 NE2 GLN A 56 -8.885 -0.093 -11.959 1.00 4.18 N ATOM 807 H GLN A 56 -9.925 0.303 -8.503 1.00 1.10 H ATOM 808 HA GLN A 56 -10.172 -1.871 -10.436 1.00 1.77 H ATOM 809 HB2 GLN A 56 -8.308 -1.138 -8.203 1.00 2.44 H ATOM 810 HB3 GLN A 56 -8.309 -2.801 -8.774 1.00 2.41 H ATOM 811 HG2 GLN A 56 -6.666 -1.233 -9.933 1.00 3.11 H ATOM 812 HG3 GLN A 56 -7.736 -2.147 -10.996 1.00 3.15 H ATOM 813 HE21 GLN A 56 -9.031 -0.948 -12.421 1.00 4.17 H ATOM 814 HE22 GLN A 56 -9.233 0.741 -12.344 1.00 4.89 H ATOM 815 N ILE A 57 -10.385 -3.803 -8.292 1.00 0.84 N ATOM 816 CA ILE A 57 -11.159 -4.778 -7.474 1.00 0.63 C ATOM 817 C ILE A 57 -10.972 -4.414 -5.998 1.00 0.55 C ATOM 818 O ILE A 57 -9.959 -3.854 -5.628 1.00 0.55 O ATOM 819 CB ILE A 57 -10.608 -6.188 -7.770 1.00 0.67 C ATOM 820 CG1 ILE A 57 -11.297 -6.736 -9.022 1.00 0.88 C ATOM 821 CG2 ILE A 57 -10.853 -7.157 -6.602 1.00 0.78 C ATOM 822 CD1 ILE A 57 -10.251 -6.999 -10.107 1.00 1.66 C ATOM 823 H ILE A 57 -9.513 -4.061 -8.649 1.00 0.99 H ATOM 824 HA ILE A 57 -12.205 -4.728 -7.735 1.00 0.74 H ATOM 825 HB ILE A 57 -9.547 -6.120 -7.954 1.00 0.72 H ATOM 826 HG12 ILE A 57 -11.804 -7.659 -8.779 1.00 1.43 H ATOM 827 HG13 ILE A 57 -12.014 -6.015 -9.383 1.00 1.29 H ATOM 828 HG21 ILE A 57 -10.876 -6.620 -5.669 1.00 1.21 H ATOM 829 HG22 ILE A 57 -11.794 -7.664 -6.748 1.00 1.41 H ATOM 830 HG23 ILE A 57 -10.057 -7.887 -6.574 1.00 1.31 H ATOM 831 HD11 ILE A 57 -9.372 -7.440 -9.661 1.00 2.22 H ATOM 832 HD12 ILE A 57 -10.660 -7.675 -10.844 1.00 2.06 H ATOM 833 HD13 ILE A 57 -9.984 -6.067 -10.583 1.00 2.23 H ATOM 834 N PRO A 58 -11.957 -4.734 -5.196 1.00 0.58 N ATOM 835 CA PRO A 58 -11.920 -4.437 -3.754 1.00 0.60 C ATOM 836 C PRO A 58 -10.853 -5.284 -3.057 1.00 0.56 C ATOM 837 O PRO A 58 -10.827 -6.494 -3.164 1.00 0.76 O ATOM 838 CB PRO A 58 -13.337 -4.769 -3.274 1.00 0.72 C ATOM 839 CG PRO A 58 -13.937 -5.722 -4.331 1.00 0.78 C ATOM 840 CD PRO A 58 -13.184 -5.431 -5.642 1.00 0.70 C ATOM 841 HA PRO A 58 -11.721 -3.389 -3.596 1.00 0.61 H ATOM 842 HB2 PRO A 58 -13.297 -5.256 -2.309 1.00 0.77 H ATOM 843 HB3 PRO A 58 -13.930 -3.871 -3.215 1.00 0.78 H ATOM 844 HG2 PRO A 58 -13.788 -6.750 -4.031 1.00 0.86 H ATOM 845 HG3 PRO A 58 -14.989 -5.519 -4.461 1.00 0.84 H ATOM 846 HD2 PRO A 58 -12.946 -6.351 -6.149 1.00 0.74 H ATOM 847 HD3 PRO A 58 -13.767 -4.786 -6.279 1.00 0.74 H ATOM 848 N MET A 59 -9.962 -4.636 -2.360 1.00 0.42 N ATOM 849 CA MET A 59 -8.866 -5.359 -1.661 1.00 0.38 C ATOM 850 C MET A 59 -9.354 -5.842 -0.290 1.00 0.41 C ATOM 851 O MET A 59 -10.097 -5.150 0.377 1.00 0.45 O ATOM 852 CB MET A 59 -7.695 -4.388 -1.479 1.00 0.35 C ATOM 853 CG MET A 59 -6.518 -5.099 -0.810 1.00 0.32 C ATOM 854 SD MET A 59 -5.373 -3.874 -0.123 1.00 0.33 S ATOM 855 CE MET A 59 -6.579 -2.925 0.836 1.00 0.51 C ATOM 856 H MET A 59 -10.006 -3.658 -2.307 1.00 0.47 H ATOM 857 HA MET A 59 -8.549 -6.201 -2.256 1.00 0.41 H ATOM 858 HB2 MET A 59 -7.388 -4.016 -2.445 1.00 0.38 H ATOM 859 HB3 MET A 59 -8.013 -3.561 -0.862 1.00 0.37 H ATOM 860 HG2 MET A 59 -6.886 -5.728 -0.013 1.00 0.35 H ATOM 861 HG3 MET A 59 -6.001 -5.705 -1.540 1.00 0.32 H ATOM 862 HE1 MET A 59 -7.458 -3.525 1.007 1.00 1.12 H ATOM 863 HE2 MET A 59 -6.143 -2.647 1.786 1.00 1.21 H ATOM 864 HE3 MET A 59 -6.854 -2.035 0.286 1.00 1.12 H ATOM 865 N PRO A 60 -8.908 -7.012 0.097 1.00 0.44 N ATOM 866 CA PRO A 60 -9.273 -7.605 1.397 1.00 0.51 C ATOM 867 C PRO A 60 -8.553 -6.868 2.532 1.00 0.49 C ATOM 868 O PRO A 60 -7.761 -5.981 2.283 1.00 0.43 O ATOM 869 CB PRO A 60 -8.810 -9.062 1.272 1.00 0.57 C ATOM 870 CG PRO A 60 -7.741 -9.088 0.157 1.00 0.54 C ATOM 871 CD PRO A 60 -7.997 -7.848 -0.718 1.00 0.45 C ATOM 872 HA PRO A 60 -10.341 -7.570 1.540 1.00 0.59 H ATOM 873 HB2 PRO A 60 -8.378 -9.396 2.204 1.00 0.57 H ATOM 874 HB3 PRO A 60 -9.638 -9.695 0.996 1.00 0.66 H ATOM 875 HG2 PRO A 60 -6.752 -9.042 0.591 1.00 0.53 H ATOM 876 HG3 PRO A 60 -7.847 -9.982 -0.439 1.00 0.62 H ATOM 877 HD2 PRO A 60 -7.071 -7.332 -0.914 1.00 0.40 H ATOM 878 HD3 PRO A 60 -8.478 -8.130 -1.641 1.00 0.49 H ATOM 879 N PRO A 61 -8.863 -7.243 3.747 1.00 0.61 N ATOM 880 CA PRO A 61 -8.269 -6.614 4.941 1.00 0.65 C ATOM 881 C PRO A 61 -6.810 -7.040 5.130 1.00 0.59 C ATOM 882 O PRO A 61 -6.513 -8.018 5.787 1.00 0.66 O ATOM 883 CB PRO A 61 -9.154 -7.111 6.089 1.00 0.82 C ATOM 884 CG PRO A 61 -9.839 -8.401 5.584 1.00 0.89 C ATOM 885 CD PRO A 61 -9.822 -8.329 4.045 1.00 0.75 C ATOM 886 HA PRO A 61 -8.339 -5.541 4.872 1.00 0.64 H ATOM 887 HB2 PRO A 61 -8.546 -7.326 6.958 1.00 0.85 H ATOM 888 HB3 PRO A 61 -9.901 -6.372 6.330 1.00 0.89 H ATOM 889 HG2 PRO A 61 -9.291 -9.269 5.924 1.00 0.97 H ATOM 890 HG3 PRO A 61 -10.858 -8.442 5.935 1.00 0.98 H ATOM 891 HD2 PRO A 61 -9.483 -9.266 3.631 1.00 0.78 H ATOM 892 HD3 PRO A 61 -10.800 -8.076 3.667 1.00 0.76 H ATOM 893 N ASN A 62 -5.898 -6.294 4.565 1.00 0.52 N ATOM 894 CA ASN A 62 -4.456 -6.617 4.708 1.00 0.48 C ATOM 895 C ASN A 62 -3.708 -5.336 5.074 1.00 0.47 C ATOM 896 O ASN A 62 -3.495 -4.479 4.241 1.00 0.47 O ATOM 897 CB ASN A 62 -3.909 -7.154 3.383 1.00 0.44 C ATOM 898 CG ASN A 62 -4.503 -6.372 2.209 1.00 0.66 C ATOM 899 OD1 ASN A 62 -5.265 -5.446 2.398 1.00 1.02 O ATOM 900 ND2 ASN A 62 -4.174 -6.709 0.991 1.00 0.64 N ATOM 901 H ASN A 62 -6.163 -5.506 4.052 1.00 0.53 H ATOM 902 HA ASN A 62 -4.321 -7.354 5.486 1.00 0.52 H ATOM 903 HB2 ASN A 62 -2.840 -7.041 3.377 1.00 0.54 H ATOM 904 HB3 ASN A 62 -4.160 -8.198 3.282 1.00 0.51 H ATOM 905 HD21 ASN A 62 -3.554 -7.456 0.840 1.00 0.50 H ATOM 906 HD22 ASN A 62 -4.546 -6.215 0.228 1.00 0.88 H ATOM 907 N VAL A 63 -3.310 -5.189 6.308 1.00 0.52 N ATOM 908 CA VAL A 63 -2.585 -3.957 6.704 1.00 0.56 C ATOM 909 C VAL A 63 -1.243 -3.917 5.983 1.00 0.50 C ATOM 910 O VAL A 63 -1.034 -3.142 5.072 1.00 0.51 O ATOM 911 CB VAL A 63 -2.362 -3.952 8.219 1.00 0.65 C ATOM 912 CG1 VAL A 63 -2.306 -2.510 8.708 1.00 0.90 C ATOM 913 CG2 VAL A 63 -3.519 -4.672 8.918 1.00 0.78 C ATOM 914 H VAL A 63 -3.484 -5.884 6.970 1.00 0.57 H ATOM 915 HA VAL A 63 -3.166 -3.094 6.426 1.00 0.60 H ATOM 916 HB VAL A 63 -1.432 -4.448 8.451 1.00 0.69 H ATOM 917 HG11 VAL A 63 -3.076 -1.939 8.214 1.00 1.32 H ATOM 918 HG12 VAL A 63 -2.465 -2.486 9.774 1.00 1.56 H ATOM 919 HG13 VAL A 63 -1.339 -2.090 8.476 1.00 1.34 H ATOM 920 HG21 VAL A 63 -4.348 -4.771 8.233 1.00 1.37 H ATOM 921 HG22 VAL A 63 -3.194 -5.653 9.234 1.00 1.27 H ATOM 922 HG23 VAL A 63 -3.830 -4.101 9.780 1.00 1.26 H ATOM 923 N ASN A 64 -0.329 -4.743 6.390 1.00 0.49 N ATOM 924 CA ASN A 64 0.999 -4.765 5.753 1.00 0.49 C ATOM 925 C ASN A 64 1.619 -6.149 5.938 1.00 0.52 C ATOM 926 O ASN A 64 1.934 -6.838 4.988 1.00 0.57 O ATOM 927 CB ASN A 64 1.859 -3.728 6.438 1.00 0.53 C ATOM 928 CG ASN A 64 2.334 -2.686 5.427 1.00 0.57 C ATOM 929 OD1 ASN A 64 2.298 -1.502 5.693 1.00 1.22 O ATOM 930 ND2 ASN A 64 2.782 -3.083 4.271 1.00 1.10 N ATOM 931 H ASN A 64 -0.509 -5.348 7.130 1.00 0.52 H ATOM 932 HA ASN A 64 0.914 -4.532 4.709 1.00 0.50 H ATOM 933 HB2 ASN A 64 1.277 -3.242 7.201 1.00 0.55 H ATOM 934 HB3 ASN A 64 2.690 -4.217 6.883 1.00 0.56 H ATOM 935 HD21 ASN A 64 2.808 -4.041 4.061 1.00 1.81 H ATOM 936 HD22 ASN A 64 3.096 -2.424 3.613 1.00 1.11 H ATOM 937 N VAL A 65 1.791 -6.557 7.163 1.00 0.53 N ATOM 938 CA VAL A 65 2.383 -7.893 7.439 1.00 0.60 C ATOM 939 C VAL A 65 2.015 -8.307 8.864 1.00 0.62 C ATOM 940 O VAL A 65 1.066 -9.032 9.087 1.00 0.74 O ATOM 941 CB VAL A 65 3.902 -7.812 7.308 1.00 0.61 C ATOM 942 CG1 VAL A 65 4.529 -9.114 7.811 1.00 0.71 C ATOM 943 CG2 VAL A 65 4.273 -7.601 5.839 1.00 0.70 C ATOM 944 H VAL A 65 1.524 -5.980 7.908 1.00 0.51 H ATOM 945 HA VAL A 65 1.994 -8.616 6.738 1.00 0.69 H ATOM 946 HB VAL A 65 4.266 -6.982 7.896 1.00 0.55 H ATOM 947 HG11 VAL A 65 4.035 -9.954 7.346 1.00 1.30 H ATOM 948 HG12 VAL A 65 5.580 -9.129 7.560 1.00 1.30 H ATOM 949 HG13 VAL A 65 4.415 -9.178 8.883 1.00 1.13 H ATOM 950 HG21 VAL A 65 3.594 -8.160 5.213 1.00 1.31 H ATOM 951 HG22 VAL A 65 4.203 -6.551 5.597 1.00 1.10 H ATOM 952 HG23 VAL A 65 5.284 -7.943 5.669 1.00 1.28 H ATOM 953 N SER A 66 2.754 -7.838 9.832 1.00 0.58 N ATOM 954 CA SER A 66 2.447 -8.183 11.241 1.00 0.67 C ATOM 955 C SER A 66 2.639 -6.928 12.101 1.00 0.64 C ATOM 956 O SER A 66 2.013 -5.913 11.869 1.00 0.64 O ATOM 957 CB SER A 66 3.386 -9.300 11.703 1.00 0.76 C ATOM 958 OG SER A 66 3.157 -10.461 10.915 1.00 1.56 O ATOM 959 H SER A 66 3.509 -7.247 9.634 1.00 0.55 H ATOM 960 HA SER A 66 1.422 -8.517 11.315 1.00 0.75 H ATOM 961 HB2 SER A 66 4.409 -8.986 11.582 1.00 1.11 H ATOM 962 HB3 SER A 66 3.199 -9.517 12.746 1.00 1.20 H ATOM 963 HG SER A 66 2.471 -10.979 11.342 1.00 1.93 H ATOM 964 N ASP A 67 3.499 -6.974 13.081 1.00 0.69 N ATOM 965 CA ASP A 67 3.720 -5.772 13.930 1.00 0.75 C ATOM 966 C ASP A 67 4.843 -4.922 13.333 1.00 0.70 C ATOM 967 O ASP A 67 4.608 -3.969 12.612 1.00 0.69 O ATOM 968 CB ASP A 67 4.108 -6.212 15.344 1.00 0.87 C ATOM 969 CG ASP A 67 2.898 -6.849 16.028 1.00 1.63 C ATOM 970 OD1 ASP A 67 1.794 -6.637 15.554 1.00 2.19 O ATOM 971 OD2 ASP A 67 3.095 -7.539 17.015 1.00 2.37 O ATOM 972 H ASP A 67 4.008 -7.788 13.252 1.00 0.72 H ATOM 973 HA ASP A 67 2.812 -5.190 13.972 1.00 0.79 H ATOM 974 HB2 ASP A 67 4.913 -6.931 15.289 1.00 1.25 H ATOM 975 HB3 ASP A 67 4.430 -5.352 15.913 1.00 1.22 H ATOM 976 N ALA A 68 6.065 -5.265 13.635 1.00 0.75 N ATOM 977 CA ALA A 68 7.218 -4.487 13.102 1.00 0.78 C ATOM 978 C ALA A 68 7.354 -4.726 11.599 1.00 0.67 C ATOM 979 O ALA A 68 7.468 -3.799 10.825 1.00 0.73 O ATOM 980 CB ALA A 68 8.501 -4.933 13.806 1.00 0.95 C ATOM 981 H ALA A 68 6.222 -6.037 14.218 1.00 0.80 H ATOM 982 HA ALA A 68 7.056 -3.435 13.285 1.00 0.83 H ATOM 983 HB1 ALA A 68 8.253 -5.610 14.611 1.00 1.31 H ATOM 984 HB2 ALA A 68 9.143 -5.435 13.098 1.00 1.38 H ATOM 985 HB3 ALA A 68 9.011 -4.069 14.205 1.00 1.52 H ATOM 986 N ASP A 69 7.346 -5.960 11.177 1.00 0.66 N ATOM 987 CA ASP A 69 7.476 -6.242 9.722 1.00 0.65 C ATOM 988 C ASP A 69 6.519 -5.337 8.948 1.00 0.54 C ATOM 989 O ASP A 69 6.887 -4.708 7.973 1.00 0.65 O ATOM 990 CB ASP A 69 7.123 -7.706 9.454 1.00 0.73 C ATOM 991 CG ASP A 69 8.404 -8.541 9.406 1.00 0.93 C ATOM 992 OD1 ASP A 69 9.400 -8.033 8.918 1.00 1.52 O ATOM 993 OD2 ASP A 69 8.367 -9.673 9.859 1.00 1.46 O ATOM 994 H ASP A 69 7.252 -6.698 11.814 1.00 0.75 H ATOM 995 HA ASP A 69 8.491 -6.051 9.406 1.00 0.76 H ATOM 996 HB2 ASP A 69 6.482 -8.072 10.244 1.00 0.76 H ATOM 997 HB3 ASP A 69 6.609 -7.785 8.509 1.00 0.74 H ATOM 998 N ALA A 70 5.290 -5.264 9.377 1.00 0.48 N ATOM 999 CA ALA A 70 4.307 -4.401 8.668 1.00 0.53 C ATOM 1000 C ALA A 70 4.754 -2.942 8.756 1.00 0.48 C ATOM 1001 O ALA A 70 4.898 -2.264 7.755 1.00 0.52 O ATOM 1002 CB ALA A 70 2.930 -4.556 9.314 1.00 0.69 C ATOM 1003 H ALA A 70 5.014 -5.777 10.165 1.00 0.51 H ATOM 1004 HA ALA A 70 4.257 -4.699 7.633 1.00 0.62 H ATOM 1005 HB1 ALA A 70 2.659 -5.601 9.340 1.00 1.13 H ATOM 1006 HB2 ALA A 70 2.959 -4.166 10.321 1.00 1.40 H ATOM 1007 HB3 ALA A 70 2.198 -4.008 8.738 1.00 1.22 H ATOM 1008 N LYS A 71 4.982 -2.450 9.944 1.00 0.57 N ATOM 1009 CA LYS A 71 5.427 -1.038 10.084 1.00 0.62 C ATOM 1010 C LYS A 71 6.613 -0.800 9.151 1.00 0.60 C ATOM 1011 O LYS A 71 6.728 0.233 8.519 1.00 0.62 O ATOM 1012 CB LYS A 71 5.855 -0.785 11.529 1.00 0.75 C ATOM 1013 CG LYS A 71 5.675 0.697 11.866 1.00 0.85 C ATOM 1014 CD LYS A 71 5.370 0.851 13.358 1.00 1.48 C ATOM 1015 CE LYS A 71 5.305 2.338 13.714 1.00 2.08 C ATOM 1016 NZ LYS A 71 5.654 2.522 15.151 1.00 2.77 N ATOM 1017 H LYS A 71 4.868 -3.012 10.742 1.00 0.71 H ATOM 1018 HA LYS A 71 4.617 -0.373 9.822 1.00 0.63 H ATOM 1019 HB2 LYS A 71 5.249 -1.384 12.191 1.00 0.79 H ATOM 1020 HB3 LYS A 71 6.892 -1.057 11.648 1.00 0.79 H ATOM 1021 HG2 LYS A 71 6.583 1.232 11.626 1.00 1.23 H ATOM 1022 HG3 LYS A 71 4.856 1.101 11.290 1.00 1.33 H ATOM 1023 HD2 LYS A 71 4.421 0.385 13.581 1.00 1.94 H ATOM 1024 HD3 LYS A 71 6.150 0.378 13.936 1.00 2.05 H ATOM 1025 HE2 LYS A 71 6.006 2.886 13.101 1.00 2.60 H ATOM 1026 HE3 LYS A 71 4.306 2.707 13.536 1.00 2.38 H ATOM 1027 HZ1 LYS A 71 5.765 1.593 15.604 1.00 3.14 H ATOM 1028 HZ2 LYS A 71 6.546 3.053 15.226 1.00 3.15 H ATOM 1029 HZ3 LYS A 71 4.896 3.050 15.628 1.00 3.17 H ATOM 1030 N ALA A 72 7.493 -1.757 9.060 1.00 0.63 N ATOM 1031 CA ALA A 72 8.675 -1.605 8.168 1.00 0.69 C ATOM 1032 C ALA A 72 8.202 -1.451 6.723 1.00 0.63 C ATOM 1033 O ALA A 72 8.695 -0.621 5.985 1.00 0.75 O ATOM 1034 CB ALA A 72 9.565 -2.844 8.285 1.00 0.78 C ATOM 1035 H ALA A 72 7.373 -2.579 9.577 1.00 0.66 H ATOM 1036 HA ALA A 72 9.236 -0.730 8.459 1.00 0.76 H ATOM 1037 HB1 ALA A 72 8.949 -3.715 8.450 1.00 1.28 H ATOM 1038 HB2 ALA A 72 10.129 -2.970 7.373 1.00 1.27 H ATOM 1039 HB3 ALA A 72 10.246 -2.721 9.115 1.00 1.19 H ATOM 1040 N LEU A 73 7.245 -2.240 6.309 1.00 0.56 N ATOM 1041 CA LEU A 73 6.746 -2.124 4.910 1.00 0.53 C ATOM 1042 C LEU A 73 6.184 -0.717 4.693 1.00 0.52 C ATOM 1043 O LEU A 73 6.637 0.017 3.835 1.00 0.53 O ATOM 1044 CB LEU A 73 5.646 -3.158 4.667 1.00 0.59 C ATOM 1045 CG LEU A 73 6.263 -4.430 4.083 1.00 0.70 C ATOM 1046 CD1 LEU A 73 5.155 -5.432 3.756 1.00 1.05 C ATOM 1047 CD2 LEU A 73 7.028 -4.083 2.804 1.00 0.84 C ATOM 1048 H LEU A 73 6.855 -2.904 6.918 1.00 0.62 H ATOM 1049 HA LEU A 73 7.561 -2.295 4.222 1.00 0.57 H ATOM 1050 HB2 LEU A 73 5.156 -3.390 5.602 1.00 0.65 H ATOM 1051 HB3 LEU A 73 4.926 -2.759 3.970 1.00 0.63 H ATOM 1052 HG LEU A 73 6.941 -4.865 4.804 1.00 0.77 H ATOM 1053 HD11 LEU A 73 4.269 -5.184 4.321 1.00 1.48 H ATOM 1054 HD12 LEU A 73 4.933 -5.390 2.700 1.00 1.54 H ATOM 1055 HD13 LEU A 73 5.482 -6.428 4.017 1.00 1.59 H ATOM 1056 HD21 LEU A 73 6.524 -3.277 2.291 1.00 1.39 H ATOM 1057 HD22 LEU A 73 8.033 -3.777 3.056 1.00 1.24 H ATOM 1058 HD23 LEU A 73 7.067 -4.950 2.161 1.00 1.42 H ATOM 1059 N ALA A 74 5.209 -0.328 5.472 1.00 0.57 N ATOM 1060 CA ALA A 74 4.638 1.039 5.309 1.00 0.64 C ATOM 1061 C ALA A 74 5.793 2.032 5.179 1.00 0.63 C ATOM 1062 O ALA A 74 5.816 2.873 4.297 1.00 0.76 O ATOM 1063 CB ALA A 74 3.789 1.391 6.534 1.00 0.73 C ATOM 1064 H ALA A 74 4.862 -0.929 6.166 1.00 0.61 H ATOM 1065 HA ALA A 74 4.026 1.074 4.419 1.00 0.70 H ATOM 1066 HB1 ALA A 74 4.208 0.919 7.410 1.00 1.15 H ATOM 1067 HB2 ALA A 74 3.781 2.462 6.671 1.00 1.32 H ATOM 1068 HB3 ALA A 74 2.779 1.039 6.385 1.00 1.28 H ATOM 1069 N ASP A 75 6.766 1.925 6.043 1.00 0.59 N ATOM 1070 CA ASP A 75 7.934 2.842 5.961 1.00 0.65 C ATOM 1071 C ASP A 75 8.590 2.652 4.597 1.00 0.63 C ATOM 1072 O ASP A 75 8.900 3.600 3.902 1.00 0.70 O ATOM 1073 CB ASP A 75 8.937 2.486 7.058 1.00 0.72 C ATOM 1074 CG ASP A 75 9.137 3.689 7.981 1.00 0.87 C ATOM 1075 OD1 ASP A 75 9.204 4.796 7.473 1.00 1.39 O ATOM 1076 OD2 ASP A 75 9.220 3.483 9.181 1.00 1.45 O ATOM 1077 H ASP A 75 6.735 1.230 6.735 1.00 0.60 H ATOM 1078 HA ASP A 75 7.609 3.865 6.075 1.00 0.74 H ATOM 1079 HB2 ASP A 75 8.563 1.647 7.626 1.00 0.70 H ATOM 1080 HB3 ASP A 75 9.882 2.220 6.607 1.00 0.73 H ATOM 1081 N TRP A 76 8.790 1.423 4.206 1.00 0.58 N ATOM 1082 CA TRP A 76 9.410 1.151 2.883 1.00 0.60 C ATOM 1083 C TRP A 76 8.653 1.947 1.819 1.00 0.61 C ATOM 1084 O TRP A 76 9.214 2.372 0.833 1.00 0.70 O ATOM 1085 CB TRP A 76 9.324 -0.351 2.578 1.00 0.63 C ATOM 1086 CG TRP A 76 9.530 -0.588 1.114 1.00 0.66 C ATOM 1087 CD1 TRP A 76 10.685 -0.371 0.445 1.00 0.79 C ATOM 1088 CD2 TRP A 76 8.574 -1.082 0.133 1.00 0.62 C ATOM 1089 NE1 TRP A 76 10.498 -0.702 -0.886 1.00 0.80 N ATOM 1090 CE2 TRP A 76 9.213 -1.145 -1.127 1.00 0.69 C ATOM 1091 CE3 TRP A 76 7.227 -1.479 0.215 1.00 0.58 C ATOM 1092 CZ2 TRP A 76 8.539 -1.584 -2.267 1.00 0.68 C ATOM 1093 CZ3 TRP A 76 6.545 -1.922 -0.930 1.00 0.62 C ATOM 1094 CH2 TRP A 76 7.200 -1.974 -2.168 1.00 0.64 C ATOM 1095 H TRP A 76 8.520 0.678 4.783 1.00 0.58 H ATOM 1096 HA TRP A 76 10.446 1.460 2.897 1.00 0.63 H ATOM 1097 HB2 TRP A 76 10.087 -0.874 3.136 1.00 0.66 H ATOM 1098 HB3 TRP A 76 8.352 -0.720 2.869 1.00 0.63 H ATOM 1099 HD1 TRP A 76 11.602 -0.002 0.879 1.00 0.89 H ATOM 1100 HE1 TRP A 76 11.181 -0.636 -1.585 1.00 0.90 H ATOM 1101 HE3 TRP A 76 6.714 -1.442 1.165 1.00 0.59 H ATOM 1102 HZ2 TRP A 76 9.047 -1.622 -3.219 1.00 0.75 H ATOM 1103 HZ3 TRP A 76 5.511 -2.223 -0.855 1.00 0.67 H ATOM 1104 HH2 TRP A 76 6.671 -2.316 -3.046 1.00 0.68 H ATOM 1105 N ILE A 77 7.381 2.157 2.022 1.00 0.60 N ATOM 1106 CA ILE A 77 6.586 2.938 1.032 1.00 0.66 C ATOM 1107 C ILE A 77 6.992 4.410 1.130 1.00 0.76 C ATOM 1108 O ILE A 77 7.459 5.013 0.171 1.00 0.90 O ATOM 1109 CB ILE A 77 5.097 2.793 1.350 1.00 0.66 C ATOM 1110 CG1 ILE A 77 4.797 1.338 1.721 1.00 0.65 C ATOM 1111 CG2 ILE A 77 4.271 3.187 0.125 1.00 0.74 C ATOM 1112 CD1 ILE A 77 3.283 1.133 1.796 1.00 0.76 C ATOM 1113 H ILE A 77 6.951 1.809 2.832 1.00 0.62 H ATOM 1114 HA ILE A 77 6.785 2.571 0.037 1.00 0.68 H ATOM 1115 HB ILE A 77 4.842 3.438 2.178 1.00 0.71 H ATOM 1116 HG12 ILE A 77 5.214 0.681 0.972 1.00 0.68 H ATOM 1117 HG13 ILE A 77 5.235 1.112 2.681 1.00 0.64 H ATOM 1118 HG21 ILE A 77 4.675 4.090 -0.308 1.00 1.10 H ATOM 1119 HG22 ILE A 77 4.306 2.391 -0.604 1.00 1.35 H ATOM 1120 HG23 ILE A 77 3.246 3.357 0.422 1.00 1.36 H ATOM 1121 HD11 ILE A 77 2.783 2.081 1.659 1.00 1.20 H ATOM 1122 HD12 ILE A 77 2.973 0.447 1.021 1.00 1.29 H ATOM 1123 HD13 ILE A 77 3.023 0.726 2.762 1.00 1.31 H ATOM 1124 N LEU A 78 6.835 4.991 2.292 1.00 0.80 N ATOM 1125 CA LEU A 78 7.232 6.415 2.460 1.00 0.97 C ATOM 1126 C LEU A 78 8.610 6.593 1.832 1.00 0.99 C ATOM 1127 O LEU A 78 8.942 7.637 1.307 1.00 1.21 O ATOM 1128 CB LEU A 78 7.294 6.762 3.949 1.00 1.08 C ATOM 1129 CG LEU A 78 6.003 7.469 4.364 1.00 1.38 C ATOM 1130 CD1 LEU A 78 5.578 6.983 5.751 1.00 1.75 C ATOM 1131 CD2 LEU A 78 6.242 8.980 4.406 1.00 2.08 C ATOM 1132 H LEU A 78 6.472 4.484 3.053 1.00 0.81 H ATOM 1133 HA LEU A 78 6.519 7.055 1.962 1.00 1.06 H ATOM 1134 HB2 LEU A 78 7.411 5.855 4.524 1.00 1.05 H ATOM 1135 HB3 LEU A 78 8.134 7.415 4.130 1.00 1.18 H ATOM 1136 HG LEU A 78 5.224 7.245 3.650 1.00 1.96 H ATOM 1137 HD11 LEU A 78 6.456 6.798 6.352 1.00 2.27 H ATOM 1138 HD12 LEU A 78 4.968 7.738 6.226 1.00 2.11 H ATOM 1139 HD13 LEU A 78 5.009 6.070 5.654 1.00 2.21 H ATOM 1140 HD21 LEU A 78 7.302 9.178 4.340 1.00 2.61 H ATOM 1141 HD22 LEU A 78 5.735 9.448 3.576 1.00 2.50 H ATOM 1142 HD23 LEU A 78 5.859 9.379 5.334 1.00 2.52 H ATOM 1143 N THR A 79 9.405 5.559 1.866 1.00 0.89 N ATOM 1144 CA THR A 79 10.756 5.631 1.256 1.00 1.04 C ATOM 1145 C THR A 79 10.637 5.259 -0.222 1.00 0.94 C ATOM 1146 O THR A 79 11.381 5.734 -1.057 1.00 1.16 O ATOM 1147 CB THR A 79 11.691 4.647 1.964 1.00 1.30 C ATOM 1148 OG1 THR A 79 11.256 4.468 3.305 1.00 1.82 O ATOM 1149 CG2 THR A 79 13.117 5.198 1.959 1.00 2.03 C ATOM 1150 H THR A 79 9.102 4.725 2.282 1.00 0.80 H ATOM 1151 HA THR A 79 11.145 6.635 1.348 1.00 1.18 H ATOM 1152 HB THR A 79 11.673 3.699 1.450 1.00 1.48 H ATOM 1153 HG1 THR A 79 11.649 5.164 3.838 1.00 2.13 H ATOM 1154 HG21 THR A 79 13.086 6.277 1.987 1.00 2.44 H ATOM 1155 HG22 THR A 79 13.647 4.831 2.826 1.00 2.43 H ATOM 1156 HG23 THR A 79 13.625 4.874 1.063 1.00 2.54 H ATOM 1157 N LEU A 80 9.690 4.417 -0.553 1.00 0.78 N ATOM 1158 CA LEU A 80 9.508 4.023 -1.976 1.00 0.81 C ATOM 1159 C LEU A 80 9.507 5.285 -2.827 1.00 1.00 C ATOM 1160 O LEU A 80 10.037 5.309 -3.920 1.00 1.44 O ATOM 1161 CB LEU A 80 8.165 3.308 -2.153 1.00 0.74 C ATOM 1162 CG LEU A 80 8.363 1.789 -2.155 1.00 0.70 C ATOM 1163 CD1 LEU A 80 7.051 1.110 -2.555 1.00 0.74 C ATOM 1164 CD2 LEU A 80 9.453 1.409 -3.161 1.00 0.79 C ATOM 1165 H LEU A 80 9.095 4.054 0.135 1.00 0.80 H ATOM 1166 HA LEU A 80 10.313 3.376 -2.282 1.00 0.96 H ATOM 1167 HB2 LEU A 80 7.504 3.581 -1.346 1.00 0.75 H ATOM 1168 HB3 LEU A 80 7.724 3.609 -3.091 1.00 0.84 H ATOM 1169 HG LEU A 80 8.651 1.463 -1.166 1.00 0.77 H ATOM 1170 HD11 LEU A 80 6.258 1.843 -2.579 1.00 1.26 H ATOM 1171 HD12 LEU A 80 7.159 0.667 -3.535 1.00 1.24 H ATOM 1172 HD13 LEU A 80 6.809 0.341 -1.837 1.00 1.28 H ATOM 1173 HD21 LEU A 80 9.731 2.279 -3.737 1.00 1.25 H ATOM 1174 HD22 LEU A 80 10.318 1.037 -2.631 1.00 1.29 H ATOM 1175 HD23 LEU A 80 9.080 0.643 -3.823 1.00 1.39 H ATOM 1176 N LYS A 81 8.906 6.335 -2.327 1.00 0.90 N ATOM 1177 CA LYS A 81 8.859 7.612 -3.098 1.00 1.18 C ATOM 1178 C LYS A 81 10.187 7.830 -3.829 1.00 1.92 C ATOM 1179 O LYS A 81 11.219 7.587 -3.225 1.00 2.53 O ATOM 1180 CB LYS A 81 8.622 8.775 -2.137 1.00 1.36 C ATOM 1181 CG LYS A 81 7.326 9.492 -2.513 1.00 1.95 C ATOM 1182 CD LYS A 81 6.745 10.160 -1.268 1.00 2.61 C ATOM 1183 CE LYS A 81 7.105 11.648 -1.275 1.00 3.74 C ATOM 1184 NZ LYS A 81 7.148 12.160 0.124 1.00 4.53 N ATOM 1185 OXT LYS A 81 10.147 8.234 -4.979 1.00 2.54 O ATOM 1186 H LYS A 81 8.478 6.280 -1.437 1.00 0.85 H ATOM 1187 HA LYS A 81 8.054 7.569 -3.817 1.00 1.77 H ATOM 1188 HB2 LYS A 81 8.546 8.397 -1.128 1.00 1.86 H ATOM 1189 HB3 LYS A 81 9.447 9.468 -2.201 1.00 1.91 H ATOM 1190 HG2 LYS A 81 7.533 10.242 -3.264 1.00 2.44 H ATOM 1191 HG3 LYS A 81 6.616 8.778 -2.901 1.00 2.45 H ATOM 1192 HD2 LYS A 81 5.671 10.046 -1.267 1.00 2.85 H ATOM 1193 HD3 LYS A 81 7.160 9.694 -0.387 1.00 2.80 H ATOM 1194 HE2 LYS A 81 8.073 11.781 -1.737 1.00 4.14 H ATOM 1195 HE3 LYS A 81 6.362 12.195 -1.836 1.00 4.08 H ATOM 1196 HZ1 LYS A 81 7.727 11.524 0.708 1.00 4.98 H ATOM 1197 HZ2 LYS A 81 7.563 13.114 0.132 1.00 4.91 H ATOM 1198 HZ3 LYS A 81 6.182 12.203 0.507 1.00 4.67 H TER 1199 LYS A 81 HETATM 1200 FE HEC A 82 -3.757 -3.239 -1.745 1.00 0.26 FE HETATM 1201 CHA HEC A 82 -5.771 -0.704 -2.740 1.00 0.33 C HETATM 1202 CHB HEC A 82 -2.287 -1.193 0.523 1.00 0.37 C HETATM 1203 CHC HEC A 82 -1.736 -5.766 -0.764 1.00 0.28 C HETATM 1204 CHD HEC A 82 -5.178 -5.278 -4.044 1.00 0.25 C HETATM 1205 NA HEC A 82 -3.986 -1.338 -1.215 1.00 0.32 N HETATM 1206 C1A HEC A 82 -4.872 -0.428 -1.730 1.00 0.35 C HETATM 1207 C2A HEC A 82 -4.737 0.798 -1.105 1.00 0.41 C HETATM 1208 C3A HEC A 82 -3.738 0.663 -0.177 1.00 0.42 C HETATM 1209 C4A HEC A 82 -3.292 -0.647 -0.255 1.00 0.37 C HETATM 1210 CMA HEC A 82 -3.224 1.748 0.758 1.00 0.49 C HETATM 1211 CAA HEC A 82 -5.540 2.059 -1.396 1.00 0.46 C HETATM 1212 CBA HEC A 82 -6.094 2.619 -0.082 1.00 0.83 C HETATM 1213 CGA HEC A 82 -6.912 3.880 -0.366 1.00 0.85 C HETATM 1214 O1A HEC A 82 -6.393 4.843 -0.895 1.00 1.41 O HETATM 1215 O2A HEC A 82 -8.088 3.930 -0.063 1.00 1.02 O HETATM 1216 NB HEC A 82 -2.310 -3.442 -0.396 1.00 0.29 N HETATM 1217 C1B HEC A 82 -1.823 -2.494 0.463 1.00 0.34 C HETATM 1218 C2B HEC A 82 -0.808 -3.022 1.252 1.00 0.37 C HETATM 1219 C3B HEC A 82 -0.657 -4.332 0.871 1.00 0.34 C HETATM 1220 C4B HEC A 82 -1.577 -4.564 -0.125 1.00 0.29 C HETATM 1221 CMB HEC A 82 -0.015 -2.290 2.326 1.00 0.43 C HETATM 1222 CAB HEC A 82 0.328 -5.357 1.429 1.00 0.37 C HETATM 1223 CBB HEC A 82 -0.060 -5.674 2.874 1.00 0.44 C HETATM 1224 NC HEC A 82 -3.520 -5.135 -2.278 1.00 0.24 N HETATM 1225 C1C HEC A 82 -2.630 -6.040 -1.768 1.00 0.26 C HETATM 1226 C2C HEC A 82 -2.737 -7.252 -2.414 1.00 0.28 C HETATM 1227 C3C HEC A 82 -3.717 -7.111 -3.354 1.00 0.27 C HETATM 1228 C4C HEC A 82 -4.187 -5.818 -3.255 1.00 0.25 C HETATM 1229 CMC HEC A 82 -1.913 -8.503 -2.142 1.00 0.32 C HETATM 1230 CAC HEC A 82 -4.181 -8.173 -4.328 1.00 0.32 C HETATM 1231 CBC HEC A 82 -4.759 -9.366 -3.568 1.00 0.38 C HETATM 1232 ND HEC A 82 -5.187 -3.034 -3.110 1.00 0.26 N HETATM 1233 C1D HEC A 82 -5.651 -3.983 -3.983 1.00 0.25 C HETATM 1234 C2D HEC A 82 -6.651 -3.464 -4.786 1.00 0.28 C HETATM 1235 C3D HEC A 82 -6.821 -2.156 -4.411 1.00 0.30 C HETATM 1236 C4D HEC A 82 -5.921 -1.912 -3.390 1.00 0.29 C HETATM 1237 CMD HEC A 82 -7.416 -4.201 -5.878 1.00 0.31 C HETATM 1238 CAD HEC A 82 -7.809 -1.163 -5.010 1.00 0.34 C HETATM 1239 CBD HEC A 82 -9.141 -1.243 -4.262 1.00 0.37 C HETATM 1240 CGD HEC A 82 -10.131 -0.256 -4.885 1.00 0.39 C HETATM 1241 O1D HEC A 82 -10.447 -0.357 -6.054 1.00 0.71 O HETATM 1242 O2D HEC A 82 -10.610 0.640 -4.219 1.00 0.88 O HETATM 1243 HHA HEC A 82 -6.431 0.111 -3.050 1.00 0.36 H HETATM 1244 HHB HEC A 82 -1.815 -0.535 1.253 1.00 0.41 H HETATM 1245 HHC HEC A 82 -1.100 -6.587 -0.434 1.00 0.30 H HETATM 1246 HHD HEC A 82 -5.634 -5.939 -4.782 1.00 0.28 H HETATM 1247 HMA1 HEC A 82 -2.302 1.423 1.216 1.00 1.15 H HETATM 1248 HMA2 HEC A 82 -3.959 1.940 1.526 1.00 1.10 H HETATM 1249 HMA3 HEC A 82 -3.047 2.653 0.196 1.00 1.14 H HETATM 1250 HAA1 HEC A 82 -6.358 1.821 -2.059 1.00 0.59 H HETATM 1251 HAA2 HEC A 82 -4.901 2.795 -1.861 1.00 0.78 H HETATM 1252 HBA1 HEC A 82 -5.275 2.865 0.578 1.00 1.18 H HETATM 1253 HBA2 HEC A 82 -6.724 1.879 0.387 1.00 1.06 H HETATM 1254 HMB1 HEC A 82 1.012 -2.187 2.009 1.00 1.06 H HETATM 1255 HMB2 HEC A 82 -0.052 -2.853 3.246 1.00 1.02 H HETATM 1256 HMB3 HEC A 82 -0.443 -1.311 2.486 1.00 1.14 H HETATM 1257 HAB HEC A 82 0.279 -6.257 0.839 1.00 0.35 H HETATM 1258 HBB1 HEC A 82 0.810 -6.019 3.413 1.00 1.07 H HETATM 1259 HBB2 HEC A 82 -0.818 -6.444 2.883 1.00 1.09 H HETATM 1260 HBB3 HEC A 82 -0.446 -4.783 3.348 1.00 1.12 H HETATM 1261 HMC1 HEC A 82 -0.995 -8.226 -1.649 1.00 1.10 H HETATM 1262 HMC2 HEC A 82 -1.686 -8.994 -3.077 1.00 1.10 H HETATM 1263 HMC3 HEC A 82 -2.474 -9.174 -1.509 1.00 1.00 H HETATM 1264 HAC HEC A 82 -4.945 -7.759 -4.969 1.00 0.32 H HETATM 1265 HBC1 HEC A 82 -5.776 -9.146 -3.280 1.00 1.14 H HETATM 1266 HBC2 HEC A 82 -4.166 -9.551 -2.684 1.00 1.01 H HETATM 1267 HBC3 HEC A 82 -4.744 -10.239 -4.203 1.00 1.05 H HETATM 1268 HMD1 HEC A 82 -8.062 -4.940 -5.428 1.00 1.08 H HETATM 1269 HMD2 HEC A 82 -6.716 -4.688 -6.541 1.00 1.01 H HETATM 1270 HMD3 HEC A 82 -8.011 -3.495 -6.438 1.00 1.11 H HETATM 1271 HAD1 HEC A 82 -7.968 -1.398 -6.052 1.00 0.41 H HETATM 1272 HAD2 HEC A 82 -7.409 -0.163 -4.924 1.00 0.44 H HETATM 1273 HBD1 HEC A 82 -8.987 -0.992 -3.223 1.00 0.45 H HETATM 1274 HBD2 HEC A 82 -9.537 -2.245 -4.336 1.00 0.43 H CONECT 143 1222 CONECT 182 1230 CONECT 196 1200 CONECT 854 1200 CONECT 1200 196 854 1205 1216 CONECT 1200 1224 1232 CONECT 1201 1206 1236 1243 CONECT 1202 1209 1217 1244 CONECT 1203 1220 1225 1245 CONECT 1204 1228 1233 1246 CONECT 1205 1200 1206 1209 CONECT 1206 1201 1205 1207 CONECT 1207 1206 1208 1211 CONECT 1208 1207 1209 1210 CONECT 1209 1202 1205 1208 CONECT 1210 1208 1247 1248 1249 CONECT 1211 1207 1212 1250 1251 CONECT 1212 1211 1213 1252 1253 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1200 1217 1220 CONECT 1217 1202 1216 1218 CONECT 1218 1217 1219 1221 CONECT 1219 1218 1220 1222 CONECT 1220 1203 1216 1219 CONECT 1221 1218 1254 1255 1256 CONECT 1222 143 1219 1223 1257 CONECT 1223 1222 1258 1259 1260 CONECT 1224 1200 1225 1228 CONECT 1225 1203 1224 1226 CONECT 1226 1225 1227 1229 CONECT 1227 1226 1228 1230 CONECT 1228 1204 1224 1227 CONECT 1229 1226 1261 1262 1263 CONECT 1230 182 1227 1231 1264 CONECT 1231 1230 1265 1266 1267 CONECT 1232 1200 1233 1236 CONECT 1233 1204 1232 1234 CONECT 1234 1233 1235 1237 CONECT 1235 1234 1236 1238 CONECT 1236 1201 1232 1235 CONECT 1237 1234 1268 1269 1270 CONECT 1238 1235 1239 1271 1272 CONECT 1239 1238 1240 1273 1274 CONECT 1240 1239 1241 1242 CONECT 1241 1240 CONECT 1242 1240 CONECT 1243 1201 CONECT 1244 1202 CONECT 1245 1203 CONECT 1246 1204 CONECT 1247 1210 CONECT 1248 1210 CONECT 1249 1210 CONECT 1250 1211 CONECT 1251 1211 CONECT 1252 1212 CONECT 1253 1212 CONECT 1254 1221 CONECT 1255 1221 CONECT 1256 1221 CONECT 1257 1222 CONECT 1258 1223 CONECT 1259 1223 CONECT 1260 1223 CONECT 1261 1229 CONECT 1262 1229 CONECT 1263 1229 CONECT 1264 1230 CONECT 1265 1231 CONECT 1266 1231 CONECT 1267 1231 CONECT 1268 1237 CONECT 1269 1237 CONECT 1270 1237 CONECT 1271 1238 CONECT 1272 1238 CONECT 1273 1239 CONECT 1274 1239 MASTER 91 0 1 4 0 0 5 6 1273 1 80 7 END