HEADER NEUROTOXIN 25-NOV-96 1VIB TITLE NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: NEUROTOXIN B-IV; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CEREBRATULUS LACTEUS; SOURCE 3 ORGANISM_COMMON: MILKY RIBBON WORM KEYWDS NEUROTOXIN, TOXIN, HYDROXYLATION EXPDTA NMR, 20 STRUCTURES AUTHOR K.J.BARNHAM,T.R.DYKE,W.R.KEM,R.S.NORTON REVDAT 1 15-MAY-97 1VIB 0 JRNL AUTH K.J.BARNHAM,T.R.DYKE,W.R.KEM,R.S.NORTON JRNL TITL STRUCTURE OF NEUROTOXIN B-IV FROM THE MARINE WORM JRNL TITL 2 CEREBRATULUS LACTEUS: A HELICAL HAIRPIN JRNL TITL 3 CROSS-LINKED BY DISULPHIDE BONDING. JRNL REF J.MOL.BIOL. V. 268 886 1997 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.E.HANSEN,W.R.KEM,A.L.BIEBER,R.S.NORTON REMARK 1 TITL 1H-NMR STUDY OF NEUROTOXIN B-IV FROM THE MARINE REMARK 1 TITL 2 WORM CEREBRATULUS LACTEUS. SOLUTION PROPERTIES, REMARK 1 TITL 3 SEQUENCE-SPECIFIC RESONANCE ASSIGNMENTS, SECONDARY REMARK 1 TITL 4 STRUCTURE AND GLOBAL FOLD REMARK 1 REF EUR.J.BIOCHEM. V. 210 231 1992 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 REMARK 1 REFERENCE 2 REMARK 1 AUTH W.R.KEM,C.K.TU,R.W.WILLIAMS,A.TOUMADJE, REMARK 1 AUTH 2 W.C.JOHNSON JUNIOR REMARK 1 TITL CIRCULAR DICHROISM AND LASER RAMAN SPECTROSCOPIC REMARK 1 TITL 2 ANALYSIS OF THE SECONDARY STRUCTURE OF REMARK 1 TITL 3 CEREBRATULUS LACTEUS TOXIN B-IV REMARK 1 REF J.PROTEIN CHEM. V. 9 433 1990 REMARK 1 REFN ASTM JPCHD2 UK ISSN 0277-8033 REMARK 1 REFERENCE 3 REMARK 1 AUTH K.M.BLUMENTHAL,P.S.KEIM,R.L.HEINRIKSON,W.R.KEM REMARK 1 TITL STRUCTURE AND ACTION OF HETERONEMERTINE REMARK 1 TITL 2 POLYPEPTIDE TOXINS. AMINO ACID SEQUENCE OF REMARK 1 TITL 3 CEREBRATULUS LACTEUS TOXIN B-II AND REVISED REMARK 1 TITL 4 STRUCTURE OF TOXIN B-IV REMARK 1 REF J.BIOL.CHEM. V. 256 9063 1981 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 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 1VIB 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 3.100 (2007-03-17) REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : 5.0 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 : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 15 TRP A 5 178.59 108.35 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 TYR A 9 HYP A 10 1 -148.82 REMARK 500 TYR A 9 HYP A 10 5 -145.65 REMARK 500 TYR A 9 HYP A 10 16 -144.89 DBREF 1VIB A 1 55 UNP P01525 NXB4_CERLA 1 55 SEQADV 1VIB HYP A 10 UNP P01525 PRO 10 CONFLICT SEQRES 1 A 55 ALA SER ALA THR TRP GLY ALA ALA TYR HYP ALA CYS GLU SEQRES 2 A 55 ASN ASN CYS ARG LYS LYS TYR ASP LEU CYS ILE ARG CYS SEQRES 3 A 55 GLN GLY LYS TRP ALA GLY LYS ARG GLY LYS CYS ALA ALA SEQRES 4 A 55 HIS CYS ILE ILE GLN LYS ASN ASN CYS LYS GLY LYS CYS SEQRES 5 A 55 LYS LYS GLU MODRES 1VIB HYP A 10 PRO 4-HYDROXYPROLINE HET HYP A 10 15 HETNAM HYP 4-HYDROXYPROLINE HETSYN HYP HYDROXYPROLINE FORMUL 1 HYP C5 H9 N O3 HELIX 1 1 ALA A 11 CYS A 23 1 13 HELIX 2 2 ARG A 34 LYS A 49 1 16 TURN 1 1 CYS A 23 ARG A 25 INVERSE GAMMA TURN 2 2 ILE A 24 CYS A 26 INVERSE GAMMA TURN 3 3 GLY A 28 ALA A 31 TYPE I TURN 4 4 TRP A 30 LYS A 33 TYPE II SSBOND 1 CYS A 12 CYS A 52 SSBOND 2 CYS A 16 CYS A 48 SSBOND 3 CYS A 23 CYS A 41 SSBOND 4 CYS A 26 CYS A 37 LINK N HYP A 10 C TYR A 9 LINK C HYP A 10 N ALA A 11 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 -6.183 -0.155 -10.320 1.00 0.00 N ATOM 2 CA ALA A 1 -4.951 -0.066 -11.161 1.00 0.00 C ATOM 3 C ALA A 1 -3.974 0.942 -10.549 1.00 0.00 C ATOM 4 O ALA A 1 -2.781 0.719 -10.483 1.00 0.00 O ATOM 5 CB ALA A 1 -5.317 0.388 -12.588 1.00 0.00 C ATOM 6 H2 ALA A 1 -7.017 0.132 -10.871 1.00 0.00 H ATOM 7 HA ALA A 1 -4.471 -1.034 -11.186 1.00 0.00 H ATOM 8 HB1 ALA A 1 -5.942 1.267 -12.560 1.00 0.00 H ATOM 9 HB2 ALA A 1 -4.418 0.622 -13.143 1.00 0.00 H ATOM 10 HB3 ALA A 1 -5.843 -0.400 -13.107 1.00 0.00 H ATOM 11 H1 ALA A 1 -6.094 0.457 -9.480 1.00 0.00 H ATOM 12 H3 ALA A 1 -6.307 -1.137 -10.000 1.00 0.00 H ATOM 13 N SER A 2 -4.513 2.049 -10.128 1.00 0.00 N ATOM 14 CA SER A 2 -3.675 3.123 -9.504 1.00 0.00 C ATOM 15 C SER A 2 -4.439 3.851 -8.392 1.00 0.00 C ATOM 16 O SER A 2 -4.058 3.811 -7.238 1.00 0.00 O ATOM 17 CB SER A 2 -3.245 4.110 -10.617 1.00 0.00 C ATOM 18 OG SER A 2 -2.563 3.296 -11.567 1.00 0.00 O ATOM 19 H SER A 2 -5.480 2.155 -10.229 1.00 0.00 H ATOM 20 HA SER A 2 -2.801 2.673 -9.052 1.00 0.00 H ATOM 21 HB2 SER A 2 -4.088 4.588 -11.096 1.00 0.00 H ATOM 22 HB3 SER A 2 -2.567 4.861 -10.236 1.00 0.00 H ATOM 23 HG SER A 2 -2.410 2.418 -11.187 1.00 0.00 H ATOM 24 N ALA A 3 -5.517 4.495 -8.758 1.00 0.00 N ATOM 25 CA ALA A 3 -6.321 5.238 -7.737 1.00 0.00 C ATOM 26 C ALA A 3 -7.303 4.256 -7.092 1.00 0.00 C ATOM 27 O ALA A 3 -8.507 4.358 -7.225 1.00 0.00 O ATOM 28 CB ALA A 3 -7.071 6.385 -8.445 1.00 0.00 C ATOM 29 H ALA A 3 -5.799 4.488 -9.694 1.00 0.00 H ATOM 30 HA ALA A 3 -5.661 5.632 -6.976 1.00 0.00 H ATOM 31 HB1 ALA A 3 -7.710 5.990 -9.222 1.00 0.00 H ATOM 32 HB2 ALA A 3 -7.694 6.908 -7.732 1.00 0.00 H ATOM 33 HB3 ALA A 3 -6.375 7.087 -8.880 1.00 0.00 H ATOM 34 N THR A 4 -6.730 3.325 -6.388 1.00 0.00 N ATOM 35 CA THR A 4 -7.540 2.277 -5.692 1.00 0.00 C ATOM 36 C THR A 4 -7.599 2.491 -4.163 1.00 0.00 C ATOM 37 O THR A 4 -7.020 1.751 -3.390 1.00 0.00 O ATOM 38 CB THR A 4 -6.907 0.894 -6.046 1.00 0.00 C ATOM 39 OG1 THR A 4 -6.155 1.091 -7.245 1.00 0.00 O ATOM 40 CG2 THR A 4 -7.986 -0.101 -6.477 1.00 0.00 C ATOM 41 H THR A 4 -5.749 3.307 -6.325 1.00 0.00 H ATOM 42 HA THR A 4 -8.553 2.316 -6.070 1.00 0.00 H ATOM 43 HB THR A 4 -6.271 0.504 -5.261 1.00 0.00 H ATOM 44 HG1 THR A 4 -5.239 0.853 -7.069 1.00 0.00 H ATOM 45 HG21 THR A 4 -8.709 -0.228 -5.684 1.00 0.00 H ATOM 46 HG22 THR A 4 -8.493 0.258 -7.362 1.00 0.00 H ATOM 47 HG23 THR A 4 -7.543 -1.060 -6.701 1.00 0.00 H ATOM 48 N TRP A 5 -8.313 3.513 -3.771 1.00 0.00 N ATOM 49 CA TRP A 5 -8.460 3.845 -2.314 1.00 0.00 C ATOM 50 C TRP A 5 -9.947 3.997 -1.944 1.00 0.00 C ATOM 51 O TRP A 5 -10.809 3.855 -2.788 1.00 0.00 O ATOM 52 CB TRP A 5 -7.712 5.158 -2.029 1.00 0.00 C ATOM 53 CG TRP A 5 -6.204 4.909 -1.894 1.00 0.00 C ATOM 54 CD1 TRP A 5 -5.211 5.428 -2.687 1.00 0.00 C ATOM 55 CD2 TRP A 5 -5.552 4.134 -0.957 1.00 0.00 C ATOM 56 NE1 TRP A 5 -4.031 5.031 -2.303 1.00 0.00 N ATOM 57 CE2 TRP A 5 -4.197 4.253 -1.267 1.00 0.00 C ATOM 58 CE3 TRP A 5 -5.938 3.341 0.121 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.235 3.587 -0.511 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -4.978 2.672 0.881 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.627 2.795 0.566 1.00 0.00 C ATOM 62 H TRP A 5 -8.765 4.066 -4.444 1.00 0.00 H ATOM 63 HA TRP A 5 -8.049 3.035 -1.726 1.00 0.00 H ATOM 64 HB2 TRP A 5 -7.889 5.854 -2.835 1.00 0.00 H ATOM 65 HB3 TRP A 5 -8.059 5.608 -1.116 1.00 0.00 H ATOM 66 HD1 TRP A 5 -5.377 6.084 -3.528 1.00 0.00 H ATOM 67 HE1 TRP A 5 -3.176 5.270 -2.715 1.00 0.00 H ATOM 68 HE3 TRP A 5 -6.982 3.242 0.367 1.00 0.00 H ATOM 69 HZ2 TRP A 5 -2.188 3.683 -0.758 1.00 0.00 H ATOM 70 HZ3 TRP A 5 -5.283 2.059 1.716 1.00 0.00 H ATOM 71 HH2 TRP A 5 -2.883 2.277 1.156 1.00 0.00 H ATOM 72 N GLY A 6 -10.205 4.284 -0.690 1.00 0.00 N ATOM 73 CA GLY A 6 -11.621 4.461 -0.209 1.00 0.00 C ATOM 74 C GLY A 6 -12.036 3.462 0.856 1.00 0.00 C ATOM 75 O GLY A 6 -12.840 3.785 1.703 1.00 0.00 O ATOM 76 H GLY A 6 -9.466 4.390 -0.057 1.00 0.00 H ATOM 77 HA2 GLY A 6 -11.704 5.428 0.258 1.00 0.00 H ATOM 78 HA3 GLY A 6 -12.307 4.412 -1.043 1.00 0.00 H ATOM 79 N ALA A 7 -11.476 2.287 0.789 1.00 0.00 N ATOM 80 CA ALA A 7 -11.821 1.234 1.800 1.00 0.00 C ATOM 81 C ALA A 7 -10.862 1.337 2.991 1.00 0.00 C ATOM 82 O ALA A 7 -10.895 0.532 3.897 1.00 0.00 O ATOM 83 CB ALA A 7 -11.701 -0.155 1.142 1.00 0.00 C ATOM 84 H ALA A 7 -10.836 2.100 0.074 1.00 0.00 H ATOM 85 HA ALA A 7 -12.828 1.401 2.166 1.00 0.00 H ATOM 86 HB1 ALA A 7 -12.285 -0.186 0.234 1.00 0.00 H ATOM 87 HB2 ALA A 7 -10.670 -0.387 0.915 1.00 0.00 H ATOM 88 HB3 ALA A 7 -12.081 -0.900 1.828 1.00 0.00 H ATOM 89 N ALA A 8 -10.020 2.338 2.953 1.00 0.00 N ATOM 90 CA ALA A 8 -9.039 2.549 4.059 1.00 0.00 C ATOM 91 C ALA A 8 -9.564 3.657 4.987 1.00 0.00 C ATOM 92 O ALA A 8 -9.513 3.524 6.193 1.00 0.00 O ATOM 93 CB ALA A 8 -7.680 2.954 3.457 1.00 0.00 C ATOM 94 H ALA A 8 -10.050 2.937 2.185 1.00 0.00 H ATOM 95 HA ALA A 8 -8.940 1.637 4.634 1.00 0.00 H ATOM 96 HB1 ALA A 8 -7.399 2.268 2.672 1.00 0.00 H ATOM 97 HB2 ALA A 8 -7.714 3.959 3.064 1.00 0.00 H ATOM 98 HB3 ALA A 8 -6.930 2.917 4.235 1.00 0.00 H ATOM 99 N TYR A 9 -10.056 4.725 4.409 1.00 0.00 N ATOM 100 CA TYR A 9 -10.589 5.851 5.244 1.00 0.00 C ATOM 101 C TYR A 9 -12.125 5.950 5.401 1.00 0.00 C ATOM 102 O TYR A 9 -12.571 6.948 5.932 1.00 0.00 O ATOM 103 CB TYR A 9 -10.064 7.193 4.658 1.00 0.00 C ATOM 104 CG TYR A 9 -10.239 7.288 3.141 1.00 0.00 C ATOM 105 CD1 TYR A 9 -11.482 7.492 2.575 1.00 0.00 C ATOM 106 CD2 TYR A 9 -9.137 7.175 2.320 1.00 0.00 C ATOM 107 CE1 TYR A 9 -11.607 7.579 1.206 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.263 7.263 0.954 1.00 0.00 C ATOM 109 CZ TYR A 9 -10.502 7.465 0.386 1.00 0.00 C ATOM 110 OH TYR A 9 -10.650 7.540 -0.984 1.00 0.00 O ATOM 111 H TYR A 9 -10.079 4.791 3.434 1.00 0.00 H ATOM 112 HA TYR A 9 -10.184 5.752 6.242 1.00 0.00 H ATOM 113 HB2 TYR A 9 -10.601 8.019 5.094 1.00 0.00 H ATOM 114 HB3 TYR A 9 -9.017 7.302 4.885 1.00 0.00 H ATOM 115 HD1 TYR A 9 -12.360 7.587 3.202 1.00 0.00 H ATOM 116 HD2 TYR A 9 -8.160 7.020 2.753 1.00 0.00 H ATOM 117 HE1 TYR A 9 -12.577 7.737 0.764 1.00 0.00 H ATOM 118 HE2 TYR A 9 -8.382 7.178 0.336 1.00 0.00 H ATOM 119 HH TYR A 9 -9.780 7.607 -1.385 1.00 0.00 H HETATM 120 N HYP A 10 -12.915 4.987 4.983 1.00 0.00 N HETATM 121 CA HYP A 10 -14.309 5.225 4.472 1.00 0.00 C HETATM 122 C HYP A 10 -15.071 6.108 5.443 1.00 0.00 C HETATM 123 O HYP A 10 -15.747 7.060 5.088 1.00 0.00 O HETATM 124 CB HYP A 10 -14.981 3.845 4.303 1.00 0.00 C HETATM 125 CG HYP A 10 -14.026 2.905 5.051 1.00 0.00 C HETATM 126 CD HYP A 10 -12.635 3.529 4.948 1.00 0.00 C HETATM 127 OD1 HYP A 10 -13.986 1.743 4.241 1.00 0.00 O HETATM 128 HA HYP A 10 -14.241 5.759 3.549 1.00 0.00 H HETATM 129 HB2 HYP A 10 -15.037 3.581 3.256 1.00 0.00 H HETATM 130 HB3 HYP A 10 -15.970 3.812 4.739 1.00 0.00 H HETATM 131 HG HYP A 10 -14.341 2.667 6.056 1.00 0.00 H HETATM 132 HD22 HYP A 10 -12.159 3.281 4.014 1.00 0.00 H HETATM 133 HD23 HYP A 10 -12.015 3.240 5.784 1.00 0.00 H HETATM 134 HD1 HYP A 10 -13.300 1.158 4.575 1.00 0.00 H ATOM 135 N ALA A 11 -14.904 5.713 6.667 1.00 0.00 N ATOM 136 CA ALA A 11 -15.526 6.402 7.826 1.00 0.00 C ATOM 137 C ALA A 11 -15.448 7.928 7.628 1.00 0.00 C ATOM 138 O ALA A 11 -16.440 8.621 7.692 1.00 0.00 O ATOM 139 CB ALA A 11 -14.759 5.962 9.045 1.00 0.00 C ATOM 140 H ALA A 11 -14.335 4.926 6.795 1.00 0.00 H ATOM 141 HA ALA A 11 -16.562 6.105 7.892 1.00 0.00 H ATOM 142 HB1 ALA A 11 -13.701 6.077 8.855 1.00 0.00 H ATOM 143 HB2 ALA A 11 -15.045 6.561 9.893 1.00 0.00 H ATOM 144 HB3 ALA A 11 -14.971 4.920 9.232 1.00 0.00 H ATOM 145 N CYS A 12 -14.236 8.360 7.398 1.00 0.00 N ATOM 146 CA CYS A 12 -13.853 9.794 7.163 1.00 0.00 C ATOM 147 C CYS A 12 -14.891 10.586 6.371 1.00 0.00 C ATOM 148 O CYS A 12 -15.051 11.773 6.568 1.00 0.00 O ATOM 149 CB CYS A 12 -12.547 9.835 6.393 1.00 0.00 C ATOM 150 SG CYS A 12 -11.921 11.435 5.816 1.00 0.00 S ATOM 151 H CYS A 12 -13.528 7.680 7.367 1.00 0.00 H ATOM 152 HA CYS A 12 -13.721 10.276 8.121 1.00 0.00 H ATOM 153 HB2 CYS A 12 -11.764 9.303 6.914 1.00 0.00 H ATOM 154 HB3 CYS A 12 -12.776 9.315 5.475 1.00 0.00 H ATOM 155 N GLU A 13 -15.534 9.857 5.499 1.00 0.00 N ATOM 156 CA GLU A 13 -16.588 10.426 4.611 1.00 0.00 C ATOM 157 C GLU A 13 -17.981 9.958 5.063 1.00 0.00 C ATOM 158 O GLU A 13 -18.937 10.710 5.124 1.00 0.00 O ATOM 159 CB GLU A 13 -16.258 9.949 3.187 1.00 0.00 C ATOM 160 CG GLU A 13 -16.830 10.904 2.140 1.00 0.00 C ATOM 161 CD GLU A 13 -18.339 10.660 1.997 1.00 0.00 C ATOM 162 OE1 GLU A 13 -18.654 9.650 1.387 1.00 0.00 O ATOM 163 OE2 GLU A 13 -19.094 11.476 2.493 1.00 0.00 O ATOM 164 H GLU A 13 -15.306 8.905 5.440 1.00 0.00 H ATOM 165 HA GLU A 13 -16.548 11.502 4.675 1.00 0.00 H ATOM 166 HB2 GLU A 13 -15.187 9.899 3.065 1.00 0.00 H ATOM 167 HB3 GLU A 13 -16.650 8.953 3.035 1.00 0.00 H ATOM 168 HG2 GLU A 13 -16.644 11.930 2.415 1.00 0.00 H ATOM 169 HG3 GLU A 13 -16.355 10.710 1.190 1.00 0.00 H ATOM 170 N ASN A 14 -18.066 8.695 5.373 1.00 0.00 N ATOM 171 CA ASN A 14 -19.377 8.117 5.833 1.00 0.00 C ATOM 172 C ASN A 14 -19.951 8.949 6.987 1.00 0.00 C ATOM 173 O ASN A 14 -21.146 9.145 7.112 1.00 0.00 O ATOM 174 CB ASN A 14 -19.158 6.671 6.300 1.00 0.00 C ATOM 175 CG ASN A 14 -18.474 5.837 5.214 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.052 4.725 5.446 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.328 6.310 4.010 1.00 0.00 N ATOM 178 H ASN A 14 -17.258 8.135 5.303 1.00 0.00 H ATOM 179 HA ASN A 14 -20.078 8.148 5.012 1.00 0.00 H ATOM 180 HB2 ASN A 14 -18.543 6.655 7.186 1.00 0.00 H ATOM 181 HB3 ASN A 14 -20.107 6.212 6.535 1.00 0.00 H ATOM 182 HD21 ASN A 14 -18.628 7.210 3.768 1.00 0.00 H ATOM 183 HD22 ASN A 14 -17.901 5.731 3.348 1.00 0.00 H ATOM 184 N ASN A 15 -19.057 9.421 7.804 1.00 0.00 N ATOM 185 CA ASN A 15 -19.411 10.262 8.993 1.00 0.00 C ATOM 186 C ASN A 15 -20.284 11.428 8.536 1.00 0.00 C ATOM 187 O ASN A 15 -21.229 11.770 9.216 1.00 0.00 O ATOM 188 CB ASN A 15 -18.113 10.821 9.668 1.00 0.00 C ATOM 189 CG ASN A 15 -17.204 11.462 8.610 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.476 11.368 7.436 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.123 12.117 8.921 1.00 0.00 N ATOM 192 H ASN A 15 -18.118 9.221 7.609 1.00 0.00 H ATOM 193 HA ASN A 15 -19.984 9.678 9.698 1.00 0.00 H ATOM 194 HB2 ASN A 15 -18.365 11.567 10.407 1.00 0.00 H ATOM 195 HB3 ASN A 15 -17.573 10.019 10.145 1.00 0.00 H ATOM 196 HD21 ASN A 15 -15.832 12.243 9.844 1.00 0.00 H ATOM 197 HD22 ASN A 15 -15.595 12.488 8.169 1.00 0.00 H ATOM 198 N CYS A 16 -19.967 11.988 7.401 1.00 0.00 N ATOM 199 CA CYS A 16 -20.740 13.131 6.871 1.00 0.00 C ATOM 200 C CYS A 16 -21.985 12.634 6.166 1.00 0.00 C ATOM 201 O CYS A 16 -22.909 13.397 5.967 1.00 0.00 O ATOM 202 CB CYS A 16 -19.868 13.899 5.906 1.00 0.00 C ATOM 203 SG CYS A 16 -18.295 14.564 6.512 1.00 0.00 S ATOM 204 H CYS A 16 -19.206 11.652 6.876 1.00 0.00 H ATOM 205 HA CYS A 16 -21.015 13.776 7.682 1.00 0.00 H ATOM 206 HB2 CYS A 16 -19.642 13.242 5.077 1.00 0.00 H ATOM 207 HB3 CYS A 16 -20.430 14.737 5.526 1.00 0.00 H ATOM 208 N ARG A 17 -21.998 11.376 5.803 1.00 0.00 N ATOM 209 CA ARG A 17 -23.228 10.874 5.106 1.00 0.00 C ATOM 210 C ARG A 17 -24.276 10.857 6.215 1.00 0.00 C ATOM 211 O ARG A 17 -25.360 11.398 6.073 1.00 0.00 O ATOM 212 CB ARG A 17 -22.983 9.448 4.530 1.00 0.00 C ATOM 213 CG ARG A 17 -24.337 8.697 4.391 1.00 0.00 C ATOM 214 CD ARG A 17 -24.273 7.628 3.290 1.00 0.00 C ATOM 215 NE ARG A 17 -24.491 8.310 1.979 1.00 0.00 N ATOM 216 CZ ARG A 17 -25.577 8.093 1.292 1.00 0.00 C ATOM 217 NH1 ARG A 17 -26.729 8.289 1.863 1.00 0.00 N ATOM 218 NH2 ARG A 17 -25.476 7.690 0.060 1.00 0.00 N ATOM 219 H ARG A 17 -21.218 10.798 5.994 1.00 0.00 H ATOM 220 HA ARG A 17 -23.523 11.575 4.344 1.00 0.00 H ATOM 221 HB2 ARG A 17 -22.513 9.543 3.561 1.00 0.00 H ATOM 222 HB3 ARG A 17 -22.320 8.891 5.167 1.00 0.00 H ATOM 223 HG2 ARG A 17 -24.582 8.224 5.331 1.00 0.00 H ATOM 224 HG3 ARG A 17 -25.121 9.403 4.153 1.00 0.00 H ATOM 225 HD2 ARG A 17 -23.306 7.146 3.277 1.00 0.00 H ATOM 226 HD3 ARG A 17 -25.038 6.882 3.446 1.00 0.00 H ATOM 227 HE ARG A 17 -23.805 8.920 1.639 1.00 0.00 H ATOM 228 HH11 ARG A 17 -26.769 8.598 2.815 1.00 0.00 H ATOM 229 HH12 ARG A 17 -27.583 8.136 1.366 1.00 0.00 H ATOM 230 HH21 ARG A 17 -24.576 7.557 -0.354 1.00 0.00 H ATOM 231 HH22 ARG A 17 -26.296 7.506 -0.481 1.00 0.00 H ATOM 232 N LYS A 18 -23.894 10.235 7.301 1.00 0.00 N ATOM 233 CA LYS A 18 -24.830 10.163 8.455 1.00 0.00 C ATOM 234 C LYS A 18 -25.095 11.634 8.815 1.00 0.00 C ATOM 235 O LYS A 18 -26.226 12.076 8.808 1.00 0.00 O ATOM 236 CB LYS A 18 -24.144 9.410 9.618 1.00 0.00 C ATOM 237 CG LYS A 18 -24.080 7.885 9.316 1.00 0.00 C ATOM 238 CD LYS A 18 -25.084 7.093 10.207 1.00 0.00 C ATOM 239 CE LYS A 18 -24.631 5.615 10.322 1.00 0.00 C ATOM 240 NZ LYS A 18 -25.748 4.748 10.808 1.00 0.00 N ATOM 241 H LYS A 18 -22.999 9.825 7.345 1.00 0.00 H ATOM 242 HA LYS A 18 -25.755 9.695 8.147 1.00 0.00 H ATOM 243 HB2 LYS A 18 -23.138 9.787 9.739 1.00 0.00 H ATOM 244 HB3 LYS A 18 -24.681 9.591 10.535 1.00 0.00 H ATOM 245 HG2 LYS A 18 -24.302 7.696 8.275 1.00 0.00 H ATOM 246 HG3 LYS A 18 -23.073 7.545 9.508 1.00 0.00 H ATOM 247 HD2 LYS A 18 -25.125 7.524 11.197 1.00 0.00 H ATOM 248 HD3 LYS A 18 -26.072 7.142 9.772 1.00 0.00 H ATOM 249 HE2 LYS A 18 -24.313 5.245 9.358 1.00 0.00 H ATOM 250 HE3 LYS A 18 -23.807 5.533 11.015 1.00 0.00 H ATOM 251 HZ1 LYS A 18 -26.606 5.320 10.943 1.00 0.00 H ATOM 252 HZ2 LYS A 18 -25.940 4.010 10.100 1.00 0.00 H ATOM 253 HZ3 LYS A 18 -25.488 4.295 11.708 1.00 0.00 H ATOM 254 N LYS A 19 -24.036 12.349 9.112 1.00 0.00 N ATOM 255 CA LYS A 19 -24.169 13.803 9.476 1.00 0.00 C ATOM 256 C LYS A 19 -25.212 14.534 8.615 1.00 0.00 C ATOM 257 O LYS A 19 -26.151 15.113 9.124 1.00 0.00 O ATOM 258 CB LYS A 19 -22.796 14.498 9.314 1.00 0.00 C ATOM 259 CG LYS A 19 -22.515 15.463 10.475 1.00 0.00 C ATOM 260 CD LYS A 19 -23.514 16.660 10.491 1.00 0.00 C ATOM 261 CE LYS A 19 -24.589 16.484 11.589 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.955 16.220 12.906 1.00 0.00 N ATOM 263 H LYS A 19 -23.144 11.931 9.094 1.00 0.00 H ATOM 264 HA LYS A 19 -24.489 13.859 10.504 1.00 0.00 H ATOM 265 HB2 LYS A 19 -22.031 13.757 9.397 1.00 0.00 H ATOM 266 HB3 LYS A 19 -22.685 14.976 8.351 1.00 0.00 H ATOM 267 HG2 LYS A 19 -22.532 14.883 11.389 1.00 0.00 H ATOM 268 HG3 LYS A 19 -21.516 15.853 10.353 1.00 0.00 H ATOM 269 HD2 LYS A 19 -22.964 17.569 10.691 1.00 0.00 H ATOM 270 HD3 LYS A 19 -23.993 16.769 9.529 1.00 0.00 H ATOM 271 HE2 LYS A 19 -25.168 17.390 11.681 1.00 0.00 H ATOM 272 HE3 LYS A 19 -25.257 15.669 11.362 1.00 0.00 H ATOM 273 HZ1 LYS A 19 -22.919 16.217 12.812 1.00 0.00 H ATOM 274 HZ2 LYS A 19 -24.236 16.960 13.580 1.00 0.00 H ATOM 275 HZ3 LYS A 19 -24.262 15.292 13.261 1.00 0.00 H ATOM 276 N TYR A 20 -25.034 14.488 7.326 1.00 0.00 N ATOM 277 CA TYR A 20 -25.970 15.154 6.369 1.00 0.00 C ATOM 278 C TYR A 20 -27.413 14.779 6.707 1.00 0.00 C ATOM 279 O TYR A 20 -28.320 15.588 6.722 1.00 0.00 O ATOM 280 CB TYR A 20 -25.568 14.687 4.943 1.00 0.00 C ATOM 281 CG TYR A 20 -26.753 14.524 3.977 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.563 15.594 3.693 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.013 13.316 3.362 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.607 15.479 2.814 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.066 13.195 2.476 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.868 14.279 2.198 1.00 0.00 C ATOM 287 OH TYR A 20 -29.911 14.168 1.307 1.00 0.00 O ATOM 288 H TYR A 20 -24.266 13.992 6.978 1.00 0.00 H ATOM 289 HA TYR A 20 -25.864 16.226 6.484 1.00 0.00 H ATOM 290 HB2 TYR A 20 -24.885 15.400 4.509 1.00 0.00 H ATOM 291 HB3 TYR A 20 -25.056 13.740 4.995 1.00 0.00 H ATOM 292 HD1 TYR A 20 -27.382 16.537 4.175 1.00 0.00 H ATOM 293 HD2 TYR A 20 -26.396 12.457 3.580 1.00 0.00 H ATOM 294 HE1 TYR A 20 -29.218 16.344 2.614 1.00 0.00 H ATOM 295 HE2 TYR A 20 -28.260 12.243 2.004 1.00 0.00 H ATOM 296 HH TYR A 20 -30.609 14.768 1.590 1.00 0.00 H ATOM 297 N ASP A 21 -27.559 13.521 6.989 1.00 0.00 N ATOM 298 CA ASP A 21 -28.892 12.966 7.334 1.00 0.00 C ATOM 299 C ASP A 21 -29.234 13.220 8.798 1.00 0.00 C ATOM 300 O ASP A 21 -30.377 13.104 9.195 1.00 0.00 O ATOM 301 CB ASP A 21 -28.840 11.481 7.013 1.00 0.00 C ATOM 302 CG ASP A 21 -29.396 11.263 5.594 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.585 11.490 5.431 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.601 10.881 4.748 1.00 0.00 O ATOM 305 H ASP A 21 -26.767 12.930 6.974 1.00 0.00 H ATOM 306 HA ASP A 21 -29.636 13.470 6.730 1.00 0.00 H ATOM 307 HB2 ASP A 21 -27.814 11.150 7.044 1.00 0.00 H ATOM 308 HB3 ASP A 21 -29.400 10.903 7.726 1.00 0.00 H ATOM 309 N LEU A 22 -28.245 13.564 9.573 1.00 0.00 N ATOM 310 CA LEU A 22 -28.466 13.850 11.028 1.00 0.00 C ATOM 311 C LEU A 22 -28.408 15.376 11.238 1.00 0.00 C ATOM 312 O LEU A 22 -28.473 15.858 12.351 1.00 0.00 O ATOM 313 CB LEU A 22 -27.359 13.162 11.854 1.00 0.00 C ATOM 314 CG LEU A 22 -27.418 11.616 11.697 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.157 11.001 12.343 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.670 11.065 12.413 1.00 0.00 C ATOM 317 H LEU A 22 -27.340 13.622 9.190 1.00 0.00 H ATOM 318 HA LEU A 22 -29.444 13.505 11.332 1.00 0.00 H ATOM 319 HB2 LEU A 22 -26.401 13.532 11.523 1.00 0.00 H ATOM 320 HB3 LEU A 22 -27.481 13.436 12.892 1.00 0.00 H ATOM 321 HG LEU A 22 -27.459 11.348 10.651 1.00 0.00 H ATOM 322 HD11 LEU A 22 -26.082 11.302 13.378 1.00 0.00 H ATOM 323 HD12 LEU A 22 -26.200 9.922 12.301 1.00 0.00 H ATOM 324 HD13 LEU A 22 -25.269 11.333 11.824 1.00 0.00 H ATOM 325 HD21 LEU A 22 -28.744 11.456 13.418 1.00 0.00 H ATOM 326 HD22 LEU A 22 -29.561 11.342 11.867 1.00 0.00 H ATOM 327 HD23 LEU A 22 -28.631 9.986 12.464 1.00 0.00 H ATOM 328 N CYS A 23 -28.289 16.087 10.143 1.00 0.00 N ATOM 329 CA CYS A 23 -28.214 17.584 10.138 1.00 0.00 C ATOM 330 C CYS A 23 -29.502 18.221 9.586 1.00 0.00 C ATOM 331 O CYS A 23 -29.804 19.367 9.865 1.00 0.00 O ATOM 332 CB CYS A 23 -26.986 17.977 9.281 1.00 0.00 C ATOM 333 SG CYS A 23 -26.900 19.600 8.479 1.00 0.00 S ATOM 334 H CYS A 23 -28.229 15.614 9.288 1.00 0.00 H ATOM 335 HA CYS A 23 -28.061 17.932 11.146 1.00 0.00 H ATOM 336 HB2 CYS A 23 -26.108 17.891 9.898 1.00 0.00 H ATOM 337 HB3 CYS A 23 -26.886 17.251 8.488 1.00 0.00 H ATOM 338 N ILE A 24 -30.244 17.466 8.819 1.00 0.00 N ATOM 339 CA ILE A 24 -31.507 18.028 8.251 1.00 0.00 C ATOM 340 C ILE A 24 -32.607 18.142 9.320 1.00 0.00 C ATOM 341 O ILE A 24 -33.585 17.423 9.395 1.00 0.00 O ATOM 342 CB ILE A 24 -31.929 17.109 7.048 1.00 0.00 C ATOM 343 CG1 ILE A 24 -31.200 17.672 5.829 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.415 17.242 6.694 1.00 0.00 C ATOM 345 CD1 ILE A 24 -31.088 16.595 4.749 1.00 0.00 C ATOM 346 H ILE A 24 -29.960 16.552 8.619 1.00 0.00 H ATOM 347 HA ILE A 24 -31.294 19.020 7.874 1.00 0.00 H ATOM 348 HB ILE A 24 -31.673 16.076 7.241 1.00 0.00 H ATOM 349 HG12 ILE A 24 -31.755 18.528 5.467 1.00 0.00 H ATOM 350 HG13 ILE A 24 -30.232 18.031 6.135 1.00 0.00 H ATOM 351 HG21 ILE A 24 -33.708 18.240 6.956 1.00 0.00 H ATOM 352 HG22 ILE A 24 -33.590 17.104 5.638 1.00 0.00 H ATOM 353 HG23 ILE A 24 -34.006 16.535 7.251 1.00 0.00 H ATOM 354 HD11 ILE A 24 -31.956 15.952 4.756 1.00 0.00 H ATOM 355 HD12 ILE A 24 -31.009 17.071 3.786 1.00 0.00 H ATOM 356 HD13 ILE A 24 -30.209 15.996 4.938 1.00 0.00 H ATOM 357 N ARG A 25 -32.417 19.096 10.177 1.00 0.00 N ATOM 358 CA ARG A 25 -33.386 19.355 11.273 1.00 0.00 C ATOM 359 C ARG A 25 -34.221 20.480 10.694 1.00 0.00 C ATOM 360 O ARG A 25 -34.297 21.577 11.213 1.00 0.00 O ATOM 361 CB ARG A 25 -32.601 19.785 12.508 1.00 0.00 C ATOM 362 CG ARG A 25 -31.765 18.593 13.088 1.00 0.00 C ATOM 363 CD ARG A 25 -32.606 17.302 13.275 1.00 0.00 C ATOM 364 NE ARG A 25 -32.664 16.564 11.969 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.302 15.313 11.851 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.498 14.492 12.845 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.759 14.945 10.723 1.00 0.00 N ATOM 368 H ARG A 25 -31.611 19.654 10.105 1.00 0.00 H ATOM 369 HA ARG A 25 -34.027 18.505 11.457 1.00 0.00 H ATOM 370 HB2 ARG A 25 -31.908 20.549 12.196 1.00 0.00 H ATOM 371 HB3 ARG A 25 -33.274 20.242 13.221 1.00 0.00 H ATOM 372 HG2 ARG A 25 -30.935 18.387 12.426 1.00 0.00 H ATOM 373 HG3 ARG A 25 -31.360 18.883 14.046 1.00 0.00 H ATOM 374 HD2 ARG A 25 -32.147 16.678 14.027 1.00 0.00 H ATOM 375 HD3 ARG A 25 -33.612 17.543 13.586 1.00 0.00 H ATOM 376 HE ARG A 25 -32.986 17.037 11.173 1.00 0.00 H ATOM 377 HH11 ARG A 25 -32.920 14.845 13.682 1.00 0.00 H ATOM 378 HH12 ARG A 25 -32.234 13.528 12.775 1.00 0.00 H ATOM 379 HH21 ARG A 25 -31.646 15.626 9.999 1.00 0.00 H ATOM 380 HH22 ARG A 25 -31.452 14.004 10.553 1.00 0.00 H ATOM 381 N CYS A 26 -34.852 20.137 9.597 1.00 0.00 N ATOM 382 CA CYS A 26 -35.719 21.133 8.889 1.00 0.00 C ATOM 383 C CYS A 26 -36.805 21.683 9.807 1.00 0.00 C ATOM 384 O CYS A 26 -37.454 22.674 9.540 1.00 0.00 O ATOM 385 CB CYS A 26 -36.407 20.521 7.728 1.00 0.00 C ATOM 386 SG CYS A 26 -35.308 19.712 6.544 1.00 0.00 S ATOM 387 H CYS A 26 -34.747 19.216 9.261 1.00 0.00 H ATOM 388 HA CYS A 26 -35.088 21.885 8.456 1.00 0.00 H ATOM 389 HB2 CYS A 26 -37.177 19.857 8.055 1.00 0.00 H ATOM 390 HB3 CYS A 26 -36.908 21.334 7.229 1.00 0.00 H ATOM 391 N GLN A 27 -36.949 20.973 10.887 1.00 0.00 N ATOM 392 CA GLN A 27 -37.946 21.319 11.914 1.00 0.00 C ATOM 393 C GLN A 27 -37.224 21.891 13.128 1.00 0.00 C ATOM 394 O GLN A 27 -36.103 21.517 13.413 1.00 0.00 O ATOM 395 CB GLN A 27 -38.712 20.075 12.350 1.00 0.00 C ATOM 396 CG GLN A 27 -37.699 18.922 12.613 1.00 0.00 C ATOM 397 CD GLN A 27 -37.548 18.062 11.351 1.00 0.00 C ATOM 398 OE1 GLN A 27 -37.117 16.934 11.390 1.00 0.00 O ATOM 399 NE2 GLN A 27 -37.887 18.563 10.198 1.00 0.00 N ATOM 400 H GLN A 27 -36.374 20.196 11.022 1.00 0.00 H ATOM 401 HA GLN A 27 -38.606 22.028 11.465 1.00 0.00 H ATOM 402 HB2 GLN A 27 -39.237 20.288 13.270 1.00 0.00 H ATOM 403 HB3 GLN A 27 -39.452 19.789 11.616 1.00 0.00 H ATOM 404 HG2 GLN A 27 -36.717 19.293 12.882 1.00 0.00 H ATOM 405 HG3 GLN A 27 -38.063 18.333 13.440 1.00 0.00 H ATOM 406 HE21 GLN A 27 -38.222 19.487 10.137 1.00 0.00 H ATOM 407 HE22 GLN A 27 -37.801 18.006 9.398 1.00 0.00 H ATOM 408 N GLY A 28 -37.884 22.774 13.821 1.00 0.00 N ATOM 409 CA GLY A 28 -37.248 23.379 15.024 1.00 0.00 C ATOM 410 C GLY A 28 -35.976 24.131 14.618 1.00 0.00 C ATOM 411 O GLY A 28 -36.022 25.301 14.293 1.00 0.00 O ATOM 412 H GLY A 28 -38.787 23.038 13.551 1.00 0.00 H ATOM 413 HA2 GLY A 28 -37.954 24.041 15.485 1.00 0.00 H ATOM 414 HA3 GLY A 28 -36.994 22.595 15.723 1.00 0.00 H ATOM 415 N LYS A 29 -34.887 23.408 14.652 1.00 0.00 N ATOM 416 CA LYS A 29 -33.538 23.947 14.294 1.00 0.00 C ATOM 417 C LYS A 29 -33.635 24.772 13.008 1.00 0.00 C ATOM 418 O LYS A 29 -33.167 25.893 12.953 1.00 0.00 O ATOM 419 CB LYS A 29 -32.597 22.753 14.119 1.00 0.00 C ATOM 420 CG LYS A 29 -31.138 23.188 13.877 1.00 0.00 C ATOM 421 CD LYS A 29 -30.204 21.952 13.989 1.00 0.00 C ATOM 422 CE LYS A 29 -29.168 22.146 15.108 1.00 0.00 C ATOM 423 NZ LYS A 29 -28.205 23.221 14.740 1.00 0.00 N ATOM 424 H LYS A 29 -34.966 22.464 14.910 1.00 0.00 H ATOM 425 HA LYS A 29 -33.198 24.590 15.094 1.00 0.00 H ATOM 426 HB2 LYS A 29 -32.655 22.117 14.990 1.00 0.00 H ATOM 427 HB3 LYS A 29 -32.939 22.201 13.262 1.00 0.00 H ATOM 428 HG2 LYS A 29 -31.057 23.575 12.873 1.00 0.00 H ATOM 429 HG3 LYS A 29 -30.855 23.964 14.574 1.00 0.00 H ATOM 430 HD2 LYS A 29 -30.774 21.061 14.203 1.00 0.00 H ATOM 431 HD3 LYS A 29 -29.688 21.804 13.050 1.00 0.00 H ATOM 432 HE2 LYS A 29 -29.655 22.419 16.033 1.00 0.00 H ATOM 433 HE3 LYS A 29 -28.616 21.230 15.260 1.00 0.00 H ATOM 434 HZ1 LYS A 29 -28.464 23.624 13.816 1.00 0.00 H ATOM 435 HZ2 LYS A 29 -28.231 23.968 15.463 1.00 0.00 H ATOM 436 HZ3 LYS A 29 -27.246 22.820 14.692 1.00 0.00 H ATOM 437 N TRP A 30 -34.245 24.194 12.003 1.00 0.00 N ATOM 438 CA TRP A 30 -34.383 24.939 10.713 1.00 0.00 C ATOM 439 C TRP A 30 -35.841 25.379 10.484 1.00 0.00 C ATOM 440 O TRP A 30 -36.321 25.313 9.370 1.00 0.00 O ATOM 441 CB TRP A 30 -33.977 24.062 9.531 1.00 0.00 C ATOM 442 CG TRP A 30 -32.492 23.749 9.502 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.783 23.021 10.389 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.582 24.135 8.584 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.515 22.932 10.087 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.359 23.608 8.984 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.691 24.889 7.445 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.232 23.857 8.219 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.577 25.140 6.689 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.352 24.628 7.070 1.00 0.00 C ATOM 451 H TRP A 30 -34.600 23.278 12.089 1.00 0.00 H ATOM 452 HA TRP A 30 -33.733 25.789 10.755 1.00 0.00 H ATOM 453 HB2 TRP A 30 -34.501 23.146 9.630 1.00 0.00 H ATOM 454 HB3 TRP A 30 -34.259 24.514 8.593 1.00 0.00 H ATOM 455 HD1 TRP A 30 -32.264 22.591 11.229 1.00 0.00 H ATOM 456 HE1 TRP A 30 -29.812 22.451 10.567 1.00 0.00 H ATOM 457 HE3 TRP A 30 -32.646 25.251 7.128 1.00 0.00 H ATOM 458 HZ2 TRP A 30 -28.274 23.453 8.512 1.00 0.00 H ATOM 459 HZ3 TRP A 30 -30.681 25.735 5.807 1.00 0.00 H ATOM 460 HH2 TRP A 30 -28.497 24.830 6.468 1.00 0.00 H ATOM 461 N ALA A 31 -36.504 25.808 11.524 1.00 0.00 N ATOM 462 CA ALA A 31 -37.930 26.270 11.462 1.00 0.00 C ATOM 463 C ALA A 31 -38.238 27.275 10.348 1.00 0.00 C ATOM 464 O ALA A 31 -38.419 28.458 10.571 1.00 0.00 O ATOM 465 CB ALA A 31 -38.283 26.875 12.830 1.00 0.00 C ATOM 466 H ALA A 31 -36.052 25.830 12.388 1.00 0.00 H ATOM 467 HA ALA A 31 -38.551 25.416 11.261 1.00 0.00 H ATOM 468 HB1 ALA A 31 -37.601 27.684 13.056 1.00 0.00 H ATOM 469 HB2 ALA A 31 -39.286 27.274 12.808 1.00 0.00 H ATOM 470 HB3 ALA A 31 -38.215 26.130 13.607 1.00 0.00 H ATOM 471 N GLY A 32 -38.282 26.736 9.163 1.00 0.00 N ATOM 472 CA GLY A 32 -38.573 27.570 7.969 1.00 0.00 C ATOM 473 C GLY A 32 -37.373 27.601 7.052 1.00 0.00 C ATOM 474 O GLY A 32 -37.470 27.928 5.890 1.00 0.00 O ATOM 475 H GLY A 32 -38.112 25.763 9.068 1.00 0.00 H ATOM 476 HA2 GLY A 32 -39.384 27.096 7.459 1.00 0.00 H ATOM 477 HA3 GLY A 32 -38.827 28.583 8.254 1.00 0.00 H ATOM 478 N LYS A 33 -36.252 27.235 7.599 1.00 0.00 N ATOM 479 CA LYS A 33 -34.998 27.225 6.799 1.00 0.00 C ATOM 480 C LYS A 33 -34.942 25.959 5.936 1.00 0.00 C ATOM 481 O LYS A 33 -33.959 25.708 5.266 1.00 0.00 O ATOM 482 CB LYS A 33 -33.809 27.315 7.805 1.00 0.00 C ATOM 483 CG LYS A 33 -33.724 28.752 8.357 1.00 0.00 C ATOM 484 CD LYS A 33 -33.444 29.727 7.173 1.00 0.00 C ATOM 485 CE LYS A 33 -32.330 30.721 7.515 1.00 0.00 C ATOM 486 NZ LYS A 33 -31.451 30.915 6.324 1.00 0.00 N ATOM 487 H LYS A 33 -36.246 26.966 8.541 1.00 0.00 H ATOM 488 HA LYS A 33 -35.008 28.072 6.127 1.00 0.00 H ATOM 489 HB2 LYS A 33 -33.901 26.598 8.615 1.00 0.00 H ATOM 490 HB3 LYS A 33 -32.875 27.131 7.302 1.00 0.00 H ATOM 491 HG2 LYS A 33 -34.656 29.019 8.836 1.00 0.00 H ATOM 492 HG3 LYS A 33 -32.937 28.795 9.096 1.00 0.00 H ATOM 493 HD2 LYS A 33 -33.154 29.176 6.290 1.00 0.00 H ATOM 494 HD3 LYS A 33 -34.346 30.275 6.942 1.00 0.00 H ATOM 495 HE2 LYS A 33 -32.765 31.671 7.788 1.00 0.00 H ATOM 496 HE3 LYS A 33 -31.724 30.363 8.333 1.00 0.00 H ATOM 497 HZ1 LYS A 33 -31.770 30.318 5.533 1.00 0.00 H ATOM 498 HZ2 LYS A 33 -31.489 31.912 6.034 1.00 0.00 H ATOM 499 HZ3 LYS A 33 -30.468 30.674 6.564 1.00 0.00 H ATOM 500 N ARG A 34 -36.011 25.203 5.982 1.00 0.00 N ATOM 501 CA ARG A 34 -36.162 23.928 5.206 1.00 0.00 C ATOM 502 C ARG A 34 -35.357 23.943 3.882 1.00 0.00 C ATOM 503 O ARG A 34 -34.425 23.183 3.699 1.00 0.00 O ATOM 504 CB ARG A 34 -37.693 23.746 4.963 1.00 0.00 C ATOM 505 CG ARG A 34 -38.038 22.599 3.976 1.00 0.00 C ATOM 506 CD ARG A 34 -37.193 21.359 4.275 1.00 0.00 C ATOM 507 NE ARG A 34 -37.844 20.162 3.677 1.00 0.00 N ATOM 508 CZ ARG A 34 -37.958 19.069 4.375 1.00 0.00 C ATOM 509 NH1 ARG A 34 -36.923 18.290 4.461 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.087 18.793 4.957 1.00 0.00 N ATOM 511 H ARG A 34 -36.747 25.487 6.559 1.00 0.00 H ATOM 512 HA ARG A 34 -35.802 23.120 5.823 1.00 0.00 H ATOM 513 HB2 ARG A 34 -38.173 23.544 5.910 1.00 0.00 H ATOM 514 HB3 ARG A 34 -38.102 24.668 4.576 1.00 0.00 H ATOM 515 HG2 ARG A 34 -39.086 22.353 4.072 1.00 0.00 H ATOM 516 HG3 ARG A 34 -37.858 22.923 2.961 1.00 0.00 H ATOM 517 HD2 ARG A 34 -36.199 21.459 3.871 1.00 0.00 H ATOM 518 HD3 ARG A 34 -37.124 21.227 5.341 1.00 0.00 H ATOM 519 HE ARG A 34 -38.188 20.196 2.761 1.00 0.00 H ATOM 520 HH11 ARG A 34 -36.068 18.547 4.007 1.00 0.00 H ATOM 521 HH12 ARG A 34 -36.969 17.437 4.979 1.00 0.00 H ATOM 522 HH21 ARG A 34 -39.859 19.421 4.862 1.00 0.00 H ATOM 523 HH22 ARG A 34 -39.189 17.959 5.500 1.00 0.00 H ATOM 524 N GLY A 35 -35.755 24.822 2.996 1.00 0.00 N ATOM 525 CA GLY A 35 -35.086 24.981 1.649 1.00 0.00 C ATOM 526 C GLY A 35 -33.565 24.767 1.682 1.00 0.00 C ATOM 527 O GLY A 35 -32.967 24.267 0.747 1.00 0.00 O ATOM 528 H GLY A 35 -36.517 25.393 3.227 1.00 0.00 H ATOM 529 HA2 GLY A 35 -35.505 24.255 0.970 1.00 0.00 H ATOM 530 HA3 GLY A 35 -35.284 25.970 1.263 1.00 0.00 H ATOM 531 N LYS A 36 -32.996 25.162 2.786 1.00 0.00 N ATOM 532 CA LYS A 36 -31.536 25.029 2.982 1.00 0.00 C ATOM 533 C LYS A 36 -31.243 23.911 3.985 1.00 0.00 C ATOM 534 O LYS A 36 -30.145 23.396 3.919 1.00 0.00 O ATOM 535 CB LYS A 36 -30.985 26.381 3.480 1.00 0.00 C ATOM 536 CG LYS A 36 -30.931 27.389 2.310 1.00 0.00 C ATOM 537 CD LYS A 36 -30.043 28.598 2.706 1.00 0.00 C ATOM 538 CE LYS A 36 -28.578 28.357 2.280 1.00 0.00 C ATOM 539 NZ LYS A 36 -28.460 28.432 0.796 1.00 0.00 N ATOM 540 H LYS A 36 -33.544 25.550 3.498 1.00 0.00 H ATOM 541 HA LYS A 36 -31.072 24.762 2.044 1.00 0.00 H ATOM 542 HB2 LYS A 36 -31.623 26.774 4.258 1.00 0.00 H ATOM 543 HB3 LYS A 36 -29.988 26.242 3.876 1.00 0.00 H ATOM 544 HG2 LYS A 36 -30.542 26.913 1.421 1.00 0.00 H ATOM 545 HG3 LYS A 36 -31.930 27.739 2.095 1.00 0.00 H ATOM 546 HD2 LYS A 36 -30.416 29.489 2.220 1.00 0.00 H ATOM 547 HD3 LYS A 36 -30.083 28.755 3.774 1.00 0.00 H ATOM 548 HE2 LYS A 36 -27.934 29.106 2.714 1.00 0.00 H ATOM 549 HE3 LYS A 36 -28.246 27.381 2.604 1.00 0.00 H ATOM 550 HZ1 LYS A 36 -29.405 28.600 0.395 1.00 0.00 H ATOM 551 HZ2 LYS A 36 -27.821 29.209 0.530 1.00 0.00 H ATOM 552 HZ3 LYS A 36 -28.080 27.533 0.436 1.00 0.00 H ATOM 553 N CYS A 37 -32.159 23.539 4.863 1.00 0.00 N ATOM 554 CA CYS A 37 -31.865 22.428 5.850 1.00 0.00 C ATOM 555 C CYS A 37 -31.332 21.284 5.037 1.00 0.00 C ATOM 556 O CYS A 37 -30.461 20.531 5.421 1.00 0.00 O ATOM 557 CB CYS A 37 -33.128 21.909 6.566 1.00 0.00 C ATOM 558 SG CYS A 37 -34.424 21.210 5.516 1.00 0.00 S ATOM 559 H CYS A 37 -33.043 23.968 4.878 1.00 0.00 H ATOM 560 HA CYS A 37 -31.083 22.712 6.532 1.00 0.00 H ATOM 561 HB2 CYS A 37 -32.753 21.097 7.159 1.00 0.00 H ATOM 562 HB3 CYS A 37 -33.570 22.624 7.253 1.00 0.00 H ATOM 563 N ALA A 38 -31.929 21.223 3.885 1.00 0.00 N ATOM 564 CA ALA A 38 -31.539 20.165 2.949 1.00 0.00 C ATOM 565 C ALA A 38 -30.214 20.517 2.286 1.00 0.00 C ATOM 566 O ALA A 38 -29.189 20.072 2.765 1.00 0.00 O ATOM 567 CB ALA A 38 -32.705 20.030 1.956 1.00 0.00 C ATOM 568 H ALA A 38 -32.633 21.884 3.684 1.00 0.00 H ATOM 569 HA ALA A 38 -31.341 19.306 3.558 1.00 0.00 H ATOM 570 HB1 ALA A 38 -33.026 21.011 1.628 1.00 0.00 H ATOM 571 HB2 ALA A 38 -32.423 19.435 1.103 1.00 0.00 H ATOM 572 HB3 ALA A 38 -33.537 19.566 2.467 1.00 0.00 H ATOM 573 N ALA A 39 -30.256 21.279 1.224 1.00 0.00 N ATOM 574 CA ALA A 39 -29.008 21.688 0.498 1.00 0.00 C ATOM 575 C ALA A 39 -27.794 21.782 1.437 1.00 0.00 C ATOM 576 O ALA A 39 -26.793 21.114 1.263 1.00 0.00 O ATOM 577 CB ALA A 39 -29.256 23.043 -0.157 1.00 0.00 C ATOM 578 H ALA A 39 -31.131 21.585 0.905 1.00 0.00 H ATOM 579 HA ALA A 39 -28.793 20.943 -0.254 1.00 0.00 H ATOM 580 HB1 ALA A 39 -29.764 23.695 0.538 1.00 0.00 H ATOM 581 HB2 ALA A 39 -28.316 23.496 -0.440 1.00 0.00 H ATOM 582 HB3 ALA A 39 -29.866 22.922 -1.037 1.00 0.00 H ATOM 583 N HIS A 40 -27.965 22.633 2.415 1.00 0.00 N ATOM 584 CA HIS A 40 -26.901 22.871 3.433 1.00 0.00 C ATOM 585 C HIS A 40 -26.283 21.593 3.929 1.00 0.00 C ATOM 586 O HIS A 40 -25.081 21.424 3.881 1.00 0.00 O ATOM 587 CB HIS A 40 -27.450 23.580 4.666 1.00 0.00 C ATOM 588 CG HIS A 40 -26.287 24.059 5.583 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.219 23.343 5.819 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.191 25.254 6.268 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.542 24.121 6.616 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.063 25.279 6.926 1.00 0.00 N ATOM 593 H HIS A 40 -28.819 23.116 2.488 1.00 0.00 H ATOM 594 HA HIS A 40 -26.124 23.472 2.987 1.00 0.00 H ATOM 595 HB2 HIS A 40 -28.094 24.388 4.366 1.00 0.00 H ATOM 596 HB3 HIS A 40 -28.063 22.895 5.239 1.00 0.00 H ATOM 597 HD1 HIS A 40 -24.950 22.439 5.510 1.00 0.00 H ATOM 598 HD2 HIS A 40 -26.933 26.041 6.277 1.00 0.00 H ATOM 599 HE1 HIS A 40 -23.584 23.804 7.001 1.00 0.00 H ATOM 600 N CYS A 41 -27.140 20.728 4.392 1.00 0.00 N ATOM 601 CA CYS A 41 -26.657 19.437 4.929 1.00 0.00 C ATOM 602 C CYS A 41 -26.102 18.543 3.838 1.00 0.00 C ATOM 603 O CYS A 41 -25.172 17.793 4.070 1.00 0.00 O ATOM 604 CB CYS A 41 -27.845 18.810 5.644 1.00 0.00 C ATOM 605 SG CYS A 41 -28.426 19.629 7.151 1.00 0.00 S ATOM 606 H CYS A 41 -28.117 20.901 4.384 1.00 0.00 H ATOM 607 HA CYS A 41 -25.866 19.630 5.643 1.00 0.00 H ATOM 608 HB2 CYS A 41 -28.674 18.809 4.949 1.00 0.00 H ATOM 609 HB3 CYS A 41 -27.644 17.782 5.891 1.00 0.00 H ATOM 610 N ILE A 42 -26.651 18.616 2.654 1.00 0.00 N ATOM 611 CA ILE A 42 -26.085 17.717 1.599 1.00 0.00 C ATOM 612 C ILE A 42 -24.640 18.130 1.262 1.00 0.00 C ATOM 613 O ILE A 42 -23.780 17.284 1.090 1.00 0.00 O ATOM 614 CB ILE A 42 -27.032 17.773 0.338 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.100 16.328 -0.240 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.525 18.754 -0.740 1.00 0.00 C ATOM 617 CD1 ILE A 42 -27.860 16.262 -1.584 1.00 0.00 C ATOM 618 H ILE A 42 -27.398 19.244 2.490 1.00 0.00 H ATOM 619 HA ILE A 42 -26.041 16.716 2.001 1.00 0.00 H ATOM 620 HB ILE A 42 -28.026 18.073 0.646 1.00 0.00 H ATOM 621 HG12 ILE A 42 -26.102 15.926 -0.361 1.00 0.00 H ATOM 622 HG13 ILE A 42 -27.618 15.706 0.475 1.00 0.00 H ATOM 623 HG21 ILE A 42 -26.188 19.668 -0.288 1.00 0.00 H ATOM 624 HG22 ILE A 42 -25.699 18.316 -1.275 1.00 0.00 H ATOM 625 HG23 ILE A 42 -27.318 18.993 -1.426 1.00 0.00 H ATOM 626 HD11 ILE A 42 -28.862 16.649 -1.474 1.00 0.00 H ATOM 627 HD12 ILE A 42 -27.345 16.820 -2.351 1.00 0.00 H ATOM 628 HD13 ILE A 42 -27.927 15.231 -1.897 1.00 0.00 H ATOM 629 N ILE A 43 -24.397 19.414 1.190 1.00 0.00 N ATOM 630 CA ILE A 43 -23.018 19.885 0.868 1.00 0.00 C ATOM 631 C ILE A 43 -22.026 19.316 1.896 1.00 0.00 C ATOM 632 O ILE A 43 -20.829 19.323 1.678 1.00 0.00 O ATOM 633 CB ILE A 43 -22.975 21.440 0.899 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.124 22.062 0.049 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.643 21.925 0.292 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.598 23.375 0.708 1.00 0.00 C ATOM 637 H ILE A 43 -25.113 20.073 1.347 1.00 0.00 H ATOM 638 HA ILE A 43 -22.743 19.514 -0.109 1.00 0.00 H ATOM 639 HB ILE A 43 -23.041 21.761 1.929 1.00 0.00 H ATOM 640 HG12 ILE A 43 -23.784 22.277 -0.954 1.00 0.00 H ATOM 641 HG13 ILE A 43 -24.960 21.390 -0.043 1.00 0.00 H ATOM 642 HG21 ILE A 43 -20.804 21.464 0.789 1.00 0.00 H ATOM 643 HG22 ILE A 43 -21.598 21.670 -0.757 1.00 0.00 H ATOM 644 HG23 ILE A 43 -21.565 22.997 0.393 1.00 0.00 H ATOM 645 HD11 ILE A 43 -24.339 23.407 1.756 1.00 0.00 H ATOM 646 HD12 ILE A 43 -24.132 24.218 0.217 1.00 0.00 H ATOM 647 HD13 ILE A 43 -25.670 23.466 0.614 1.00 0.00 H ATOM 648 N GLN A 44 -22.517 18.822 3.000 1.00 0.00 N ATOM 649 CA GLN A 44 -21.548 18.272 4.000 1.00 0.00 C ATOM 650 C GLN A 44 -21.072 16.920 3.451 1.00 0.00 C ATOM 651 O GLN A 44 -19.913 16.775 3.101 1.00 0.00 O ATOM 652 CB GLN A 44 -22.286 18.143 5.358 1.00 0.00 C ATOM 653 CG GLN A 44 -22.096 19.441 6.188 1.00 0.00 C ATOM 654 CD GLN A 44 -22.845 20.631 5.571 1.00 0.00 C ATOM 655 OE1 GLN A 44 -23.770 21.169 6.141 1.00 0.00 O ATOM 656 NE2 GLN A 44 -22.508 21.102 4.410 1.00 0.00 N ATOM 657 H GLN A 44 -23.494 18.819 3.143 1.00 0.00 H ATOM 658 HA GLN A 44 -20.692 18.929 4.067 1.00 0.00 H ATOM 659 HB2 GLN A 44 -23.340 17.979 5.223 1.00 0.00 H ATOM 660 HB3 GLN A 44 -21.893 17.308 5.919 1.00 0.00 H ATOM 661 HG2 GLN A 44 -22.500 19.261 7.171 1.00 0.00 H ATOM 662 HG3 GLN A 44 -21.053 19.699 6.289 1.00 0.00 H ATOM 663 HE21 GLN A 44 -21.758 20.725 3.909 1.00 0.00 H ATOM 664 HE22 GLN A 44 -23.035 21.848 4.053 1.00 0.00 H ATOM 665 N LYS A 45 -21.976 15.977 3.390 1.00 0.00 N ATOM 666 CA LYS A 45 -21.656 14.606 2.864 1.00 0.00 C ATOM 667 C LYS A 45 -20.780 14.719 1.601 1.00 0.00 C ATOM 668 O LYS A 45 -19.911 13.909 1.343 1.00 0.00 O ATOM 669 CB LYS A 45 -22.995 13.902 2.556 1.00 0.00 C ATOM 670 CG LYS A 45 -22.770 12.634 1.691 1.00 0.00 C ATOM 671 CD LYS A 45 -24.019 11.725 1.725 1.00 0.00 C ATOM 672 CE LYS A 45 -24.866 11.917 0.463 1.00 0.00 C ATOM 673 NZ LYS A 45 -26.035 10.991 0.501 1.00 0.00 N ATOM 674 H LYS A 45 -22.886 16.180 3.695 1.00 0.00 H ATOM 675 HA LYS A 45 -21.111 14.040 3.604 1.00 0.00 H ATOM 676 HB2 LYS A 45 -23.457 13.624 3.489 1.00 0.00 H ATOM 677 HB3 LYS A 45 -23.651 14.598 2.053 1.00 0.00 H ATOM 678 HG2 LYS A 45 -22.542 12.919 0.674 1.00 0.00 H ATOM 679 HG3 LYS A 45 -21.931 12.079 2.084 1.00 0.00 H ATOM 680 HD2 LYS A 45 -23.696 10.699 1.775 1.00 0.00 H ATOM 681 HD3 LYS A 45 -24.626 11.931 2.592 1.00 0.00 H ATOM 682 HE2 LYS A 45 -25.230 12.933 0.406 1.00 0.00 H ATOM 683 HE3 LYS A 45 -24.285 11.702 -0.423 1.00 0.00 H ATOM 684 HZ1 LYS A 45 -26.031 10.420 1.374 1.00 0.00 H ATOM 685 HZ2 LYS A 45 -26.916 11.541 0.458 1.00 0.00 H ATOM 686 HZ3 LYS A 45 -25.989 10.336 -0.307 1.00 0.00 H ATOM 687 N ASN A 46 -21.061 15.761 0.859 1.00 0.00 N ATOM 688 CA ASN A 46 -20.320 16.037 -0.414 1.00 0.00 C ATOM 689 C ASN A 46 -18.963 16.715 -0.216 1.00 0.00 C ATOM 690 O ASN A 46 -18.035 16.420 -0.941 1.00 0.00 O ATOM 691 CB ASN A 46 -21.186 16.934 -1.321 1.00 0.00 C ATOM 692 CG ASN A 46 -22.584 16.328 -1.501 1.00 0.00 C ATOM 693 OD1 ASN A 46 -22.778 15.133 -1.433 1.00 0.00 O ATOM 694 ND2 ASN A 46 -23.602 17.104 -1.732 1.00 0.00 N ATOM 695 H ASN A 46 -21.784 16.352 1.166 1.00 0.00 H ATOM 696 HA ASN A 46 -20.148 15.091 -0.909 1.00 0.00 H ATOM 697 HB2 ASN A 46 -21.282 17.915 -0.881 1.00 0.00 H ATOM 698 HB3 ASN A 46 -20.721 17.026 -2.293 1.00 0.00 H ATOM 699 HD21 ASN A 46 -23.498 18.074 -1.813 1.00 0.00 H ATOM 700 HD22 ASN A 46 -24.482 16.682 -1.820 1.00 0.00 H ATOM 701 N ASN A 47 -18.851 17.605 0.733 1.00 0.00 N ATOM 702 CA ASN A 47 -17.521 18.267 0.932 1.00 0.00 C ATOM 703 C ASN A 47 -16.548 17.173 1.372 1.00 0.00 C ATOM 704 O ASN A 47 -15.421 17.072 0.931 1.00 0.00 O ATOM 705 CB ASN A 47 -17.630 19.342 2.031 1.00 0.00 C ATOM 706 CG ASN A 47 -18.119 20.659 1.434 1.00 0.00 C ATOM 707 OD1 ASN A 47 -17.963 20.936 0.264 1.00 0.00 O ATOM 708 ND2 ASN A 47 -18.723 21.529 2.186 1.00 0.00 N ATOM 709 H ASN A 47 -19.621 17.832 1.303 1.00 0.00 H ATOM 710 HA ASN A 47 -17.181 18.677 -0.008 1.00 0.00 H ATOM 711 HB2 ASN A 47 -18.326 19.026 2.792 1.00 0.00 H ATOM 712 HB3 ASN A 47 -16.662 19.507 2.484 1.00 0.00 H ATOM 713 HD21 ASN A 47 -18.882 21.357 3.135 1.00 0.00 H ATOM 714 HD22 ASN A 47 -19.016 22.365 1.773 1.00 0.00 H ATOM 715 N CYS A 48 -17.071 16.377 2.258 1.00 0.00 N ATOM 716 CA CYS A 48 -16.335 15.219 2.861 1.00 0.00 C ATOM 717 C CYS A 48 -15.671 14.377 1.754 1.00 0.00 C ATOM 718 O CYS A 48 -14.509 14.017 1.809 1.00 0.00 O ATOM 719 CB CYS A 48 -17.362 14.415 3.643 1.00 0.00 C ATOM 720 SG CYS A 48 -16.914 13.751 5.266 1.00 0.00 S ATOM 721 H CYS A 48 -17.997 16.554 2.536 1.00 0.00 H ATOM 722 HA CYS A 48 -15.565 15.588 3.523 1.00 0.00 H ATOM 723 HB2 CYS A 48 -18.227 15.021 3.826 1.00 0.00 H ATOM 724 HB3 CYS A 48 -17.700 13.588 3.039 1.00 0.00 H ATOM 725 N LYS A 49 -16.461 14.088 0.752 1.00 0.00 N ATOM 726 CA LYS A 49 -15.978 13.277 -0.411 1.00 0.00 C ATOM 727 C LYS A 49 -14.740 13.892 -1.082 1.00 0.00 C ATOM 728 O LYS A 49 -14.088 13.234 -1.865 1.00 0.00 O ATOM 729 CB LYS A 49 -17.123 13.156 -1.439 1.00 0.00 C ATOM 730 CG LYS A 49 -18.104 12.058 -0.985 1.00 0.00 C ATOM 731 CD LYS A 49 -19.200 11.874 -2.050 1.00 0.00 C ATOM 732 CE LYS A 49 -20.116 10.700 -1.653 1.00 0.00 C ATOM 733 NZ LYS A 49 -21.317 10.683 -2.538 1.00 0.00 N ATOM 734 H LYS A 49 -17.388 14.411 0.767 1.00 0.00 H ATOM 735 HA LYS A 49 -15.700 12.299 -0.052 1.00 0.00 H ATOM 736 HB2 LYS A 49 -17.647 14.096 -1.523 1.00 0.00 H ATOM 737 HB3 LYS A 49 -16.721 12.900 -2.409 1.00 0.00 H ATOM 738 HG2 LYS A 49 -17.574 11.127 -0.844 1.00 0.00 H ATOM 739 HG3 LYS A 49 -18.557 12.348 -0.050 1.00 0.00 H ATOM 740 HD2 LYS A 49 -19.785 12.779 -2.130 1.00 0.00 H ATOM 741 HD3 LYS A 49 -18.749 11.667 -3.010 1.00 0.00 H ATOM 742 HE2 LYS A 49 -19.592 9.761 -1.761 1.00 0.00 H ATOM 743 HE3 LYS A 49 -20.446 10.806 -0.629 1.00 0.00 H ATOM 744 HZ1 LYS A 49 -21.248 11.472 -3.212 1.00 0.00 H ATOM 745 HZ2 LYS A 49 -21.377 9.785 -3.061 1.00 0.00 H ATOM 746 HZ3 LYS A 49 -22.170 10.818 -1.956 1.00 0.00 H ATOM 747 N GLY A 50 -14.440 15.125 -0.764 1.00 0.00 N ATOM 748 CA GLY A 50 -13.251 15.808 -1.367 1.00 0.00 C ATOM 749 C GLY A 50 -12.107 15.888 -0.360 1.00 0.00 C ATOM 750 O GLY A 50 -11.018 16.311 -0.694 1.00 0.00 O ATOM 751 H GLY A 50 -15.002 15.613 -0.123 1.00 0.00 H ATOM 752 HA2 GLY A 50 -12.911 15.260 -2.235 1.00 0.00 H ATOM 753 HA3 GLY A 50 -13.527 16.810 -1.654 1.00 0.00 H ATOM 754 N LYS A 51 -12.385 15.472 0.845 1.00 0.00 N ATOM 755 CA LYS A 51 -11.354 15.494 1.923 1.00 0.00 C ATOM 756 C LYS A 51 -10.857 14.057 2.123 1.00 0.00 C ATOM 757 O LYS A 51 -9.702 13.849 2.444 1.00 0.00 O ATOM 758 CB LYS A 51 -12.024 16.117 3.208 1.00 0.00 C ATOM 759 CG LYS A 51 -12.542 15.103 4.262 1.00 0.00 C ATOM 760 CD LYS A 51 -13.153 15.908 5.441 1.00 0.00 C ATOM 761 CE LYS A 51 -13.346 15.005 6.676 1.00 0.00 C ATOM 762 NZ LYS A 51 -13.636 15.841 7.882 1.00 0.00 N ATOM 763 H LYS A 51 -13.287 15.142 1.042 1.00 0.00 H ATOM 764 HA LYS A 51 -10.521 16.105 1.621 1.00 0.00 H ATOM 765 HB2 LYS A 51 -11.294 16.757 3.681 1.00 0.00 H ATOM 766 HB3 LYS A 51 -12.849 16.743 2.899 1.00 0.00 H ATOM 767 HG2 LYS A 51 -13.299 14.471 3.828 1.00 0.00 H ATOM 768 HG3 LYS A 51 -11.732 14.485 4.622 1.00 0.00 H ATOM 769 HD2 LYS A 51 -12.495 16.724 5.704 1.00 0.00 H ATOM 770 HD3 LYS A 51 -14.106 16.321 5.146 1.00 0.00 H ATOM 771 HE2 LYS A 51 -14.173 14.329 6.517 1.00 0.00 H ATOM 772 HE3 LYS A 51 -12.455 14.426 6.867 1.00 0.00 H ATOM 773 HZ1 LYS A 51 -13.657 16.849 7.622 1.00 0.00 H ATOM 774 HZ2 LYS A 51 -14.558 15.566 8.276 1.00 0.00 H ATOM 775 HZ3 LYS A 51 -12.892 15.679 8.591 1.00 0.00 H ATOM 776 N CYS A 52 -11.738 13.108 1.929 1.00 0.00 N ATOM 777 CA CYS A 52 -11.346 11.672 2.091 1.00 0.00 C ATOM 778 C CYS A 52 -11.082 10.973 0.748 1.00 0.00 C ATOM 779 O CYS A 52 -10.153 10.197 0.628 1.00 0.00 O ATOM 780 CB CYS A 52 -12.466 10.979 2.838 1.00 0.00 C ATOM 781 SG CYS A 52 -13.125 11.898 4.251 1.00 0.00 S ATOM 782 H CYS A 52 -12.663 13.342 1.694 1.00 0.00 H ATOM 783 HA CYS A 52 -10.442 11.616 2.683 1.00 0.00 H ATOM 784 HB2 CYS A 52 -13.280 10.766 2.160 1.00 0.00 H ATOM 785 HB3 CYS A 52 -12.086 10.039 3.211 1.00 0.00 H ATOM 786 N LYS A 53 -11.893 11.272 -0.235 1.00 0.00 N ATOM 787 CA LYS A 53 -11.708 10.627 -1.574 1.00 0.00 C ATOM 788 C LYS A 53 -11.022 11.593 -2.541 1.00 0.00 C ATOM 789 O LYS A 53 -10.923 12.779 -2.297 1.00 0.00 O ATOM 790 CB LYS A 53 -13.085 10.212 -2.188 1.00 0.00 C ATOM 791 CG LYS A 53 -14.061 9.632 -1.134 1.00 0.00 C ATOM 792 CD LYS A 53 -15.125 8.757 -1.856 1.00 0.00 C ATOM 793 CE LYS A 53 -16.095 8.128 -0.831 1.00 0.00 C ATOM 794 NZ LYS A 53 -17.057 7.208 -1.513 1.00 0.00 N ATOM 795 H LYS A 53 -12.616 11.919 -0.104 1.00 0.00 H ATOM 796 HA LYS A 53 -11.084 9.755 -1.462 1.00 0.00 H ATOM 797 HB2 LYS A 53 -13.546 11.058 -2.672 1.00 0.00 H ATOM 798 HB3 LYS A 53 -12.905 9.460 -2.941 1.00 0.00 H ATOM 799 HG2 LYS A 53 -13.515 9.040 -0.417 1.00 0.00 H ATOM 800 HG3 LYS A 53 -14.548 10.440 -0.609 1.00 0.00 H ATOM 801 HD2 LYS A 53 -15.685 9.365 -2.551 1.00 0.00 H ATOM 802 HD3 LYS A 53 -14.638 7.968 -2.410 1.00 0.00 H ATOM 803 HE2 LYS A 53 -15.546 7.559 -0.095 1.00 0.00 H ATOM 804 HE3 LYS A 53 -16.659 8.899 -0.328 1.00 0.00 H ATOM 805 HZ1 LYS A 53 -16.860 7.184 -2.534 1.00 0.00 H ATOM 806 HZ2 LYS A 53 -16.948 6.253 -1.110 1.00 0.00 H ATOM 807 HZ3 LYS A 53 -18.028 7.549 -1.343 1.00 0.00 H ATOM 808 N LYS A 54 -10.562 11.035 -3.630 1.00 0.00 N ATOM 809 CA LYS A 54 -9.862 11.842 -4.686 1.00 0.00 C ATOM 810 C LYS A 54 -10.732 11.934 -5.952 1.00 0.00 C ATOM 811 O LYS A 54 -10.378 12.585 -6.915 1.00 0.00 O ATOM 812 CB LYS A 54 -8.513 11.167 -5.036 1.00 0.00 C ATOM 813 CG LYS A 54 -7.764 10.718 -3.752 1.00 0.00 C ATOM 814 CD LYS A 54 -8.056 9.223 -3.444 1.00 0.00 C ATOM 815 CE LYS A 54 -6.782 8.365 -3.638 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.787 7.707 -4.980 1.00 0.00 N ATOM 817 H LYS A 54 -10.671 10.069 -3.751 1.00 0.00 H ATOM 818 HA LYS A 54 -9.688 12.845 -4.318 1.00 0.00 H ATOM 819 HB2 LYS A 54 -8.685 10.319 -5.685 1.00 0.00 H ATOM 820 HB3 LYS A 54 -7.893 11.874 -5.569 1.00 0.00 H ATOM 821 HG2 LYS A 54 -6.706 10.873 -3.891 1.00 0.00 H ATOM 822 HG3 LYS A 54 -8.075 11.320 -2.910 1.00 0.00 H ATOM 823 HD2 LYS A 54 -8.378 9.135 -2.416 1.00 0.00 H ATOM 824 HD3 LYS A 54 -8.851 8.845 -4.072 1.00 0.00 H ATOM 825 HE2 LYS A 54 -5.884 8.959 -3.549 1.00 0.00 H ATOM 826 HE3 LYS A 54 -6.755 7.604 -2.876 1.00 0.00 H ATOM 827 HZ1 LYS A 54 -7.643 8.000 -5.498 1.00 0.00 H ATOM 828 HZ2 LYS A 54 -5.945 7.998 -5.521 1.00 0.00 H ATOM 829 HZ3 LYS A 54 -6.796 6.673 -4.868 1.00 0.00 H ATOM 830 N GLU A 55 -11.860 11.273 -5.917 1.00 0.00 N ATOM 831 CA GLU A 55 -12.805 11.271 -7.081 1.00 0.00 C ATOM 832 C GLU A 55 -14.248 11.526 -6.610 1.00 0.00 C ATOM 833 O GLU A 55 -15.001 12.066 -7.405 1.00 0.00 O ATOM 834 CB GLU A 55 -12.713 9.895 -7.823 1.00 0.00 C ATOM 835 CG GLU A 55 -12.822 8.670 -6.870 1.00 0.00 C ATOM 836 CD GLU A 55 -11.501 8.464 -6.097 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.533 8.078 -6.733 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.527 8.714 -4.900 1.00 0.00 O ATOM 839 OXT GLU A 55 -14.513 11.161 -5.475 1.00 0.00 O ATOM 840 H GLU A 55 -12.094 10.779 -5.104 1.00 0.00 H ATOM 841 HA GLU A 55 -12.527 12.067 -7.759 1.00 0.00 H ATOM 842 HB2 GLU A 55 -13.513 9.837 -8.547 1.00 0.00 H ATOM 843 HB3 GLU A 55 -11.779 9.847 -8.363 1.00 0.00 H ATOM 844 HG2 GLU A 55 -13.631 8.806 -6.168 1.00 0.00 H ATOM 845 HG3 GLU A 55 -13.021 7.780 -7.452 1.00 0.00 H TER 846 GLU A 55