HEADER GLYCOPROTEIN 28-NOV-90 1HCC TITLE THREE-DIMENSIONAL STRUCTURE OF A COMPLEMENT CONTROL PROTEIN TITLE 2 MODULE IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 16TH COMPLEMENT CONTROL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR D.G.NORMAN,P.B.BARLOW,I.D.C.CAMPBELL REVDAT 2 24-FEB-09 1HCC 1 VERSN REVDAT 1 15-APR-92 1HCC 0 JRNL AUTH D.G.NORMAN,P.N.BARLOW,M.BARON,A.J.DAY,R.B.SIM, JRNL AUTH 2 I.D.CAMPBELL JRNL TITL THREE-DIMENSIONAL STRUCTURE OF A COMPLEMENT JRNL TITL 2 CONTROL PROTEIN MODULE IN SOLUTION. JRNL REF J.MOL.BIOL. V. 219 717 1991 JRNL REFN ISSN 0022-2836 JRNL PMID 1829116 JRNL DOI 10.1016/0022-2836(91)90666-T REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.N.BARLOW,M.BARON,D.G.NORMAN,A.J.DAY,R.B.SIM, REMARK 1 AUTH 2 I.D.CAMPBELL REMARK 1 TITL SECONDARY STRUCTURE OF A COMPLEMENT CONTROL REMARK 1 TITL 2 PROTEIN MODULE BY TWO-DIMENSIONAL 1H NMR REMARK 1 REF BIOCHEMISTRY V. 30 997 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HCC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 54 CB HIS A 54 CG 0.108 REMARK 500 HIS A 54 NE2 HIS A 54 CD2 -0.089 REMARK 500 REMARK 500 REMARK: NULL 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 PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 52 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 52 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 52 NE1 - CE2 - CZ2 ANGL. DEV. = 7.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 6 -147.66 -119.82 REMARK 500 HIS A 13 42.82 31.73 REMARK 500 GLN A 24 -86.12 -124.01 REMARK 500 PRO A 42 178.78 -58.11 REMARK 500 LEU A 48 70.08 -119.57 REMARK 500 HIS A 54 101.39 34.27 REMARK 500 REMARK 500 REMARK: NULL DBREF 1HCC A 1 59 UNP P08603 CFAH_HUMAN 927 985 SEQRES 1 A 59 GLU GLY LEU PRO CYS LYS SER PRO PRO GLU ILE SER HIS SEQRES 2 A 59 GLY VAL VAL ALA HIS MET SER ASP SER TYR GLN TYR GLY SEQRES 3 A 59 GLU GLU VAL THR TYR LYS CYS PHE GLU GLY PHE GLY ILE SEQRES 4 A 59 ASP GLY PRO ALA ILE ALA LYS CYS LEU GLY GLU LYS TRP SEQRES 5 A 59 SER HIS PRO PRO SER CYS ILE SHEET 1 S1 2 HIS A 13 VAL A 15 0 SHEET 2 S1 2 LYS A 32 PHE A 34 -1 SHEET 1 S2 2 GLU A 27 TYR A 31 0 SHEET 2 S2 2 ALA A 43 CYS A 47 -1 SHEET 1 S3 2 LYS A 46 LEU A 48 0 SHEET 2 S3 2 LYS A 51 SER A 53 -1 SHEET 1 S4 2 GLY A 38 ASP A 40 0 SHEET 2 S4 2 SER A 57 ILE A 59 -1 SSBOND 1 CYS A 5 CYS A 47 1555 1555 2.02 SSBOND 2 CYS A 33 CYS A 58 1555 1555 2.02 CISPEP 1 GLY A 2 LEU A 3 0 -0.21 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 GLU A 1 2.643 -22.920 -8.875 1.00 0.00 N ATOM 2 CA GLU A 1 3.516 -21.727 -9.052 1.00 0.00 C ATOM 3 C GLU A 1 3.027 -20.627 -8.103 1.00 0.00 C ATOM 4 O GLU A 1 3.591 -20.463 -7.039 1.00 0.00 O ATOM 5 CB GLU A 1 3.439 -21.255 -10.530 1.00 0.00 C ATOM 6 CG GLU A 1 4.253 -19.954 -10.746 1.00 0.00 C ATOM 7 CD GLU A 1 4.066 -19.474 -12.198 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.525 -20.188 -13.075 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.472 -18.418 -12.348 1.00 0.00 O ATOM 10 H1 GLU A 1 1.918 -22.716 -8.157 1.00 0.00 H ATOM 11 H2 GLU A 1 2.182 -23.152 -9.777 1.00 0.00 H ATOM 12 H3 GLU A 1 3.221 -23.725 -8.562 1.00 0.00 H ATOM 13 HA GLU A 1 4.529 -21.994 -8.790 1.00 0.00 H ATOM 14 HB2 GLU A 1 3.839 -22.035 -11.162 1.00 0.00 H ATOM 15 HB3 GLU A 1 2.409 -21.091 -10.811 1.00 0.00 H ATOM 16 HG2 GLU A 1 3.924 -19.177 -10.071 1.00 0.00 H ATOM 17 HG3 GLU A 1 5.304 -20.137 -10.573 1.00 0.00 H ATOM 18 N GLY A 2 1.990 -19.939 -8.525 1.00 0.00 N ATOM 19 CA GLY A 2 1.366 -18.822 -7.748 1.00 0.00 C ATOM 20 C GLY A 2 2.352 -17.919 -6.963 1.00 0.00 C ATOM 21 O GLY A 2 3.546 -17.963 -7.180 1.00 0.00 O ATOM 22 H GLY A 2 1.602 -20.167 -9.396 1.00 0.00 H ATOM 23 HA2 GLY A 2 0.816 -18.199 -8.441 1.00 0.00 H ATOM 24 HA3 GLY A 2 0.668 -19.270 -7.058 1.00 0.00 H ATOM 25 N LEU A 3 1.879 -17.085 -6.070 1.00 0.00 N ATOM 26 CA LEU A 3 0.419 -16.940 -5.754 1.00 0.00 C ATOM 27 C LEU A 3 -0.070 -15.826 -6.696 1.00 0.00 C ATOM 28 O LEU A 3 0.717 -14.964 -7.021 1.00 0.00 O ATOM 29 CB LEU A 3 0.282 -16.522 -4.274 1.00 0.00 C ATOM 30 CG LEU A 3 0.916 -17.608 -3.344 1.00 0.00 C ATOM 31 CD1 LEU A 3 1.039 -17.010 -1.901 1.00 0.00 C ATOM 32 CD2 LEU A 3 -0.017 -18.865 -3.288 1.00 0.00 C ATOM 33 H LEU A 3 2.518 -16.525 -5.583 1.00 0.00 H ATOM 34 HA LEU A 3 -0.115 -17.856 -5.942 1.00 0.00 H ATOM 35 HB2 LEU A 3 0.840 -15.605 -4.149 1.00 0.00 H ATOM 36 HB3 LEU A 3 -0.751 -16.333 -4.024 1.00 0.00 H ATOM 37 HG LEU A 3 1.894 -17.903 -3.690 1.00 0.00 H ATOM 38 HD11 LEU A 3 0.834 -15.952 -1.908 1.00 0.00 H ATOM 39 HD12 LEU A 3 0.367 -17.472 -1.195 1.00 0.00 H ATOM 40 HD13 LEU A 3 2.050 -17.145 -1.546 1.00 0.00 H ATOM 41 HD21 LEU A 3 -0.800 -18.807 -4.030 1.00 0.00 H ATOM 42 HD22 LEU A 3 0.568 -19.751 -3.488 1.00 0.00 H ATOM 43 HD23 LEU A 3 -0.485 -18.986 -2.321 1.00 0.00 H ATOM 44 N PRO A 4 -1.309 -15.831 -7.126 1.00 0.00 N ATOM 45 CA PRO A 4 -1.865 -14.680 -7.892 1.00 0.00 C ATOM 46 C PRO A 4 -2.152 -13.516 -6.933 1.00 0.00 C ATOM 47 O PRO A 4 -2.367 -13.738 -5.756 1.00 0.00 O ATOM 48 CB PRO A 4 -3.110 -15.259 -8.548 1.00 0.00 C ATOM 49 CG PRO A 4 -3.610 -16.259 -7.464 1.00 0.00 C ATOM 50 CD PRO A 4 -2.307 -16.923 -6.947 1.00 0.00 C ATOM 51 HA PRO A 4 -1.152 -14.366 -8.640 1.00 0.00 H ATOM 52 HB2 PRO A 4 -3.846 -14.491 -8.736 1.00 0.00 H ATOM 53 HB3 PRO A 4 -2.865 -15.766 -9.470 1.00 0.00 H ATOM 54 HG2 PRO A 4 -4.129 -15.746 -6.669 1.00 0.00 H ATOM 55 HG3 PRO A 4 -4.265 -16.995 -7.908 1.00 0.00 H ATOM 56 HD2 PRO A 4 -2.382 -17.192 -5.905 1.00 0.00 H ATOM 57 HD3 PRO A 4 -2.023 -17.778 -7.544 1.00 0.00 H ATOM 58 N CYS A 5 -2.151 -12.314 -7.457 1.00 0.00 N ATOM 59 CA CYS A 5 -2.423 -11.124 -6.597 1.00 0.00 C ATOM 60 C CYS A 5 -3.931 -10.893 -6.611 1.00 0.00 C ATOM 61 O CYS A 5 -4.636 -11.387 -7.470 1.00 0.00 O ATOM 62 CB CYS A 5 -1.724 -9.844 -7.154 1.00 0.00 C ATOM 63 SG CYS A 5 0.080 -9.693 -7.062 1.00 0.00 S ATOM 64 H CYS A 5 -1.966 -12.183 -8.406 1.00 0.00 H ATOM 65 HA CYS A 5 -2.092 -11.315 -5.587 1.00 0.00 H ATOM 66 HB2 CYS A 5 -2.002 -9.743 -8.193 1.00 0.00 H ATOM 67 HB3 CYS A 5 -2.134 -8.991 -6.633 1.00 0.00 H ATOM 68 N LYS A 6 -4.366 -10.140 -5.639 1.00 0.00 N ATOM 69 CA LYS A 6 -5.812 -9.804 -5.494 1.00 0.00 C ATOM 70 C LYS A 6 -5.880 -8.274 -5.586 1.00 0.00 C ATOM 71 O LYS A 6 -5.086 -7.676 -6.291 1.00 0.00 O ATOM 72 CB LYS A 6 -6.319 -10.305 -4.116 1.00 0.00 C ATOM 73 CG LYS A 6 -6.264 -11.842 -4.007 1.00 0.00 C ATOM 74 CD LYS A 6 -6.725 -12.235 -2.580 1.00 0.00 C ATOM 75 CE LYS A 6 -6.815 -13.765 -2.445 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.892 -14.298 -3.330 1.00 0.00 N ATOM 77 H LYS A 6 -3.729 -9.786 -4.984 1.00 0.00 H ATOM 78 HA LYS A 6 -6.364 -10.233 -6.320 1.00 0.00 H ATOM 79 HB2 LYS A 6 -5.704 -9.874 -3.343 1.00 0.00 H ATOM 80 HB3 LYS A 6 -7.340 -9.985 -3.960 1.00 0.00 H ATOM 81 HG2 LYS A 6 -6.914 -12.284 -4.749 1.00 0.00 H ATOM 82 HG3 LYS A 6 -5.255 -12.188 -4.173 1.00 0.00 H ATOM 83 HD2 LYS A 6 -6.021 -11.857 -1.854 1.00 0.00 H ATOM 84 HD3 LYS A 6 -7.694 -11.803 -2.373 1.00 0.00 H ATOM 85 HE2 LYS A 6 -5.879 -14.225 -2.723 1.00 0.00 H ATOM 86 HE3 LYS A 6 -7.047 -14.031 -1.425 1.00 0.00 H ATOM 87 HZ1 LYS A 6 -8.341 -13.514 -3.844 1.00 0.00 H ATOM 88 HZ2 LYS A 6 -7.481 -14.969 -4.011 1.00 0.00 H ATOM 89 HZ3 LYS A 6 -8.604 -14.785 -2.750 1.00 0.00 H ATOM 90 N SER A 7 -6.811 -7.670 -4.890 1.00 0.00 N ATOM 91 CA SER A 7 -6.915 -6.184 -4.941 1.00 0.00 C ATOM 92 C SER A 7 -5.672 -5.631 -4.202 1.00 0.00 C ATOM 93 O SER A 7 -5.340 -6.134 -3.144 1.00 0.00 O ATOM 94 CB SER A 7 -8.219 -5.743 -4.227 1.00 0.00 C ATOM 95 OG SER A 7 -8.135 -6.239 -2.895 1.00 0.00 O ATOM 96 H SER A 7 -7.438 -8.184 -4.338 1.00 0.00 H ATOM 97 HA SER A 7 -6.925 -5.870 -5.973 1.00 0.00 H ATOM 98 HB2 SER A 7 -8.310 -4.667 -4.198 1.00 0.00 H ATOM 99 HB3 SER A 7 -9.089 -6.170 -4.703 1.00 0.00 H ATOM 100 HG SER A 7 -7.307 -6.712 -2.783 1.00 0.00 H ATOM 101 N PRO A 8 -5.009 -4.636 -4.749 1.00 0.00 N ATOM 102 CA PRO A 8 -3.836 -4.010 -4.079 1.00 0.00 C ATOM 103 C PRO A 8 -4.303 -3.322 -2.779 1.00 0.00 C ATOM 104 O PRO A 8 -5.412 -2.825 -2.735 1.00 0.00 O ATOM 105 CB PRO A 8 -3.288 -3.049 -5.137 1.00 0.00 C ATOM 106 CG PRO A 8 -4.569 -2.648 -5.912 1.00 0.00 C ATOM 107 CD PRO A 8 -5.306 -3.990 -6.058 1.00 0.00 C ATOM 108 HA PRO A 8 -3.115 -4.780 -3.853 1.00 0.00 H ATOM 109 HB2 PRO A 8 -2.830 -2.184 -4.682 1.00 0.00 H ATOM 110 HB3 PRO A 8 -2.579 -3.539 -5.788 1.00 0.00 H ATOM 111 HG2 PRO A 8 -5.163 -1.938 -5.355 1.00 0.00 H ATOM 112 HG3 PRO A 8 -4.327 -2.240 -6.882 1.00 0.00 H ATOM 113 HD2 PRO A 8 -6.369 -3.839 -6.171 1.00 0.00 H ATOM 114 HD3 PRO A 8 -4.910 -4.590 -6.864 1.00 0.00 H ATOM 115 N PRO A 9 -3.471 -3.304 -1.762 1.00 0.00 N ATOM 116 CA PRO A 9 -3.783 -2.634 -0.469 1.00 0.00 C ATOM 117 C PRO A 9 -3.734 -1.113 -0.641 1.00 0.00 C ATOM 118 O PRO A 9 -3.538 -0.613 -1.733 1.00 0.00 O ATOM 119 CB PRO A 9 -2.722 -3.181 0.481 1.00 0.00 C ATOM 120 CG PRO A 9 -1.498 -3.319 -0.461 1.00 0.00 C ATOM 121 CD PRO A 9 -2.117 -3.933 -1.732 1.00 0.00 C ATOM 122 HA PRO A 9 -4.771 -2.921 -0.138 1.00 0.00 H ATOM 123 HB2 PRO A 9 -2.515 -2.498 1.291 1.00 0.00 H ATOM 124 HB3 PRO A 9 -3.019 -4.141 0.878 1.00 0.00 H ATOM 125 HG2 PRO A 9 -1.050 -2.359 -0.671 1.00 0.00 H ATOM 126 HG3 PRO A 9 -0.759 -3.983 -0.037 1.00 0.00 H ATOM 127 HD2 PRO A 9 -1.559 -3.654 -2.614 1.00 0.00 H ATOM 128 HD3 PRO A 9 -2.214 -5.007 -1.657 1.00 0.00 H ATOM 129 N GLU A 10 -3.913 -0.427 0.459 1.00 0.00 N ATOM 130 CA GLU A 10 -3.884 1.065 0.416 1.00 0.00 C ATOM 131 C GLU A 10 -2.402 1.439 0.512 1.00 0.00 C ATOM 132 O GLU A 10 -1.574 0.597 0.810 1.00 0.00 O ATOM 133 CB GLU A 10 -4.698 1.608 1.612 1.00 0.00 C ATOM 134 CG GLU A 10 -4.839 3.146 1.501 1.00 0.00 C ATOM 135 CD GLU A 10 -5.771 3.679 2.604 1.00 0.00 C ATOM 136 OE1 GLU A 10 -5.398 3.532 3.756 1.00 0.00 O ATOM 137 OE2 GLU A 10 -6.808 4.205 2.231 1.00 0.00 O ATOM 138 H GLU A 10 -4.065 -0.897 1.305 1.00 0.00 H ATOM 139 HA GLU A 10 -4.277 1.412 -0.531 1.00 0.00 H ATOM 140 HB2 GLU A 10 -5.679 1.154 1.621 1.00 0.00 H ATOM 141 HB3 GLU A 10 -4.198 1.356 2.536 1.00 0.00 H ATOM 142 HG2 GLU A 10 -3.878 3.621 1.622 1.00 0.00 H ATOM 143 HG3 GLU A 10 -5.238 3.411 0.530 1.00 0.00 H ATOM 144 N ILE A 11 -2.097 2.687 0.260 1.00 0.00 N ATOM 145 CA ILE A 11 -0.664 3.122 0.323 1.00 0.00 C ATOM 146 C ILE A 11 -0.490 4.228 1.382 1.00 0.00 C ATOM 147 O ILE A 11 -1.458 4.719 1.934 1.00 0.00 O ATOM 148 CB ILE A 11 -0.265 3.596 -1.130 1.00 0.00 C ATOM 149 CG1 ILE A 11 -0.654 5.062 -1.359 1.00 0.00 C ATOM 150 CG2 ILE A 11 -1.003 2.716 -2.202 1.00 0.00 C ATOM 151 CD1 ILE A 11 -0.222 5.522 -2.767 1.00 0.00 C ATOM 152 H ILE A 11 -2.801 3.332 0.034 1.00 0.00 H ATOM 153 HA ILE A 11 -0.024 2.293 0.579 1.00 0.00 H ATOM 154 HB ILE A 11 0.797 3.485 -1.292 1.00 0.00 H ATOM 155 HG12 ILE A 11 -1.714 5.185 -1.200 1.00 0.00 H ATOM 156 HG13 ILE A 11 -0.115 5.657 -0.642 1.00 0.00 H ATOM 157 HG21 ILE A 11 -1.571 1.900 -1.786 1.00 0.00 H ATOM 158 HG22 ILE A 11 -1.653 3.297 -2.838 1.00 0.00 H ATOM 159 HG23 ILE A 11 -0.251 2.270 -2.814 1.00 0.00 H ATOM 160 HD11 ILE A 11 0.218 4.708 -3.320 1.00 0.00 H ATOM 161 HD12 ILE A 11 -1.080 5.882 -3.312 1.00 0.00 H ATOM 162 HD13 ILE A 11 0.509 6.314 -2.691 1.00 0.00 H ATOM 163 N SER A 12 0.746 4.592 1.623 1.00 0.00 N ATOM 164 CA SER A 12 1.048 5.656 2.635 1.00 0.00 C ATOM 165 C SER A 12 0.399 6.977 2.214 1.00 0.00 C ATOM 166 O SER A 12 0.707 7.489 1.156 1.00 0.00 O ATOM 167 CB SER A 12 2.571 5.834 2.738 1.00 0.00 C ATOM 168 OG SER A 12 3.065 4.564 3.144 1.00 0.00 O ATOM 169 H SER A 12 1.479 4.165 1.135 1.00 0.00 H ATOM 170 HA SER A 12 0.646 5.347 3.590 1.00 0.00 H ATOM 171 HB2 SER A 12 3.005 6.099 1.785 1.00 0.00 H ATOM 172 HB3 SER A 12 2.829 6.573 3.482 1.00 0.00 H ATOM 173 HG SER A 12 2.329 3.956 3.240 1.00 0.00 H ATOM 174 N HIS A 13 -0.467 7.471 3.072 1.00 0.00 N ATOM 175 CA HIS A 13 -1.217 8.758 2.844 1.00 0.00 C ATOM 176 C HIS A 13 -1.501 9.014 1.351 1.00 0.00 C ATOM 177 O HIS A 13 -1.358 10.111 0.842 1.00 0.00 O ATOM 178 CB HIS A 13 -0.370 9.896 3.429 1.00 0.00 C ATOM 179 CG HIS A 13 -0.157 9.656 4.924 1.00 0.00 C ATOM 180 ND1 HIS A 13 -0.994 9.966 5.856 1.00 0.00 N ATOM 181 CD2 HIS A 13 0.909 9.082 5.593 1.00 0.00 C ATOM 182 CE1 HIS A 13 -0.508 9.623 7.006 1.00 0.00 C ATOM 183 NE2 HIS A 13 0.674 9.070 6.890 1.00 0.00 N ATOM 184 H HIS A 13 -0.635 6.977 3.902 1.00 0.00 H ATOM 185 HA HIS A 13 -2.164 8.698 3.365 1.00 0.00 H ATOM 186 HB2 HIS A 13 0.592 9.943 2.939 1.00 0.00 H ATOM 187 HB3 HIS A 13 -0.879 10.839 3.298 1.00 0.00 H ATOM 188 HD1 HIS A 13 -1.863 10.396 5.715 1.00 0.00 H ATOM 189 HD2 HIS A 13 1.802 8.698 5.121 1.00 0.00 H ATOM 190 HE1 HIS A 13 -1.016 9.775 7.948 1.00 0.00 H ATOM 191 N GLY A 14 -1.898 7.945 0.706 1.00 0.00 N ATOM 192 CA GLY A 14 -2.218 7.991 -0.744 1.00 0.00 C ATOM 193 C GLY A 14 -3.413 7.109 -1.092 1.00 0.00 C ATOM 194 O GLY A 14 -4.039 6.502 -0.244 1.00 0.00 O ATOM 195 H GLY A 14 -1.986 7.094 1.188 1.00 0.00 H ATOM 196 HA2 GLY A 14 -2.443 9.005 -1.037 1.00 0.00 H ATOM 197 HA3 GLY A 14 -1.357 7.649 -1.295 1.00 0.00 H ATOM 198 N VAL A 15 -3.666 7.089 -2.369 1.00 0.00 N ATOM 199 CA VAL A 15 -4.782 6.297 -2.954 1.00 0.00 C ATOM 200 C VAL A 15 -4.327 5.770 -4.314 1.00 0.00 C ATOM 201 O VAL A 15 -3.209 5.968 -4.755 1.00 0.00 O ATOM 202 CB VAL A 15 -6.019 7.233 -3.085 1.00 0.00 C ATOM 203 CG1 VAL A 15 -5.709 8.341 -4.161 1.00 0.00 C ATOM 204 CG2 VAL A 15 -7.338 6.460 -3.433 1.00 0.00 C ATOM 205 H VAL A 15 -3.083 7.611 -2.955 1.00 0.00 H ATOM 206 HA VAL A 15 -5.013 5.460 -2.312 1.00 0.00 H ATOM 207 HB VAL A 15 -6.181 7.684 -2.127 1.00 0.00 H ATOM 208 HG11 VAL A 15 -4.711 8.230 -4.562 1.00 0.00 H ATOM 209 HG12 VAL A 15 -6.397 8.304 -4.994 1.00 0.00 H ATOM 210 HG13 VAL A 15 -5.768 9.314 -3.703 1.00 0.00 H ATOM 211 HG21 VAL A 15 -7.230 5.392 -3.312 1.00 0.00 H ATOM 212 HG22 VAL A 15 -8.103 6.761 -2.735 1.00 0.00 H ATOM 213 HG23 VAL A 15 -7.686 6.673 -4.434 1.00 0.00 H ATOM 214 N VAL A 16 -5.260 5.105 -4.927 1.00 0.00 N ATOM 215 CA VAL A 16 -5.050 4.511 -6.260 1.00 0.00 C ATOM 216 C VAL A 16 -6.042 5.252 -7.166 1.00 0.00 C ATOM 217 O VAL A 16 -7.130 5.618 -6.755 1.00 0.00 O ATOM 218 CB VAL A 16 -5.377 3.002 -6.217 1.00 0.00 C ATOM 219 CG1 VAL A 16 -5.066 2.361 -7.614 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.516 2.322 -5.106 1.00 0.00 C ATOM 221 H VAL A 16 -6.126 4.992 -4.493 1.00 0.00 H ATOM 222 HA VAL A 16 -4.038 4.686 -6.581 1.00 0.00 H ATOM 223 HB VAL A 16 -6.422 2.861 -5.992 1.00 0.00 H ATOM 224 HG11 VAL A 16 -4.778 3.110 -8.336 1.00 0.00 H ATOM 225 HG12 VAL A 16 -4.270 1.633 -7.559 1.00 0.00 H ATOM 226 HG13 VAL A 16 -5.951 1.866 -7.985 1.00 0.00 H ATOM 227 HG21 VAL A 16 -3.954 3.056 -4.547 1.00 0.00 H ATOM 228 HG22 VAL A 16 -5.167 1.808 -4.415 1.00 0.00 H ATOM 229 HG23 VAL A 16 -3.816 1.607 -5.513 1.00 0.00 H ATOM 230 N ALA A 17 -5.609 5.428 -8.383 1.00 0.00 N ATOM 231 CA ALA A 17 -6.431 6.132 -9.427 1.00 0.00 C ATOM 232 C ALA A 17 -7.049 5.109 -10.386 1.00 0.00 C ATOM 233 O ALA A 17 -8.108 5.333 -10.940 1.00 0.00 O ATOM 234 CB ALA A 17 -5.512 7.100 -10.195 1.00 0.00 C ATOM 235 H ALA A 17 -4.717 5.093 -8.599 1.00 0.00 H ATOM 236 HA ALA A 17 -7.234 6.679 -8.953 1.00 0.00 H ATOM 237 HB1 ALA A 17 -4.498 7.026 -9.829 1.00 0.00 H ATOM 238 HB2 ALA A 17 -5.511 6.882 -11.255 1.00 0.00 H ATOM 239 HB3 ALA A 17 -5.858 8.111 -10.051 1.00 0.00 H ATOM 240 N HIS A 18 -6.347 4.019 -10.544 1.00 0.00 N ATOM 241 CA HIS A 18 -6.801 2.913 -11.437 1.00 0.00 C ATOM 242 C HIS A 18 -7.189 1.730 -10.549 1.00 0.00 C ATOM 243 O HIS A 18 -6.427 0.813 -10.311 1.00 0.00 O ATOM 244 CB HIS A 18 -5.648 2.553 -12.403 1.00 0.00 C ATOM 245 CG HIS A 18 -5.791 3.432 -13.651 1.00 0.00 C ATOM 246 ND1 HIS A 18 -6.711 3.273 -14.545 1.00 0.00 N ATOM 247 CD2 HIS A 18 -5.062 4.519 -14.105 1.00 0.00 C ATOM 248 CE1 HIS A 18 -6.580 4.165 -15.473 1.00 0.00 C ATOM 249 NE2 HIS A 18 -5.567 4.962 -15.240 1.00 0.00 N ATOM 250 H HIS A 18 -5.501 3.935 -10.058 1.00 0.00 H ATOM 251 HA HIS A 18 -7.674 3.223 -11.995 1.00 0.00 H ATOM 252 HB2 HIS A 18 -4.687 2.741 -11.946 1.00 0.00 H ATOM 253 HB3 HIS A 18 -5.703 1.517 -12.704 1.00 0.00 H ATOM 254 HD1 HIS A 18 -7.403 2.580 -14.523 1.00 0.00 H ATOM 255 HD2 HIS A 18 -4.208 4.945 -13.603 1.00 0.00 H ATOM 256 HE1 HIS A 18 -7.228 4.242 -16.334 1.00 0.00 H ATOM 257 N MET A 19 -8.411 1.832 -10.091 1.00 0.00 N ATOM 258 CA MET A 19 -9.031 0.807 -9.199 1.00 0.00 C ATOM 259 C MET A 19 -9.791 -0.153 -10.130 1.00 0.00 C ATOM 260 O MET A 19 -10.909 0.107 -10.531 1.00 0.00 O ATOM 261 CB MET A 19 -10.001 1.519 -8.226 1.00 0.00 C ATOM 262 CG MET A 19 -10.628 0.517 -7.231 1.00 0.00 C ATOM 263 SD MET A 19 -9.632 -0.013 -5.812 1.00 0.00 S ATOM 264 CE MET A 19 -10.342 1.063 -4.536 1.00 0.00 C ATOM 265 H MET A 19 -8.943 2.616 -10.343 1.00 0.00 H ATOM 266 HA MET A 19 -8.260 0.272 -8.661 1.00 0.00 H ATOM 267 HB2 MET A 19 -9.461 2.274 -7.674 1.00 0.00 H ATOM 268 HB3 MET A 19 -10.786 2.007 -8.786 1.00 0.00 H ATOM 269 HG2 MET A 19 -11.550 0.942 -6.865 1.00 0.00 H ATOM 270 HG3 MET A 19 -10.895 -0.379 -7.770 1.00 0.00 H ATOM 271 HE1 MET A 19 -11.107 1.692 -4.965 1.00 0.00 H ATOM 272 HE2 MET A 19 -10.795 0.460 -3.763 1.00 0.00 H ATOM 273 HE3 MET A 19 -9.573 1.699 -4.123 1.00 0.00 H ATOM 274 N SER A 20 -9.134 -1.241 -10.438 1.00 0.00 N ATOM 275 CA SER A 20 -9.710 -2.288 -11.336 1.00 0.00 C ATOM 276 C SER A 20 -10.287 -3.432 -10.482 1.00 0.00 C ATOM 277 O SER A 20 -10.257 -3.383 -9.268 1.00 0.00 O ATOM 278 CB SER A 20 -8.571 -2.786 -12.257 1.00 0.00 C ATOM 279 OG SER A 20 -9.176 -3.637 -13.223 1.00 0.00 O ATOM 280 H SER A 20 -8.241 -1.368 -10.071 1.00 0.00 H ATOM 281 HA SER A 20 -10.504 -1.858 -11.929 1.00 0.00 H ATOM 282 HB2 SER A 20 -8.090 -1.961 -12.762 1.00 0.00 H ATOM 283 HB3 SER A 20 -7.838 -3.353 -11.704 1.00 0.00 H ATOM 284 HG SER A 20 -10.126 -3.631 -13.093 1.00 0.00 H ATOM 285 N ASP A 21 -10.793 -4.427 -11.161 1.00 0.00 N ATOM 286 CA ASP A 21 -11.401 -5.620 -10.509 1.00 0.00 C ATOM 287 C ASP A 21 -10.543 -6.876 -10.703 1.00 0.00 C ATOM 288 O ASP A 21 -10.557 -7.753 -9.860 1.00 0.00 O ATOM 289 CB ASP A 21 -12.787 -5.808 -11.126 1.00 0.00 C ATOM 290 CG ASP A 21 -13.479 -7.063 -10.561 1.00 0.00 C ATOM 291 OD1 ASP A 21 -13.767 -7.042 -9.376 1.00 0.00 O ATOM 292 OD2 ASP A 21 -13.679 -7.972 -11.351 1.00 0.00 O ATOM 293 H ASP A 21 -10.783 -4.401 -12.139 1.00 0.00 H ATOM 294 HA ASP A 21 -11.506 -5.435 -9.448 1.00 0.00 H ATOM 295 HB2 ASP A 21 -13.402 -4.944 -10.919 1.00 0.00 H ATOM 296 HB3 ASP A 21 -12.677 -5.903 -12.198 1.00 0.00 H ATOM 297 N SER A 22 -9.827 -6.922 -11.800 1.00 0.00 N ATOM 298 CA SER A 22 -8.960 -8.105 -12.097 1.00 0.00 C ATOM 299 C SER A 22 -7.443 -7.846 -12.089 1.00 0.00 C ATOM 300 O SER A 22 -6.892 -7.283 -13.017 1.00 0.00 O ATOM 301 CB SER A 22 -9.396 -8.661 -13.472 1.00 0.00 C ATOM 302 OG SER A 22 -8.586 -9.808 -13.707 1.00 0.00 O ATOM 303 H SER A 22 -9.860 -6.174 -12.433 1.00 0.00 H ATOM 304 HA SER A 22 -9.164 -8.876 -11.368 1.00 0.00 H ATOM 305 HB2 SER A 22 -10.434 -8.959 -13.457 1.00 0.00 H ATOM 306 HB3 SER A 22 -9.232 -7.939 -14.258 1.00 0.00 H ATOM 307 HG SER A 22 -7.984 -9.930 -12.969 1.00 0.00 H ATOM 308 N TYR A 23 -6.832 -8.278 -11.015 1.00 0.00 N ATOM 309 CA TYR A 23 -5.355 -8.137 -10.818 1.00 0.00 C ATOM 310 C TYR A 23 -4.865 -9.578 -10.706 1.00 0.00 C ATOM 311 O TYR A 23 -5.364 -10.304 -9.867 1.00 0.00 O ATOM 312 CB TYR A 23 -5.010 -7.414 -9.509 1.00 0.00 C ATOM 313 CG TYR A 23 -5.382 -5.935 -9.594 1.00 0.00 C ATOM 314 CD1 TYR A 23 -4.474 -5.040 -10.127 1.00 0.00 C ATOM 315 CD2 TYR A 23 -6.602 -5.472 -9.143 1.00 0.00 C ATOM 316 CE1 TYR A 23 -4.781 -3.704 -10.214 1.00 0.00 C ATOM 317 CE2 TYR A 23 -6.907 -4.132 -9.230 1.00 0.00 C ATOM 318 CZ TYR A 23 -5.996 -3.242 -9.764 1.00 0.00 C ATOM 319 OH TYR A 23 -6.291 -1.899 -9.851 1.00 0.00 O ATOM 320 H TYR A 23 -7.362 -8.709 -10.311 1.00 0.00 H ATOM 321 HA TYR A 23 -4.900 -7.658 -11.673 1.00 0.00 H ATOM 322 HB2 TYR A 23 -5.557 -7.864 -8.694 1.00 0.00 H ATOM 323 HB3 TYR A 23 -3.952 -7.498 -9.304 1.00 0.00 H ATOM 324 HD1 TYR A 23 -3.518 -5.391 -10.485 1.00 0.00 H ATOM 325 HD2 TYR A 23 -7.321 -6.161 -8.724 1.00 0.00 H ATOM 326 HE1 TYR A 23 -4.064 -3.015 -10.635 1.00 0.00 H ATOM 327 HE2 TYR A 23 -7.861 -3.776 -8.874 1.00 0.00 H ATOM 328 HH TYR A 23 -7.135 -1.760 -9.416 1.00 0.00 H ATOM 329 N GLN A 24 -3.922 -9.961 -11.532 1.00 0.00 N ATOM 330 CA GLN A 24 -3.407 -11.365 -11.464 1.00 0.00 C ATOM 331 C GLN A 24 -1.885 -11.372 -11.256 1.00 0.00 C ATOM 332 O GLN A 24 -1.447 -11.455 -10.128 1.00 0.00 O ATOM 333 CB GLN A 24 -3.794 -12.086 -12.782 1.00 0.00 C ATOM 334 CG GLN A 24 -5.325 -12.052 -12.979 1.00 0.00 C ATOM 335 CD GLN A 24 -5.682 -12.705 -14.322 1.00 0.00 C ATOM 336 OE1 GLN A 24 -5.228 -12.289 -15.371 1.00 0.00 O ATOM 337 NE2 GLN A 24 -6.491 -13.728 -14.335 1.00 0.00 N ATOM 338 H GLN A 24 -3.555 -9.336 -12.191 1.00 0.00 H ATOM 339 HA GLN A 24 -3.857 -11.867 -10.620 1.00 0.00 H ATOM 340 HB2 GLN A 24 -3.326 -11.590 -13.616 1.00 0.00 H ATOM 341 HB3 GLN A 24 -3.452 -13.112 -12.753 1.00 0.00 H ATOM 342 HG2 GLN A 24 -5.820 -12.589 -12.184 1.00 0.00 H ATOM 343 HG3 GLN A 24 -5.683 -11.033 -12.993 1.00 0.00 H ATOM 344 HE21 GLN A 24 -6.863 -14.070 -13.496 1.00 0.00 H ATOM 345 HE22 GLN A 24 -6.726 -14.152 -15.187 1.00 0.00 H ATOM 346 N TYR A 25 -1.130 -11.294 -12.326 1.00 0.00 N ATOM 347 CA TYR A 25 0.362 -11.289 -12.220 1.00 0.00 C ATOM 348 C TYR A 25 0.942 -10.592 -13.455 1.00 0.00 C ATOM 349 O TYR A 25 0.595 -10.933 -14.570 1.00 0.00 O ATOM 350 CB TYR A 25 0.871 -12.746 -12.132 1.00 0.00 C ATOM 351 CG TYR A 25 2.391 -12.756 -11.871 1.00 0.00 C ATOM 352 CD1 TYR A 25 3.297 -12.517 -12.891 1.00 0.00 C ATOM 353 CD2 TYR A 25 2.872 -13.000 -10.598 1.00 0.00 C ATOM 354 CE1 TYR A 25 4.653 -12.523 -12.639 1.00 0.00 C ATOM 355 CE2 TYR A 25 4.227 -13.005 -10.348 1.00 0.00 C ATOM 356 CZ TYR A 25 5.127 -12.767 -11.367 1.00 0.00 C ATOM 357 OH TYR A 25 6.485 -12.773 -11.113 1.00 0.00 O ATOM 358 H TYR A 25 -1.546 -11.237 -13.211 1.00 0.00 H ATOM 359 HA TYR A 25 0.653 -10.737 -11.337 1.00 0.00 H ATOM 360 HB2 TYR A 25 0.371 -13.268 -11.330 1.00 0.00 H ATOM 361 HB3 TYR A 25 0.674 -13.266 -13.059 1.00 0.00 H ATOM 362 HD1 TYR A 25 2.946 -12.326 -13.893 1.00 0.00 H ATOM 363 HD2 TYR A 25 2.180 -13.187 -9.790 1.00 0.00 H ATOM 364 HE1 TYR A 25 5.347 -12.336 -13.445 1.00 0.00 H ATOM 365 HE2 TYR A 25 4.587 -13.198 -9.347 1.00 0.00 H ATOM 366 HH TYR A 25 6.946 -12.598 -11.935 1.00 0.00 H ATOM 367 N GLY A 26 1.804 -9.638 -13.217 1.00 0.00 N ATOM 368 CA GLY A 26 2.441 -8.881 -14.337 1.00 0.00 C ATOM 369 C GLY A 26 1.627 -7.611 -14.567 1.00 0.00 C ATOM 370 O GLY A 26 1.389 -7.216 -15.693 1.00 0.00 O ATOM 371 H GLY A 26 2.038 -9.414 -12.291 1.00 0.00 H ATOM 372 HA2 GLY A 26 3.450 -8.616 -14.060 1.00 0.00 H ATOM 373 HA3 GLY A 26 2.453 -9.479 -15.238 1.00 0.00 H ATOM 374 N GLU A 27 1.230 -7.017 -13.472 1.00 0.00 N ATOM 375 CA GLU A 27 0.421 -5.762 -13.507 1.00 0.00 C ATOM 376 C GLU A 27 1.082 -4.675 -12.666 1.00 0.00 C ATOM 377 O GLU A 27 1.889 -4.965 -11.802 1.00 0.00 O ATOM 378 CB GLU A 27 -0.988 -6.073 -12.956 1.00 0.00 C ATOM 379 CG GLU A 27 -1.765 -6.981 -13.935 1.00 0.00 C ATOM 380 CD GLU A 27 -2.098 -6.186 -15.214 1.00 0.00 C ATOM 381 OE1 GLU A 27 -2.896 -5.269 -15.090 1.00 0.00 O ATOM 382 OE2 GLU A 27 -1.537 -6.537 -16.239 1.00 0.00 O ATOM 383 H GLU A 27 1.467 -7.405 -12.604 1.00 0.00 H ATOM 384 HA GLU A 27 0.350 -5.406 -14.525 1.00 0.00 H ATOM 385 HB2 GLU A 27 -0.897 -6.582 -12.007 1.00 0.00 H ATOM 386 HB3 GLU A 27 -1.534 -5.155 -12.794 1.00 0.00 H ATOM 387 HG2 GLU A 27 -1.176 -7.849 -14.194 1.00 0.00 H ATOM 388 HG3 GLU A 27 -2.687 -7.314 -13.481 1.00 0.00 H ATOM 389 N GLU A 28 0.703 -3.459 -12.963 1.00 0.00 N ATOM 390 CA GLU A 28 1.238 -2.271 -12.235 1.00 0.00 C ATOM 391 C GLU A 28 0.030 -1.446 -11.769 1.00 0.00 C ATOM 392 O GLU A 28 -1.056 -1.595 -12.297 1.00 0.00 O ATOM 393 CB GLU A 28 2.145 -1.454 -13.189 1.00 0.00 C ATOM 394 CG GLU A 28 1.396 -1.025 -14.470 1.00 0.00 C ATOM 395 CD GLU A 28 2.360 -0.223 -15.368 1.00 0.00 C ATOM 396 OE1 GLU A 28 2.740 0.855 -14.936 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.666 -0.735 -16.432 1.00 0.00 O ATOM 398 H GLU A 28 0.050 -3.323 -13.681 1.00 0.00 H ATOM 399 HA GLU A 28 1.796 -2.593 -11.371 1.00 0.00 H ATOM 400 HB2 GLU A 28 2.503 -0.578 -12.667 1.00 0.00 H ATOM 401 HB3 GLU A 28 3.000 -2.056 -13.462 1.00 0.00 H ATOM 402 HG2 GLU A 28 1.042 -1.893 -15.007 1.00 0.00 H ATOM 403 HG3 GLU A 28 0.553 -0.397 -14.224 1.00 0.00 H ATOM 404 N VAL A 29 0.250 -0.603 -10.795 1.00 0.00 N ATOM 405 CA VAL A 29 -0.862 0.251 -10.256 1.00 0.00 C ATOM 406 C VAL A 29 -0.335 1.681 -10.092 1.00 0.00 C ATOM 407 O VAL A 29 0.855 1.908 -10.200 1.00 0.00 O ATOM 408 CB VAL A 29 -1.335 -0.216 -8.842 1.00 0.00 C ATOM 409 CG1 VAL A 29 -2.706 -0.964 -9.045 1.00 0.00 C ATOM 410 CG2 VAL A 29 -0.367 -1.286 -8.228 1.00 0.00 C ATOM 411 H VAL A 29 1.152 -0.541 -10.424 1.00 0.00 H ATOM 412 HA VAL A 29 -1.670 0.292 -10.973 1.00 0.00 H ATOM 413 HB VAL A 29 -1.476 0.611 -8.163 1.00 0.00 H ATOM 414 HG11 VAL A 29 -3.044 -0.916 -10.070 1.00 0.00 H ATOM 415 HG12 VAL A 29 -2.640 -2.012 -8.791 1.00 0.00 H ATOM 416 HG13 VAL A 29 -3.466 -0.523 -8.422 1.00 0.00 H ATOM 417 HG21 VAL A 29 0.547 -1.409 -8.781 1.00 0.00 H ATOM 418 HG22 VAL A 29 -0.078 -0.949 -7.248 1.00 0.00 H ATOM 419 HG23 VAL A 29 -0.823 -2.252 -8.113 1.00 0.00 H ATOM 420 N THR A 30 -1.242 2.586 -9.814 1.00 0.00 N ATOM 421 CA THR A 30 -0.894 4.019 -9.628 1.00 0.00 C ATOM 422 C THR A 30 -1.033 4.470 -8.165 1.00 0.00 C ATOM 423 O THR A 30 -2.056 4.967 -7.741 1.00 0.00 O ATOM 424 CB THR A 30 -1.817 4.830 -10.547 1.00 0.00 C ATOM 425 OG1 THR A 30 -3.151 4.441 -10.224 1.00 0.00 O ATOM 426 CG2 THR A 30 -1.629 4.440 -12.039 1.00 0.00 C ATOM 427 H THR A 30 -2.182 2.338 -9.726 1.00 0.00 H ATOM 428 HA THR A 30 0.137 4.173 -9.918 1.00 0.00 H ATOM 429 HB THR A 30 -1.688 5.881 -10.368 1.00 0.00 H ATOM 430 HG1 THR A 30 -3.139 3.826 -9.487 1.00 0.00 H ATOM 431 HG21 THR A 30 -0.916 3.636 -12.157 1.00 0.00 H ATOM 432 HG22 THR A 30 -2.567 4.128 -12.472 1.00 0.00 H ATOM 433 HG23 THR A 30 -1.269 5.300 -12.585 1.00 0.00 H ATOM 434 N TYR A 31 0.048 4.261 -7.465 1.00 0.00 N ATOM 435 CA TYR A 31 0.202 4.604 -6.019 1.00 0.00 C ATOM 436 C TYR A 31 0.516 6.107 -5.984 1.00 0.00 C ATOM 437 O TYR A 31 1.659 6.514 -5.982 1.00 0.00 O ATOM 438 CB TYR A 31 1.363 3.721 -5.487 1.00 0.00 C ATOM 439 CG TYR A 31 0.886 2.320 -5.056 1.00 0.00 C ATOM 440 CD1 TYR A 31 -0.237 1.721 -5.613 1.00 0.00 C ATOM 441 CD2 TYR A 31 1.602 1.616 -4.099 1.00 0.00 C ATOM 442 CE1 TYR A 31 -0.628 0.459 -5.229 1.00 0.00 C ATOM 443 CE2 TYR A 31 1.205 0.350 -3.713 1.00 0.00 C ATOM 444 CZ TYR A 31 0.089 -0.239 -4.276 1.00 0.00 C ATOM 445 OH TYR A 31 -0.295 -1.506 -3.892 1.00 0.00 O ATOM 446 H TYR A 31 0.810 3.846 -7.915 1.00 0.00 H ATOM 447 HA TYR A 31 -0.737 4.423 -5.508 1.00 0.00 H ATOM 448 HB2 TYR A 31 2.047 3.556 -6.303 1.00 0.00 H ATOM 449 HB3 TYR A 31 1.916 4.202 -4.695 1.00 0.00 H ATOM 450 HD1 TYR A 31 -0.820 2.238 -6.358 1.00 0.00 H ATOM 451 HD2 TYR A 31 2.473 2.060 -3.646 1.00 0.00 H ATOM 452 HE1 TYR A 31 -1.505 0.020 -5.682 1.00 0.00 H ATOM 453 HE2 TYR A 31 1.776 -0.186 -2.969 1.00 0.00 H ATOM 454 HH TYR A 31 -1.088 -1.744 -4.376 1.00 0.00 H ATOM 455 N LYS A 32 -0.534 6.887 -5.942 1.00 0.00 N ATOM 456 CA LYS A 32 -0.413 8.381 -5.922 1.00 0.00 C ATOM 457 C LYS A 32 -0.650 8.875 -4.485 1.00 0.00 C ATOM 458 O LYS A 32 -1.382 8.247 -3.749 1.00 0.00 O ATOM 459 CB LYS A 32 -1.481 8.900 -6.904 1.00 0.00 C ATOM 460 CG LYS A 32 -1.323 10.390 -7.273 1.00 0.00 C ATOM 461 CD LYS A 32 -2.579 10.794 -8.099 1.00 0.00 C ATOM 462 CE LYS A 32 -2.420 12.193 -8.734 1.00 0.00 C ATOM 463 NZ LYS A 32 -1.991 12.072 -10.158 1.00 0.00 N ATOM 464 H LYS A 32 -1.428 6.490 -5.909 1.00 0.00 H ATOM 465 HA LYS A 32 0.575 8.674 -6.247 1.00 0.00 H ATOM 466 HB2 LYS A 32 -1.431 8.316 -7.812 1.00 0.00 H ATOM 467 HB3 LYS A 32 -2.455 8.745 -6.464 1.00 0.00 H ATOM 468 HG2 LYS A 32 -1.270 10.991 -6.377 1.00 0.00 H ATOM 469 HG3 LYS A 32 -0.423 10.537 -7.853 1.00 0.00 H ATOM 470 HD2 LYS A 32 -2.747 10.067 -8.882 1.00 0.00 H ATOM 471 HD3 LYS A 32 -3.447 10.797 -7.456 1.00 0.00 H ATOM 472 HE2 LYS A 32 -3.359 12.726 -8.701 1.00 0.00 H ATOM 473 HE3 LYS A 32 -1.675 12.770 -8.204 1.00 0.00 H ATOM 474 HZ1 LYS A 32 -1.903 11.068 -10.417 1.00 0.00 H ATOM 475 HZ2 LYS A 32 -2.707 12.520 -10.767 1.00 0.00 H ATOM 476 HZ3 LYS A 32 -1.077 12.547 -10.295 1.00 0.00 H ATOM 477 N CYS A 33 -0.052 9.986 -4.130 1.00 0.00 N ATOM 478 CA CYS A 33 -0.230 10.535 -2.744 1.00 0.00 C ATOM 479 C CYS A 33 -1.385 11.548 -2.790 1.00 0.00 C ATOM 480 O CYS A 33 -1.895 11.855 -3.852 1.00 0.00 O ATOM 481 CB CYS A 33 1.073 11.231 -2.298 1.00 0.00 C ATOM 482 SG CYS A 33 2.613 10.278 -2.318 1.00 0.00 S ATOM 483 H CYS A 33 0.514 10.461 -4.773 1.00 0.00 H ATOM 484 HA CYS A 33 -0.461 9.749 -2.040 1.00 0.00 H ATOM 485 HB2 CYS A 33 1.230 12.101 -2.922 1.00 0.00 H ATOM 486 HB3 CYS A 33 0.934 11.581 -1.286 1.00 0.00 H ATOM 487 N PHE A 34 -1.762 12.040 -1.637 1.00 0.00 N ATOM 488 CA PHE A 34 -2.882 13.031 -1.553 1.00 0.00 C ATOM 489 C PHE A 34 -2.319 14.460 -1.569 1.00 0.00 C ATOM 490 O PHE A 34 -1.122 14.664 -1.655 1.00 0.00 O ATOM 491 CB PHE A 34 -3.648 12.747 -0.239 1.00 0.00 C ATOM 492 CG PHE A 34 -5.179 12.965 -0.296 1.00 0.00 C ATOM 493 CD1 PHE A 34 -5.859 13.530 -1.370 1.00 0.00 C ATOM 494 CD2 PHE A 34 -5.912 12.556 0.805 1.00 0.00 C ATOM 495 CE1 PHE A 34 -7.233 13.679 -1.328 1.00 0.00 C ATOM 496 CE2 PHE A 34 -7.281 12.706 0.846 1.00 0.00 C ATOM 497 CZ PHE A 34 -7.944 13.265 -0.223 1.00 0.00 C ATOM 498 H PHE A 34 -1.313 11.748 -0.817 1.00 0.00 H ATOM 499 HA PHE A 34 -3.527 12.905 -2.410 1.00 0.00 H ATOM 500 HB2 PHE A 34 -3.474 11.721 0.049 1.00 0.00 H ATOM 501 HB3 PHE A 34 -3.254 13.377 0.545 1.00 0.00 H ATOM 502 HD1 PHE A 34 -5.328 13.864 -2.248 1.00 0.00 H ATOM 503 HD2 PHE A 34 -5.404 12.116 1.651 1.00 0.00 H ATOM 504 HE1 PHE A 34 -7.753 14.118 -2.166 1.00 0.00 H ATOM 505 HE2 PHE A 34 -7.832 12.381 1.715 1.00 0.00 H ATOM 506 HZ PHE A 34 -9.017 13.380 -0.192 1.00 0.00 H ATOM 507 N GLU A 35 -3.216 15.407 -1.474 1.00 0.00 N ATOM 508 CA GLU A 35 -2.817 16.846 -1.481 1.00 0.00 C ATOM 509 C GLU A 35 -2.583 17.259 -0.023 1.00 0.00 C ATOM 510 O GLU A 35 -3.482 17.238 0.796 1.00 0.00 O ATOM 511 CB GLU A 35 -3.957 17.656 -2.123 1.00 0.00 C ATOM 512 CG GLU A 35 -3.515 19.124 -2.314 1.00 0.00 C ATOM 513 CD GLU A 35 -4.640 19.916 -3.009 1.00 0.00 C ATOM 514 OE1 GLU A 35 -4.933 19.571 -4.144 1.00 0.00 O ATOM 515 OE2 GLU A 35 -5.147 20.822 -2.369 1.00 0.00 O ATOM 516 H GLU A 35 -4.163 15.168 -1.398 1.00 0.00 H ATOM 517 HA GLU A 35 -1.905 16.968 -2.049 1.00 0.00 H ATOM 518 HB2 GLU A 35 -4.204 17.221 -3.080 1.00 0.00 H ATOM 519 HB3 GLU A 35 -4.834 17.620 -1.493 1.00 0.00 H ATOM 520 HG2 GLU A 35 -3.295 19.577 -1.358 1.00 0.00 H ATOM 521 HG3 GLU A 35 -2.629 19.169 -2.932 1.00 0.00 H ATOM 522 N GLY A 36 -1.352 17.621 0.228 1.00 0.00 N ATOM 523 CA GLY A 36 -0.898 18.054 1.585 1.00 0.00 C ATOM 524 C GLY A 36 0.308 17.189 1.989 1.00 0.00 C ATOM 525 O GLY A 36 0.910 17.397 3.025 1.00 0.00 O ATOM 526 H GLY A 36 -0.699 17.608 -0.503 1.00 0.00 H ATOM 527 HA2 GLY A 36 -0.599 19.092 1.548 1.00 0.00 H ATOM 528 HA3 GLY A 36 -1.690 17.924 2.309 1.00 0.00 H ATOM 529 N PHE A 37 0.611 16.240 1.135 1.00 0.00 N ATOM 530 CA PHE A 37 1.745 15.292 1.329 1.00 0.00 C ATOM 531 C PHE A 37 2.720 15.526 0.180 1.00 0.00 C ATOM 532 O PHE A 37 2.311 15.557 -0.966 1.00 0.00 O ATOM 533 CB PHE A 37 1.178 13.851 1.306 1.00 0.00 C ATOM 534 CG PHE A 37 0.607 13.540 2.695 1.00 0.00 C ATOM 535 CD1 PHE A 37 1.461 13.237 3.742 1.00 0.00 C ATOM 536 CD2 PHE A 37 -0.756 13.570 2.924 1.00 0.00 C ATOM 537 CE1 PHE A 37 0.960 12.970 4.997 1.00 0.00 C ATOM 538 CE2 PHE A 37 -1.257 13.302 4.180 1.00 0.00 C ATOM 539 CZ PHE A 37 -0.400 13.002 5.218 1.00 0.00 C ATOM 540 H PHE A 37 0.072 16.139 0.324 1.00 0.00 H ATOM 541 HA PHE A 37 2.245 15.500 2.265 1.00 0.00 H ATOM 542 HB2 PHE A 37 0.379 13.790 0.580 1.00 0.00 H ATOM 543 HB3 PHE A 37 1.926 13.113 1.049 1.00 0.00 H ATOM 544 HD1 PHE A 37 2.528 13.210 3.576 1.00 0.00 H ATOM 545 HD2 PHE A 37 -1.434 13.804 2.115 1.00 0.00 H ATOM 546 HE1 PHE A 37 1.634 12.734 5.809 1.00 0.00 H ATOM 547 HE2 PHE A 37 -2.323 13.328 4.353 1.00 0.00 H ATOM 548 HZ PHE A 37 -0.792 12.794 6.202 1.00 0.00 H ATOM 549 N GLY A 38 3.976 15.681 0.513 1.00 0.00 N ATOM 550 CA GLY A 38 4.994 15.915 -0.552 1.00 0.00 C ATOM 551 C GLY A 38 5.403 14.522 -1.000 1.00 0.00 C ATOM 552 O GLY A 38 5.636 13.654 -0.177 1.00 0.00 O ATOM 553 H GLY A 38 4.250 15.645 1.455 1.00 0.00 H ATOM 554 HA2 GLY A 38 4.568 16.473 -1.374 1.00 0.00 H ATOM 555 HA3 GLY A 38 5.845 16.436 -0.139 1.00 0.00 H ATOM 556 N ILE A 39 5.487 14.344 -2.290 1.00 0.00 N ATOM 557 CA ILE A 39 5.870 13.013 -2.815 1.00 0.00 C ATOM 558 C ILE A 39 7.341 12.957 -3.234 1.00 0.00 C ATOM 559 O ILE A 39 7.902 13.862 -3.824 1.00 0.00 O ATOM 560 CB ILE A 39 4.909 12.741 -3.981 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.054 11.269 -4.402 1.00 0.00 C ATOM 562 CG2 ILE A 39 5.226 13.681 -5.186 1.00 0.00 C ATOM 563 CD1 ILE A 39 4.036 10.914 -5.509 1.00 0.00 C ATOM 564 H ILE A 39 5.298 15.065 -2.920 1.00 0.00 H ATOM 565 HA ILE A 39 5.695 12.263 -2.055 1.00 0.00 H ATOM 566 HB ILE A 39 3.904 12.945 -3.642 1.00 0.00 H ATOM 567 HG12 ILE A 39 6.058 11.096 -4.754 1.00 0.00 H ATOM 568 HG13 ILE A 39 4.881 10.646 -3.537 1.00 0.00 H ATOM 569 HG21 ILE A 39 6.036 14.357 -4.965 1.00 0.00 H ATOM 570 HG22 ILE A 39 5.494 13.110 -6.062 1.00 0.00 H ATOM 571 HG23 ILE A 39 4.361 14.281 -5.413 1.00 0.00 H ATOM 572 HD11 ILE A 39 3.437 11.770 -5.788 1.00 0.00 H ATOM 573 HD12 ILE A 39 4.565 10.565 -6.383 1.00 0.00 H ATOM 574 HD13 ILE A 39 3.375 10.131 -5.166 1.00 0.00 H ATOM 575 N ASP A 40 7.904 11.845 -2.874 1.00 0.00 N ATOM 576 CA ASP A 40 9.320 11.519 -3.156 1.00 0.00 C ATOM 577 C ASP A 40 9.271 10.088 -3.707 1.00 0.00 C ATOM 578 O ASP A 40 8.561 9.250 -3.177 1.00 0.00 O ATOM 579 CB ASP A 40 10.054 11.653 -1.821 1.00 0.00 C ATOM 580 CG ASP A 40 11.519 11.195 -1.926 1.00 0.00 C ATOM 581 OD1 ASP A 40 11.712 9.998 -2.066 1.00 0.00 O ATOM 582 OD2 ASP A 40 12.366 12.071 -1.863 1.00 0.00 O ATOM 583 H ASP A 40 7.375 11.189 -2.381 1.00 0.00 H ATOM 584 HA ASP A 40 9.717 12.191 -3.905 1.00 0.00 H ATOM 585 HB2 ASP A 40 10.025 12.689 -1.507 1.00 0.00 H ATOM 586 HB3 ASP A 40 9.538 11.063 -1.081 1.00 0.00 H ATOM 587 N GLY A 41 10.020 9.853 -4.752 1.00 0.00 N ATOM 588 CA GLY A 41 10.044 8.498 -5.372 1.00 0.00 C ATOM 589 C GLY A 41 9.093 8.551 -6.580 1.00 0.00 C ATOM 590 O GLY A 41 8.478 9.570 -6.835 1.00 0.00 O ATOM 591 H GLY A 41 10.570 10.562 -5.140 1.00 0.00 H ATOM 592 HA2 GLY A 41 11.050 8.283 -5.700 1.00 0.00 H ATOM 593 HA3 GLY A 41 9.712 7.745 -4.669 1.00 0.00 H ATOM 594 N PRO A 42 8.993 7.461 -7.299 1.00 0.00 N ATOM 595 CA PRO A 42 7.845 7.185 -8.208 1.00 0.00 C ATOM 596 C PRO A 42 6.481 7.185 -7.484 1.00 0.00 C ATOM 597 O PRO A 42 6.412 7.375 -6.284 1.00 0.00 O ATOM 598 CB PRO A 42 8.193 5.841 -8.832 1.00 0.00 C ATOM 599 CG PRO A 42 9.734 5.774 -8.721 1.00 0.00 C ATOM 600 CD PRO A 42 10.006 6.373 -7.343 1.00 0.00 C ATOM 601 HA PRO A 42 7.826 7.949 -8.974 1.00 0.00 H ATOM 602 HB2 PRO A 42 7.726 5.028 -8.294 1.00 0.00 H ATOM 603 HB3 PRO A 42 7.901 5.820 -9.870 1.00 0.00 H ATOM 604 HG2 PRO A 42 10.055 4.742 -8.772 1.00 0.00 H ATOM 605 HG3 PRO A 42 10.217 6.358 -9.486 1.00 0.00 H ATOM 606 HD2 PRO A 42 9.832 5.657 -6.579 1.00 0.00 H ATOM 607 HD3 PRO A 42 11.002 6.773 -7.236 1.00 0.00 H ATOM 608 N ALA A 43 5.444 6.970 -8.258 1.00 0.00 N ATOM 609 CA ALA A 43 4.043 6.939 -7.720 1.00 0.00 C ATOM 610 C ALA A 43 3.290 5.682 -8.218 1.00 0.00 C ATOM 611 O ALA A 43 2.104 5.726 -8.480 1.00 0.00 O ATOM 612 CB ALA A 43 3.346 8.236 -8.194 1.00 0.00 C ATOM 613 H ALA A 43 5.590 6.824 -9.216 1.00 0.00 H ATOM 614 HA ALA A 43 4.070 6.913 -6.640 1.00 0.00 H ATOM 615 HB1 ALA A 43 4.034 8.826 -8.782 1.00 0.00 H ATOM 616 HB2 ALA A 43 2.486 8.024 -8.812 1.00 0.00 H ATOM 617 HB3 ALA A 43 3.029 8.825 -7.348 1.00 0.00 H ATOM 618 N ILE A 44 4.005 4.592 -8.330 1.00 0.00 N ATOM 619 CA ILE A 44 3.412 3.301 -8.811 1.00 0.00 C ATOM 620 C ILE A 44 3.955 2.106 -8.037 1.00 0.00 C ATOM 621 O ILE A 44 4.952 2.194 -7.346 1.00 0.00 O ATOM 622 CB ILE A 44 3.723 3.090 -10.341 1.00 0.00 C ATOM 623 CG1 ILE A 44 5.218 2.739 -10.668 1.00 0.00 C ATOM 624 CG2 ILE A 44 3.276 4.323 -11.171 1.00 0.00 C ATOM 625 CD1 ILE A 44 6.212 3.728 -10.065 1.00 0.00 C ATOM 626 H ILE A 44 4.950 4.622 -8.084 1.00 0.00 H ATOM 627 HA ILE A 44 2.339 3.331 -8.684 1.00 0.00 H ATOM 628 HB ILE A 44 3.138 2.251 -10.689 1.00 0.00 H ATOM 629 HG12 ILE A 44 5.456 1.753 -10.295 1.00 0.00 H ATOM 630 HG13 ILE A 44 5.370 2.727 -11.737 1.00 0.00 H ATOM 631 HG21 ILE A 44 2.878 5.098 -10.540 1.00 0.00 H ATOM 632 HG22 ILE A 44 4.102 4.741 -11.723 1.00 0.00 H ATOM 633 HG23 ILE A 44 2.498 4.044 -11.864 1.00 0.00 H ATOM 634 HD11 ILE A 44 5.729 4.579 -9.624 1.00 0.00 H ATOM 635 HD12 ILE A 44 6.811 3.238 -9.314 1.00 0.00 H ATOM 636 HD13 ILE A 44 6.852 4.121 -10.832 1.00 0.00 H ATOM 637 N ALA A 45 3.243 1.024 -8.198 1.00 0.00 N ATOM 638 CA ALA A 45 3.604 -0.266 -7.532 1.00 0.00 C ATOM 639 C ALA A 45 3.462 -1.394 -8.557 1.00 0.00 C ATOM 640 O ALA A 45 2.863 -1.183 -9.593 1.00 0.00 O ATOM 641 CB ALA A 45 2.658 -0.478 -6.362 1.00 0.00 C ATOM 642 H ALA A 45 2.455 1.072 -8.776 1.00 0.00 H ATOM 643 HA ALA A 45 4.631 -0.226 -7.202 1.00 0.00 H ATOM 644 HB1 ALA A 45 1.987 0.361 -6.314 1.00 0.00 H ATOM 645 HB2 ALA A 45 2.072 -1.376 -6.478 1.00 0.00 H ATOM 646 HB3 ALA A 45 3.206 -0.530 -5.435 1.00 0.00 H ATOM 647 N LYS A 46 4.004 -2.545 -8.247 1.00 0.00 N ATOM 648 CA LYS A 46 3.914 -3.715 -9.190 1.00 0.00 C ATOM 649 C LYS A 46 3.396 -4.967 -8.461 1.00 0.00 C ATOM 650 O LYS A 46 3.481 -5.023 -7.256 1.00 0.00 O ATOM 651 CB LYS A 46 5.329 -3.962 -9.766 1.00 0.00 C ATOM 652 CG LYS A 46 5.323 -3.734 -11.302 1.00 0.00 C ATOM 653 CD LYS A 46 6.743 -3.911 -11.902 1.00 0.00 C ATOM 654 CE LYS A 46 7.679 -2.769 -11.449 1.00 0.00 C ATOM 655 NZ LYS A 46 9.006 -2.910 -12.114 1.00 0.00 N ATOM 656 H LYS A 46 4.473 -2.640 -7.390 1.00 0.00 H ATOM 657 HA LYS A 46 3.216 -3.481 -9.979 1.00 0.00 H ATOM 658 HB2 LYS A 46 6.026 -3.278 -9.302 1.00 0.00 H ATOM 659 HB3 LYS A 46 5.646 -4.968 -9.539 1.00 0.00 H ATOM 660 HG2 LYS A 46 4.655 -4.442 -11.771 1.00 0.00 H ATOM 661 HG3 LYS A 46 4.968 -2.736 -11.521 1.00 0.00 H ATOM 662 HD2 LYS A 46 7.157 -4.859 -11.586 1.00 0.00 H ATOM 663 HD3 LYS A 46 6.678 -3.912 -12.980 1.00 0.00 H ATOM 664 HE2 LYS A 46 7.259 -1.812 -11.719 1.00 0.00 H ATOM 665 HE3 LYS A 46 7.833 -2.798 -10.380 1.00 0.00 H ATOM 666 HZ1 LYS A 46 9.000 -3.746 -12.732 1.00 0.00 H ATOM 667 HZ2 LYS A 46 9.198 -2.061 -12.683 1.00 0.00 H ATOM 668 HZ3 LYS A 46 9.746 -3.017 -11.392 1.00 0.00 H ATOM 669 N CYS A 47 2.879 -5.936 -9.177 1.00 0.00 N ATOM 670 CA CYS A 47 2.365 -7.179 -8.498 1.00 0.00 C ATOM 671 C CYS A 47 3.452 -8.254 -8.436 1.00 0.00 C ATOM 672 O CYS A 47 3.987 -8.658 -9.450 1.00 0.00 O ATOM 673 CB CYS A 47 1.156 -7.778 -9.261 1.00 0.00 C ATOM 674 SG CYS A 47 0.768 -9.526 -8.956 1.00 0.00 S ATOM 675 H CYS A 47 2.819 -5.833 -10.146 1.00 0.00 H ATOM 676 HA CYS A 47 2.052 -6.936 -7.491 1.00 0.00 H ATOM 677 HB2 CYS A 47 0.276 -7.202 -9.024 1.00 0.00 H ATOM 678 HB3 CYS A 47 1.338 -7.673 -10.322 1.00 0.00 H ATOM 679 N LEU A 48 3.723 -8.670 -7.223 1.00 0.00 N ATOM 680 CA LEU A 48 4.747 -9.717 -6.948 1.00 0.00 C ATOM 681 C LEU A 48 4.037 -10.888 -6.268 1.00 0.00 C ATOM 682 O LEU A 48 4.197 -11.153 -5.091 1.00 0.00 O ATOM 683 CB LEU A 48 5.865 -9.180 -6.004 1.00 0.00 C ATOM 684 CG LEU A 48 6.783 -8.117 -6.674 1.00 0.00 C ATOM 685 CD1 LEU A 48 7.931 -7.809 -5.638 1.00 0.00 C ATOM 686 CD2 LEU A 48 7.440 -8.655 -7.996 1.00 0.00 C ATOM 687 H LEU A 48 3.247 -8.298 -6.455 1.00 0.00 H ATOM 688 HA LEU A 48 5.151 -10.077 -7.879 1.00 0.00 H ATOM 689 HB2 LEU A 48 5.366 -8.686 -5.182 1.00 0.00 H ATOM 690 HB3 LEU A 48 6.442 -9.999 -5.603 1.00 0.00 H ATOM 691 HG LEU A 48 6.218 -7.228 -6.895 1.00 0.00 H ATOM 692 HD11 LEU A 48 7.720 -8.265 -4.682 1.00 0.00 H ATOM 693 HD12 LEU A 48 8.888 -8.184 -5.970 1.00 0.00 H ATOM 694 HD13 LEU A 48 8.036 -6.751 -5.471 1.00 0.00 H ATOM 695 HD21 LEU A 48 6.998 -9.578 -8.333 1.00 0.00 H ATOM 696 HD22 LEU A 48 7.302 -7.919 -8.774 1.00 0.00 H ATOM 697 HD23 LEU A 48 8.500 -8.826 -7.888 1.00 0.00 H ATOM 698 N GLY A 49 3.241 -11.543 -7.069 1.00 0.00 N ATOM 699 CA GLY A 49 2.460 -12.724 -6.613 1.00 0.00 C ATOM 700 C GLY A 49 1.331 -12.445 -5.621 1.00 0.00 C ATOM 701 O GLY A 49 0.175 -12.409 -5.983 1.00 0.00 O ATOM 702 H GLY A 49 3.153 -11.248 -7.999 1.00 0.00 H ATOM 703 HA2 GLY A 49 2.040 -13.184 -7.488 1.00 0.00 H ATOM 704 HA3 GLY A 49 3.145 -13.421 -6.149 1.00 0.00 H ATOM 705 N GLU A 50 1.729 -12.252 -4.392 1.00 0.00 N ATOM 706 CA GLU A 50 0.771 -11.972 -3.277 1.00 0.00 C ATOM 707 C GLU A 50 0.985 -10.578 -2.701 1.00 0.00 C ATOM 708 O GLU A 50 0.044 -9.967 -2.231 1.00 0.00 O ATOM 709 CB GLU A 50 0.978 -13.037 -2.191 1.00 0.00 C ATOM 710 CG GLU A 50 -0.039 -12.849 -1.038 1.00 0.00 C ATOM 711 CD GLU A 50 0.104 -14.005 -0.030 1.00 0.00 C ATOM 712 OE1 GLU A 50 1.168 -14.087 0.562 1.00 0.00 O ATOM 713 OE2 GLU A 50 -0.860 -14.743 0.090 1.00 0.00 O ATOM 714 H GLU A 50 2.687 -12.293 -4.206 1.00 0.00 H ATOM 715 HA GLU A 50 -0.244 -12.035 -3.649 1.00 0.00 H ATOM 716 HB2 GLU A 50 0.850 -14.012 -2.631 1.00 0.00 H ATOM 717 HB3 GLU A 50 1.985 -12.965 -1.802 1.00 0.00 H ATOM 718 HG2 GLU A 50 0.149 -11.921 -0.518 1.00 0.00 H ATOM 719 HG3 GLU A 50 -1.047 -12.829 -1.429 1.00 0.00 H ATOM 720 N LYS A 51 2.205 -10.112 -2.751 1.00 0.00 N ATOM 721 CA LYS A 51 2.499 -8.753 -2.203 1.00 0.00 C ATOM 722 C LYS A 51 2.677 -7.796 -3.376 1.00 0.00 C ATOM 723 O LYS A 51 2.707 -8.205 -4.521 1.00 0.00 O ATOM 724 CB LYS A 51 3.809 -8.762 -1.390 1.00 0.00 C ATOM 725 CG LYS A 51 3.801 -9.861 -0.305 1.00 0.00 C ATOM 726 CD LYS A 51 5.088 -9.743 0.553 1.00 0.00 C ATOM 727 CE LYS A 51 4.953 -8.581 1.561 1.00 0.00 C ATOM 728 NZ LYS A 51 6.242 -8.375 2.282 1.00 0.00 N ATOM 729 H LYS A 51 2.924 -10.645 -3.153 1.00 0.00 H ATOM 730 HA LYS A 51 1.684 -8.414 -1.583 1.00 0.00 H ATOM 731 HB2 LYS A 51 4.642 -8.933 -2.059 1.00 0.00 H ATOM 732 HB3 LYS A 51 3.938 -7.791 -0.934 1.00 0.00 H ATOM 733 HG2 LYS A 51 2.928 -9.753 0.321 1.00 0.00 H ATOM 734 HG3 LYS A 51 3.773 -10.834 -0.773 1.00 0.00 H ATOM 735 HD2 LYS A 51 5.256 -10.668 1.082 1.00 0.00 H ATOM 736 HD3 LYS A 51 5.940 -9.560 -0.087 1.00 0.00 H ATOM 737 HE2 LYS A 51 4.684 -7.659 1.070 1.00 0.00 H ATOM 738 HE3 LYS A 51 4.194 -8.823 2.292 1.00 0.00 H ATOM 739 HZ1 LYS A 51 6.952 -9.050 1.931 1.00 0.00 H ATOM 740 HZ2 LYS A 51 6.576 -7.404 2.115 1.00 0.00 H ATOM 741 HZ3 LYS A 51 6.097 -8.521 3.301 1.00 0.00 H ATOM 742 N TRP A 52 2.791 -6.535 -3.053 1.00 0.00 N ATOM 743 CA TRP A 52 2.981 -5.513 -4.121 1.00 0.00 C ATOM 744 C TRP A 52 4.402 -4.968 -3.944 1.00 0.00 C ATOM 745 O TRP A 52 4.982 -5.078 -2.881 1.00 0.00 O ATOM 746 CB TRP A 52 1.883 -4.422 -3.951 1.00 0.00 C ATOM 747 CG TRP A 52 0.565 -5.086 -4.406 1.00 0.00 C ATOM 748 CD1 TRP A 52 -0.277 -5.827 -3.628 1.00 0.00 C ATOM 749 CD2 TRP A 52 0.080 -5.063 -5.667 1.00 0.00 C ATOM 750 NE1 TRP A 52 -1.213 -6.200 -4.479 1.00 0.00 N ATOM 751 CE2 TRP A 52 -1.091 -5.787 -5.729 1.00 0.00 C ATOM 752 CE3 TRP A 52 0.563 -4.451 -6.805 1.00 0.00 C ATOM 753 CZ2 TRP A 52 -1.772 -5.913 -6.923 1.00 0.00 C ATOM 754 CZ3 TRP A 52 -0.112 -4.575 -7.998 1.00 0.00 C ATOM 755 CH2 TRP A 52 -1.282 -5.305 -8.058 1.00 0.00 C ATOM 756 H TRP A 52 2.752 -6.265 -2.111 1.00 0.00 H ATOM 757 HA TRP A 52 2.899 -5.975 -5.091 1.00 0.00 H ATOM 758 HB2 TRP A 52 1.790 -4.109 -2.921 1.00 0.00 H ATOM 759 HB3 TRP A 52 2.093 -3.566 -4.574 1.00 0.00 H ATOM 760 HD1 TRP A 52 -0.205 -6.052 -2.575 1.00 0.00 H ATOM 761 HE1 TRP A 52 -1.972 -6.754 -4.197 1.00 0.00 H ATOM 762 HE3 TRP A 52 1.474 -3.873 -6.763 1.00 0.00 H ATOM 763 HZ2 TRP A 52 -2.686 -6.488 -6.965 1.00 0.00 H ATOM 764 HZ3 TRP A 52 0.276 -4.094 -8.883 1.00 0.00 H ATOM 765 HH2 TRP A 52 -1.812 -5.400 -8.994 1.00 0.00 H ATOM 766 N SER A 53 4.915 -4.389 -4.997 1.00 0.00 N ATOM 767 CA SER A 53 6.299 -3.814 -5.003 1.00 0.00 C ATOM 768 C SER A 53 6.265 -2.282 -4.998 1.00 0.00 C ATOM 769 O SER A 53 5.218 -1.747 -5.295 1.00 0.00 O ATOM 770 CB SER A 53 7.002 -4.350 -6.227 1.00 0.00 C ATOM 771 OG SER A 53 8.377 -4.063 -6.010 1.00 0.00 O ATOM 772 H SER A 53 4.368 -4.341 -5.800 1.00 0.00 H ATOM 773 HA SER A 53 6.805 -4.136 -4.108 1.00 0.00 H ATOM 774 HB2 SER A 53 6.846 -5.410 -6.295 1.00 0.00 H ATOM 775 HB3 SER A 53 6.659 -3.869 -7.127 1.00 0.00 H ATOM 776 HG SER A 53 8.479 -3.668 -5.141 1.00 0.00 H ATOM 777 N HIS A 54 7.416 -1.683 -4.704 1.00 0.00 N ATOM 778 CA HIS A 54 7.653 -0.172 -4.607 1.00 0.00 C ATOM 779 C HIS A 54 6.364 0.413 -4.056 1.00 0.00 C ATOM 780 O HIS A 54 5.406 0.588 -4.776 1.00 0.00 O ATOM 781 CB HIS A 54 7.946 0.702 -5.970 1.00 0.00 C ATOM 782 CG HIS A 54 7.933 2.246 -5.534 1.00 0.00 C ATOM 783 ND1 HIS A 54 8.815 3.190 -5.724 1.00 0.00 N ATOM 784 CD2 HIS A 54 6.977 2.973 -4.817 1.00 0.00 C ATOM 785 CE1 HIS A 54 8.411 4.315 -5.169 1.00 0.00 C ATOM 786 NE2 HIS A 54 7.268 4.204 -4.596 1.00 0.00 N ATOM 787 H HIS A 54 8.188 -2.280 -4.557 1.00 0.00 H ATOM 788 HA HIS A 54 8.485 -0.025 -3.939 1.00 0.00 H ATOM 789 HB2 HIS A 54 8.928 0.489 -6.381 1.00 0.00 H ATOM 790 HB3 HIS A 54 7.196 0.558 -6.741 1.00 0.00 H ATOM 791 HD1 HIS A 54 9.664 3.124 -6.217 1.00 0.00 H ATOM 792 HD2 HIS A 54 6.048 2.592 -4.454 1.00 0.00 H ATOM 793 HE1 HIS A 54 8.912 5.264 -5.116 1.00 0.00 H ATOM 794 N PRO A 55 6.385 0.710 -2.781 1.00 0.00 N ATOM 795 CA PRO A 55 5.585 1.789 -2.153 1.00 0.00 C ATOM 796 C PRO A 55 6.261 3.183 -2.075 1.00 0.00 C ATOM 797 O PRO A 55 7.422 3.275 -1.735 1.00 0.00 O ATOM 798 CB PRO A 55 5.303 1.214 -0.806 1.00 0.00 C ATOM 799 CG PRO A 55 6.728 0.617 -0.468 1.00 0.00 C ATOM 800 CD PRO A 55 7.158 -0.082 -1.781 1.00 0.00 C ATOM 801 HA PRO A 55 4.652 1.852 -2.687 1.00 0.00 H ATOM 802 HB2 PRO A 55 5.021 2.010 -0.122 1.00 0.00 H ATOM 803 HB3 PRO A 55 4.537 0.447 -0.861 1.00 0.00 H ATOM 804 HG2 PRO A 55 7.441 1.410 -0.251 1.00 0.00 H ATOM 805 HG3 PRO A 55 6.684 -0.075 0.356 1.00 0.00 H ATOM 806 HD2 PRO A 55 8.218 -0.003 -1.950 1.00 0.00 H ATOM 807 HD3 PRO A 55 6.848 -1.130 -1.789 1.00 0.00 H ATOM 808 N PRO A 56 5.538 4.256 -2.362 1.00 0.00 N ATOM 809 CA PRO A 56 6.089 5.635 -2.395 1.00 0.00 C ATOM 810 C PRO A 56 6.420 6.199 -1.033 1.00 0.00 C ATOM 811 O PRO A 56 6.124 5.608 -0.013 1.00 0.00 O ATOM 812 CB PRO A 56 5.036 6.514 -3.077 1.00 0.00 C ATOM 813 CG PRO A 56 3.718 5.772 -2.783 1.00 0.00 C ATOM 814 CD PRO A 56 4.095 4.250 -2.678 1.00 0.00 C ATOM 815 HA PRO A 56 6.991 5.675 -2.978 1.00 0.00 H ATOM 816 HB2 PRO A 56 4.982 7.477 -2.583 1.00 0.00 H ATOM 817 HB3 PRO A 56 5.229 6.677 -4.130 1.00 0.00 H ATOM 818 HG2 PRO A 56 3.259 6.131 -1.870 1.00 0.00 H ATOM 819 HG3 PRO A 56 3.037 5.932 -3.614 1.00 0.00 H ATOM 820 HD2 PRO A 56 3.537 3.797 -1.873 1.00 0.00 H ATOM 821 HD3 PRO A 56 3.915 3.739 -3.601 1.00 0.00 H ATOM 822 N SER A 57 7.030 7.355 -1.106 1.00 0.00 N ATOM 823 CA SER A 57 7.426 8.090 0.109 1.00 0.00 C ATOM 824 C SER A 57 6.614 9.373 0.028 1.00 0.00 C ATOM 825 O SER A 57 6.979 10.293 -0.676 1.00 0.00 O ATOM 826 CB SER A 57 8.938 8.356 0.047 1.00 0.00 C ATOM 827 OG SER A 57 9.539 7.067 0.014 1.00 0.00 O ATOM 828 H SER A 57 7.227 7.753 -1.982 1.00 0.00 H ATOM 829 HA SER A 57 7.156 7.523 0.985 1.00 0.00 H ATOM 830 HB2 SER A 57 9.223 8.903 -0.839 1.00 0.00 H ATOM 831 HB3 SER A 57 9.256 8.882 0.930 1.00 0.00 H ATOM 832 HG SER A 57 8.852 6.396 0.013 1.00 0.00 H ATOM 833 N CYS A 58 5.518 9.386 0.741 1.00 0.00 N ATOM 834 CA CYS A 58 4.626 10.584 0.753 1.00 0.00 C ATOM 835 C CYS A 58 4.921 11.316 2.073 1.00 0.00 C ATOM 836 O CYS A 58 4.206 11.198 3.050 1.00 0.00 O ATOM 837 CB CYS A 58 3.149 10.135 0.698 1.00 0.00 C ATOM 838 SG CYS A 58 2.591 9.097 -0.677 1.00 0.00 S ATOM 839 H CYS A 58 5.279 8.597 1.269 1.00 0.00 H ATOM 840 HA CYS A 58 4.854 11.231 -0.080 1.00 0.00 H ATOM 841 HB2 CYS A 58 2.923 9.599 1.608 1.00 0.00 H ATOM 842 HB3 CYS A 58 2.537 11.026 0.690 1.00 0.00 H ATOM 843 N ILE A 59 5.998 12.061 2.033 1.00 0.00 N ATOM 844 CA ILE A 59 6.459 12.848 3.217 1.00 0.00 C ATOM 845 C ILE A 59 6.109 14.347 3.066 1.00 0.00 C ATOM 846 O ILE A 59 5.447 14.828 3.971 1.00 0.00 O ATOM 847 CB ILE A 59 8.007 12.599 3.352 1.00 0.00 C ATOM 848 CG1 ILE A 59 8.774 12.972 2.034 1.00 0.00 C ATOM 849 CG2 ILE A 59 8.583 13.401 4.557 1.00 0.00 C ATOM 850 CD1 ILE A 59 10.266 12.592 2.138 1.00 0.00 C ATOM 851 OXT ILE A 59 6.502 14.940 2.076 1.00 0.00 O ATOM 852 H ILE A 59 6.514 12.103 1.201 1.00 0.00 H ATOM 853 HA ILE A 59 5.979 12.459 4.105 1.00 0.00 H ATOM 854 HB ILE A 59 8.158 11.547 3.544 1.00 0.00 H ATOM 855 HG12 ILE A 59 8.343 12.452 1.193 1.00 0.00 H ATOM 856 HG13 ILE A 59 8.714 14.032 1.845 1.00 0.00 H ATOM 857 HG21 ILE A 59 7.806 13.933 5.087 1.00 0.00 H ATOM 858 HG22 ILE A 59 9.053 12.717 5.250 1.00 0.00 H ATOM 859 HG23 ILE A 59 9.325 14.114 4.230 1.00 0.00 H ATOM 860 HD11 ILE A 59 10.500 12.160 3.099 1.00 0.00 H ATOM 861 HD12 ILE A 59 10.518 11.878 1.366 1.00 0.00 H ATOM 862 HD13 ILE A 59 10.874 13.475 1.999 1.00 0.00 H TER 863 ILE A 59 CONECT 63 674 CONECT 482 838 CONECT 674 63 CONECT 838 482 MASTER 115 0 0 0 8 3 0 6 862 1 4 5 END