HEADER GLYCOPROTEIN 18-OCT-00 1E9J TITLE SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC TITLE 2 GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 TITLE 3 AND ASN78] COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHORIONIC GONADOTROPIN; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: GLYCOSYLATED AT ASN52 AND ASN78 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 OTHER_DETAILS: ISOLATED FROM URINE OF PREGNANT WOME KEYWDS GLYCOPROTEIN, CHORIONIC GONADOTROPIN, HCG, NMR, XPLOR EXPDTA NMR, 26 STRUCTURES AUTHOR P.J.A.ERBEL,Y.KARIMI-NEJAD,J.A.VANKUIK,R.BOELENS, AUTHOR 2 J.P.KAMERLING,J.F.G.VLIEGENTHART REVDAT 2 01-APR-03 1E9J 1 JRNL REVDAT 1 25-JUL-02 1E9J 0 JRNL AUTH P.J.ERBEL,Y.KARIMI-NEJAD,J.A.VAN KUIK,R.BOELENS, JRNL AUTH 2 J.P.KAMERLING,J.F.VLIEGENTHART JRNL TITL EFFECTS OF THE N-LINKED GLYCANS ON THE 3D JRNL TITL 2 STRUCTURE OF THE FREE ALPHA-SUBUNIT OF HUMAN JRNL TITL 3 CHORIONIC GONADOTROPIN. JRNL REF BIOCHEMISTRY V. 39 6012 2000 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR 3.851 REMARK 3 AUTHORS : BRUNGER NUMBER OF NON-HYDROGEN ATOMS USED IN REMARK 3 REFINEMENT. PROTEIN ATOMS : 1381 NUCLEIC ACID REMARK 3 ATOMS : 0 HETEROGEN ATOMS : 46 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1E9J COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.101 (2007-05-31) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI. REMARK 100 THE EBI ID CODE IS EBI-5454. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 328 REMARK 210 PH : 5.1 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR REMARK 210 METHOD USED : DG/SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 26 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURAL STATISTICS FOR THE FAMILY OF 27 AHCG REMARK 210 CONFORMERS EXCLUDE THE FLEXIBLE LOOP AND ENDS, SEGMENTS 1-10, REMARK 210 29-58 AND 85-92 (SEE REFERENCE) 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: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 LEU A 26 N - CA - CB ANGL. DEV. = -5.0 DEGREES REMARK 500 1 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 2 GLU A 77 N - CA - C ANGL. DEV. = -5.1 DEGREES REMARK 500 3 LEU A 26 N - CA - CB ANGL. DEV. = -5.1 DEGREES REMARK 500 4 GLU A 77 N - CA - C ANGL. DEV. = -5.4 DEGREES REMARK 500 5 GLU A 77 N - CA - C ANGL. DEV. = -5.1 DEGREES REMARK 500 6 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 7 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 8 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 9 GLU A 77 N - CA - C ANGL. DEV. = -5.4 DEGREES REMARK 500 10 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 11 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 12 GLU A 77 N - CA - C ANGL. DEV. = -5.2 DEGREES REMARK 500 14 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 15 LEU A 26 N - CA - CB ANGL. DEV. = -5.1 DEGREES REMARK 500 16 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 17 GLU A 77 N - CA - C ANGL. DEV. = -5.8 DEGREES REMARK 500 18 LEU A 26 N - CA - CB ANGL. DEV. = -5.1 DEGREES REMARK 500 18 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 19 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES REMARK 500 20 GLU A 77 N - CA - C ANGL. DEV. = -5.6 DEGREES REMARK 500 21 GLU A 77 N - CA - C ANGL. DEV. = -5.9 DEGREES REMARK 500 22 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 23 GLU A 77 N - CA - C ANGL. DEV. = -5.1 DEGREES REMARK 500 24 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 25 GLU A 77 N - CA - C ANGL. DEV. = -5.1 DEGREES REMARK 500 26 LEU A 26 CA - CB - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 26 GLU A 77 N - CA - C ANGL. DEV. = -5.6 DEGREES DBREF 1E9J A 1 92 UNP P01215 GLHA_HUMAN 25 116 SEQRES 1 A 92 ALA PRO ASP VAL GLN ASP CYS PRO GLU CYS THR LEU GLN SEQRES 2 A 92 GLU ASN PRO PHE PHE SER GLN PRO GLY ALA PRO ILE LEU SEQRES 3 A 92 GLN CYS MET GLY CYS CYS PHE SER ARG ALA TYR PRO THR SEQRES 4 A 92 PRO LEU ARG SER LYS LYS THR MET LEU VAL GLN LYS ASN SEQRES 5 A 92 VAL THR SER GLU SER THR CYS CYS VAL ALA LYS SER TYR SEQRES 6 A 92 ASN ARG VAL THR VAL MET GLY GLY PHE LYS VAL GLU ASN SEQRES 7 A 92 HIS THR ALA CYS HIS CYS SER THR CYS TYR TYR HIS LYS SEQRES 8 A 92 SER MODRES ASN A 52 ASN GLYCOSYLATION SITE MODRES ASN A 78 ASN GLYCOSYLATION SITE MODRES 1E9J ASN A 52 ASN GLYCOSYLATION SITE MODRES 1E9J ASN A 78 ASN GLYCOSYLATION SITE HET NAG A1052 23 HET NAG A1078 23 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETSYN NAG NAG FORMUL 2 NAG 2(C8 H15 N O6) HELIX 1 1 VAL A 70 PHE A 74 5 5 SSBOND 1 CYS A 7 CYS A 31 SSBOND 2 CYS A 10 CYS A 60 SSBOND 3 CYS A 28 CYS A 82 SSBOND 4 CYS A 32 CYS A 84 SSBOND 5 CYS A 59 CYS A 87 LINK ND2 ASN A 52 C1 NAG A1052 LINK ND2 ASN A 78 C1 NAG A1078 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 MODEL 1 ATOM 1 N ALA A 1 3.929 19.299 6.958 1.00 0.00 N ATOM 2 CA ALA A 1 5.028 19.015 5.999 1.00 0.00 C ATOM 3 C ALA A 1 4.945 19.930 4.781 1.00 0.00 C ATOM 4 O ALA A 1 3.882 20.463 4.462 1.00 0.00 O ATOM 5 CB ALA A 1 4.984 17.557 5.567 1.00 0.00 C ATOM 6 H2 ALA A 1 3.099 18.749 6.660 1.00 0.00 H ATOM 7 HA ALA A 1 5.969 19.187 6.500 1.00 0.00 H ATOM 8 HB1 ALA A 1 4.957 16.924 6.441 1.00 0.00 H ATOM 9 HB2 ALA A 1 4.101 17.384 4.969 1.00 0.00 H ATOM 10 HB3 ALA A 1 5.863 17.328 4.984 1.00 0.00 H ATOM 11 H1 ALA A 1 3.733 20.319 6.923 1.00 0.00 H ATOM 12 H3 ALA A 1 4.252 19.010 7.904 1.00 0.00 H ATOM 13 N PRO A 2 6.075 20.122 4.084 1.00 0.00 N ATOM 14 CA PRO A 2 6.145 20.972 2.894 1.00 0.00 C ATOM 15 C PRO A 2 5.024 20.678 1.903 1.00 0.00 C ATOM 16 O PRO A 2 4.445 21.593 1.316 1.00 0.00 O ATOM 17 CB PRO A 2 7.512 20.632 2.275 1.00 0.00 C ATOM 18 CG PRO A 2 8.039 19.469 3.055 1.00 0.00 C ATOM 19 CD PRO A 2 7.375 19.526 4.399 1.00 0.00 C ATOM 20 HA PRO A 2 6.120 22.019 3.160 1.00 0.00 H ATOM 21 HB2 PRO A 2 7.381 20.377 1.234 1.00 0.00 H ATOM 22 HB3 PRO A 2 8.166 21.487 2.358 1.00 0.00 H ATOM 23 HG2 PRO A 2 7.787 18.546 2.553 1.00 0.00 H ATOM 24 HG3 PRO A 2 9.111 19.556 3.164 1.00 0.00 H ATOM 25 HD2 PRO A 2 7.259 18.533 4.809 1.00 0.00 H ATOM 26 HD3 PRO A 2 7.935 20.155 5.074 1.00 0.00 H ATOM 27 N ASP A 3 4.721 19.396 1.721 1.00 0.00 N ATOM 28 CA ASP A 3 3.668 18.981 0.800 1.00 0.00 C ATOM 29 C ASP A 3 3.211 17.555 1.106 1.00 0.00 C ATOM 30 O ASP A 3 3.170 17.146 2.265 1.00 0.00 O ATOM 31 CB ASP A 3 4.159 19.086 -0.645 1.00 0.00 C ATOM 32 CG ASP A 3 5.254 18.087 -0.959 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.371 18.241 -0.420 1.00 0.00 O ATOM 34 OD2 ASP A 3 4.998 17.152 -1.747 1.00 0.00 O ATOM 35 H ASP A 3 5.218 18.713 2.218 1.00 0.00 H ATOM 36 HA ASP A 3 2.830 19.650 0.935 1.00 0.00 H ATOM 37 HB2 ASP A 3 3.331 18.906 -1.315 1.00 0.00 H ATOM 38 HB3 ASP A 3 4.544 20.081 -0.816 1.00 0.00 H ATOM 39 N VAL A 4 2.866 16.802 0.064 1.00 0.00 N ATOM 40 CA VAL A 4 2.411 15.426 0.239 1.00 0.00 C ATOM 41 C VAL A 4 3.219 14.460 -0.620 1.00 0.00 C ATOM 42 O VAL A 4 2.803 13.326 -0.855 1.00 0.00 O ATOM 43 CB VAL A 4 0.917 15.279 -0.109 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.073 15.293 1.156 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.477 16.378 -1.065 1.00 0.00 C ATOM 46 H VAL A 4 2.915 17.178 -0.839 1.00 0.00 H ATOM 47 HA VAL A 4 2.543 15.163 1.278 1.00 0.00 H ATOM 48 HB VAL A 4 0.774 14.326 -0.598 1.00 0.00 H ATOM 49 HG11 VAL A 4 0.527 14.655 1.899 1.00 0.00 H ATOM 50 HG12 VAL A 4 0.013 16.302 1.536 1.00 0.00 H ATOM 51 HG13 VAL A 4 -0.920 14.934 0.930 1.00 0.00 H ATOM 52 HG21 VAL A 4 1.317 16.687 -1.669 1.00 0.00 H ATOM 53 HG22 VAL A 4 -0.310 16.005 -1.704 1.00 0.00 H ATOM 54 HG23 VAL A 4 0.111 17.222 -0.499 1.00 0.00 H ATOM 55 N GLN A 5 4.378 14.915 -1.082 1.00 0.00 N ATOM 56 CA GLN A 5 5.247 14.089 -1.912 1.00 0.00 C ATOM 57 C GLN A 5 4.463 13.431 -3.042 1.00 0.00 C ATOM 58 O GLN A 5 4.881 12.409 -3.588 1.00 0.00 O ATOM 59 CB GLN A 5 5.932 13.020 -1.059 1.00 0.00 C ATOM 60 CG GLN A 5 6.360 13.519 0.312 1.00 0.00 C ATOM 61 CD GLN A 5 6.816 14.965 0.289 1.00 0.00 C ATOM 62 OE1 GLN A 5 7.127 15.513 -0.769 1.00 0.00 O ATOM 63 NE2 GLN A 5 6.859 15.592 1.459 1.00 0.00 N ATOM 64 H GLN A 5 4.656 15.827 -0.858 1.00 0.00 H ATOM 65 HA GLN A 5 6.001 14.731 -2.342 1.00 0.00 H ATOM 66 HB2 GLN A 5 5.250 12.195 -0.921 1.00 0.00 H ATOM 67 HB3 GLN A 5 6.809 12.668 -1.580 1.00 0.00 H ATOM 68 HG2 GLN A 5 5.525 13.431 0.991 1.00 0.00 H ATOM 69 HG3 GLN A 5 7.176 12.906 0.664 1.00 0.00 H ATOM 70 HE21 GLN A 5 6.599 15.094 2.261 1.00 0.00 H ATOM 71 HE22 GLN A 5 7.151 16.528 1.471 1.00 0.00 H ATOM 72 N ASP A 6 3.326 14.022 -3.389 1.00 0.00 N ATOM 73 CA ASP A 6 2.486 13.493 -4.456 1.00 0.00 C ATOM 74 C ASP A 6 1.976 12.099 -4.105 1.00 0.00 C ATOM 75 O ASP A 6 1.843 11.237 -4.973 1.00 0.00 O ATOM 76 CB ASP A 6 3.267 13.447 -5.770 1.00 0.00 C ATOM 77 CG ASP A 6 3.602 14.831 -6.291 1.00 0.00 C ATOM 78 OD1 ASP A 6 2.698 15.693 -6.309 1.00 0.00 O ATOM 79 OD2 ASP A 6 4.768 15.053 -6.680 1.00 0.00 O ATOM 80 H ASP A 6 3.045 14.834 -2.918 1.00 0.00 H ATOM 81 HA ASP A 6 1.641 14.155 -4.572 1.00 0.00 H ATOM 82 HB2 ASP A 6 4.189 12.909 -5.614 1.00 0.00 H ATOM 83 HB3 ASP A 6 2.677 12.934 -6.514 1.00 0.00 H ATOM 84 N CYS A 7 1.690 11.889 -2.826 1.00 0.00 N ATOM 85 CA CYS A 7 1.189 10.606 -2.350 1.00 0.00 C ATOM 86 C CYS A 7 0.324 10.800 -1.111 1.00 0.00 C ATOM 87 O CYS A 7 0.735 11.447 -0.149 1.00 0.00 O ATOM 88 CB CYS A 7 2.350 9.658 -2.037 1.00 0.00 C ATOM 89 SG CYS A 7 2.508 8.263 -3.200 1.00 0.00 S ATOM 90 H CYS A 7 1.816 12.618 -2.183 1.00 0.00 H ATOM 91 HA CYS A 7 0.584 10.174 -3.134 1.00 0.00 H ATOM 92 HB2 CYS A 7 3.275 10.212 -2.063 1.00 0.00 H ATOM 93 HB3 CYS A 7 2.211 9.247 -1.048 1.00 0.00 H ATOM 94 N PRO A 8 -0.894 10.244 -1.126 1.00 0.00 N ATOM 95 CA PRO A 8 -1.829 10.357 -0.007 1.00 0.00 C ATOM 96 C PRO A 8 -1.513 9.377 1.115 1.00 0.00 C ATOM 97 O PRO A 8 -0.452 8.753 1.127 1.00 0.00 O ATOM 98 CB PRO A 8 -3.169 10.018 -0.651 1.00 0.00 C ATOM 99 CG PRO A 8 -2.828 9.068 -1.747 1.00 0.00 C ATOM 100 CD PRO A 8 -1.458 9.461 -2.242 1.00 0.00 C ATOM 101 HA PRO A 8 -1.857 11.362 0.387 1.00 0.00 H ATOM 102 HB2 PRO A 8 -3.819 9.563 0.082 1.00 0.00 H ATOM 103 HB3 PRO A 8 -3.625 10.917 -1.038 1.00 0.00 H ATOM 104 HG2 PRO A 8 -2.811 8.058 -1.364 1.00 0.00 H ATOM 105 HG3 PRO A 8 -3.551 9.154 -2.544 1.00 0.00 H ATOM 106 HD2 PRO A 8 -0.861 8.581 -2.434 1.00 0.00 H ATOM 107 HD3 PRO A 8 -1.538 10.065 -3.133 1.00 0.00 H ATOM 108 N GLU A 9 -2.445 9.240 2.052 1.00 0.00 N ATOM 109 CA GLU A 9 -2.269 8.327 3.174 1.00 0.00 C ATOM 110 C GLU A 9 -2.976 7.007 2.905 1.00 0.00 C ATOM 111 O GLU A 9 -4.203 6.922 2.972 1.00 0.00 O ATOM 112 CB GLU A 9 -2.798 8.950 4.466 1.00 0.00 C ATOM 113 CG GLU A 9 -2.575 8.079 5.693 1.00 0.00 C ATOM 114 CD GLU A 9 -2.766 8.836 6.993 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.091 9.869 7.183 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.590 8.395 7.821 1.00 0.00 O ATOM 117 H GLU A 9 -3.272 9.761 1.984 1.00 0.00 H ATOM 118 HA GLU A 9 -1.212 8.138 3.282 1.00 0.00 H ATOM 119 HB2 GLU A 9 -2.301 9.895 4.625 1.00 0.00 H ATOM 120 HB3 GLU A 9 -3.858 9.123 4.361 1.00 0.00 H ATOM 121 HG2 GLU A 9 -3.275 7.258 5.668 1.00 0.00 H ATOM 122 HG3 GLU A 9 -1.567 7.692 5.664 1.00 0.00 H ATOM 123 N CYS A 10 -2.191 5.983 2.596 1.00 0.00 N ATOM 124 CA CYS A 10 -2.726 4.659 2.310 1.00 0.00 C ATOM 125 C CYS A 10 -4.034 4.422 3.055 1.00 0.00 C ATOM 126 O CYS A 10 -4.120 4.638 4.264 1.00 0.00 O ATOM 127 CB CYS A 10 -1.702 3.584 2.688 1.00 0.00 C ATOM 128 SG CYS A 10 -2.408 2.147 3.559 1.00 0.00 S ATOM 129 H CYS A 10 -1.224 6.124 2.559 1.00 0.00 H ATOM 130 HA CYS A 10 -2.916 4.602 1.249 1.00 0.00 H ATOM 131 HB2 CYS A 10 -1.226 3.220 1.790 1.00 0.00 H ATOM 132 HB3 CYS A 10 -0.954 4.024 3.331 1.00 0.00 H ATOM 133 N THR A 11 -5.048 3.972 2.325 1.00 0.00 N ATOM 134 CA THR A 11 -6.350 3.697 2.912 1.00 0.00 C ATOM 135 C THR A 11 -7.340 3.295 1.839 1.00 0.00 C ATOM 136 O THR A 11 -6.966 3.050 0.694 1.00 0.00 O ATOM 137 CB THR A 11 -6.877 4.914 3.670 1.00 0.00 C ATOM 138 OG1 THR A 11 -8.091 4.603 4.331 1.00 0.00 O ATOM 139 CG2 THR A 11 -7.137 6.109 2.779 1.00 0.00 C ATOM 140 H THR A 11 -4.916 3.815 1.364 1.00 0.00 H ATOM 141 HA THR A 11 -6.239 2.875 3.603 1.00 0.00 H ATOM 142 HB THR A 11 -6.152 5.204 4.414 1.00 0.00 H ATOM 143 HG1 THR A 11 -8.250 5.244 5.027 1.00 0.00 H ATOM 144 HG21 THR A 11 -6.322 6.221 2.081 1.00 0.00 H ATOM 145 HG22 THR A 11 -8.059 5.958 2.237 1.00 0.00 H ATOM 146 HG23 THR A 11 -7.218 6.999 3.386 1.00 0.00 H ATOM 147 N LEU A 12 -8.602 3.226 2.218 1.00 0.00 N ATOM 148 CA LEU A 12 -9.647 2.847 1.291 1.00 0.00 C ATOM 149 C LEU A 12 -10.142 4.036 0.501 1.00 0.00 C ATOM 150 O LEU A 12 -10.355 5.118 1.046 1.00 0.00 O ATOM 151 CB LEU A 12 -10.795 2.205 2.040 1.00 0.00 C ATOM 152 CG LEU A 12 -10.482 0.825 2.595 1.00 0.00 C ATOM 153 CD1 LEU A 12 -9.169 0.846 3.355 1.00 0.00 C ATOM 154 CD2 LEU A 12 -11.615 0.362 3.489 1.00 0.00 C ATOM 155 H LEU A 12 -8.837 3.431 3.148 1.00 0.00 H ATOM 156 HA LEU A 12 -9.238 2.127 0.605 1.00 0.00 H ATOM 157 HB2 LEU A 12 -11.069 2.852 2.861 1.00 0.00 H ATOM 158 HB3 LEU A 12 -11.635 2.120 1.370 1.00 0.00 H ATOM 159 HG LEU A 12 -10.381 0.125 1.773 1.00 0.00 H ATOM 160 HD11 LEU A 12 -9.157 1.690 4.028 1.00 0.00 H ATOM 161 HD12 LEU A 12 -9.068 -0.068 3.920 1.00 0.00 H ATOM 162 HD13 LEU A 12 -8.351 0.930 2.655 1.00 0.00 H ATOM 163 HD21 LEU A 12 -11.919 1.173 4.133 1.00 0.00 H ATOM 164 HD22 LEU A 12 -12.448 0.057 2.879 1.00 0.00 H ATOM 165 HD23 LEU A 12 -11.283 -0.471 4.090 1.00 0.00 H ATOM 166 N GLN A 13 -10.329 3.823 -0.789 1.00 0.00 N ATOM 167 CA GLN A 13 -10.808 4.881 -1.657 1.00 0.00 C ATOM 168 C GLN A 13 -12.196 4.583 -2.162 1.00 0.00 C ATOM 169 O GLN A 13 -12.427 4.419 -3.359 1.00 0.00 O ATOM 170 CB GLN A 13 -9.874 5.093 -2.820 1.00 0.00 C ATOM 171 CG GLN A 13 -8.533 5.669 -2.410 1.00 0.00 C ATOM 172 CD GLN A 13 -7.848 6.422 -3.532 1.00 0.00 C ATOM 173 OE1 GLN A 13 -8.261 6.348 -4.689 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.791 7.149 -3.193 1.00 0.00 N ATOM 175 H GLN A 13 -10.144 2.932 -1.159 1.00 0.00 H ATOM 176 HA GLN A 13 -10.848 5.779 -1.071 1.00 0.00 H ATOM 177 HB2 GLN A 13 -9.714 4.144 -3.303 1.00 0.00 H ATOM 178 HB3 GLN A 13 -10.345 5.773 -3.510 1.00 0.00 H ATOM 179 HG2 GLN A 13 -8.690 6.348 -1.585 1.00 0.00 H ATOM 180 HG3 GLN A 13 -7.894 4.860 -2.091 1.00 0.00 H ATOM 181 HE21 GLN A 13 -6.517 7.157 -2.251 1.00 0.00 H ATOM 182 HE22 GLN A 13 -6.327 7.649 -3.897 1.00 0.00 H ATOM 183 N GLU A 14 -13.094 4.511 -1.212 1.00 0.00 N ATOM 184 CA GLU A 14 -14.503 4.227 -1.457 1.00 0.00 C ATOM 185 C GLU A 14 -14.794 4.033 -2.931 1.00 0.00 C ATOM 186 O GLU A 14 -14.489 4.878 -3.773 1.00 0.00 O ATOM 187 CB GLU A 14 -15.400 5.327 -0.905 1.00 0.00 C ATOM 188 CG GLU A 14 -16.871 4.937 -0.872 1.00 0.00 C ATOM 189 CD GLU A 14 -17.796 6.137 -0.805 1.00 0.00 C ATOM 190 OE1 GLU A 14 -17.466 7.177 -1.412 1.00 0.00 O ATOM 191 OE2 GLU A 14 -18.854 6.035 -0.148 1.00 0.00 O ATOM 192 H GLU A 14 -12.784 4.643 -0.303 1.00 0.00 H ATOM 193 HA GLU A 14 -14.736 3.311 -0.941 1.00 0.00 H ATOM 194 HB2 GLU A 14 -15.087 5.558 0.101 1.00 0.00 H ATOM 195 HB3 GLU A 14 -15.295 6.203 -1.523 1.00 0.00 H ATOM 196 HG2 GLU A 14 -17.102 4.376 -1.765 1.00 0.00 H ATOM 197 HG3 GLU A 14 -17.048 4.316 -0.005 1.00 0.00 H ATOM 198 N ASN A 15 -15.394 2.904 -3.214 1.00 0.00 N ATOM 199 CA ASN A 15 -15.757 2.526 -4.565 1.00 0.00 C ATOM 200 C ASN A 15 -16.617 3.587 -5.240 1.00 0.00 C ATOM 201 O ASN A 15 -17.781 3.771 -4.885 1.00 0.00 O ATOM 202 CB ASN A 15 -16.503 1.208 -4.531 1.00 0.00 C ATOM 203 CG ASN A 15 -15.879 0.166 -5.425 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.867 0.413 -6.081 1.00 0.00 O ATOM 205 ND2 ASN A 15 -16.486 -1.008 -5.455 1.00 0.00 N ATOM 206 H ASN A 15 -15.602 2.299 -2.481 1.00 0.00 H ATOM 207 HA ASN A 15 -14.854 2.389 -5.125 1.00 0.00 H ATOM 208 HB2 ASN A 15 -16.494 0.836 -3.521 1.00 0.00 H ATOM 209 HB3 ASN A 15 -17.520 1.365 -4.847 1.00 0.00 H ATOM 210 HD21 ASN A 15 -17.292 -1.123 -4.910 1.00 0.00 H ATOM 211 HD22 ASN A 15 -16.097 -1.714 -6.003 1.00 0.00 H ATOM 212 N PRO A 16 -16.065 4.289 -6.241 1.00 0.00 N ATOM 213 CA PRO A 16 -16.801 5.319 -6.978 1.00 0.00 C ATOM 214 C PRO A 16 -17.831 4.710 -7.925 1.00 0.00 C ATOM 215 O PRO A 16 -18.299 5.361 -8.858 1.00 0.00 O ATOM 216 CB PRO A 16 -15.705 6.037 -7.763 1.00 0.00 C ATOM 217 CG PRO A 16 -14.654 5.002 -7.968 1.00 0.00 C ATOM 218 CD PRO A 16 -14.689 4.122 -6.745 1.00 0.00 C ATOM 219 HA PRO A 16 -17.290 6.012 -6.310 1.00 0.00 H ATOM 220 HB2 PRO A 16 -16.105 6.390 -8.703 1.00 0.00 H ATOM 221 HB3 PRO A 16 -15.331 6.870 -7.188 1.00 0.00 H ATOM 222 HG2 PRO A 16 -14.877 4.424 -8.851 1.00 0.00 H ATOM 223 HG3 PRO A 16 -13.687 5.474 -8.062 1.00 0.00 H ATOM 224 HD2 PRO A 16 -14.499 3.094 -7.014 1.00 0.00 H ATOM 225 HD3 PRO A 16 -13.968 4.462 -6.015 1.00 0.00 H ATOM 226 N PHE A 17 -18.172 3.451 -7.670 1.00 0.00 N ATOM 227 CA PHE A 17 -19.140 2.727 -8.481 1.00 0.00 C ATOM 228 C PHE A 17 -20.232 2.136 -7.603 1.00 0.00 C ATOM 229 O PHE A 17 -21.423 2.344 -7.835 1.00 0.00 O ATOM 230 CB PHE A 17 -18.444 1.597 -9.240 1.00 0.00 C ATOM 231 CG PHE A 17 -19.373 0.817 -10.123 1.00 0.00 C ATOM 232 CD1 PHE A 17 -20.204 -0.153 -9.587 1.00 0.00 C ATOM 233 CD2 PHE A 17 -19.416 1.056 -11.485 1.00 0.00 C ATOM 234 CE1 PHE A 17 -21.063 -0.872 -10.396 1.00 0.00 C ATOM 235 CE2 PHE A 17 -20.272 0.341 -12.301 1.00 0.00 C ATOM 236 CZ PHE A 17 -21.097 -0.625 -11.756 1.00 0.00 C ATOM 237 H PHE A 17 -17.760 2.993 -6.913 1.00 0.00 H ATOM 238 HA PHE A 17 -19.579 3.416 -9.186 1.00 0.00 H ATOM 239 HB2 PHE A 17 -17.662 2.011 -9.857 1.00 0.00 H ATOM 240 HB3 PHE A 17 -18.009 0.910 -8.526 1.00 0.00 H ATOM 241 HD1 PHE A 17 -20.177 -0.346 -8.523 1.00 0.00 H ATOM 242 HD2 PHE A 17 -18.771 1.810 -11.910 1.00 0.00 H ATOM 243 HE1 PHE A 17 -21.706 -1.626 -9.967 1.00 0.00 H ATOM 244 HE2 PHE A 17 -20.297 0.537 -13.362 1.00 0.00 H ATOM 245 HZ PHE A 17 -21.768 -1.185 -12.390 1.00 0.00 H ATOM 246 N PHE A 18 -19.805 1.387 -6.596 1.00 0.00 N ATOM 247 CA PHE A 18 -20.720 0.741 -5.669 1.00 0.00 C ATOM 248 C PHE A 18 -21.274 1.735 -4.654 1.00 0.00 C ATOM 249 O PHE A 18 -22.215 1.427 -3.922 1.00 0.00 O ATOM 250 CB PHE A 18 -20.000 -0.386 -4.934 1.00 0.00 C ATOM 251 CG PHE A 18 -20.795 -1.655 -4.846 1.00 0.00 C ATOM 252 CD1 PHE A 18 -22.033 -1.665 -4.229 1.00 0.00 C ATOM 253 CD2 PHE A 18 -20.307 -2.835 -5.384 1.00 0.00 C ATOM 254 CE1 PHE A 18 -22.776 -2.828 -4.152 1.00 0.00 C ATOM 255 CE2 PHE A 18 -21.044 -4.003 -5.308 1.00 0.00 C ATOM 256 CZ PHE A 18 -22.281 -3.999 -4.692 1.00 0.00 C ATOM 257 H PHE A 18 -18.841 1.259 -6.476 1.00 0.00 H ATOM 258 HA PHE A 18 -21.537 0.326 -6.238 1.00 0.00 H ATOM 259 HB2 PHE A 18 -19.075 -0.608 -5.444 1.00 0.00 H ATOM 260 HB3 PHE A 18 -19.783 -0.059 -3.931 1.00 0.00 H ATOM 261 HD1 PHE A 18 -22.416 -0.750 -3.804 1.00 0.00 H ATOM 262 HD2 PHE A 18 -19.335 -2.840 -5.860 1.00 0.00 H ATOM 263 HE1 PHE A 18 -23.742 -2.821 -3.667 1.00 0.00 H ATOM 264 HE2 PHE A 18 -20.654 -4.918 -5.731 1.00 0.00 H ATOM 265 HZ PHE A 18 -22.860 -4.909 -4.633 1.00 0.00 H ATOM 266 N SER A 19 -20.680 2.922 -4.604 1.00 0.00 N ATOM 267 CA SER A 19 -21.113 3.948 -3.668 1.00 0.00 C ATOM 268 C SER A 19 -22.559 4.347 -3.918 1.00 0.00 C ATOM 269 O SER A 19 -22.872 5.022 -4.898 1.00 0.00 O ATOM 270 CB SER A 19 -20.220 5.181 -3.765 1.00 0.00 C ATOM 271 OG SER A 19 -18.924 4.920 -3.255 1.00 0.00 O ATOM 272 H SER A 19 -19.932 3.109 -5.204 1.00 0.00 H ATOM 273 HA SER A 19 -21.034 3.537 -2.673 1.00 0.00 H ATOM 274 HB2 SER A 19 -20.135 5.477 -4.798 1.00 0.00 H ATOM 275 HB3 SER A 19 -20.664 5.984 -3.194 1.00 0.00 H ATOM 276 HG SER A 19 -18.880 4.015 -2.939 1.00 0.00 H ATOM 277 N GLN A 20 -23.431 3.929 -3.016 1.00 0.00 N ATOM 278 CA GLN A 20 -24.851 4.244 -3.118 1.00 0.00 C ATOM 279 C GLN A 20 -25.423 4.580 -1.747 1.00 0.00 C ATOM 280 O GLN A 20 -24.862 4.193 -0.724 1.00 0.00 O ATOM 281 CB GLN A 20 -25.612 3.069 -3.732 1.00 0.00 C ATOM 282 CG GLN A 20 -24.860 2.387 -4.862 1.00 0.00 C ATOM 283 CD GLN A 20 -25.225 2.946 -6.222 1.00 0.00 C ATOM 284 OE1 GLN A 20 -25.951 2.316 -6.990 1.00 0.00 O ATOM 285 NE2 GLN A 20 -24.719 4.135 -6.527 1.00 0.00 N ATOM 286 H GLN A 20 -23.108 3.398 -2.258 1.00 0.00 H ATOM 287 HA GLN A 20 -24.955 5.105 -3.760 1.00 0.00 H ATOM 288 HB2 GLN A 20 -25.805 2.337 -2.962 1.00 0.00 H ATOM 289 HB3 GLN A 20 -26.554 3.429 -4.120 1.00 0.00 H ATOM 290 HG2 GLN A 20 -23.801 2.525 -4.706 1.00 0.00 H ATOM 291 HG3 GLN A 20 -25.092 1.332 -4.847 1.00 0.00 H ATOM 292 HE21 GLN A 20 -24.148 4.578 -5.865 1.00 0.00 H ATOM 293 HE22 GLN A 20 -24.940 4.521 -7.400 1.00 0.00 H ATOM 294 N PRO A 21 -26.551 5.307 -1.711 1.00 0.00 N ATOM 295 CA PRO A 21 -27.204 5.696 -0.457 1.00 0.00 C ATOM 296 C PRO A 21 -27.472 4.496 0.443 1.00 0.00 C ATOM 297 O PRO A 21 -28.621 4.112 0.661 1.00 0.00 O ATOM 298 CB PRO A 21 -28.520 6.326 -0.918 1.00 0.00 C ATOM 299 CG PRO A 21 -28.250 6.792 -2.307 1.00 0.00 C ATOM 300 CD PRO A 21 -27.279 5.804 -2.892 1.00 0.00 C ATOM 301 HA PRO A 21 -26.621 6.427 0.083 1.00 0.00 H ATOM 302 HB2 PRO A 21 -29.305 5.583 -0.895 1.00 0.00 H ATOM 303 HB3 PRO A 21 -28.776 7.150 -0.269 1.00 0.00 H ATOM 304 HG2 PRO A 21 -29.167 6.800 -2.878 1.00 0.00 H ATOM 305 HG3 PRO A 21 -27.812 7.778 -2.284 1.00 0.00 H ATOM 306 HD2 PRO A 21 -27.807 5.002 -3.386 1.00 0.00 H ATOM 307 HD3 PRO A 21 -26.606 6.297 -3.579 1.00 0.00 H ATOM 308 N GLY A 22 -26.399 3.904 0.953 1.00 0.00 N ATOM 309 CA GLY A 22 -26.526 2.748 1.814 1.00 0.00 C ATOM 310 C GLY A 22 -25.373 1.778 1.650 1.00 0.00 C ATOM 311 O GLY A 22 -25.229 0.841 2.435 1.00 0.00 O ATOM 312 H GLY A 22 -25.510 4.255 0.737 1.00 0.00 H ATOM 313 HA2 GLY A 22 -26.563 3.079 2.841 1.00 0.00 H ATOM 314 HA3 GLY A 22 -27.447 2.236 1.578 1.00 0.00 H ATOM 315 N ALA A 23 -24.550 1.999 0.627 1.00 0.00 N ATOM 316 CA ALA A 23 -23.409 1.125 0.375 1.00 0.00 C ATOM 317 C ALA A 23 -22.308 1.837 -0.381 1.00 0.00 C ATOM 318 O ALA A 23 -22.382 2.050 -1.591 1.00 0.00 O ATOM 319 CB ALA A 23 -23.853 -0.118 -0.371 1.00 0.00 C ATOM 320 H ALA A 23 -24.713 2.760 0.032 1.00 0.00 H ATOM 321 HA ALA A 23 -23.006 0.829 1.333 1.00 0.00 H ATOM 322 HB1 ALA A 23 -24.772 0.092 -0.900 1.00 0.00 H ATOM 323 HB2 ALA A 23 -24.016 -0.920 0.331 1.00 0.00 H ATOM 324 HB3 ALA A 23 -23.089 -0.404 -1.077 1.00 0.00 H ATOM 325 N PRO A 24 -21.283 2.236 0.365 1.00 0.00 N ATOM 326 CA PRO A 24 -20.136 2.960 -0.123 1.00 0.00 C ATOM 327 C PRO A 24 -18.872 2.119 -0.180 1.00 0.00 C ATOM 328 O PRO A 24 -17.909 2.383 0.538 1.00 0.00 O ATOM 329 CB PRO A 24 -20.022 4.021 0.963 1.00 0.00 C ATOM 330 CG PRO A 24 -20.499 3.340 2.223 1.00 0.00 C ATOM 331 CD PRO A 24 -21.169 2.058 1.804 1.00 0.00 C ATOM 332 HA PRO A 24 -20.309 3.415 -1.083 1.00 0.00 H ATOM 333 HB2 PRO A 24 -18.998 4.338 1.051 1.00 0.00 H ATOM 334 HB3 PRO A 24 -20.652 4.859 0.712 1.00 0.00 H ATOM 335 HG2 PRO A 24 -19.661 3.121 2.863 1.00 0.00 H ATOM 336 HG3 PRO A 24 -21.208 3.973 2.734 1.00 0.00 H ATOM 337 HD2 PRO A 24 -20.548 1.207 2.043 1.00 0.00 H ATOM 338 HD3 PRO A 24 -22.140 1.967 2.264 1.00 0.00 H ATOM 339 N ILE A 25 -18.888 1.114 -1.039 1.00 0.00 N ATOM 340 CA ILE A 25 -17.770 0.228 -1.223 1.00 0.00 C ATOM 341 C ILE A 25 -16.425 0.943 -1.178 1.00 0.00 C ATOM 342 O ILE A 25 -16.351 2.123 -0.846 1.00 0.00 O ATOM 343 CB ILE A 25 -17.958 -0.510 -2.535 1.00 0.00 C ATOM 344 CG1 ILE A 25 -19.169 -1.389 -2.383 1.00 0.00 C ATOM 345 CG2 ILE A 25 -16.747 -1.360 -2.847 1.00 0.00 C ATOM 346 CD1 ILE A 25 -19.039 -2.258 -1.170 1.00 0.00 C ATOM 347 H ILE A 25 -19.690 0.950 -1.576 1.00 0.00 H ATOM 348 HA ILE A 25 -17.794 -0.500 -0.427 1.00 0.00 H ATOM 349 HB ILE A 25 -18.128 0.211 -3.322 1.00 0.00 H ATOM 350 HG12 ILE A 25 -20.052 -0.774 -2.271 1.00 0.00 H ATOM 351 HG13 ILE A 25 -19.270 -2.019 -3.247 1.00 0.00 H ATOM 352 HG21 ILE A 25 -16.399 -1.821 -1.933 1.00 0.00 H ATOM 353 HG22 ILE A 25 -17.021 -2.127 -3.550 1.00 0.00 H ATOM 354 HG23 ILE A 25 -15.963 -0.748 -3.263 1.00 0.00 H ATOM 355 HD11 ILE A 25 -18.010 -2.588 -1.082 1.00 0.00 H ATOM 356 HD12 ILE A 25 -19.305 -1.691 -0.293 1.00 0.00 H ATOM 357 HD13 ILE A 25 -19.685 -3.106 -1.270 1.00 0.00 H ATOM 358 N LEU A 26 -15.353 0.195 -1.430 1.00 0.00 N ATOM 359 CA LEU A 26 -14.013 0.735 -1.318 1.00 0.00 C ATOM 360 C LEU A 26 -13.009 0.091 -2.232 1.00 0.00 C ATOM 361 O LEU A 26 -13.334 -0.512 -3.249 1.00 0.00 O ATOM 362 CB LEU A 26 -13.600 0.492 0.106 1.00 0.00 C ATOM 363 CG LEU A 26 -14.768 0.041 0.951 1.00 0.00 C ATOM 364 CD1 LEU A 26 -14.308 -0.833 2.096 1.00 0.00 C ATOM 365 CD2 LEU A 26 -15.551 1.238 1.463 1.00 0.00 C ATOM 366 H LEU A 26 -15.464 -0.752 -1.617 1.00 0.00 H ATOM 367 HA LEU A 26 -14.027 1.779 -1.496 1.00 0.00 H ATOM 368 HB2 LEU A 26 -12.844 -0.282 0.116 1.00 0.00 H ATOM 369 HB3 LEU A 26 -13.199 1.396 0.519 1.00 0.00 H ATOM 370 HG LEU A 26 -15.421 -0.543 0.311 1.00 0.00 H ATOM 371 HD11 LEU A 26 -13.324 -1.221 1.878 1.00 0.00 H ATOM 372 HD12 LEU A 26 -14.272 -0.245 3.000 1.00 0.00 H ATOM 373 HD13 LEU A 26 -15.000 -1.649 2.224 1.00 0.00 H ATOM 374 HD21 LEU A 26 -15.295 2.110 0.879 1.00 0.00 H ATOM 375 HD22 LEU A 26 -16.608 1.041 1.373 1.00 0.00 H ATOM 376 HD23 LEU A 26 -15.303 1.415 2.499 1.00 0.00 H ATOM 377 N GLN A 27 -11.771 0.255 -1.827 1.00 0.00 N ATOM 378 CA GLN A 27 -10.632 -0.280 -2.558 1.00 0.00 C ATOM 379 C GLN A 27 -9.344 0.423 -2.131 1.00 0.00 C ATOM 380 O GLN A 27 -8.925 1.410 -2.736 1.00 0.00 O ATOM 381 CB GLN A 27 -10.865 -0.131 -4.059 1.00 0.00 C ATOM 382 CG GLN A 27 -9.650 -0.465 -4.905 1.00 0.00 C ATOM 383 CD GLN A 27 -9.922 -0.314 -6.389 1.00 0.00 C ATOM 384 OE1 GLN A 27 -10.568 0.642 -6.819 1.00 0.00 O ATOM 385 NE2 GLN A 27 -9.430 -1.259 -7.181 1.00 0.00 N ATOM 386 H GLN A 27 -11.626 0.769 -0.999 1.00 0.00 H ATOM 387 HA GLN A 27 -10.549 -1.330 -2.318 1.00 0.00 H ATOM 388 HB2 GLN A 27 -11.670 -0.790 -4.349 1.00 0.00 H ATOM 389 HB3 GLN A 27 -11.155 0.888 -4.264 1.00 0.00 H ATOM 390 HG2 GLN A 27 -8.842 0.196 -4.631 1.00 0.00 H ATOM 391 HG3 GLN A 27 -9.360 -1.487 -4.708 1.00 0.00 H ATOM 392 HE21 GLN A 27 -8.925 -1.991 -6.769 1.00 0.00 H ATOM 393 HE22 GLN A 27 -9.594 -1.188 -8.144 1.00 0.00 H ATOM 394 N CYS A 28 -8.741 -0.094 -1.066 1.00 0.00 N ATOM 395 CA CYS A 28 -7.512 0.464 -0.507 1.00 0.00 C ATOM 396 C CYS A 28 -6.629 1.084 -1.585 1.00 0.00 C ATOM 397 O CYS A 28 -6.062 0.374 -2.416 1.00 0.00 O ATOM 398 CB CYS A 28 -6.712 -0.609 0.237 1.00 0.00 C ATOM 399 SG CYS A 28 -6.028 -0.049 1.834 1.00 0.00 S ATOM 400 H CYS A 28 -9.144 -0.868 -0.636 1.00 0.00 H ATOM 401 HA CYS A 28 -7.797 1.227 0.199 1.00 0.00 H ATOM 402 HB2 CYS A 28 -7.345 -1.458 0.429 1.00 0.00 H ATOM 403 HB3 CYS A 28 -5.883 -0.919 -0.382 1.00 0.00 H ATOM 404 N MET A 29 -6.497 2.406 -1.560 1.00 0.00 N ATOM 405 CA MET A 29 -5.658 3.096 -2.534 1.00 0.00 C ATOM 406 C MET A 29 -5.030 4.349 -1.931 1.00 0.00 C ATOM 407 O MET A 29 -5.730 5.233 -1.436 1.00 0.00 O ATOM 408 CB MET A 29 -6.464 3.456 -3.783 1.00 0.00 C ATOM 409 CG MET A 29 -5.768 3.070 -5.079 1.00 0.00 C ATOM 410 SD MET A 29 -6.884 3.055 -6.494 1.00 0.00 S ATOM 411 CE MET A 29 -7.292 1.314 -6.581 1.00 0.00 C ATOM 412 H MET A 29 -6.965 2.926 -0.867 1.00 0.00 H ATOM 413 HA MET A 29 -4.865 2.419 -2.817 1.00 0.00 H ATOM 414 HB2 MET A 29 -7.416 2.948 -3.745 1.00 0.00 H ATOM 415 HB3 MET A 29 -6.632 4.521 -3.794 1.00 0.00 H ATOM 416 HG2 MET A 29 -4.977 3.780 -5.272 1.00 0.00 H ATOM 417 HG3 MET A 29 -5.343 2.084 -4.962 1.00 0.00 H ATOM 418 HE1 MET A 29 -6.501 0.735 -6.129 1.00 0.00 H ATOM 419 HE2 MET A 29 -8.215 1.137 -6.053 1.00 0.00 H ATOM 420 HE3 MET A 29 -7.407 1.021 -7.615 1.00 0.00 H ATOM 421 N GLY A 30 -3.701 4.416 -1.976 1.00 0.00 N ATOM 422 CA GLY A 30 -2.996 5.563 -1.430 1.00 0.00 C ATOM 423 C GLY A 30 -1.526 5.280 -1.175 1.00 0.00 C ATOM 424 O GLY A 30 -0.974 4.310 -1.695 1.00 0.00 O ATOM 425 H GLY A 30 -3.196 3.681 -2.382 1.00 0.00 H ATOM 426 HA2 GLY A 30 -3.076 6.385 -2.127 1.00 0.00 H ATOM 427 HA3 GLY A 30 -3.463 5.848 -0.499 1.00 0.00 H ATOM 428 N CYS A 31 -0.892 6.131 -0.371 1.00 0.00 N ATOM 429 CA CYS A 31 0.524 5.973 -0.043 1.00 0.00 C ATOM 430 C CYS A 31 0.730 5.932 1.470 1.00 0.00 C ATOM 431 O CYS A 31 0.218 6.784 2.197 1.00 0.00 O ATOM 432 CB CYS A 31 1.336 7.120 -0.647 1.00 0.00 C ATOM 433 SG CYS A 31 2.441 6.622 -2.006 1.00 0.00 S ATOM 434 H CYS A 31 -1.388 6.884 0.012 1.00 0.00 H ATOM 435 HA CYS A 31 0.862 5.040 -0.468 1.00 0.00 H ATOM 436 HB2 CYS A 31 0.658 7.865 -1.035 1.00 0.00 H ATOM 437 HB3 CYS A 31 1.946 7.565 0.126 1.00 0.00 H ATOM 438 N CYS A 32 1.476 4.935 1.941 1.00 0.00 N ATOM 439 CA CYS A 32 1.738 4.785 3.371 1.00 0.00 C ATOM 440 C CYS A 32 3.025 5.497 3.781 1.00 0.00 C ATOM 441 O CYS A 32 3.707 5.074 4.715 1.00 0.00 O ATOM 442 CB CYS A 32 1.826 3.302 3.743 1.00 0.00 C ATOM 443 SG CYS A 32 1.335 2.932 5.459 1.00 0.00 S ATOM 444 H CYS A 32 1.853 4.284 1.314 1.00 0.00 H ATOM 445 HA CYS A 32 0.912 5.230 3.905 1.00 0.00 H ATOM 446 HB2 CYS A 32 1.181 2.736 3.088 1.00 0.00 H ATOM 447 HB3 CYS A 32 2.844 2.967 3.614 1.00 0.00 H ATOM 448 N PHE A 33 3.351 6.581 3.085 1.00 0.00 N ATOM 449 CA PHE A 33 4.556 7.347 3.390 1.00 0.00 C ATOM 450 C PHE A 33 5.806 6.492 3.199 1.00 0.00 C ATOM 451 O PHE A 33 5.733 5.380 2.676 1.00 0.00 O ATOM 452 CB PHE A 33 4.495 7.875 4.824 1.00 0.00 C ATOM 453 CG PHE A 33 3.162 8.468 5.186 1.00 0.00 C ATOM 454 CD1 PHE A 33 2.595 9.460 4.402 1.00 0.00 C ATOM 455 CD2 PHE A 33 2.477 8.032 6.309 1.00 0.00 C ATOM 456 CE1 PHE A 33 1.369 10.005 4.730 1.00 0.00 C ATOM 457 CE2 PHE A 33 1.250 8.574 6.643 1.00 0.00 C ATOM 458 CZ PHE A 33 0.695 9.562 5.852 1.00 0.00 C ATOM 459 H PHE A 33 2.769 6.875 2.354 1.00 0.00 H ATOM 460 HA PHE A 33 4.598 8.183 2.708 1.00 0.00 H ATOM 461 HB2 PHE A 33 4.695 7.064 5.509 1.00 0.00 H ATOM 462 HB3 PHE A 33 5.246 8.641 4.951 1.00 0.00 H ATOM 463 HD1 PHE A 33 3.120 9.806 3.523 1.00 0.00 H ATOM 464 HD2 PHE A 33 2.911 7.260 6.928 1.00 0.00 H ATOM 465 HE1 PHE A 33 0.937 10.778 4.111 1.00 0.00 H ATOM 466 HE2 PHE A 33 0.725 8.226 7.520 1.00 0.00 H ATOM 467 HZ PHE A 33 -0.263 9.987 6.111 1.00 0.00 H ATOM 468 N SER A 34 6.953 7.017 3.623 1.00 0.00 N ATOM 469 CA SER A 34 8.215 6.295 3.491 1.00 0.00 C ATOM 470 C SER A 34 9.045 6.383 4.770 1.00 0.00 C ATOM 471 O SER A 34 8.960 7.361 5.514 1.00 0.00 O ATOM 472 CB SER A 34 9.022 6.844 2.313 1.00 0.00 C ATOM 473 OG SER A 34 10.066 5.955 1.954 1.00 0.00 O ATOM 474 H SER A 34 6.951 7.909 4.030 1.00 0.00 H ATOM 475 HA SER A 34 7.982 5.258 3.301 1.00 0.00 H ATOM 476 HB2 SER A 34 8.371 6.977 1.463 1.00 0.00 H ATOM 477 HB3 SER A 34 9.455 7.794 2.588 1.00 0.00 H ATOM 478 HG SER A 34 9.763 5.372 1.253 1.00 0.00 H ATOM 479 N ARG A 35 9.855 5.355 5.011 1.00 0.00 N ATOM 480 CA ARG A 35 10.712 5.308 6.191 1.00 0.00 C ATOM 481 C ARG A 35 12.113 4.832 5.820 1.00 0.00 C ATOM 482 O ARG A 35 12.451 3.663 6.005 1.00 0.00 O ATOM 483 CB ARG A 35 10.113 4.378 7.248 1.00 0.00 C ATOM 484 CG ARG A 35 9.842 5.063 8.577 1.00 0.00 C ATOM 485 CD ARG A 35 8.413 4.836 9.042 1.00 0.00 C ATOM 486 NE ARG A 35 8.266 3.578 9.769 1.00 0.00 N ATOM 487 CZ ARG A 35 7.156 3.219 10.407 1.00 0.00 C ATOM 488 NH1 ARG A 35 6.097 4.017 10.404 1.00 0.00 N ATOM 489 NH2 ARG A 35 7.106 2.060 11.049 1.00 0.00 N ATOM 490 H ARG A 35 9.880 4.609 4.375 1.00 0.00 H ATOM 491 HA ARG A 35 10.777 6.307 6.596 1.00 0.00 H ATOM 492 HB2 ARG A 35 9.180 3.981 6.875 1.00 0.00 H ATOM 493 HB3 ARG A 35 10.798 3.561 7.422 1.00 0.00 H ATOM 494 HG2 ARG A 35 10.518 4.665 9.320 1.00 0.00 H ATOM 495 HG3 ARG A 35 10.011 6.124 8.465 1.00 0.00 H ATOM 496 HD2 ARG A 35 8.125 5.650 9.691 1.00 0.00 H ATOM 497 HD3 ARG A 35 7.766 4.820 8.178 1.00 0.00 H ATOM 498 HE ARG A 35 9.035 2.971 9.784 1.00 0.00 H ATOM 499 HH11 ARG A 35 6.130 4.891 9.920 1.00 0.00 H ATOM 500 HH12 ARG A 35 5.264 3.744 10.887 1.00 0.00 H ATOM 501 HH21 ARG A 35 7.903 1.456 11.052 1.00 0.00 H ATOM 502 HH22 ARG A 35 6.272 1.791 11.530 1.00 0.00 H ATOM 503 N ALA A 36 12.924 5.743 5.291 1.00 0.00 N ATOM 504 CA ALA A 36 14.285 5.410 4.891 1.00 0.00 C ATOM 505 C ALA A 36 15.310 6.017 5.844 1.00 0.00 C ATOM 506 O ALA A 36 15.056 7.042 6.477 1.00 0.00 O ATOM 507 CB ALA A 36 14.545 5.877 3.467 1.00 0.00 C ATOM 508 H ALA A 36 12.599 6.659 5.165 1.00 0.00 H ATOM 509 HA ALA A 36 14.383 4.334 4.913 1.00 0.00 H ATOM 510 HB1 ALA A 36 14.895 5.045 2.874 1.00 0.00 H ATOM 511 HB2 ALA A 36 15.295 6.654 3.474 1.00 0.00 H ATOM 512 HB3 ALA A 36 13.630 6.263 3.041 1.00 0.00 H ATOM 513 N TYR A 37 16.469 5.374 5.939 1.00 0.00 N ATOM 514 CA TYR A 37 17.540 5.841 6.809 1.00 0.00 C ATOM 515 C TYR A 37 18.889 5.341 6.307 1.00 0.00 C ATOM 516 O TYR A 37 19.250 4.182 6.508 1.00 0.00 O ATOM 517 CB TYR A 37 17.303 5.369 8.245 1.00 0.00 C ATOM 518 CG TYR A 37 18.487 5.588 9.160 1.00 0.00 C ATOM 519 CD1 TYR A 37 18.726 6.831 9.735 1.00 0.00 C ATOM 520 CD2 TYR A 37 19.366 4.552 9.450 1.00 0.00 C ATOM 521 CE1 TYR A 37 19.807 7.034 10.572 1.00 0.00 C ATOM 522 CE2 TYR A 37 20.449 4.747 10.287 1.00 0.00 C ATOM 523 CZ TYR A 37 20.665 5.989 10.845 1.00 0.00 C ATOM 524 OH TYR A 37 21.741 6.188 11.679 1.00 0.00 O ATOM 525 H TYR A 37 16.608 4.562 5.408 1.00 0.00 H ATOM 526 HA TYR A 37 17.539 6.921 6.788 1.00 0.00 H ATOM 527 HB2 TYR A 37 16.462 5.905 8.658 1.00 0.00 H ATOM 528 HB3 TYR A 37 17.080 4.312 8.235 1.00 0.00 H ATOM 529 HD1 TYR A 37 18.052 7.647 9.520 1.00 0.00 H ATOM 530 HD2 TYR A 37 19.194 3.581 9.012 1.00 0.00 H ATOM 531 HE1 TYR A 37 19.975 8.007 11.009 1.00 0.00 H ATOM 532 HE2 TYR A 37 21.121 3.928 10.500 1.00 0.00 H ATOM 533 HH TYR A 37 22.537 6.302 11.154 1.00 0.00 H ATOM 534 N PRO A 38 19.647 6.215 5.631 1.00 0.00 N ATOM 535 CA PRO A 38 20.961 5.868 5.079 1.00 0.00 C ATOM 536 C PRO A 38 21.966 5.474 6.157 1.00 0.00 C ATOM 537 O PRO A 38 22.016 6.079 7.227 1.00 0.00 O ATOM 538 CB PRO A 38 21.414 7.152 4.375 1.00 0.00 C ATOM 539 CG PRO A 38 20.172 7.956 4.187 1.00 0.00 C ATOM 540 CD PRO A 38 19.279 7.608 5.342 1.00 0.00 C ATOM 541 HA PRO A 38 20.884 5.068 4.357 1.00 0.00 H ATOM 542 HB2 PRO A 38 22.129 7.671 4.996 1.00 0.00 H ATOM 543 HB3 PRO A 38 21.868 6.903 3.427 1.00 0.00 H ATOM 544 HG2 PRO A 38 20.409 9.009 4.201 1.00 0.00 H ATOM 545 HG3 PRO A 38 19.698 7.688 3.254 1.00 0.00 H ATOM 546 HD2 PRO A 38 19.487 8.247 6.188 1.00 0.00 H ATOM 547 HD3 PRO A 38 18.241 7.681 5.055 1.00 0.00 H ATOM 548 N THR A 39 22.770 4.458 5.857 1.00 0.00 N ATOM 549 CA THR A 39 23.785 3.979 6.788 1.00 0.00 C ATOM 550 C THR A 39 25.068 3.627 6.043 1.00 0.00 C ATOM 551 O THR A 39 25.046 2.878 5.066 1.00 0.00 O ATOM 552 CB THR A 39 23.275 2.758 7.557 1.00 0.00 C ATOM 553 OG1 THR A 39 21.883 2.858 7.798 1.00 0.00 O ATOM 554 CG2 THR A 39 23.961 2.564 8.892 1.00 0.00 C ATOM 555 H THR A 39 22.682 4.023 4.984 1.00 0.00 H ATOM 556 HA THR A 39 23.995 4.775 7.488 1.00 0.00 H ATOM 557 HB THR A 39 23.453 1.872 6.963 1.00 0.00 H ATOM 558 HG1 THR A 39 21.611 2.160 8.400 1.00 0.00 H ATOM 559 HG21 THR A 39 23.930 3.487 9.451 1.00 0.00 H ATOM 560 HG22 THR A 39 23.455 1.789 9.448 1.00 0.00 H ATOM 561 HG23 THR A 39 24.990 2.277 8.730 1.00 0.00 H ATOM 562 N PRO A 40 26.206 4.173 6.496 1.00 0.00 N ATOM 563 CA PRO A 40 27.509 3.925 5.871 1.00 0.00 C ATOM 564 C PRO A 40 28.044 2.525 6.162 1.00 0.00 C ATOM 565 O PRO A 40 28.766 2.317 7.137 1.00 0.00 O ATOM 566 CB PRO A 40 28.408 4.986 6.506 1.00 0.00 C ATOM 567 CG PRO A 40 27.792 5.259 7.834 1.00 0.00 C ATOM 568 CD PRO A 40 26.308 5.083 7.651 1.00 0.00 C ATOM 569 HA PRO A 40 27.468 4.078 4.803 1.00 0.00 H ATOM 570 HB2 PRO A 40 29.412 4.599 6.607 1.00 0.00 H ATOM 571 HB3 PRO A 40 28.418 5.871 5.888 1.00 0.00 H ATOM 572 HG2 PRO A 40 28.165 4.556 8.564 1.00 0.00 H ATOM 573 HG3 PRO A 40 28.013 6.272 8.140 1.00 0.00 H ATOM 574 HD2 PRO A 40 25.870 4.638 8.532 1.00 0.00 H ATOM 575 HD3 PRO A 40 25.840 6.032 7.435 1.00 0.00 H ATOM 576 N LEU A 41 27.689 1.570 5.306 1.00 0.00 N ATOM 577 CA LEU A 41 28.140 0.192 5.470 1.00 0.00 C ATOM 578 C LEU A 41 29.560 0.024 4.933 1.00 0.00 C ATOM 579 O LEU A 41 30.401 0.907 5.101 1.00 0.00 O ATOM 580 CB LEU A 41 27.186 -0.769 4.754 1.00 0.00 C ATOM 581 CG LEU A 41 25.705 -0.584 5.089 1.00 0.00 C ATOM 582 CD1 LEU A 41 24.969 0.047 3.917 1.00 0.00 C ATOM 583 CD2 LEU A 41 25.073 -1.917 5.463 1.00 0.00 C ATOM 584 H LEU A 41 27.115 1.798 4.546 1.00 0.00 H ATOM 585 HA LEU A 41 28.138 -0.034 6.525 1.00 0.00 H ATOM 586 HB2 LEU A 41 27.313 -0.641 3.688 1.00 0.00 H ATOM 587 HB3 LEU A 41 27.467 -1.779 5.013 1.00 0.00 H ATOM 588 HG LEU A 41 25.615 0.080 5.937 1.00 0.00 H ATOM 589 HD11 LEU A 41 25.472 0.955 3.623 1.00 0.00 H ATOM 590 HD12 LEU A 41 24.956 -0.643 3.087 1.00 0.00 H ATOM 591 HD13 LEU A 41 23.954 0.276 4.210 1.00 0.00 H ATOM 592 HD21 LEU A 41 25.838 -2.593 5.812 1.00 0.00 H ATOM 593 HD22 LEU A 41 24.345 -1.762 6.247 1.00 0.00 H ATOM 594 HD23 LEU A 41 24.585 -2.341 4.598 1.00 0.00 H ATOM 595 N ARG A 42 29.825 -1.110 4.289 1.00 0.00 N ATOM 596 CA ARG A 42 31.147 -1.377 3.734 1.00 0.00 C ATOM 597 C ARG A 42 31.065 -1.685 2.243 1.00 0.00 C ATOM 598 O ARG A 42 31.957 -1.325 1.475 1.00 0.00 O ATOM 599 CB ARG A 42 31.810 -2.543 4.470 1.00 0.00 C ATOM 600 CG ARG A 42 31.040 -3.849 4.363 1.00 0.00 C ATOM 601 CD ARG A 42 30.671 -4.389 5.735 1.00 0.00 C ATOM 602 NE ARG A 42 29.313 -4.923 5.768 1.00 0.00 N ATOM 603 CZ ARG A 42 28.676 -5.245 6.889 1.00 0.00 C ATOM 604 NH1 ARG A 42 29.271 -5.079 8.062 1.00 0.00 N ATOM 605 NH2 ARG A 42 27.444 -5.731 6.839 1.00 0.00 N ATOM 606 H ARG A 42 29.119 -1.780 4.183 1.00 0.00 H ATOM 607 HA ARG A 42 31.747 -0.490 3.872 1.00 0.00 H ATOM 608 HB2 ARG A 42 32.796 -2.697 4.059 1.00 0.00 H ATOM 609 HB3 ARG A 42 31.901 -2.288 5.515 1.00 0.00 H ATOM 610 HG2 ARG A 42 30.136 -3.679 3.799 1.00 0.00 H ATOM 611 HG3 ARG A 42 31.654 -4.577 3.853 1.00 0.00 H ATOM 612 HD2 ARG A 42 31.363 -5.176 5.995 1.00 0.00 H ATOM 613 HD3 ARG A 42 30.750 -3.589 6.455 1.00 0.00 H ATOM 614 HE ARG A 42 28.854 -5.053 4.911 1.00 0.00 H ATOM 615 HH11 ARG A 42 30.202 -4.715 8.104 1.00 0.00 H ATOM 616 HH12 ARG A 42 28.789 -5.317 8.905 1.00 0.00 H ATOM 617 HH21 ARG A 42 26.994 -5.860 5.956 1.00 0.00 H ATOM 618 HH22 ARG A 42 26.967 -5.970 7.684 1.00 0.00 H ATOM 619 N SER A 43 29.991 -2.356 1.838 1.00 0.00 N ATOM 620 CA SER A 43 29.798 -2.715 0.438 1.00 0.00 C ATOM 621 C SER A 43 30.961 -3.567 -0.063 1.00 0.00 C ATOM 622 O SER A 43 31.935 -3.050 -0.610 1.00 0.00 O ATOM 623 CB SER A 43 29.656 -1.455 -0.418 1.00 0.00 C ATOM 624 OG SER A 43 30.294 -1.614 -1.674 1.00 0.00 O ATOM 625 H SER A 43 29.314 -2.618 2.497 1.00 0.00 H ATOM 626 HA SER A 43 28.889 -3.293 0.368 1.00 0.00 H ATOM 627 HB2 SER A 43 28.608 -1.252 -0.583 1.00 0.00 H ATOM 628 HB3 SER A 43 30.106 -0.619 0.098 1.00 0.00 H ATOM 629 HG SER A 43 29.831 -2.281 -2.186 1.00 0.00 H ATOM 630 N LYS A 44 30.853 -4.877 0.138 1.00 0.00 N ATOM 631 CA LYS A 44 31.895 -5.809 -0.281 1.00 0.00 C ATOM 632 C LYS A 44 32.323 -5.558 -1.725 1.00 0.00 C ATOM 633 O LYS A 44 33.343 -4.916 -1.978 1.00 0.00 O ATOM 634 CB LYS A 44 31.407 -7.251 -0.127 1.00 0.00 C ATOM 635 CG LYS A 44 32.389 -8.287 -0.649 1.00 0.00 C ATOM 636 CD LYS A 44 31.666 -9.489 -1.234 1.00 0.00 C ATOM 637 CE LYS A 44 31.588 -10.632 -0.235 1.00 0.00 C ATOM 638 NZ LYS A 44 30.226 -10.763 0.352 1.00 0.00 N ATOM 639 H LYS A 44 30.055 -5.226 0.586 1.00 0.00 H ATOM 640 HA LYS A 44 32.749 -5.660 0.363 1.00 0.00 H ATOM 641 HB2 LYS A 44 31.231 -7.449 0.920 1.00 0.00 H ATOM 642 HB3 LYS A 44 30.478 -7.364 -0.666 1.00 0.00 H ATOM 643 HG2 LYS A 44 32.999 -7.837 -1.416 1.00 0.00 H ATOM 644 HG3 LYS A 44 33.016 -8.617 0.167 1.00 0.00 H ATOM 645 HD2 LYS A 44 30.664 -9.196 -1.509 1.00 0.00 H ATOM 646 HD3 LYS A 44 32.199 -9.825 -2.112 1.00 0.00 H ATOM 647 HE2 LYS A 44 31.842 -11.552 -0.739 1.00 0.00 H ATOM 648 HE3 LYS A 44 32.297 -10.449 0.559 1.00 0.00 H ATOM 649 HZ1 LYS A 44 29.769 -9.830 0.406 1.00 0.00 H ATOM 650 HZ2 LYS A 44 29.641 -11.391 -0.237 1.00 0.00 H ATOM 651 HZ3 LYS A 44 30.285 -11.163 1.310 1.00 0.00 H ATOM 652 N LYS A 45 31.545 -6.080 -2.667 1.00 0.00 N ATOM 653 CA LYS A 45 31.849 -5.925 -4.087 1.00 0.00 C ATOM 654 C LYS A 45 31.840 -4.453 -4.503 1.00 0.00 C ATOM 655 O LYS A 45 32.051 -3.567 -3.676 1.00 0.00 O ATOM 656 CB LYS A 45 30.847 -6.726 -4.923 1.00 0.00 C ATOM 657 CG LYS A 45 31.278 -8.164 -5.167 1.00 0.00 C ATOM 658 CD LYS A 45 30.998 -8.597 -6.597 1.00 0.00 C ATOM 659 CE LYS A 45 32.114 -8.173 -7.538 1.00 0.00 C ATOM 660 NZ LYS A 45 33.321 -9.033 -7.393 1.00 0.00 N ATOM 661 H LYS A 45 30.752 -6.589 -2.402 1.00 0.00 H ATOM 662 HA LYS A 45 32.838 -6.324 -4.255 1.00 0.00 H ATOM 663 HB2 LYS A 45 29.897 -6.740 -4.410 1.00 0.00 H ATOM 664 HB3 LYS A 45 30.722 -6.245 -5.880 1.00 0.00 H ATOM 665 HG2 LYS A 45 32.337 -8.250 -4.976 1.00 0.00 H ATOM 666 HG3 LYS A 45 30.736 -8.811 -4.492 1.00 0.00 H ATOM 667 HD2 LYS A 45 30.907 -9.673 -6.625 1.00 0.00 H ATOM 668 HD3 LYS A 45 30.072 -8.147 -6.923 1.00 0.00 H ATOM 669 HE2 LYS A 45 31.754 -8.242 -8.554 1.00 0.00 H ATOM 670 HE3 LYS A 45 32.381 -7.150 -7.320 1.00 0.00 H ATOM 671 HZ1 LYS A 45 33.154 -9.764 -6.672 1.00 0.00 H ATOM 672 HZ2 LYS A 45 33.541 -9.497 -8.297 1.00 0.00 H ATOM 673 HZ3 LYS A 45 34.137 -8.457 -7.104 1.00 0.00 H ATOM 674 N THR A 46 31.607 -4.205 -5.793 1.00 0.00 N ATOM 675 CA THR A 46 31.579 -2.845 -6.331 1.00 0.00 C ATOM 676 C THR A 46 31.001 -1.860 -5.319 1.00 0.00 C ATOM 677 O THR A 46 30.419 -2.259 -4.311 1.00 0.00 O ATOM 678 CB THR A 46 30.756 -2.804 -7.621 1.00 0.00 C ATOM 679 OG1 THR A 46 29.629 -3.657 -7.523 1.00 0.00 O ATOM 680 CG2 THR A 46 31.540 -3.218 -8.849 1.00 0.00 C ATOM 681 H THR A 46 31.458 -4.956 -6.402 1.00 0.00 H ATOM 682 HA THR A 46 32.594 -2.557 -6.555 1.00 0.00 H ATOM 683 HB THR A 46 30.403 -1.795 -7.779 1.00 0.00 H ATOM 684 HG1 THR A 46 29.345 -3.708 -6.608 1.00 0.00 H ATOM 685 HG21 THR A 46 32.588 -3.009 -8.694 1.00 0.00 H ATOM 686 HG22 THR A 46 31.404 -4.275 -9.023 1.00 0.00 H ATOM 687 HG23 THR A 46 31.185 -2.664 -9.706 1.00 0.00 H ATOM 688 N MET A 47 31.166 -0.568 -5.600 1.00 0.00 N ATOM 689 CA MET A 47 30.663 0.484 -4.720 1.00 0.00 C ATOM 690 C MET A 47 29.455 -0.002 -3.927 1.00 0.00 C ATOM 691 O MET A 47 29.319 0.292 -2.739 1.00 0.00 O ATOM 692 CB MET A 47 30.286 1.723 -5.534 1.00 0.00 C ATOM 693 CG MET A 47 31.446 2.305 -6.326 1.00 0.00 C ATOM 694 SD MET A 47 31.806 4.013 -5.876 1.00 0.00 S ATOM 695 CE MET A 47 31.591 3.946 -4.099 1.00 0.00 C ATOM 696 H MET A 47 31.638 -0.316 -6.421 1.00 0.00 H ATOM 697 HA MET A 47 31.452 0.744 -4.030 1.00 0.00 H ATOM 698 HB2 MET A 47 29.501 1.460 -6.227 1.00 0.00 H ATOM 699 HB3 MET A 47 29.921 2.484 -4.861 1.00 0.00 H ATOM 700 HG2 MET A 47 32.326 1.708 -6.143 1.00 0.00 H ATOM 701 HG3 MET A 47 31.200 2.269 -7.378 1.00 0.00 H ATOM 702 HE1 MET A 47 31.548 2.915 -3.780 1.00 0.00 H ATOM 703 HE2 MET A 47 32.424 4.437 -3.618 1.00 0.00 H ATOM 704 HE3 MET A 47 30.673 4.446 -3.829 1.00 0.00 H ATOM 705 N LEU A 48 28.585 -0.752 -4.594 1.00 0.00 N ATOM 706 CA LEU A 48 27.391 -1.288 -3.957 1.00 0.00 C ATOM 707 C LEU A 48 27.362 -2.810 -4.053 1.00 0.00 C ATOM 708 O LEU A 48 28.158 -3.412 -4.774 1.00 0.00 O ATOM 709 CB LEU A 48 26.132 -0.698 -4.602 1.00 0.00 C ATOM 710 CG LEU A 48 26.028 -0.872 -6.121 1.00 0.00 C ATOM 711 CD1 LEU A 48 26.991 0.064 -6.835 1.00 0.00 C ATOM 712 CD2 LEU A 48 26.293 -2.317 -6.516 1.00 0.00 C ATOM 713 H LEU A 48 28.754 -0.953 -5.538 1.00 0.00 H ATOM 714 HA LEU A 48 27.416 -1.006 -2.915 1.00 0.00 H ATOM 715 HB2 LEU A 48 25.270 -1.165 -4.149 1.00 0.00 H ATOM 716 HB3 LEU A 48 26.104 0.358 -4.382 1.00 0.00 H ATOM 717 HG LEU A 48 25.026 -0.619 -6.436 1.00 0.00 H ATOM 718 HD11 LEU A 48 27.253 0.880 -6.179 1.00 0.00 H ATOM 719 HD12 LEU A 48 27.883 -0.478 -7.111 1.00 0.00 H ATOM 720 HD13 LEU A 48 26.519 0.455 -7.725 1.00 0.00 H ATOM 721 HD21 LEU A 48 25.824 -2.976 -5.802 1.00 0.00 H ATOM 722 HD22 LEU A 48 25.886 -2.503 -7.499 1.00 0.00 H ATOM 723 HD23 LEU A 48 27.358 -2.497 -6.527 1.00 0.00 H ATOM 724 N VAL A 49 26.437 -3.427 -3.327 1.00 0.00 N ATOM 725 CA VAL A 49 26.300 -4.878 -3.337 1.00 0.00 C ATOM 726 C VAL A 49 24.841 -5.283 -3.515 1.00 0.00 C ATOM 727 O VAL A 49 23.970 -4.850 -2.759 1.00 0.00 O ATOM 728 CB VAL A 49 26.846 -5.507 -2.043 1.00 0.00 C ATOM 729 CG1 VAL A 49 28.294 -5.931 -2.230 1.00 0.00 C ATOM 730 CG2 VAL A 49 26.711 -4.536 -0.879 1.00 0.00 C ATOM 731 H VAL A 49 25.828 -2.893 -2.775 1.00 0.00 H ATOM 732 HA VAL A 49 26.873 -5.260 -4.170 1.00 0.00 H ATOM 733 HB VAL A 49 26.262 -6.388 -1.820 1.00 0.00 H ATOM 734 HG11 VAL A 49 28.667 -5.534 -3.162 1.00 0.00 H ATOM 735 HG12 VAL A 49 28.889 -5.552 -1.413 1.00 0.00 H ATOM 736 HG13 VAL A 49 28.354 -7.009 -2.249 1.00 0.00 H ATOM 737 HG21 VAL A 49 25.794 -3.977 -0.982 1.00 0.00 H ATOM 738 HG22 VAL A 49 26.694 -5.089 0.049 1.00 0.00 H ATOM 739 HG23 VAL A 49 27.550 -3.855 -0.877 1.00 0.00 H ATOM 740 N GLN A 50 24.580 -6.109 -4.522 1.00 0.00 N ATOM 741 CA GLN A 50 23.224 -6.564 -4.803 1.00 0.00 C ATOM 742 C GLN A 50 22.327 -5.382 -5.157 1.00 0.00 C ATOM 743 O GLN A 50 22.791 -4.246 -5.252 1.00 0.00 O ATOM 744 CB GLN A 50 22.656 -7.319 -3.599 1.00 0.00 C ATOM 745 CG GLN A 50 23.307 -8.673 -3.367 1.00 0.00 C ATOM 746 CD GLN A 50 24.766 -8.699 -3.779 1.00 0.00 C ATOM 747 OE1 GLN A 50 25.627 -8.155 -3.089 1.00 0.00 O ATOM 748 NE2 GLN A 50 25.053 -9.333 -4.912 1.00 0.00 N ATOM 749 H GLN A 50 25.315 -6.415 -5.092 1.00 0.00 H ATOM 750 HA GLN A 50 23.268 -7.233 -5.649 1.00 0.00 H ATOM 751 HB2 GLN A 50 22.800 -6.720 -2.712 1.00 0.00 H ATOM 752 HB3 GLN A 50 21.598 -7.473 -3.751 1.00 0.00 H ATOM 753 HG2 GLN A 50 23.243 -8.914 -2.316 1.00 0.00 H ATOM 754 HG3 GLN A 50 22.773 -9.418 -3.939 1.00 0.00 H ATOM 755 HE21 GLN A 50 24.316 -9.742 -5.413 1.00 0.00 H ATOM 756 HE22 GLN A 50 25.989 -9.367 -5.198 1.00 0.00 H ATOM 757 N LYS A 51 21.041 -5.654 -5.357 1.00 0.00 N ATOM 758 CA LYS A 51 20.085 -4.608 -5.706 1.00 0.00 C ATOM 759 C LYS A 51 19.139 -4.315 -4.544 1.00 0.00 C ATOM 760 O LYS A 51 18.583 -5.229 -3.935 1.00 0.00 O ATOM 761 CB LYS A 51 19.280 -5.016 -6.945 1.00 0.00 C ATOM 762 CG LYS A 51 18.270 -3.968 -7.388 1.00 0.00 C ATOM 763 CD LYS A 51 17.735 -4.260 -8.780 1.00 0.00 C ATOM 764 CE LYS A 51 16.233 -4.036 -8.860 1.00 0.00 C ATOM 765 NZ LYS A 51 15.474 -5.309 -8.709 1.00 0.00 N ATOM 766 H LYS A 51 20.728 -6.579 -5.272 1.00 0.00 H ATOM 767 HA LYS A 51 20.643 -3.713 -5.932 1.00 0.00 H ATOM 768 HB2 LYS A 51 19.963 -5.193 -7.762 1.00 0.00 H ATOM 769 HB3 LYS A 51 18.746 -5.930 -6.729 1.00 0.00 H ATOM 770 HG2 LYS A 51 17.445 -3.961 -6.692 1.00 0.00 H ATOM 771 HG3 LYS A 51 18.748 -2.999 -7.392 1.00 0.00 H ATOM 772 HD2 LYS A 51 18.223 -3.607 -9.487 1.00 0.00 H ATOM 773 HD3 LYS A 51 17.950 -5.289 -9.030 1.00 0.00 H ATOM 774 HE2 LYS A 51 15.941 -3.358 -8.072 1.00 0.00 H ATOM 775 HE3 LYS A 51 15.997 -3.598 -9.818 1.00 0.00 H ATOM 776 HZ1 LYS A 51 16.123 -6.083 -8.462 1.00 0.00 H ATOM 777 HZ2 LYS A 51 14.763 -5.214 -7.956 1.00 0.00 H ATOM 778 HZ3 LYS A 51 14.992 -5.545 -9.600 1.00 0.00 H ATOM 779 N ASN A 52 18.959 -3.031 -4.243 1.00 0.00 N ATOM 780 CA ASN A 52 18.078 -2.615 -3.157 1.00 0.00 C ATOM 781 C ASN A 52 17.189 -1.456 -3.598 1.00 0.00 C ATOM 782 O ASN A 52 17.595 -0.625 -4.410 1.00 0.00 O ATOM 783 CB ASN A 52 18.899 -2.213 -1.929 1.00 0.00 C ATOM 784 CG ASN A 52 19.740 -0.972 -2.166 1.00 0.00 C ATOM 785 OD1 ASN A 52 19.922 -0.540 -3.303 1.00 0.00 O ATOM 786 ND2 ASN A 52 20.256 -0.398 -1.082 1.00 0.00 N ATOM 787 H ASN A 52 19.427 -2.347 -4.766 1.00 0.00 H ATOM 788 HA ASN A 52 17.451 -3.455 -2.900 1.00 0.00 H ATOM 789 HB2 ASN A 52 18.231 -2.018 -1.104 1.00 0.00 H ATOM 790 HB3 ASN A 52 19.560 -3.027 -1.665 1.00 0.00 H ATOM 791 N VAL A 53 15.972 -1.407 -3.061 1.00 0.00 N ATOM 792 CA VAL A 53 15.030 -0.349 -3.408 1.00 0.00 C ATOM 793 C VAL A 53 14.912 0.676 -2.285 1.00 0.00 C ATOM 794 O VAL A 53 15.285 0.408 -1.143 1.00 0.00 O ATOM 795 CB VAL A 53 13.631 -0.916 -3.721 1.00 0.00 C ATOM 796 CG1 VAL A 53 13.701 -1.914 -4.867 1.00 0.00 C ATOM 797 CG2 VAL A 53 13.021 -1.555 -2.483 1.00 0.00 C ATOM 798 H VAL A 53 15.702 -2.099 -2.421 1.00 0.00 H ATOM 799 HA VAL A 53 15.399 0.146 -4.294 1.00 0.00 H ATOM 800 HB VAL A 53 12.996 -0.097 -4.027 1.00 0.00 H ATOM 801 HG11 VAL A 53 14.622 -2.474 -4.802 1.00 0.00 H ATOM 802 HG12 VAL A 53 12.862 -2.591 -4.805 1.00 0.00 H ATOM 803 HG13 VAL A 53 13.666 -1.385 -5.809 1.00 0.00 H ATOM 804 HG21 VAL A 53 13.280 -0.973 -1.612 1.00 0.00 H ATOM 805 HG22 VAL A 53 11.946 -1.588 -2.588 1.00 0.00 H ATOM 806 HG23 VAL A 53 13.402 -2.560 -2.371 1.00 0.00 H ATOM 807 N THR A 54 14.393 1.853 -2.622 1.00 0.00 N ATOM 808 CA THR A 54 14.227 2.926 -1.647 1.00 0.00 C ATOM 809 C THR A 54 13.142 2.583 -0.632 1.00 0.00 C ATOM 810 O THR A 54 13.042 3.212 0.420 1.00 0.00 O ATOM 811 CB THR A 54 13.885 4.237 -2.358 1.00 0.00 C ATOM 812 OG1 THR A 54 15.063 4.890 -2.794 1.00 0.00 O ATOM 813 CG2 THR A 54 13.115 5.214 -1.493 1.00 0.00 C ATOM 814 H THR A 54 14.117 2.004 -3.550 1.00 0.00 H ATOM 815 HA THR A 54 15.165 3.046 -1.125 1.00 0.00 H ATOM 816 HB THR A 54 13.280 4.016 -3.226 1.00 0.00 H ATOM 817 HG1 THR A 54 15.522 5.259 -2.036 1.00 0.00 H ATOM 818 HG21 THR A 54 12.274 4.709 -1.040 1.00 0.00 H ATOM 819 HG22 THR A 54 13.763 5.600 -0.720 1.00 0.00 H ATOM 820 HG23 THR A 54 12.758 6.030 -2.104 1.00 0.00 H ATOM 821 N SER A 55 12.330 1.583 -0.956 1.00 0.00 N ATOM 822 CA SER A 55 11.252 1.160 -0.071 1.00 0.00 C ATOM 823 C SER A 55 10.271 2.302 0.175 1.00 0.00 C ATOM 824 O SER A 55 10.565 3.234 0.923 1.00 0.00 O ATOM 825 CB SER A 55 11.823 0.666 1.258 1.00 0.00 C ATOM 826 OG SER A 55 13.094 0.068 1.075 1.00 0.00 O ATOM 827 H SER A 55 12.458 1.119 -1.810 1.00 0.00 H ATOM 828 HA SER A 55 10.728 0.347 -0.552 1.00 0.00 H ATOM 829 HB2 SER A 55 11.927 1.501 1.935 1.00 0.00 H ATOM 830 HB3 SER A 55 11.153 -0.064 1.687 1.00 0.00 H ATOM 831 HG SER A 55 13.730 0.739 0.815 1.00 0.00 H ATOM 832 N GLU A 56 9.105 2.223 -0.461 1.00 0.00 N ATOM 833 CA GLU A 56 8.079 3.251 -0.313 1.00 0.00 C ATOM 834 C GLU A 56 6.711 2.722 -0.736 1.00 0.00 C ATOM 835 O GLU A 56 5.688 3.091 -0.159 1.00 0.00 O ATOM 836 CB GLU A 56 8.440 4.487 -1.141 1.00 0.00 C ATOM 837 CG GLU A 56 9.232 4.167 -2.397 1.00 0.00 C ATOM 838 CD GLU A 56 9.886 5.393 -3.004 1.00 0.00 C ATOM 839 OE1 GLU A 56 9.990 6.420 -2.301 1.00 0.00 O ATOM 840 OE2 GLU A 56 10.295 5.325 -4.182 1.00 0.00 O ATOM 841 H GLU A 56 8.932 1.456 -1.044 1.00 0.00 H ATOM 842 HA GLU A 56 8.036 3.529 0.729 1.00 0.00 H ATOM 843 HB2 GLU A 56 7.529 4.989 -1.435 1.00 0.00 H ATOM 844 HB3 GLU A 56 9.029 5.156 -0.531 1.00 0.00 H ATOM 845 HG2 GLU A 56 10.003 3.453 -2.149 1.00 0.00 H ATOM 846 HG3 GLU A 56 8.564 3.735 -3.128 1.00 0.00 H ATOM 847 N SER A 57 6.699 1.855 -1.746 1.00 0.00 N ATOM 848 CA SER A 57 5.455 1.276 -2.244 1.00 0.00 C ATOM 849 C SER A 57 4.860 0.301 -1.231 1.00 0.00 C ATOM 850 O SER A 57 4.685 -0.883 -1.522 1.00 0.00 O ATOM 851 CB SER A 57 5.695 0.561 -3.575 1.00 0.00 C ATOM 852 OG SER A 57 6.399 -0.655 -3.383 1.00 0.00 O ATOM 853 H SER A 57 7.546 1.599 -2.167 1.00 0.00 H ATOM 854 HA SER A 57 4.755 2.083 -2.401 1.00 0.00 H ATOM 855 HB2 SER A 57 4.746 0.341 -4.040 1.00 0.00 H ATOM 856 HB3 SER A 57 6.274 1.200 -4.226 1.00 0.00 H ATOM 857 HG SER A 57 6.504 -0.818 -2.443 1.00 0.00 H ATOM 858 N THR A 58 4.550 0.806 -0.042 1.00 0.00 N ATOM 859 CA THR A 58 3.972 -0.018 1.014 1.00 0.00 C ATOM 860 C THR A 58 2.628 -0.592 0.579 1.00 0.00 C ATOM 861 O THR A 58 1.871 0.057 -0.143 1.00 0.00 O ATOM 862 CB THR A 58 3.802 0.806 2.290 1.00 0.00 C ATOM 863 OG1 THR A 58 3.841 2.191 1.998 1.00 0.00 O ATOM 864 CG2 THR A 58 4.866 0.528 3.330 1.00 0.00 C ATOM 865 H THR A 58 4.712 1.757 0.130 1.00 0.00 H ATOM 866 HA THR A 58 4.653 -0.833 1.209 1.00 0.00 H ATOM 867 HB THR A 58 2.842 0.579 2.730 1.00 0.00 H ATOM 868 HG1 THR A 58 4.720 2.532 2.176 1.00 0.00 H ATOM 869 HG21 THR A 58 5.403 -0.370 3.063 1.00 0.00 H ATOM 870 HG22 THR A 58 5.554 1.359 3.374 1.00 0.00 H ATOM 871 HG23 THR A 58 4.400 0.395 4.296 1.00 0.00 H ATOM 872 N CYS A 59 2.336 -1.813 1.017 1.00 0.00 N ATOM 873 CA CYS A 59 1.080 -2.466 0.662 1.00 0.00 C ATOM 874 C CYS A 59 0.188 -2.659 1.882 1.00 0.00 C ATOM 875 O CYS A 59 0.583 -3.290 2.861 1.00 0.00 O ATOM 876 CB CYS A 59 1.350 -3.814 -0.018 1.00 0.00 C ATOM 877 SG CYS A 59 1.386 -5.240 1.119 1.00 0.00 S ATOM 878 H CYS A 59 2.978 -2.285 1.587 1.00 0.00 H ATOM 879 HA CYS A 59 0.567 -1.822 -0.031 1.00 0.00 H ATOM 880 HB2 CYS A 59 0.577 -4.000 -0.749 1.00 0.00 H ATOM 881 HB3 CYS A 59 2.306 -3.769 -0.519 1.00 0.00 H ATOM 882 N CYS A 60 -1.024 -2.115 1.811 1.00 0.00 N ATOM 883 CA CYS A 60 -1.976 -2.231 2.907 1.00 0.00 C ATOM 884 C CYS A 60 -3.128 -3.151 2.530 1.00 0.00 C ATOM 885 O CYS A 60 -4.296 -2.783 2.652 1.00 0.00 O ATOM 886 CB CYS A 60 -2.523 -0.859 3.299 1.00 0.00 C ATOM 887 SG CYS A 60 -1.589 0.547 2.617 1.00 0.00 S ATOM 888 H CYS A 60 -1.283 -1.628 1.000 1.00 0.00 H ATOM 889 HA CYS A 60 -1.456 -2.656 3.748 1.00 0.00 H ATOM 890 HB2 CYS A 60 -3.541 -0.774 2.950 1.00 0.00 H ATOM 891 HB3 CYS A 60 -2.510 -0.771 4.376 1.00 0.00 H ATOM 892 N VAL A 61 -2.790 -4.348 2.073 1.00 0.00 N ATOM 893 CA VAL A 61 -3.796 -5.325 1.678 1.00 0.00 C ATOM 894 C VAL A 61 -4.895 -5.438 2.729 1.00 0.00 C ATOM 895 O VAL A 61 -4.825 -6.283 3.620 1.00 0.00 O ATOM 896 CB VAL A 61 -3.175 -6.717 1.451 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.562 -6.808 0.062 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.137 -7.026 2.522 1.00 0.00 C ATOM 899 H VAL A 61 -1.840 -4.579 2.001 1.00 0.00 H ATOM 900 HA VAL A 61 -4.233 -4.993 0.748 1.00 0.00 H ATOM 901 HB VAL A 61 -3.961 -7.455 1.520 1.00 0.00 H ATOM 902 HG11 VAL A 61 -2.235 -5.827 -0.251 1.00 0.00 H ATOM 903 HG12 VAL A 61 -1.716 -7.479 0.085 1.00 0.00 H ATOM 904 HG13 VAL A 61 -3.299 -7.180 -0.633 1.00 0.00 H ATOM 905 HG21 VAL A 61 -1.447 -6.200 2.604 1.00 0.00 H ATOM 906 HG22 VAL A 61 -2.632 -7.178 3.470 1.00 0.00 H ATOM 907 HG23 VAL A 61 -1.596 -7.920 2.251 1.00 0.00 H ATOM 908 N ALA A 62 -5.910 -4.579 2.610 1.00 0.00 N ATOM 909 CA ALA A 62 -7.040 -4.570 3.541 1.00 0.00 C ATOM 910 C ALA A 62 -6.905 -5.654 4.606 1.00 0.00 C ATOM 911 O ALA A 62 -7.010 -6.844 4.310 1.00 0.00 O ATOM 912 CB ALA A 62 -8.342 -4.743 2.776 1.00 0.00 C ATOM 913 H ALA A 62 -5.901 -3.934 1.872 1.00 0.00 H ATOM 914 HA ALA A 62 -7.070 -3.606 4.028 1.00 0.00 H ATOM 915 HB1 ALA A 62 -8.425 -5.763 2.431 1.00 0.00 H ATOM 916 HB2 ALA A 62 -9.174 -4.513 3.426 1.00 0.00 H ATOM 917 HB3 ALA A 62 -8.352 -4.074 1.928 1.00 0.00 H ATOM 918 N LYS A 63 -6.692 -5.235 5.849 1.00 0.00 N ATOM 919 CA LYS A 63 -6.566 -6.170 6.954 1.00 0.00 C ATOM 920 C LYS A 63 -7.805 -7.039 7.005 1.00 0.00 C ATOM 921 O LYS A 63 -7.754 -8.220 7.353 1.00 0.00 O ATOM 922 CB LYS A 63 -6.412 -5.412 8.269 1.00 0.00 C ATOM 923 CG LYS A 63 -5.915 -6.279 9.411 1.00 0.00 C ATOM 924 CD LYS A 63 -6.054 -5.573 10.751 1.00 0.00 C ATOM 925 CE LYS A 63 -5.034 -6.080 11.759 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.566 -6.049 13.151 1.00 0.00 N ATOM 927 H LYS A 63 -6.639 -4.276 6.028 1.00 0.00 H ATOM 928 HA LYS A 63 -5.697 -6.787 6.786 1.00 0.00 H ATOM 929 HB2 LYS A 63 -5.714 -4.601 8.125 1.00 0.00 H ATOM 930 HB3 LYS A 63 -7.372 -5.003 8.547 1.00 0.00 H ATOM 931 HG2 LYS A 63 -6.495 -7.190 9.432 1.00 0.00 H ATOM 932 HG3 LYS A 63 -4.875 -6.514 9.241 1.00 0.00 H ATOM 933 HD2 LYS A 63 -5.904 -4.513 10.606 1.00 0.00 H ATOM 934 HD3 LYS A 63 -7.047 -5.749 11.137 1.00 0.00 H ATOM 935 HE2 LYS A 63 -4.771 -7.096 11.507 1.00 0.00 H ATOM 936 HE3 LYS A 63 -4.153 -5.456 11.706 1.00 0.00 H ATOM 937 HZ1 LYS A 63 -6.598 -5.924 13.136 1.00 0.00 H ATOM 938 HZ2 LYS A 63 -5.343 -6.941 13.639 1.00 0.00 H ATOM 939 HZ3 LYS A 63 -5.141 -5.261 13.679 1.00 0.00 H ATOM 940 N SER A 64 -8.915 -6.428 6.629 1.00 0.00 N ATOM 941 CA SER A 64 -10.198 -7.098 6.590 1.00 0.00 C ATOM 942 C SER A 64 -10.984 -6.586 5.391 1.00 0.00 C ATOM 943 O SER A 64 -10.806 -5.442 4.971 1.00 0.00 O ATOM 944 CB SER A 64 -10.973 -6.857 7.886 1.00 0.00 C ATOM 945 OG SER A 64 -10.934 -7.999 8.723 1.00 0.00 O ATOM 946 H SER A 64 -8.864 -5.487 6.352 1.00 0.00 H ATOM 947 HA SER A 64 -10.014 -8.155 6.471 1.00 0.00 H ATOM 948 HB2 SER A 64 -10.535 -6.024 8.416 1.00 0.00 H ATOM 949 HB3 SER A 64 -12.003 -6.633 7.650 1.00 0.00 H ATOM 950 HG SER A 64 -10.510 -7.773 9.554 1.00 0.00 H ATOM 951 N TYR A 65 -11.827 -7.430 4.819 1.00 0.00 N ATOM 952 CA TYR A 65 -12.592 -7.031 3.646 1.00 0.00 C ATOM 953 C TYR A 65 -14.062 -7.374 3.771 1.00 0.00 C ATOM 954 O TYR A 65 -14.447 -8.282 4.509 1.00 0.00 O ATOM 955 CB TYR A 65 -12.040 -7.730 2.403 1.00 0.00 C ATOM 956 CG TYR A 65 -11.684 -9.180 2.636 1.00 0.00 C ATOM 957 CD1 TYR A 65 -10.516 -9.529 3.303 1.00 0.00 C ATOM 958 CD2 TYR A 65 -12.516 -10.200 2.193 1.00 0.00 C ATOM 959 CE1 TYR A 65 -10.187 -10.853 3.519 1.00 0.00 C ATOM 960 CE2 TYR A 65 -12.194 -11.527 2.407 1.00 0.00 C ATOM 961 CZ TYR A 65 -11.029 -11.847 3.071 1.00 0.00 C ATOM 962 OH TYR A 65 -10.705 -13.166 3.287 1.00 0.00 O ATOM 963 H TYR A 65 -11.921 -8.339 5.173 1.00 0.00 H ATOM 964 HA TYR A 65 -12.488 -5.961 3.524 1.00 0.00 H ATOM 965 HB2 TYR A 65 -12.784 -7.696 1.617 1.00 0.00 H ATOM 966 HB3 TYR A 65 -11.151 -7.219 2.075 1.00 0.00 H ATOM 967 HD1 TYR A 65 -9.859 -8.748 3.654 1.00 0.00 H ATOM 968 HD2 TYR A 65 -13.428 -9.946 1.673 1.00 0.00 H ATOM 969 HE1 TYR A 65 -9.275 -11.104 4.039 1.00 0.00 H ATOM 970 HE2 TYR A 65 -12.854 -12.306 2.054 1.00 0.00 H ATOM 971 HH TYR A 65 -10.780 -13.653 2.463 1.00 0.00 H ATOM 972 N ASN A 66 -14.873 -6.675 2.991 1.00 0.00 N ATOM 973 CA ASN A 66 -16.302 -6.943 2.953 1.00 0.00 C ATOM 974 C ASN A 66 -16.698 -7.096 1.509 1.00 0.00 C ATOM 975 O ASN A 66 -17.820 -6.810 1.093 1.00 0.00 O ATOM 976 CB ASN A 66 -17.101 -5.842 3.626 1.00 0.00 C ATOM 977 CG ASN A 66 -17.959 -6.355 4.764 1.00 0.00 C ATOM 978 OD1 ASN A 66 -17.606 -7.322 5.439 1.00 0.00 O ATOM 979 ND2 ASN A 66 -19.097 -5.707 4.977 1.00 0.00 N ATOM 980 H ASN A 66 -14.488 -5.986 2.381 1.00 0.00 H ATOM 981 HA ASN A 66 -16.471 -7.880 3.454 1.00 0.00 H ATOM 982 HB2 ASN A 66 -16.421 -5.103 4.014 1.00 0.00 H ATOM 983 HB3 ASN A 66 -17.747 -5.388 2.892 1.00 0.00 H ATOM 984 HD21 ASN A 66 -19.312 -4.947 4.395 1.00 0.00 H ATOM 985 HD22 ASN A 66 -19.676 -6.014 5.704 1.00 0.00 H ATOM 986 N ARG A 67 -15.711 -7.553 0.776 1.00 0.00 N ATOM 987 CA ARG A 67 -15.795 -7.797 -0.652 1.00 0.00 C ATOM 988 C ARG A 67 -17.203 -7.630 -1.194 1.00 0.00 C ATOM 989 O ARG A 67 -18.165 -8.199 -0.676 1.00 0.00 O ATOM 990 CB ARG A 67 -15.270 -9.194 -0.950 1.00 0.00 C ATOM 991 CG ARG A 67 -14.364 -9.263 -2.163 1.00 0.00 C ATOM 992 CD ARG A 67 -14.762 -10.408 -3.079 1.00 0.00 C ATOM 993 NE ARG A 67 -14.205 -11.681 -2.634 1.00 0.00 N ATOM 994 CZ ARG A 67 -12.949 -12.050 -2.859 1.00 0.00 C ATOM 995 NH1 ARG A 67 -12.132 -11.244 -3.522 1.00 0.00 N ATOM 996 NH2 ARG A 67 -12.510 -13.223 -2.423 1.00 0.00 N ATOM 997 H ARG A 67 -14.869 -7.737 1.233 1.00 0.00 H ATOM 998 HA ARG A 67 -15.157 -7.080 -1.142 1.00 0.00 H ATOM 999 HB2 ARG A 67 -14.708 -9.539 -0.094 1.00 0.00 H ATOM 1000 HB3 ARG A 67 -16.107 -9.851 -1.112 1.00 0.00 H ATOM 1001 HG2 ARG A 67 -14.436 -8.333 -2.708 1.00 0.00 H ATOM 1002 HG3 ARG A 67 -13.346 -9.412 -1.832 1.00 0.00 H ATOM 1003 HD2 ARG A 67 -15.840 -10.484 -3.091 1.00 0.00 H ATOM 1004 HD3 ARG A 67 -14.405 -10.198 -4.076 1.00 0.00 H ATOM 1005 HE ARG A 67 -14.796 -12.289 -2.141 1.00 0.00 H ATOM 1006 HH11 ARG A 67 -12.462 -10.358 -3.849 1.00 0.00 H ATOM 1007 HH12 ARG A 67 -11.186 -11.520 -3.693 1.00 0.00 H ATOM 1008 HH21 ARG A 67 -13.124 -13.833 -1.920 1.00 0.00 H ATOM 1009 HH22 ARG A 67 -11.565 -13.499 -2.596 1.00 0.00 H ATOM 1010 N VAL A 68 -17.298 -6.847 -2.255 1.00 0.00 N ATOM 1011 CA VAL A 68 -18.565 -6.577 -2.916 1.00 0.00 C ATOM 1012 C VAL A 68 -18.381 -6.588 -4.424 1.00 0.00 C ATOM 1013 O VAL A 68 -18.804 -5.666 -5.121 1.00 0.00 O ATOM 1014 CB VAL A 68 -19.139 -5.212 -2.492 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -19.123 -5.067 -0.977 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -18.360 -4.078 -3.151 1.00 0.00 C ATOM 1017 H VAL A 68 -16.481 -6.442 -2.611 1.00 0.00 H ATOM 1018 HA VAL A 68 -19.262 -7.351 -2.641 1.00 0.00 H ATOM 1019 HB VAL A 68 -20.166 -5.156 -2.826 1.00 0.00 H ATOM 1020 HG11 VAL A 68 -18.867 -6.011 -0.525 1.00 0.00 H ATOM 1021 HG12 VAL A 68 -18.394 -4.324 -0.697 1.00 0.00 H ATOM 1022 HG13 VAL A 68 -20.100 -4.756 -0.634 1.00 0.00 H ATOM 1023 HG21 VAL A 68 -17.715 -4.475 -3.918 1.00 0.00 H ATOM 1024 HG22 VAL A 68 -19.050 -3.379 -3.592 1.00 0.00 H ATOM 1025 HG23 VAL A 68 -17.762 -3.571 -2.409 1.00 0.00 H ATOM 1026 N THR A 69 -17.728 -7.632 -4.912 1.00 0.00 N ATOM 1027 CA THR A 69 -17.455 -7.775 -6.333 1.00 0.00 C ATOM 1028 C THR A 69 -18.422 -6.952 -7.173 1.00 0.00 C ATOM 1029 O THR A 69 -19.633 -7.171 -7.151 1.00 0.00 O ATOM 1030 CB THR A 69 -17.521 -9.236 -6.762 1.00 0.00 C ATOM 1031 OG1 THR A 69 -16.389 -9.951 -6.294 1.00 0.00 O ATOM 1032 CG2 THR A 69 -17.584 -9.394 -8.264 1.00 0.00 C ATOM 1033 H THR A 69 -17.410 -8.319 -4.296 1.00 0.00 H ATOM 1034 HA THR A 69 -16.454 -7.409 -6.506 1.00 0.00 H ATOM 1035 HB THR A 69 -18.408 -9.688 -6.343 1.00 0.00 H ATOM 1036 HG1 THR A 69 -16.164 -10.643 -6.922 1.00 0.00 H ATOM 1037 HG21 THR A 69 -17.193 -8.501 -8.734 1.00 0.00 H ATOM 1038 HG22 THR A 69 -16.994 -10.246 -8.563 1.00 0.00 H ATOM 1039 HG23 THR A 69 -18.610 -9.538 -8.568 1.00 0.00 H ATOM 1040 N VAL A 70 -17.867 -6.009 -7.913 1.00 0.00 N ATOM 1041 CA VAL A 70 -18.659 -5.139 -8.774 1.00 0.00 C ATOM 1042 C VAL A 70 -18.381 -5.397 -10.240 1.00 0.00 C ATOM 1043 O VAL A 70 -17.814 -6.421 -10.619 1.00 0.00 O ATOM 1044 CB VAL A 70 -18.391 -3.648 -8.510 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -19.680 -2.927 -8.142 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -17.339 -3.462 -7.428 1.00 0.00 C ATOM 1047 H VAL A 70 -16.896 -5.899 -7.878 1.00 0.00 H ATOM 1048 HA VAL A 70 -19.701 -5.330 -8.585 1.00 0.00 H ATOM 1049 HB VAL A 70 -18.016 -3.216 -9.429 1.00 0.00 H ATOM 1050 HG11 VAL A 70 -20.312 -3.591 -7.572 1.00 0.00 H ATOM 1051 HG12 VAL A 70 -19.449 -2.053 -7.551 1.00 0.00 H ATOM 1052 HG13 VAL A 70 -20.194 -2.627 -9.043 1.00 0.00 H ATOM 1053 HG21 VAL A 70 -16.457 -4.029 -7.681 1.00 0.00 H ATOM 1054 HG22 VAL A 70 -17.084 -2.415 -7.352 1.00 0.00 H ATOM 1055 HG23 VAL A 70 -17.730 -3.806 -6.481 1.00 0.00 H ATOM 1056 N MET A 71 -18.802 -4.441 -11.050 1.00 0.00 N ATOM 1057 CA MET A 71 -18.632 -4.508 -12.492 1.00 0.00 C ATOM 1058 C MET A 71 -17.429 -5.363 -12.880 1.00 0.00 C ATOM 1059 O MET A 71 -16.429 -5.409 -12.164 1.00 0.00 O ATOM 1060 CB MET A 71 -18.482 -3.104 -13.077 1.00 0.00 C ATOM 1061 CG MET A 71 -17.587 -2.193 -12.254 1.00 0.00 C ATOM 1062 SD MET A 71 -16.126 -1.652 -13.160 1.00 0.00 S ATOM 1063 CE MET A 71 -15.838 -0.053 -12.408 1.00 0.00 C ATOM 1064 H MET A 71 -19.252 -3.664 -10.661 1.00 0.00 H ATOM 1065 HA MET A 71 -19.519 -4.956 -12.891 1.00 0.00 H ATOM 1066 HB2 MET A 71 -18.061 -3.184 -14.068 1.00 0.00 H ATOM 1067 HB3 MET A 71 -19.459 -2.649 -13.145 1.00 0.00 H ATOM 1068 HG2 MET A 71 -18.154 -1.323 -11.962 1.00 0.00 H ATOM 1069 HG3 MET A 71 -17.269 -2.726 -11.370 1.00 0.00 H ATOM 1070 HE1 MET A 71 -16.296 -0.028 -11.430 1.00 0.00 H ATOM 1071 HE2 MET A 71 -14.776 0.114 -12.313 1.00 0.00 H ATOM 1072 HE3 MET A 71 -16.270 0.719 -13.028 1.00 0.00 H ATOM 1073 N GLY A 72 -17.534 -6.036 -14.022 1.00 0.00 N ATOM 1074 CA GLY A 72 -16.450 -6.879 -14.489 1.00 0.00 C ATOM 1075 C GLY A 72 -15.937 -7.805 -13.405 1.00 0.00 C ATOM 1076 O GLY A 72 -14.804 -8.282 -13.470 1.00 0.00 O ATOM 1077 H GLY A 72 -18.355 -5.960 -14.552 1.00 0.00 H ATOM 1078 HA2 GLY A 72 -16.800 -7.473 -15.320 1.00 0.00 H ATOM 1079 HA3 GLY A 72 -15.638 -6.251 -14.825 1.00 0.00 H ATOM 1080 N GLY A 73 -16.773 -8.054 -12.403 1.00 0.00 N ATOM 1081 CA GLY A 73 -16.382 -8.922 -11.311 1.00 0.00 C ATOM 1082 C GLY A 73 -15.330 -8.288 -10.422 1.00 0.00 C ATOM 1083 O GLY A 73 -14.436 -8.973 -9.924 1.00 0.00 O ATOM 1084 H GLY A 73 -17.663 -7.643 -12.405 1.00 0.00 H ATOM 1085 HA2 GLY A 73 -17.254 -9.149 -10.715 1.00 0.00 H ATOM 1086 HA3 GLY A 73 -15.987 -9.840 -11.719 1.00 0.00 H ATOM 1087 N PHE A 74 -15.437 -6.977 -10.219 1.00 0.00 N ATOM 1088 CA PHE A 74 -14.485 -6.257 -9.382 1.00 0.00 C ATOM 1089 C PHE A 74 -14.361 -6.926 -8.021 1.00 0.00 C ATOM 1090 O PHE A 74 -15.089 -7.870 -7.718 1.00 0.00 O ATOM 1091 CB PHE A 74 -14.918 -4.798 -9.203 1.00 0.00 C ATOM 1092 CG PHE A 74 -14.151 -3.833 -10.062 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -13.987 -4.072 -11.416 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -13.596 -2.687 -9.515 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -13.284 -3.187 -12.210 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -12.892 -1.797 -10.304 1.00 0.00 C ATOM 1097 CZ PHE A 74 -12.735 -2.048 -11.653 1.00 0.00 C ATOM 1098 H PHE A 74 -16.172 -6.485 -10.641 1.00 0.00 H ATOM 1099 HA PHE A 74 -13.524 -6.282 -9.873 1.00 0.00 H ATOM 1100 HB2 PHE A 74 -15.965 -4.704 -9.451 1.00 0.00 H ATOM 1101 HB3 PHE A 74 -14.773 -4.511 -8.170 1.00 0.00 H ATOM 1102 HD1 PHE A 74 -14.415 -4.963 -11.852 1.00 0.00 H ATOM 1103 HD2 PHE A 74 -13.717 -2.490 -8.459 1.00 0.00 H ATOM 1104 HE1 PHE A 74 -13.163 -3.385 -13.264 1.00 0.00 H ATOM 1105 HE2 PHE A 74 -12.464 -0.907 -9.866 1.00 0.00 H ATOM 1106 HZ PHE A 74 -12.186 -1.354 -12.272 1.00 0.00 H ATOM 1107 N LYS A 75 -13.441 -6.427 -7.203 1.00 0.00 N ATOM 1108 CA LYS A 75 -13.227 -6.971 -5.867 1.00 0.00 C ATOM 1109 C LYS A 75 -12.641 -5.913 -4.942 1.00 0.00 C ATOM 1110 O LYS A 75 -11.423 -5.762 -4.843 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.296 -8.184 -5.913 1.00 0.00 C ATOM 1112 CG LYS A 75 -12.690 -9.230 -6.943 1.00 0.00 C ATOM 1113 CD LYS A 75 -11.850 -9.114 -8.204 1.00 0.00 C ATOM 1114 CE LYS A 75 -10.771 -10.184 -8.251 1.00 0.00 C ATOM 1115 NZ LYS A 75 -11.351 -11.552 -8.336 1.00 0.00 N ATOM 1116 H LYS A 75 -12.896 -5.670 -7.503 1.00 0.00 H ATOM 1117 HA LYS A 75 -14.189 -7.278 -5.476 1.00 0.00 H ATOM 1118 HB2 LYS A 75 -11.297 -7.845 -6.143 1.00 0.00 H ATOM 1119 HB3 LYS A 75 -12.292 -8.653 -4.940 1.00 0.00 H ATOM 1120 HG2 LYS A 75 -12.546 -10.212 -6.518 1.00 0.00 H ATOM 1121 HG3 LYS A 75 -13.728 -9.097 -7.198 1.00 0.00 H ATOM 1122 HD2 LYS A 75 -12.491 -9.225 -9.064 1.00 0.00 H ATOM 1123 HD3 LYS A 75 -11.382 -8.140 -8.224 1.00 0.00 H ATOM 1124 HE2 LYS A 75 -10.149 -10.012 -9.118 1.00 0.00 H ATOM 1125 HE3 LYS A 75 -10.171 -10.111 -7.357 1.00 0.00 H ATOM 1126 HZ1 LYS A 75 -12.092 -11.672 -7.616 1.00 0.00 H ATOM 1127 HZ2 LYS A 75 -11.769 -11.706 -9.276 1.00 0.00 H ATOM 1128 HZ3 LYS A 75 -10.611 -12.265 -8.176 1.00 0.00 H ATOM 1129 N VAL A 76 -13.518 -5.189 -4.262 1.00 0.00 N ATOM 1130 CA VAL A 76 -13.101 -4.145 -3.335 1.00 0.00 C ATOM 1131 C VAL A 76 -12.948 -4.700 -1.960 1.00 0.00 C ATOM 1132 O VAL A 76 -12.840 -3.954 -0.986 1.00 0.00 O ATOM 1133 CB VAL A 76 -14.153 -3.025 -3.261 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -14.292 -2.347 -4.612 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -15.467 -3.657 -2.836 1.00 0.00 C ATOM 1136 H VAL A 76 -14.476 -5.362 -4.384 1.00 0.00 H ATOM 1137 HA VAL A 76 -12.172 -3.765 -3.658 1.00 0.00 H ATOM 1138 HB VAL A 76 -13.867 -2.272 -2.503 1.00 0.00 H ATOM 1139 HG11 VAL A 76 -13.347 -2.385 -5.133 1.00 0.00 H ATOM 1140 HG12 VAL A 76 -15.044 -2.859 -5.192 1.00 0.00 H ATOM 1141 HG13 VAL A 76 -14.584 -1.320 -4.470 1.00 0.00 H ATOM 1142 HG21 VAL A 76 -15.332 -4.723 -2.724 1.00 0.00 H ATOM 1143 HG22 VAL A 76 -15.786 -3.237 -1.895 1.00 0.00 H ATOM 1144 HG23 VAL A 76 -16.215 -3.471 -3.590 1.00 0.00 H ATOM 1145 N GLU A 77 -12.975 -6.011 -1.886 1.00 0.00 N ATOM 1146 CA GLU A 77 -12.890 -6.688 -0.598 1.00 0.00 C ATOM 1147 C GLU A 77 -13.398 -5.698 0.426 1.00 0.00 C ATOM 1148 O GLU A 77 -12.806 -5.503 1.485 1.00 0.00 O ATOM 1149 CB GLU A 77 -11.445 -7.094 -0.296 1.00 0.00 C ATOM 1150 CG GLU A 77 -10.472 -6.761 -1.413 1.00 0.00 C ATOM 1151 CD GLU A 77 -10.465 -7.808 -2.510 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -11.131 -8.850 -2.340 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -9.793 -7.585 -3.539 1.00 0.00 O ATOM 1154 H GLU A 77 -13.075 -6.512 -2.713 1.00 0.00 H ATOM 1155 HA GLU A 77 -13.530 -7.552 -0.617 1.00 0.00 H ATOM 1156 HB2 GLU A 77 -11.119 -6.580 0.593 1.00 0.00 H ATOM 1157 HB3 GLU A 77 -11.409 -8.159 -0.122 1.00 0.00 H ATOM 1158 HG2 GLU A 77 -10.751 -5.811 -1.843 1.00 0.00 H ATOM 1159 HG3 GLU A 77 -9.478 -6.688 -0.996 1.00 0.00 H ATOM 1160 N ASN A 78 -14.469 -5.009 0.017 1.00 0.00 N ATOM 1161 CA ASN A 78 -15.051 -3.927 0.784 1.00 0.00 C ATOM 1162 C ASN A 78 -14.271 -3.744 2.061 1.00 0.00 C ATOM 1163 O ASN A 78 -14.727 -4.051 3.163 1.00 0.00 O ATOM 1164 CB ASN A 78 -16.532 -4.098 1.052 1.00 0.00 C ATOM 1165 CG ASN A 78 -17.082 -2.792 1.562 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -16.952 -1.760 0.908 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -17.696 -2.825 2.720 1.00 0.00 N ATOM 1168 H ASN A 78 -14.827 -5.205 -0.853 1.00 0.00 H ATOM 1169 HA ASN A 78 -14.922 -3.029 0.181 1.00 0.00 H ATOM 1170 HB2 ASN A 78 -17.038 -4.368 0.139 1.00 0.00 H ATOM 1171 HB3 ASN A 78 -16.682 -4.855 1.795 1.00 0.00 H ATOM 1172 N HIS A 79 -13.052 -3.291 1.858 1.00 0.00 N ATOM 1173 CA HIS A 79 -12.093 -3.096 2.918 1.00 0.00 C ATOM 1174 C HIS A 79 -12.670 -2.501 4.174 1.00 0.00 C ATOM 1175 O HIS A 79 -13.160 -1.377 4.207 1.00 0.00 O ATOM 1176 CB HIS A 79 -10.934 -2.261 2.412 1.00 0.00 C ATOM 1177 CG HIS A 79 -10.289 -2.910 1.252 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -9.281 -2.359 0.512 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -10.576 -4.097 0.688 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -8.990 -3.212 -0.479 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -9.750 -4.291 -0.415 1.00 0.00 N ATOM 1182 H HIS A 79 -12.770 -3.117 0.936 1.00 0.00 H ATOM 1183 HA HIS A 79 -11.714 -4.071 3.164 1.00 0.00 H ATOM 1184 HB2 HIS A 79 -11.299 -1.297 2.100 1.00 0.00 H ATOM 1185 HB3 HIS A 79 -10.198 -2.143 3.193 1.00 0.00 H ATOM 1186 HD1 HIS A 79 -8.847 -1.499 0.684 1.00 0.00 H ATOM 1187 HD2 HIS A 79 -11.329 -4.787 1.042 1.00 0.00 H ATOM 1188 HE1 HIS A 79 -8.251 -3.030 -1.243 1.00 0.00 H ATOM 1189 N THR A 80 -12.555 -3.278 5.219 1.00 0.00 N ATOM 1190 CA THR A 80 -13.003 -2.869 6.533 1.00 0.00 C ATOM 1191 C THR A 80 -11.792 -2.495 7.368 1.00 0.00 C ATOM 1192 O THR A 80 -11.901 -1.822 8.393 1.00 0.00 O ATOM 1193 CB THR A 80 -13.792 -3.990 7.186 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.950 -4.808 7.978 1.00 0.00 O ATOM 1195 CG2 THR A 80 -14.470 -4.866 6.166 1.00 0.00 C ATOM 1196 H THR A 80 -12.123 -4.155 5.101 1.00 0.00 H ATOM 1197 HA THR A 80 -13.636 -2.004 6.417 1.00 0.00 H ATOM 1198 HB THR A 80 -14.556 -3.564 7.821 1.00 0.00 H ATOM 1199 HG1 THR A 80 -12.062 -4.801 7.614 1.00 0.00 H ATOM 1200 HG21 THR A 80 -15.048 -4.247 5.494 1.00 0.00 H ATOM 1201 HG22 THR A 80 -13.720 -5.403 5.605 1.00 0.00 H ATOM 1202 HG23 THR A 80 -15.120 -5.564 6.665 1.00 0.00 H ATOM 1203 N ALA A 81 -10.627 -2.931 6.895 1.00 0.00 N ATOM 1204 CA ALA A 81 -9.368 -2.643 7.560 1.00 0.00 C ATOM 1205 C ALA A 81 -8.223 -2.721 6.557 1.00 0.00 C ATOM 1206 O ALA A 81 -8.255 -3.542 5.643 1.00 0.00 O ATOM 1207 CB ALA A 81 -9.145 -3.609 8.714 1.00 0.00 C ATOM 1208 H ALA A 81 -10.613 -3.460 6.058 1.00 0.00 H ATOM 1209 HA ALA A 81 -9.420 -1.640 7.959 1.00 0.00 H ATOM 1210 HB1 ALA A 81 -9.920 -3.470 9.454 1.00 0.00 H ATOM 1211 HB2 ALA A 81 -8.181 -3.419 9.162 1.00 0.00 H ATOM 1212 HB3 ALA A 81 -9.178 -4.623 8.344 1.00 0.00 H ATOM 1213 N CYS A 82 -7.220 -1.864 6.721 1.00 0.00 N ATOM 1214 CA CYS A 82 -6.074 -1.848 5.814 1.00 0.00 C ATOM 1215 C CYS A 82 -4.767 -1.703 6.591 1.00 0.00 C ATOM 1216 O CYS A 82 -4.607 -0.777 7.387 1.00 0.00 O ATOM 1217 CB CYS A 82 -6.214 -0.710 4.798 1.00 0.00 C ATOM 1218 SG CYS A 82 -6.957 -1.219 3.211 1.00 0.00 S ATOM 1219 H CYS A 82 -7.251 -1.225 7.464 1.00 0.00 H ATOM 1220 HA CYS A 82 -6.062 -2.788 5.282 1.00 0.00 H ATOM 1221 HB2 CYS A 82 -6.838 0.064 5.219 1.00 0.00 H ATOM 1222 HB3 CYS A 82 -5.235 -0.302 4.588 1.00 0.00 H ATOM 1223 N HIS A 83 -3.835 -2.624 6.359 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.545 -2.597 7.041 1.00 0.00 C ATOM 1225 C HIS A 83 -1.392 -2.646 6.045 1.00 0.00 C ATOM 1226 O HIS A 83 -1.130 -3.680 5.430 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.432 -3.765 8.017 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.357 -5.104 7.349 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -1.624 -6.158 7.855 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -2.926 -5.560 6.207 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -1.745 -7.201 7.053 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -2.530 -6.863 6.048 1.00 0.00 N ATOM 1233 H HIS A 83 -4.020 -3.338 5.715 1.00 0.00 H ATOM 1234 HA HIS A 83 -2.486 -1.674 7.596 1.00 0.00 H ATOM 1235 HB2 HIS A 83 -1.538 -3.639 8.610 1.00 0.00 H ATOM 1236 HB3 HIS A 83 -3.293 -3.762 8.667 1.00 0.00 H ATOM 1237 HD1 HIS A 83 -1.093 -6.143 8.680 1.00 0.00 H ATOM 1238 HD2 HIS A 83 -3.569 -5.001 5.544 1.00 0.00 H ATOM 1239 HE1 HIS A 83 -1.282 -8.165 7.195 1.00 0.00 H ATOM 1240 HE2 HIS A 83 -2.787 -7.451 5.307 1.00 0.00 H ATOM 1241 N CYS A 84 -0.704 -1.520 5.899 1.00 0.00 N ATOM 1242 CA CYS A 84 0.431 -1.419 4.982 1.00 0.00 C ATOM 1243 C CYS A 84 1.397 -2.580 5.183 1.00 0.00 C ATOM 1244 O CYS A 84 1.266 -3.351 6.134 1.00 0.00 O ATOM 1245 CB CYS A 84 1.164 -0.092 5.189 1.00 0.00 C ATOM 1246 SG CYS A 84 0.065 1.358 5.277 1.00 0.00 S ATOM 1247 H CYS A 84 -0.963 -0.737 6.429 1.00 0.00 H ATOM 1248 HA CYS A 84 0.047 -1.455 3.969 1.00 0.00 H ATOM 1249 HB2 CYS A 84 1.721 -0.138 6.113 1.00 0.00 H ATOM 1250 HB3 CYS A 84 1.850 0.063 4.369 1.00 0.00 H ATOM 1251 N SER A 85 2.365 -2.702 4.280 1.00 0.00 N ATOM 1252 CA SER A 85 3.350 -3.773 4.358 1.00 0.00 C ATOM 1253 C SER A 85 2.669 -5.135 4.325 1.00 0.00 C ATOM 1254 O SER A 85 1.490 -5.243 3.987 1.00 0.00 O ATOM 1255 CB SER A 85 4.181 -3.641 5.635 1.00 0.00 C ATOM 1256 OG SER A 85 5.453 -4.246 5.481 1.00 0.00 O ATOM 1257 H SER A 85 2.415 -2.058 3.541 1.00 0.00 H ATOM 1258 HA SER A 85 4.003 -3.687 3.502 1.00 0.00 H ATOM 1259 HB2 SER A 85 4.320 -2.596 5.866 1.00 0.00 H ATOM 1260 HB3 SER A 85 3.663 -4.124 6.451 1.00 0.00 H ATOM 1261 HG SER A 85 5.954 -3.772 4.814 1.00 0.00 H ATOM 1262 N THR A 86 3.416 -6.172 4.683 1.00 0.00 N ATOM 1263 CA THR A 86 2.882 -7.528 4.699 1.00 0.00 C ATOM 1264 C THR A 86 2.027 -7.792 3.463 1.00 0.00 C ATOM 1265 O THR A 86 0.852 -7.430 3.420 1.00 0.00 O ATOM 1266 CB THR A 86 2.056 -7.753 5.968 1.00 0.00 C ATOM 1267 OG1 THR A 86 0.670 -7.729 5.679 1.00 0.00 O ATOM 1268 CG2 THR A 86 2.318 -6.717 7.039 1.00 0.00 C ATOM 1269 H THR A 86 4.349 -6.022 4.945 1.00 0.00 H ATOM 1270 HA THR A 86 3.717 -8.212 4.699 1.00 0.00 H ATOM 1271 HB THR A 86 2.301 -8.722 6.378 1.00 0.00 H ATOM 1272 HG1 THR A 86 0.453 -8.456 5.091 1.00 0.00 H ATOM 1273 HG21 THR A 86 3.383 -6.559 7.132 1.00 0.00 H ATOM 1274 HG22 THR A 86 1.839 -5.789 6.766 1.00 0.00 H ATOM 1275 HG23 THR A 86 1.922 -7.064 7.982 1.00 0.00 H ATOM 1276 N CYS A 87 2.625 -8.428 2.462 1.00 0.00 N ATOM 1277 CA CYS A 87 1.917 -8.746 1.228 1.00 0.00 C ATOM 1278 C CYS A 87 2.061 -10.229 0.900 1.00 0.00 C ATOM 1279 O CYS A 87 2.733 -10.966 1.622 1.00 0.00 O ATOM 1280 CB CYS A 87 2.445 -7.891 0.073 1.00 0.00 C ATOM 1281 SG CYS A 87 3.064 -6.252 0.581 1.00 0.00 S ATOM 1282 H CYS A 87 3.564 -8.693 2.556 1.00 0.00 H ATOM 1283 HA CYS A 87 0.871 -8.524 1.380 1.00 0.00 H ATOM 1284 HB2 CYS A 87 3.258 -8.412 -0.409 1.00 0.00 H ATOM 1285 HB3 CYS A 87 1.650 -7.736 -0.642 1.00 0.00 H ATOM 1286 N TYR A 88 1.426 -10.667 -0.182 1.00 0.00 N ATOM 1287 CA TYR A 88 1.491 -12.070 -0.581 1.00 0.00 C ATOM 1288 C TYR A 88 2.822 -12.393 -1.253 1.00 0.00 C ATOM 1289 O TYR A 88 3.037 -13.509 -1.726 1.00 0.00 O ATOM 1290 CB TYR A 88 0.317 -12.422 -1.504 1.00 0.00 C ATOM 1291 CG TYR A 88 0.704 -12.618 -2.954 1.00 0.00 C ATOM 1292 CD1 TYR A 88 1.192 -13.838 -3.405 1.00 0.00 C ATOM 1293 CD2 TYR A 88 0.577 -11.584 -3.873 1.00 0.00 C ATOM 1294 CE1 TYR A 88 1.544 -14.022 -4.729 1.00 0.00 C ATOM 1295 CE2 TYR A 88 0.926 -11.759 -5.200 1.00 0.00 C ATOM 1296 CZ TYR A 88 1.408 -12.979 -5.622 1.00 0.00 C ATOM 1297 OH TYR A 88 1.757 -13.158 -6.942 1.00 0.00 O ATOM 1298 H TYR A 88 0.899 -10.038 -0.719 1.00 0.00 H ATOM 1299 HA TYR A 88 1.417 -12.659 0.315 1.00 0.00 H ATOM 1300 HB2 TYR A 88 -0.137 -13.338 -1.159 1.00 0.00 H ATOM 1301 HB3 TYR A 88 -0.414 -11.628 -1.460 1.00 0.00 H ATOM 1302 HD1 TYR A 88 1.297 -14.653 -2.704 1.00 0.00 H ATOM 1303 HD2 TYR A 88 0.199 -10.628 -3.540 1.00 0.00 H ATOM 1304 HE1 TYR A 88 1.921 -14.978 -5.060 1.00 0.00 H ATOM 1305 HE2 TYR A 88 0.820 -10.942 -5.898 1.00 0.00 H ATOM 1306 HH TYR A 88 2.138 -12.347 -7.285 1.00 0.00 H ATOM 1307 N TYR A 89 3.712 -11.411 -1.276 1.00 0.00 N ATOM 1308 CA TYR A 89 5.033 -11.577 -1.878 1.00 0.00 C ATOM 1309 C TYR A 89 5.741 -10.231 -2.004 1.00 0.00 C ATOM 1310 O TYR A 89 5.622 -9.550 -3.023 1.00 0.00 O ATOM 1311 CB TYR A 89 4.921 -12.233 -3.257 1.00 0.00 C ATOM 1312 CG TYR A 89 6.113 -13.091 -3.619 1.00 0.00 C ATOM 1313 CD1 TYR A 89 7.370 -12.822 -3.093 1.00 0.00 C ATOM 1314 CD2 TYR A 89 5.982 -14.169 -4.487 1.00 0.00 C ATOM 1315 CE1 TYR A 89 8.463 -13.603 -3.421 1.00 0.00 C ATOM 1316 CE2 TYR A 89 7.070 -14.955 -4.818 1.00 0.00 C ATOM 1317 CZ TYR A 89 8.308 -14.667 -4.283 1.00 0.00 C ATOM 1318 OH TYR A 89 9.393 -15.447 -4.610 1.00 0.00 O ATOM 1319 H TYR A 89 3.477 -10.554 -0.869 1.00 0.00 H ATOM 1320 HA TYR A 89 5.614 -12.216 -1.230 1.00 0.00 H ATOM 1321 HB2 TYR A 89 4.043 -12.860 -3.283 1.00 0.00 H ATOM 1322 HB3 TYR A 89 4.827 -11.462 -4.007 1.00 0.00 H ATOM 1323 HD1 TYR A 89 7.489 -11.988 -2.417 1.00 0.00 H ATOM 1324 HD2 TYR A 89 5.011 -14.392 -4.905 1.00 0.00 H ATOM 1325 HE1 TYR A 89 9.432 -13.377 -3.001 1.00 0.00 H ATOM 1326 HE2 TYR A 89 6.948 -15.787 -5.495 1.00 0.00 H ATOM 1327 HH TYR A 89 9.252 -15.846 -5.471 1.00 0.00 H ATOM 1328 N HIS A 90 6.476 -9.851 -0.961 1.00 0.00 N ATOM 1329 CA HIS A 90 7.199 -8.584 -0.957 1.00 0.00 C ATOM 1330 C HIS A 90 8.441 -8.659 -1.841 1.00 0.00 C ATOM 1331 O HIS A 90 8.970 -9.740 -2.097 1.00 0.00 O ATOM 1332 CB HIS A 90 7.594 -8.198 0.471 1.00 0.00 C ATOM 1333 CG HIS A 90 8.148 -9.336 1.273 1.00 0.00 C ATOM 1334 ND1 HIS A 90 7.802 -9.567 2.589 1.00 0.00 N ATOM 1335 CD2 HIS A 90 9.031 -10.310 0.943 1.00 0.00 C ATOM 1336 CE1 HIS A 90 8.448 -10.631 3.032 1.00 0.00 C ATOM 1337 NE2 HIS A 90 9.199 -11.100 2.053 1.00 0.00 N ATOM 1338 H HIS A 90 6.531 -10.435 -0.177 1.00 0.00 H ATOM 1339 HA HIS A 90 6.538 -7.827 -1.353 1.00 0.00 H ATOM 1340 HB2 HIS A 90 8.346 -7.424 0.432 1.00 0.00 H ATOM 1341 HB3 HIS A 90 6.723 -7.820 0.987 1.00 0.00 H ATOM 1342 HD1 HIS A 90 7.178 -9.029 3.120 1.00 0.00 H ATOM 1343 HD2 HIS A 90 9.515 -10.437 -0.016 1.00 0.00 H ATOM 1344 HE1 HIS A 90 8.374 -11.048 4.026 1.00 0.00 H ATOM 1345 HE2 HIS A 90 9.717 -11.932 2.087 1.00 0.00 H ATOM 1346 N LYS A 91 8.900 -7.500 -2.304 1.00 0.00 N ATOM 1347 CA LYS A 91 10.079 -7.427 -3.159 1.00 0.00 C ATOM 1348 C LYS A 91 9.738 -7.811 -4.596 1.00 0.00 C ATOM 1349 O LYS A 91 9.998 -8.935 -5.028 1.00 0.00 O ATOM 1350 CB LYS A 91 11.183 -8.340 -2.625 1.00 0.00 C ATOM 1351 CG LYS A 91 12.571 -7.949 -3.100 1.00 0.00 C ATOM 1352 CD LYS A 91 12.774 -6.444 -3.038 1.00 0.00 C ATOM 1353 CE LYS A 91 12.406 -5.890 -1.672 1.00 0.00 C ATOM 1354 NZ LYS A 91 13.538 -5.150 -1.051 1.00 0.00 N ATOM 1355 H LYS A 91 8.434 -6.672 -2.064 1.00 0.00 H ATOM 1356 HA LYS A 91 10.432 -6.408 -3.148 1.00 0.00 H ATOM 1357 HB2 LYS A 91 11.172 -8.307 -1.545 1.00 0.00 H ATOM 1358 HB3 LYS A 91 10.987 -9.352 -2.948 1.00 0.00 H ATOM 1359 HG2 LYS A 91 13.306 -8.428 -2.470 1.00 0.00 H ATOM 1360 HG3 LYS A 91 12.698 -8.279 -4.121 1.00 0.00 H ATOM 1361 HD2 LYS A 91 13.812 -6.222 -3.237 1.00 0.00 H ATOM 1362 HD3 LYS A 91 12.153 -5.976 -3.787 1.00 0.00 H ATOM 1363 HE2 LYS A 91 11.567 -5.219 -1.785 1.00 0.00 H ATOM 1364 HE3 LYS A 91 12.126 -6.711 -1.029 1.00 0.00 H ATOM 1365 HZ1 LYS A 91 14.415 -5.703 -1.134 1.00 0.00 H ATOM 1366 HZ2 LYS A 91 13.672 -4.236 -1.527 1.00 0.00 H ATOM 1367 HZ3 LYS A 91 13.343 -4.978 -0.043 1.00 0.00 H ATOM 1368 N SER A 92 9.157 -6.870 -5.332 1.00 0.00 N ATOM 1369 CA SER A 92 8.783 -7.108 -6.721 1.00 0.00 C ATOM 1370 C SER A 92 8.388 -5.806 -7.410 1.00 0.00 C ATOM 1371 O SER A 92 7.461 -5.836 -8.246 1.00 0.00 O ATOM 1372 CB SER A 92 7.630 -8.111 -6.796 1.00 0.00 C ATOM 1373 OG SER A 92 7.987 -9.344 -6.196 1.00 0.00 O ATOM 1374 OXT SER A 92 9.008 -4.765 -7.105 1.00 0.00 O ATOM 1375 H SER A 92 8.977 -5.994 -4.932 1.00 0.00 H ATOM 1376 HA SER A 92 9.642 -7.522 -7.229 1.00 0.00 H ATOM 1377 HB2 SER A 92 6.772 -7.709 -6.280 1.00 0.00 H ATOM 1378 HB3 SER A 92 7.378 -8.289 -7.832 1.00 0.00 H ATOM 1379 HG SER A 92 7.214 -9.736 -5.783 1.00 0.00 H TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 21.075 0.793 -1.198 1.00 0.00 C HETATM 1382 C2 NAG A1052 21.517 1.227 0.194 1.00 0.00 C HETATM 1383 C3 NAG A1052 22.430 2.436 0.111 1.00 0.00 C HETATM 1384 C4 NAG A1052 23.579 2.161 -0.837 1.00 0.00 C HETATM 1385 C5 NAG A1052 23.058 1.691 -2.188 1.00 0.00 C HETATM 1386 C6 NAG A1052 24.176 1.292 -3.128 1.00 0.00 C HETATM 1387 C7 NAG A1052 20.104 0.915 2.118 1.00 0.00 C HETATM 1388 C8 NAG A1052 18.874 1.334 2.906 1.00 0.00 C HETATM 1389 N2 NAG A1052 20.353 1.566 0.986 1.00 0.00 N HETATM 1390 O3 NAG A1052 22.946 2.721 1.404 1.00 0.00 O HETATM 1391 O4 NAG A1052 24.331 3.351 -1.015 1.00 0.00 O HETATM 1392 O5 NAG A1052 22.208 0.536 -2.041 1.00 0.00 O HETATM 1393 O6 NAG A1052 25.025 2.394 -3.418 1.00 0.00 O HETATM 1394 O7 NAG A1052 20.820 0.006 2.537 1.00 0.00 O HETATM 1395 H1 NAG A1052 20.483 1.591 -1.677 1.00 0.00 H HETATM 1396 H2 NAG A1052 22.046 0.388 0.674 1.00 0.00 H HETATM 1397 H3 NAG A1052 21.842 3.298 -0.244 1.00 0.00 H HETATM 1398 H4 NAG A1052 24.224 1.386 -0.389 1.00 0.00 H HETATM 1399 H5 NAG A1052 22.478 2.506 -2.653 1.00 0.00 H HETATM 1400 HN2 NAG A1052 19.748 2.279 0.695 1.00 0.00 H HETATM 1401 HO3 NAG A1052 23.476 1.979 1.707 1.00 0.00 H HETATM 1402 HO4 NAG A1052 25.065 3.179 -1.610 1.00 0.00 H HETATM 1403 HO6 NAG A1052 24.511 3.090 -3.835 1.00 0.00 H HETATM 1404 C1 NAG A1078 -18.112 -1.594 3.337 1.00 0.00 C HETATM 1405 C2 NAG A1078 -19.622 -1.591 3.541 1.00 0.00 C HETATM 1406 C3 NAG A1078 -20.050 -0.326 4.264 1.00 0.00 C HETATM 1407 C4 NAG A1078 -19.259 -0.160 5.549 1.00 0.00 C HETATM 1408 C5 NAG A1078 -17.762 -0.239 5.273 1.00 0.00 C HETATM 1409 C6 NAG A1078 -16.931 -0.217 6.541 1.00 0.00 C HETATM 1410 C7 NAG A1078 -21.101 -2.667 1.968 1.00 0.00 C HETATM 1411 C8 NAG A1078 -21.769 -2.663 0.603 1.00 0.00 C HETATM 1412 N2 NAG A1078 -20.286 -1.656 2.252 1.00 0.00 N HETATM 1413 O3 NAG A1078 -21.433 -0.410 4.572 1.00 0.00 O HETATM 1414 O4 NAG A1078 -19.561 1.105 6.122 1.00 0.00 O HETATM 1415 O5 NAG A1078 -17.430 -1.456 4.591 1.00 0.00 O HETATM 1416 O6 NAG A1078 -17.246 -1.317 7.382 1.00 0.00 O HETATM 1417 O7 NAG A1078 -21.325 -3.586 2.757 1.00 0.00 O HETATM 1418 H1 NAG A1078 -17.802 -0.750 2.691 1.00 0.00 H HETATM 1419 H2 NAG A1078 -19.899 -2.480 4.131 1.00 0.00 H HETATM 1420 H3 NAG A1078 -19.876 0.535 3.598 1.00 0.00 H HETATM 1421 H4 NAG A1078 -19.560 -0.958 6.248 1.00 0.00 H HETATM 1422 H5 NAG A1078 -17.465 0.610 4.643 1.00 0.00 H HETATM 1423 HN2 NAG A1078 -20.142 -0.951 1.586 1.00 0.00 H HETATM 1424 HO3 NAG A1078 -21.711 0.399 5.006 1.00 0.00 H HETATM 1425 HO4 NAG A1078 -19.237 1.801 5.545 1.00 0.00 H HETATM 1426 HO6 NAG A1078 -18.185 -1.309 7.580 1.00 0.00 H