HEADER MEMBRANE PROTEIN 25-SEP-08 SMS20047 TITLE INTERACTION OF THE DENGUE VIRUS FUSION PEPTIDE WITH MEMBRANES BY NMR: TITLE 2 THE ESSENTIAL ROLE OF W101 OF E PROTEIN FOR MEMBRANE FUSION COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 98-112; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: FUSION PEPTIDE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: DENGUE VIRUS 2; SOURCE 4 ORGANISM_TAXID: 11060; SOURCE 5 OTHER_DETAILS: THE PEPTIDES WERE PURCHASED FROM GENEMED SYNTHESIS KEYWDS FUSION PEPTIDE, DPC, DENGUE, MEMBRANE PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR M.N.MELO,F.J.R.SOUSA,F.A.CARNEIRO,M.A.R.B.CASTANHO,A.P.VALENTE, AUTHOR 2 F.C.L.ALMEIDA,A.T.DA POIAN,R.MOHANA-BORGES JRNL AUTH M.N.MELO,F.J.R.SOUSA,F.A.CARNEIRO,M.A.R.B.CASTANHO, JRNL AUTH 2 A.P.VALENTE,F.C.L.ALMEIDA,A.T.DA POIAN,R.MOHANA-BORGES JRNL TITL INTERACTION OF THE DENGUE VIRUS FUSION PEPTIDE WITH JRNL TITL 2 MEMBRANES ASSESSED BY NMR: THE ESSENTIAL ROLE OF THE JRNL TITL 3 ENVELOPE PROTEIN TRP101 FOR MEMBRANE FUSION JRNL REF J.MOL.BIOL. V. 392 736 2009 JRNL REFN ISSN 0022-2836 JRNL PMID 19619560 JRNL DOI 10.1016/J.JMB.2009.07.035 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNSSOLVE 1.0 REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20047. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2MM FUSIONPEPTIDE; 100MM [U-99% REMARK 210 2H] DPC; 10MM [U-99% 2H] DTT; REMARK 210 100MM SODIUM PHOSPHATE; 0.01% REMARK 210 SODIUM AZIDE; 10% [U-99% 2H] D2O; REMARK 210 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, NMRDRAW, NMRVIEW, REMARK 210 CNSSOLVE 1.0, PROCHECKNMR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 1 ARG A 99 -89.90 -80.45 REMARK 500 1 TRP A 101 -98.23 -67.89 REMARK 500 1 LEU A 107 151.62 176.30 REMARK 500 1 PHE A 108 42.48 73.35 REMARK 500 2 ARG A 99 -89.21 -92.76 REMARK 500 2 TRP A 101 -97.54 -66.15 REMARK 500 2 LEU A 107 150.17 175.76 REMARK 500 2 PHE A 108 50.67 73.24 REMARK 500 3 ARG A 99 -88.54 -93.60 REMARK 500 3 TRP A 101 -96.59 -61.57 REMARK 500 3 LEU A 107 151.32 175.81 REMARK 500 3 PHE A 108 43.96 72.92 REMARK 500 4 ARG A 99 -88.75 -101.29 REMARK 500 4 TRP A 101 -97.72 -64.17 REMARK 500 4 LEU A 107 152.69 176.51 REMARK 500 4 PHE A 108 39.71 73.00 REMARK 500 5 ARG A 99 -87.79 -160.49 REMARK 500 5 TRP A 101 -98.79 -66.79 REMARK 500 5 LEU A 107 151.31 176.20 REMARK 500 5 PHE A 108 45.34 73.25 REMARK 500 6 ARG A 99 -88.56 -103.40 REMARK 500 6 TRP A 101 -97.79 -64.71 REMARK 500 6 LEU A 107 150.74 175.57 REMARK 500 6 PHE A 108 46.95 73.30 REMARK 500 7 ARG A 99 -88.39 -110.24 REMARK 500 7 TRP A 101 -98.44 -66.56 REMARK 500 7 LEU A 107 153.49 176.33 REMARK 500 7 PHE A 108 36.12 72.73 REMARK 500 8 ARG A 99 -88.89 -66.79 REMARK 500 8 TRP A 101 -99.37 -68.54 REMARK 500 8 LEU A 107 150.92 176.20 REMARK 500 8 PHE A 108 45.97 73.50 REMARK 500 9 ARG A 99 -89.13 -82.97 REMARK 500 9 TRP A 101 -97.75 -65.42 REMARK 500 9 LEU A 107 150.47 175.80 REMARK 500 9 PHE A 108 48.90 73.31 REMARK 500 10 ARG A 99 -88.06 -150.53 REMARK 500 10 TRP A 101 -98.53 -65.60 REMARK 500 10 LEU A 107 153.75 176.46 REMARK 500 10 PHE A 108 37.26 72.59 REMARK 500 11 ARG A 99 -88.34 -136.83 REMARK 500 11 TRP A 101 -97.54 -64.31 REMARK 500 11 LEU A 107 150.91 175.94 REMARK 500 11 PHE A 108 45.90 73.29 REMARK 500 12 ARG A 99 -88.82 -59.67 REMARK 500 12 TRP A 101 -98.77 -66.98 REMARK 500 12 LEU A 107 151.93 176.61 REMARK 500 12 PHE A 108 41.89 73.42 REMARK 500 13 ARG A 99 -89.22 -100.23 REMARK 500 13 TRP A 101 -99.09 -69.39 REMARK 500 REMARK 500 THIS ENTRY HAS 80 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20047 RELATED DB: BMRB DBREF A 98 112 UNP Q9QCX0 Q9QCX0_9FLAV 98 112 SEQRES 1 A 15 ASP ARG GLY TRP GLY ASN GLY CYS GLY LEU PHE GLY LYS SEQRES 2 A 15 GLY GLY 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 ASP A 98 11.708 -4.445 -2.225 1.00 3.32 N ATOM 2 CA ASP A 98 10.752 -4.649 -1.105 1.00 2.31 C ATOM 3 C ASP A 98 10.957 -3.606 -0.009 1.00 2.05 C ATOM 4 O ASP A 98 10.001 -2.989 0.460 1.00 2.68 O ATOM 5 CB ASP A 98 10.956 -6.055 -0.539 1.00 2.50 C ATOM 6 CG ASP A 98 10.718 -7.135 -1.577 1.00 3.15 C ATOM 7 OD1 ASP A 98 9.592 -7.207 -2.112 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.658 -7.909 -1.854 1.00 3.81 O ATOM 9 H1 ASP A 98 11.701 -3.435 -2.469 1.00 3.66 H ATOM 10 H2 ASP A 98 11.386 -5.028 -3.025 1.00 3.69 H ATOM 11 H3 ASP A 98 12.649 -4.744 -1.897 1.00 3.70 H ATOM 12 HA ASP A 98 9.747 -4.561 -1.490 1.00 2.14 H ATOM 13 HB2 ASP A 98 11.968 -6.147 -0.176 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.268 -6.210 0.279 1.00 2.83 H ATOM 15 N ARG A 99 12.210 -3.416 0.392 1.00 1.42 N ATOM 16 CA ARG A 99 12.540 -2.450 1.433 1.00 1.29 C ATOM 17 C ARG A 99 12.596 -1.034 0.865 1.00 0.77 C ATOM 18 O ARG A 99 11.590 -0.323 0.848 1.00 0.82 O ATOM 19 CB ARG A 99 13.870 -2.823 2.100 1.00 1.56 C ATOM 20 CG ARG A 99 14.346 -1.830 3.153 1.00 1.98 C ATOM 21 CD ARG A 99 13.366 -1.711 4.312 1.00 2.97 C ATOM 22 NE ARG A 99 12.101 -1.099 3.913 1.00 2.80 N ATOM 23 CZ ARG A 99 11.982 0.163 3.505 1.00 3.29 C ATOM 24 NH1 ARG A 99 13.039 0.965 3.482 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.799 0.628 3.128 1.00 3.12 N ATOM 26 H ARG A 99 12.928 -3.939 -0.019 1.00 1.41 H ATOM 27 HA ARG A 99 11.761 -2.488 2.170 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.757 -3.785 2.576 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.631 -2.901 1.338 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.299 -2.159 3.537 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.461 -0.860 2.690 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.167 -2.701 4.699 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.819 -1.106 5.087 1.00 3.45 H ATOM 34 HE ARG A 99 11.298 -1.661 3.939 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.932 0.626 3.776 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.943 1.911 3.173 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.996 0.031 3.152 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.709 1.576 2.820 1.00 3.62 H ATOM 39 N GLY A 100 13.771 -0.628 0.408 1.00 0.77 N ATOM 40 CA GLY A 100 13.934 0.705 -0.146 1.00 1.22 C ATOM 41 C GLY A 100 14.966 1.512 0.614 1.00 1.13 C ATOM 42 O GLY A 100 14.648 2.538 1.214 1.00 1.40 O ATOM 43 H GLY A 100 14.535 -1.237 0.453 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.244 0.619 -1.177 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.986 1.220 -0.105 1.00 1.68 H ATOM 46 N TRP A 101 16.202 1.032 0.598 1.00 0.82 N ATOM 47 CA TRP A 101 17.295 1.691 1.298 1.00 0.75 C ATOM 48 C TRP A 101 17.644 3.035 0.662 1.00 0.98 C ATOM 49 O TRP A 101 17.008 4.048 0.956 1.00 1.30 O ATOM 50 CB TRP A 101 18.510 0.767 1.326 1.00 0.53 C ATOM 51 CG TRP A 101 18.195 -0.566 1.892 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.827 -0.863 3.161 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.189 -1.781 1.172 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.605 -2.215 3.280 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.823 -2.800 2.059 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.468 -2.094 -0.146 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.726 -4.126 1.658 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.377 -3.405 -0.553 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.006 -4.412 0.346 1.00 1.53 C ATOM 60 H TRP A 101 16.383 0.202 0.110 1.00 0.74 H ATOM 61 HA TRP A 101 16.981 1.870 2.313 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.868 0.612 0.321 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.290 1.213 1.923 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.740 -0.136 3.944 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.336 -2.680 4.098 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.755 -1.322 -0.841 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.437 -4.907 2.342 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.591 -3.665 -1.578 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.951 -5.428 -0.014 1.00 1.82 H ATOM 70 N GLY A 102 18.676 3.055 -0.177 1.00 1.01 N ATOM 71 CA GLY A 102 19.102 4.296 -0.792 1.00 1.40 C ATOM 72 C GLY A 102 20.064 5.024 0.119 1.00 1.46 C ATOM 73 O GLY A 102 21.031 5.640 -0.328 1.00 1.92 O ATOM 74 H GLY A 102 19.169 2.229 -0.354 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.593 4.078 -1.731 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.242 4.921 -0.972 1.00 1.61 H ATOM 77 N ASN A 103 19.796 4.911 1.417 1.00 1.23 N ATOM 78 CA ASN A 103 20.624 5.511 2.447 1.00 1.39 C ATOM 79 C ASN A 103 21.980 4.814 2.550 1.00 1.23 C ATOM 80 O ASN A 103 22.844 5.233 3.320 1.00 1.44 O ATOM 81 CB ASN A 103 19.900 5.434 3.797 1.00 1.49 C ATOM 82 CG ASN A 103 19.474 4.018 4.210 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.912 3.838 5.290 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.723 3.002 3.372 1.00 0.95 N ATOM 85 H ASN A 103 19.019 4.390 1.692 1.00 1.19 H ATOM 86 HA ASN A 103 20.780 6.548 2.192 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.554 5.821 4.563 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.015 6.052 3.750 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.166 3.185 2.526 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.438 2.101 3.641 1.00 0.89 H ATOM 91 N GLY A 104 22.159 3.741 1.781 1.00 0.91 N ATOM 92 CA GLY A 104 23.401 3.005 1.816 1.00 0.80 C ATOM 93 C GLY A 104 23.709 2.473 3.200 1.00 0.86 C ATOM 94 O GLY A 104 24.853 2.512 3.651 1.00 1.08 O ATOM 95 H GLY A 104 21.438 3.442 1.193 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.324 2.172 1.133 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.203 3.651 1.501 1.00 1.02 H ATOM 98 N CYS A 105 22.679 1.973 3.871 1.00 0.85 N ATOM 99 CA CYS A 105 22.825 1.424 5.210 1.00 1.18 C ATOM 100 C CYS A 105 22.630 -0.086 5.185 1.00 1.14 C ATOM 101 O CYS A 105 23.221 -0.813 5.981 1.00 1.47 O ATOM 102 CB CYS A 105 21.817 2.067 6.164 1.00 1.47 C ATOM 103 SG CYS A 105 21.914 1.457 7.864 1.00 2.45 S ATOM 104 H CYS A 105 21.796 1.969 3.450 1.00 0.74 H ATOM 105 HA CYS A 105 23.825 1.642 5.553 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.987 3.134 6.189 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.817 1.876 5.802 1.00 1.91 H ATOM 108 HG CYS A 105 21.206 0.822 7.991 1.00 2.81 H ATOM 109 N GLY A 106 21.800 -0.552 4.255 1.00 0.89 N ATOM 110 CA GLY A 106 21.549 -1.973 4.136 1.00 1.13 C ATOM 111 C GLY A 106 22.018 -2.523 2.805 1.00 1.06 C ATOM 112 O GLY A 106 22.311 -3.713 2.686 1.00 1.42 O ATOM 113 H GLY A 106 21.359 0.075 3.638 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.071 -2.487 4.929 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.490 -2.153 4.235 1.00 1.23 H ATOM 116 N LEU A 107 22.094 -1.649 1.805 1.00 0.76 N ATOM 117 CA LEU A 107 22.535 -2.035 0.471 1.00 0.98 C ATOM 118 C LEU A 107 22.435 -0.852 -0.489 1.00 0.95 C ATOM 119 O LEU A 107 21.608 0.040 -0.302 1.00 0.88 O ATOM 120 CB LEU A 107 21.708 -3.223 -0.038 1.00 1.54 C ATOM 121 CG LEU A 107 21.974 -3.650 -1.482 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.440 -4.003 -1.680 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.088 -4.831 -1.854 1.00 2.51 C ATOM 124 H LEU A 107 21.850 -0.716 1.970 1.00 0.55 H ATOM 125 HA LEU A 107 23.568 -2.331 0.544 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.905 -4.069 0.602 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.667 -2.967 0.051 1.00 2.34 H ATOM 128 HG LEU A 107 21.730 -2.832 -2.142 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.574 -5.068 -1.557 1.00 2.90 H ATOM 130 HD12 LEU A 107 24.040 -3.479 -0.951 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.749 -3.714 -2.674 1.00 2.56 H ATOM 132 HD21 LEU A 107 21.641 -5.512 -2.484 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.218 -4.475 -2.386 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.777 -5.345 -0.956 1.00 3.04 H ATOM 135 N PHE A 108 23.293 -0.847 -1.507 1.00 1.24 N ATOM 136 CA PHE A 108 23.322 0.229 -2.500 1.00 1.54 C ATOM 137 C PHE A 108 23.929 1.499 -1.914 1.00 1.42 C ATOM 138 O PHE A 108 23.431 2.602 -2.146 1.00 1.71 O ATOM 139 CB PHE A 108 21.916 0.523 -3.025 1.00 1.83 C ATOM 140 CG PHE A 108 21.235 -0.672 -3.585 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.790 -1.367 -4.644 1.00 2.59 C ATOM 142 CD2 PHE A 108 20.037 -1.097 -3.053 1.00 2.54 C ATOM 143 CE1 PHE A 108 21.155 -2.471 -5.161 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.396 -2.199 -3.565 1.00 2.91 C ATOM 145 CZ PHE A 108 19.958 -2.885 -4.621 1.00 2.92 C ATOM 146 H PHE A 108 23.931 -1.585 -1.593 1.00 1.34 H ATOM 147 HA PHE A 108 23.938 -0.100 -3.322 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.303 0.900 -2.227 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.977 1.259 -3.809 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.729 -1.036 -5.063 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.604 -0.554 -2.225 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.593 -3.009 -5.988 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.457 -2.526 -3.145 1.00 3.46 H ATOM 154 HZ PHE A 108 19.464 -3.740 -5.019 1.00 3.26 H ATOM 155 N GLY A 109 25.011 1.343 -1.156 1.00 1.13 N ATOM 156 CA GLY A 109 25.664 2.493 -0.559 1.00 1.27 C ATOM 157 C GLY A 109 26.501 2.134 0.654 1.00 1.05 C ATOM 158 O GLY A 109 27.520 2.770 0.920 1.00 1.35 O ATOM 159 H GLY A 109 25.369 0.443 -1.006 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.304 2.951 -1.298 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.909 3.206 -0.263 1.00 1.43 H ATOM 162 N LYS A 110 26.072 1.115 1.396 1.00 0.71 N ATOM 163 CA LYS A 110 26.797 0.684 2.588 1.00 0.90 C ATOM 164 C LYS A 110 28.240 0.319 2.253 1.00 1.16 C ATOM 165 O LYS A 110 29.111 0.333 3.123 1.00 1.61 O ATOM 166 CB LYS A 110 26.098 -0.507 3.242 1.00 0.83 C ATOM 167 CG LYS A 110 26.001 -1.728 2.344 1.00 1.34 C ATOM 168 CD LYS A 110 25.332 -2.886 3.063 1.00 1.95 C ATOM 169 CE LYS A 110 25.204 -4.105 2.164 1.00 2.22 C ATOM 170 NZ LYS A 110 26.530 -4.590 1.693 1.00 2.84 N ATOM 171 H LYS A 110 25.252 0.646 1.137 1.00 0.55 H ATOM 172 HA LYS A 110 26.802 1.508 3.282 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.644 -0.784 4.131 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.098 -0.212 3.522 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.421 -1.476 1.469 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.996 -2.025 2.046 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.924 -3.150 3.926 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.348 -2.576 3.382 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.718 -4.895 2.717 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.601 -3.842 1.307 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.023 -3.836 1.174 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.409 -5.407 1.062 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.115 -4.876 2.505 1.00 2.86 H ATOM 184 N GLY A 111 28.486 -0.005 0.989 1.00 1.06 N ATOM 185 CA GLY A 111 29.824 -0.368 0.563 1.00 1.46 C ATOM 186 C GLY A 111 29.991 -0.300 -0.942 1.00 1.16 C ATOM 187 O GLY A 111 30.954 0.283 -1.440 1.00 1.82 O ATOM 188 H GLY A 111 27.752 0.002 0.342 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.532 0.304 1.024 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.034 -1.376 0.892 1.00 2.26 H ATOM 191 N GLY A 112 29.052 -0.898 -1.668 1.00 1.66 N ATOM 192 CA GLY A 112 29.119 -0.891 -3.118 1.00 2.42 C ATOM 193 C GLY A 112 28.194 0.139 -3.735 1.00 3.15 C ATOM 194 O GLY A 112 26.960 -0.038 -3.644 1.00 3.63 O ATOM 195 OXT GLY A 112 28.702 1.125 -4.311 1.00 3.80 O ATOM 196 H GLY A 112 28.307 -1.346 -1.216 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.133 -0.675 -3.419 1.00 2.60 H ATOM 198 HA3 GLY A 112 28.846 -1.869 -3.484 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 2 ATOM 1 N ASP A 98 11.731 -3.693 -3.289 1.00 3.32 N ATOM 2 CA ASP A 98 11.162 -4.539 -2.207 1.00 2.31 C ATOM 3 C ASP A 98 11.274 -3.850 -0.850 1.00 2.05 C ATOM 4 O ASP A 98 10.280 -3.688 -0.143 1.00 2.68 O ATOM 5 CB ASP A 98 11.913 -5.872 -2.184 1.00 2.50 C ATOM 6 CG ASP A 98 11.788 -6.627 -3.493 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.648 -6.954 -3.883 1.00 3.59 O ATOM 8 OD2 ASP A 98 12.831 -6.893 -4.127 1.00 3.81 O ATOM 9 H1 ASP A 98 11.402 -4.077 -4.198 1.00 3.66 H ATOM 10 H2 ASP A 98 12.768 -3.739 -3.214 1.00 3.69 H ATOM 11 H3 ASP A 98 11.387 -2.723 -3.147 1.00 3.70 H ATOM 12 HA ASP A 98 10.120 -4.721 -2.426 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.960 -5.685 -1.997 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.514 -6.489 -1.393 1.00 2.83 H ATOM 15 N ARG A 99 12.489 -3.446 -0.495 1.00 1.42 N ATOM 16 CA ARG A 99 12.729 -2.775 0.777 1.00 1.29 C ATOM 17 C ARG A 99 12.648 -1.259 0.619 1.00 0.77 C ATOM 18 O ARG A 99 11.583 -0.664 0.786 1.00 0.82 O ATOM 19 CB ARG A 99 14.092 -3.191 1.346 1.00 1.56 C ATOM 20 CG ARG A 99 14.473 -2.485 2.644 1.00 1.98 C ATOM 21 CD ARG A 99 13.492 -2.790 3.767 1.00 2.97 C ATOM 22 NE ARG A 99 12.169 -2.219 3.525 1.00 2.80 N ATOM 23 CZ ARG A 99 11.922 -0.911 3.477 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.893 -0.035 3.704 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.697 -0.478 3.213 1.00 3.12 N ATOM 26 H ARG A 99 13.242 -3.603 -1.103 1.00 1.41 H ATOM 27 HA ARG A 99 11.961 -3.085 1.457 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.074 -4.253 1.538 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.854 -2.983 0.611 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.457 -2.812 2.943 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.486 -1.419 2.467 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.395 -3.863 3.860 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.885 -2.382 4.689 1.00 3.45 H ATOM 34 HE ARG A 99 11.428 -2.842 3.376 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.816 -0.354 3.915 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.701 0.946 3.664 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.959 -1.134 3.051 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.510 0.503 3.177 1.00 3.62 H ATOM 39 N GLY A 100 13.777 -0.640 0.303 1.00 0.77 N ATOM 40 CA GLY A 100 13.815 0.802 0.136 1.00 1.22 C ATOM 41 C GLY A 100 14.841 1.448 1.045 1.00 1.13 C ATOM 42 O GLY A 100 14.506 2.291 1.877 1.00 1.40 O ATOM 43 H GLY A 100 14.592 -1.168 0.188 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.060 1.030 -0.891 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.840 1.209 0.365 1.00 1.68 H ATOM 46 N TRP A 101 16.090 1.032 0.890 1.00 0.82 N ATOM 47 CA TRP A 101 17.184 1.547 1.702 1.00 0.75 C ATOM 48 C TRP A 101 17.445 3.026 1.425 1.00 0.98 C ATOM 49 O TRP A 101 16.789 3.894 2.000 1.00 1.30 O ATOM 50 CB TRP A 101 18.437 0.713 1.450 1.00 0.53 C ATOM 51 CG TRP A 101 18.210 -0.736 1.667 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.925 -1.364 2.834 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.216 -1.727 0.661 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.767 -2.713 2.611 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.941 -2.956 1.274 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.435 -1.679 -0.703 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.879 -4.141 0.551 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.377 -2.848 -1.428 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.099 -4.069 -0.802 1.00 1.53 C ATOM 60 H TRP A 101 16.282 0.348 0.215 1.00 0.74 H ATOM 61 HA TRP A 101 16.907 1.441 2.738 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.752 0.836 0.427 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.226 1.035 2.112 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.848 -0.865 3.780 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.562 -3.385 3.295 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.651 -0.743 -1.189 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.661 -5.083 1.024 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.545 -2.827 -2.492 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.067 -4.961 -1.406 1.00 1.82 H ATOM 70 N GLY A 102 18.428 3.313 0.576 1.00 1.01 N ATOM 71 CA GLY A 102 18.774 4.692 0.288 1.00 1.40 C ATOM 72 C GLY A 102 19.757 5.206 1.314 1.00 1.46 C ATOM 73 O GLY A 102 20.674 5.966 0.998 1.00 1.92 O ATOM 74 H GLY A 102 18.942 2.587 0.170 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.216 4.749 -0.696 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.881 5.298 0.318 1.00 1.61 H ATOM 77 N ASN A 103 19.567 4.749 2.547 1.00 1.23 N ATOM 78 CA ASN A 103 20.427 5.101 3.662 1.00 1.39 C ATOM 79 C ASN A 103 21.807 4.457 3.532 1.00 1.23 C ATOM 80 O ASN A 103 22.687 4.688 4.361 1.00 1.44 O ATOM 81 CB ASN A 103 19.773 4.652 4.974 1.00 1.49 C ATOM 82 CG ASN A 103 19.418 3.159 5.027 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.909 2.687 6.044 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.668 2.399 3.949 1.00 0.95 N ATOM 85 H ASN A 103 18.827 4.136 2.710 1.00 1.19 H ATOM 86 HA ASN A 103 20.539 6.174 3.674 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.449 4.863 5.788 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.865 5.219 5.119 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.068 2.811 3.164 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.428 1.448 3.989 1.00 0.89 H ATOM 91 N GLY A 104 21.985 3.634 2.501 1.00 0.91 N ATOM 92 CA GLY A 104 23.248 2.961 2.304 1.00 0.80 C ATOM 93 C GLY A 104 23.626 2.111 3.498 1.00 0.86 C ATOM 94 O GLY A 104 24.771 2.126 3.949 1.00 1.08 O ATOM 95 H GLY A 104 21.250 3.472 1.877 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.166 2.326 1.434 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.018 3.697 2.137 1.00 1.02 H ATOM 98 N CYS A 105 22.652 1.367 4.008 1.00 0.85 N ATOM 99 CA CYS A 105 22.866 0.498 5.155 1.00 1.18 C ATOM 100 C CYS A 105 22.733 -0.961 4.742 1.00 1.14 C ATOM 101 O CYS A 105 23.401 -1.838 5.293 1.00 1.47 O ATOM 102 CB CYS A 105 21.864 0.823 6.265 1.00 1.47 C ATOM 103 SG CYS A 105 22.043 -0.200 7.745 1.00 2.45 S ATOM 104 H CYS A 105 21.764 1.403 3.598 1.00 0.74 H ATOM 105 HA CYS A 105 23.868 0.669 5.522 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.989 1.853 6.562 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.863 0.682 5.887 1.00 1.91 H ATOM 108 HG CYS A 105 21.366 -0.880 7.720 1.00 2.81 H ATOM 109 N GLY A 106 21.873 -1.214 3.759 1.00 0.89 N ATOM 110 CA GLY A 106 21.678 -2.566 3.280 1.00 1.13 C ATOM 111 C GLY A 106 22.112 -2.721 1.839 1.00 1.06 C ATOM 112 O GLY A 106 22.450 -3.819 1.399 1.00 1.42 O ATOM 113 H GLY A 106 21.373 -0.473 3.349 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.256 -3.241 3.895 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.633 -2.821 3.362 1.00 1.23 H ATOM 116 N LEU A 107 22.107 -1.611 1.106 1.00 0.76 N ATOM 117 CA LEU A 107 22.506 -1.604 -0.295 1.00 0.98 C ATOM 118 C LEU A 107 22.300 -0.219 -0.902 1.00 0.95 C ATOM 119 O LEU A 107 21.420 0.529 -0.476 1.00 0.88 O ATOM 120 CB LEU A 107 21.722 -2.665 -1.077 1.00 1.54 C ATOM 121 CG LEU A 107 21.936 -2.669 -2.590 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.408 -2.851 -2.928 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.103 -3.765 -3.239 1.00 2.51 C ATOM 124 H LEU A 107 21.831 -0.768 1.521 1.00 0.55 H ATOM 125 HA LEU A 107 23.555 -1.842 -0.332 1.00 1.00 H ATOM 126 HB2 LEU A 107 22.001 -3.638 -0.698 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.675 -2.515 -0.885 1.00 2.34 H ATOM 128 HG LEU A 107 21.611 -1.723 -2.994 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.609 -3.896 -3.111 1.00 2.90 H ATOM 130 HD12 LEU A 107 24.012 -2.508 -2.103 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.647 -2.279 -3.813 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.148 -3.362 -3.539 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.950 -4.567 -2.533 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.623 -4.144 -4.108 1.00 3.04 H ATOM 135 N PHE A 108 23.128 0.121 -1.888 1.00 1.24 N ATOM 136 CA PHE A 108 23.056 1.421 -2.554 1.00 1.54 C ATOM 137 C PHE A 108 23.589 2.528 -1.648 1.00 1.42 C ATOM 138 O PHE A 108 22.935 3.552 -1.451 1.00 1.71 O ATOM 139 CB PHE A 108 21.621 1.738 -2.974 1.00 1.83 C ATOM 140 CG PHE A 108 21.014 0.691 -3.834 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.569 0.379 -5.060 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.885 0.020 -3.414 1.00 2.54 C ATOM 143 CE1 PHE A 108 21.005 -0.590 -5.855 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.314 -0.949 -4.204 1.00 2.91 C ATOM 145 CZ PHE A 108 19.876 -1.252 -5.425 1.00 2.92 C ATOM 146 H PHE A 108 23.813 -0.521 -2.173 1.00 1.34 H ATOM 147 HA PHE A 108 23.674 1.371 -3.438 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.003 1.836 -2.099 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.607 2.662 -3.528 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.455 0.901 -5.391 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.451 0.263 -2.455 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.443 -0.830 -6.812 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.428 -1.469 -3.870 1.00 3.46 H ATOM 154 HZ PHE A 108 19.435 -2.003 -6.038 1.00 3.26 H ATOM 155 N GLY A 109 24.782 2.318 -1.100 1.00 1.13 N ATOM 156 CA GLY A 109 25.379 3.309 -0.225 1.00 1.27 C ATOM 157 C GLY A 109 26.258 2.693 0.846 1.00 1.05 C ATOM 158 O GLY A 109 27.209 3.320 1.314 1.00 1.35 O ATOM 159 H GLY A 109 25.261 1.484 -1.293 1.00 0.96 H ATOM 160 HA2 GLY A 109 25.978 3.983 -0.820 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.591 3.872 0.252 1.00 1.43 H ATOM 162 N LYS A 110 25.942 1.463 1.239 1.00 0.71 N ATOM 163 CA LYS A 110 26.714 0.767 2.264 1.00 0.90 C ATOM 164 C LYS A 110 28.173 0.624 1.850 1.00 1.16 C ATOM 165 O LYS A 110 29.059 0.489 2.694 1.00 1.61 O ATOM 166 CB LYS A 110 26.115 -0.611 2.540 1.00 0.83 C ATOM 167 CG LYS A 110 26.097 -1.520 1.324 1.00 1.34 C ATOM 168 CD LYS A 110 25.524 -2.884 1.664 1.00 1.95 C ATOM 169 CE LYS A 110 25.492 -3.795 0.447 1.00 2.22 C ATOM 170 NZ LYS A 110 26.850 -4.005 -0.129 1.00 2.84 N ATOM 171 H LYS A 110 25.173 1.013 0.831 1.00 0.55 H ATOM 172 HA LYS A 110 26.666 1.354 3.165 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.693 -1.093 3.315 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.099 -0.488 2.886 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.490 -1.067 0.555 1.00 1.77 H ATOM 176 HG3 LYS A 110 27.107 -1.642 0.963 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.138 -3.341 2.426 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.520 -2.757 2.037 1.00 2.62 H ATOM 179 HE2 LYS A 110 25.084 -4.751 0.739 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.856 -3.349 -0.304 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.576 -3.664 0.533 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.943 -3.485 -1.025 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.008 -5.017 -0.311 1.00 2.86 H ATOM 184 N GLY A 111 28.415 0.650 0.546 1.00 1.06 N ATOM 185 CA GLY A 111 29.768 0.518 0.037 1.00 1.46 C ATOM 186 C GLY A 111 29.807 -0.056 -1.365 1.00 1.16 C ATOM 187 O GLY A 111 30.154 0.642 -2.319 1.00 1.82 O ATOM 188 H GLY A 111 27.669 0.757 -0.077 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.234 1.493 0.029 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.326 -0.131 0.696 1.00 2.26 H ATOM 191 N GLY A 112 29.449 -1.329 -1.491 1.00 1.66 N ATOM 192 CA GLY A 112 29.451 -1.975 -2.790 1.00 2.42 C ATOM 193 C GLY A 112 30.603 -2.946 -2.954 1.00 3.15 C ATOM 194 O GLY A 112 31.766 -2.489 -2.971 1.00 3.63 O ATOM 195 OXT GLY A 112 30.344 -4.162 -3.066 1.00 3.80 O ATOM 196 H GLY A 112 29.181 -1.834 -0.695 1.00 2.15 H ATOM 197 HA2 GLY A 112 28.522 -2.512 -2.915 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.521 -1.217 -3.556 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 3 ATOM 1 N ASP A 98 11.182 -6.284 -0.684 1.00 3.32 N ATOM 2 CA ASP A 98 11.844 -5.019 -1.097 1.00 2.31 C ATOM 3 C ASP A 98 11.719 -3.952 -0.014 1.00 2.05 C ATOM 4 O ASP A 98 10.624 -3.671 0.473 1.00 2.68 O ATOM 5 CB ASP A 98 11.197 -4.532 -2.395 1.00 2.50 C ATOM 6 CG ASP A 98 11.338 -5.534 -3.523 1.00 3.15 C ATOM 7 OD1 ASP A 98 12.489 -5.861 -3.886 1.00 3.59 O ATOM 8 OD2 ASP A 98 10.300 -5.994 -4.044 1.00 3.81 O ATOM 9 H1 ASP A 98 10.176 -6.078 -0.521 1.00 3.66 H ATOM 10 H2 ASP A 98 11.645 -6.613 0.187 1.00 3.69 H ATOM 11 H3 ASP A 98 11.302 -6.971 -1.456 1.00 3.70 H ATOM 12 HA ASP A 98 12.889 -5.220 -1.274 1.00 2.14 H ATOM 13 HB2 ASP A 98 10.145 -4.358 -2.223 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.665 -3.607 -2.698 1.00 2.83 H ATOM 15 N ARG A 99 12.850 -3.361 0.359 1.00 1.42 N ATOM 16 CA ARG A 99 12.870 -2.325 1.384 1.00 1.29 C ATOM 17 C ARG A 99 12.777 -0.935 0.760 1.00 0.77 C ATOM 18 O ARG A 99 11.687 -0.389 0.595 1.00 0.82 O ATOM 19 CB ARG A 99 14.139 -2.452 2.238 1.00 1.56 C ATOM 20 CG ARG A 99 14.306 -1.358 3.286 1.00 1.98 C ATOM 21 CD ARG A 99 13.190 -1.384 4.322 1.00 2.97 C ATOM 22 NE ARG A 99 11.890 -1.039 3.751 1.00 2.80 N ATOM 23 CZ ARG A 99 11.590 0.160 3.256 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.477 1.147 3.299 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.394 0.376 2.725 1.00 3.12 N ATOM 26 H ARG A 99 13.691 -3.630 -0.066 1.00 1.41 H ATOM 27 HA ARG A 99 12.015 -2.473 2.013 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.115 -3.403 2.750 1.00 1.81 H ATOM 29 HB3 ARG A 99 15.001 -2.431 1.587 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.251 -1.497 3.790 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.303 -0.398 2.790 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.132 -2.378 4.743 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.428 -0.675 5.105 1.00 3.45 H ATOM 34 HE ARG A 99 11.207 -1.742 3.726 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.375 0.995 3.710 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.244 2.044 2.923 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.718 -0.361 2.697 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.168 1.276 2.351 1.00 3.62 H ATOM 39 N GLY A 100 13.926 -0.369 0.423 1.00 0.77 N ATOM 40 CA GLY A 100 13.960 0.956 -0.172 1.00 1.22 C ATOM 41 C GLY A 100 15.007 1.834 0.479 1.00 1.13 C ATOM 42 O GLY A 100 14.740 2.980 0.839 1.00 1.40 O ATOM 43 H GLY A 100 14.760 -0.853 0.585 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.181 0.864 -1.225 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.991 1.420 -0.055 1.00 1.68 H ATOM 46 N TRP A 101 16.199 1.277 0.642 1.00 0.82 N ATOM 47 CA TRP A 101 17.308 1.983 1.268 1.00 0.75 C ATOM 48 C TRP A 101 17.700 3.231 0.482 1.00 0.98 C ATOM 49 O TRP A 101 17.115 4.297 0.670 1.00 1.30 O ATOM 50 CB TRP A 101 18.496 1.035 1.408 1.00 0.53 C ATOM 51 CG TRP A 101 18.153 -0.201 2.152 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.837 -0.320 3.463 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.055 -1.493 1.590 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.566 -1.636 3.762 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.692 -2.376 2.614 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.250 -1.977 0.310 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.517 -3.735 2.387 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.080 -3.323 0.074 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.714 -4.193 1.107 1.00 1.53 C ATOM 60 H TRP A 101 16.336 0.355 0.342 1.00 0.74 H ATOM 61 HA TRP A 101 16.997 2.287 2.254 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.834 0.735 0.430 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.297 1.532 1.931 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.821 0.501 4.153 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.319 -1.984 4.644 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.532 -1.311 -0.488 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.232 -4.410 3.175 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.229 -3.715 -0.919 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.596 -5.240 0.880 1.00 1.82 H ATOM 70 N GLY A 102 18.715 3.109 -0.368 1.00 1.01 N ATOM 71 CA GLY A 102 19.184 4.254 -1.124 1.00 1.40 C ATOM 72 C GLY A 102 20.192 5.035 -0.311 1.00 1.46 C ATOM 73 O GLY A 102 21.175 5.557 -0.837 1.00 1.92 O ATOM 74 H GLY A 102 19.168 2.246 -0.457 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.649 3.911 -2.038 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.349 4.892 -1.363 1.00 1.61 H ATOM 77 N ASN A 103 19.941 5.078 0.993 1.00 1.23 N ATOM 78 CA ASN A 103 20.809 5.751 1.943 1.00 1.39 C ATOM 79 C ASN A 103 22.127 5.000 2.129 1.00 1.23 C ATOM 80 O ASN A 103 23.011 5.456 2.854 1.00 1.44 O ATOM 81 CB ASN A 103 20.092 5.876 3.293 1.00 1.49 C ATOM 82 CG ASN A 103 19.593 4.544 3.873 1.00 1.26 C ATOM 83 OD1 ASN A 103 19.022 4.528 4.964 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.789 3.421 3.167 1.00 0.95 N ATOM 85 H ASN A 103 19.149 4.623 1.334 1.00 1.19 H ATOM 86 HA ASN A 103 21.018 6.739 1.564 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.772 6.315 4.007 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.241 6.531 3.173 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.243 3.476 2.309 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.455 2.576 3.541 1.00 0.89 H ATOM 91 N GLY A 104 22.249 3.841 1.486 1.00 0.91 N ATOM 92 CA GLY A 104 23.451 3.049 1.613 1.00 0.80 C ATOM 93 C GLY A 104 23.731 2.669 3.051 1.00 0.86 C ATOM 94 O GLY A 104 24.873 2.725 3.509 1.00 1.08 O ATOM 95 H GLY A 104 21.514 3.515 0.931 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.331 2.147 1.029 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.285 3.612 1.228 1.00 1.02 H ATOM 98 N CYS A 105 22.681 2.279 3.761 1.00 0.85 N ATOM 99 CA CYS A 105 22.798 1.883 5.157 1.00 1.18 C ATOM 100 C CYS A 105 22.535 0.391 5.305 1.00 1.14 C ATOM 101 O CYS A 105 23.094 -0.265 6.184 1.00 1.47 O ATOM 102 CB CYS A 105 21.819 2.678 6.022 1.00 1.47 C ATOM 103 SG CYS A 105 21.885 2.266 7.782 1.00 2.45 S ATOM 104 H CYS A 105 21.801 2.256 3.334 1.00 0.74 H ATOM 105 HA CYS A 105 23.808 2.094 5.480 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.036 3.731 5.924 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.813 2.491 5.677 1.00 1.91 H ATOM 108 HG CYS A 105 21.761 3.078 8.281 1.00 2.81 H ATOM 109 N GLY A 106 21.682 -0.141 4.433 1.00 0.89 N ATOM 110 CA GLY A 106 21.368 -1.554 4.481 1.00 1.13 C ATOM 111 C GLY A 106 21.796 -2.273 3.219 1.00 1.06 C ATOM 112 O GLY A 106 22.033 -3.480 3.235 1.00 1.42 O ATOM 113 H GLY A 106 21.268 0.429 3.746 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.875 -1.997 5.325 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.302 -1.674 4.607 1.00 1.23 H ATOM 116 N LEU A 107 21.899 -1.523 2.125 1.00 0.76 N ATOM 117 CA LEU A 107 22.306 -2.079 0.841 1.00 0.98 C ATOM 118 C LEU A 107 22.236 -1.013 -0.250 1.00 0.95 C ATOM 119 O LEU A 107 21.441 -0.078 -0.165 1.00 0.88 O ATOM 120 CB LEU A 107 21.431 -3.286 0.483 1.00 1.54 C ATOM 121 CG LEU A 107 21.656 -3.884 -0.906 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.107 -4.309 -1.082 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.727 -5.067 -1.130 1.00 2.51 C ATOM 124 H LEU A 107 21.700 -0.567 2.183 1.00 0.55 H ATOM 125 HA LEU A 107 23.329 -2.401 0.939 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.612 -4.062 1.212 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.401 -2.985 0.556 1.00 2.34 H ATOM 128 HG LEU A 107 21.430 -3.137 -1.652 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.204 -5.360 -0.850 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.734 -3.734 -0.417 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.411 -4.137 -2.104 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.404 -5.081 -2.160 1.00 2.74 H ATOM 133 HD22 LEU A 107 19.865 -4.974 -0.485 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.250 -5.983 -0.902 1.00 3.04 H ATOM 135 N PHE A 108 23.084 -1.158 -1.267 1.00 1.24 N ATOM 136 CA PHE A 108 23.138 -0.208 -2.379 1.00 1.54 C ATOM 137 C PHE A 108 23.784 1.105 -1.945 1.00 1.42 C ATOM 138 O PHE A 108 23.299 2.186 -2.280 1.00 1.71 O ATOM 139 CB PHE A 108 21.738 0.061 -2.932 1.00 1.83 C ATOM 140 CG PHE A 108 21.024 -1.170 -3.353 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.544 -1.983 -4.343 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.829 -1.513 -2.758 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.879 -3.120 -4.732 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.158 -2.650 -3.142 1.00 2.91 C ATOM 145 CZ PHE A 108 19.684 -3.452 -4.130 1.00 2.92 C ATOM 146 H PHE A 108 23.696 -1.922 -1.270 1.00 1.34 H ATOM 147 HA PHE A 108 23.741 -0.648 -3.157 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.139 0.542 -2.181 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.814 0.704 -3.795 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.480 -1.717 -4.811 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.423 -0.879 -1.982 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.290 -3.751 -5.507 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.221 -2.910 -2.673 1.00 3.46 H ATOM 154 HZ PHE A 108 19.166 -4.332 -4.430 1.00 3.26 H ATOM 155 N GLY A 109 24.880 1.005 -1.202 1.00 1.13 N ATOM 156 CA GLY A 109 25.570 2.195 -0.742 1.00 1.27 C ATOM 157 C GLY A 109 26.409 1.946 0.497 1.00 1.05 C ATOM 158 O GLY A 109 27.439 2.592 0.695 1.00 1.35 O ATOM 159 H GLY A 109 25.224 0.118 -0.966 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.215 2.551 -1.532 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.839 2.957 -0.521 1.00 1.43 H ATOM 162 N LYS A 110 25.972 1.010 1.333 1.00 0.71 N ATOM 163 CA LYS A 110 26.697 0.686 2.558 1.00 0.90 C ATOM 164 C LYS A 110 28.123 0.238 2.250 1.00 1.16 C ATOM 165 O LYS A 110 29.003 0.303 3.108 1.00 1.61 O ATOM 166 CB LYS A 110 25.968 -0.407 3.340 1.00 0.83 C ATOM 167 CG LYS A 110 25.825 -1.712 2.576 1.00 1.34 C ATOM 168 CD LYS A 110 25.123 -2.766 3.415 1.00 1.95 C ATOM 169 CE LYS A 110 24.959 -4.069 2.650 1.00 2.22 C ATOM 170 NZ LYS A 110 26.271 -4.636 2.229 1.00 2.84 N ATOM 171 H LYS A 110 25.145 0.527 1.124 1.00 0.55 H ATOM 172 HA LYS A 110 26.738 1.576 3.160 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.513 -0.606 4.250 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.979 -0.053 3.593 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.247 -1.534 1.682 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.807 -2.071 2.308 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.708 -2.953 4.302 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.149 -2.395 3.696 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.456 -4.783 3.285 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.358 -3.883 1.772 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.995 -4.431 2.947 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.568 -4.218 1.325 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.194 -5.666 2.113 1.00 2.86 H ATOM 184 N GLY A 111 28.343 -0.214 1.021 1.00 1.06 N ATOM 185 CA GLY A 111 29.663 -0.665 0.620 1.00 1.46 C ATOM 186 C GLY A 111 29.755 -0.939 -0.869 1.00 1.16 C ATOM 187 O GLY A 111 30.484 -1.833 -1.298 1.00 1.82 O ATOM 188 H GLY A 111 27.603 -0.242 0.380 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.386 0.093 0.881 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.900 -1.572 1.156 1.00 2.26 H ATOM 191 N GLY A 112 29.015 -0.166 -1.657 1.00 1.66 N ATOM 192 CA GLY A 112 29.030 -0.344 -3.098 1.00 2.42 C ATOM 193 C GLY A 112 27.638 -0.334 -3.697 1.00 3.15 C ATOM 194 O GLY A 112 27.484 0.169 -4.830 1.00 3.63 O ATOM 195 OXT GLY A 112 26.702 -0.829 -3.035 1.00 3.80 O ATOM 196 H GLY A 112 28.454 0.530 -1.257 1.00 2.15 H ATOM 197 HA2 GLY A 112 29.607 0.454 -3.541 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.503 -1.288 -3.328 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 4 ATOM 1 N ASP A 98 10.222 -5.560 -1.521 1.00 3.32 N ATOM 2 CA ASP A 98 11.568 -4.984 -1.263 1.00 2.31 C ATOM 3 C ASP A 98 11.535 -4.008 -0.091 1.00 2.05 C ATOM 4 O ASP A 98 10.504 -3.834 0.557 1.00 2.68 O ATOM 5 CB ASP A 98 12.045 -4.273 -2.530 1.00 2.50 C ATOM 6 CG ASP A 98 12.145 -5.211 -3.717 1.00 3.15 C ATOM 7 OD1 ASP A 98 12.919 -6.188 -3.637 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.450 -4.967 -4.727 1.00 3.81 O ATOM 9 H1 ASP A 98 9.855 -5.924 -0.619 1.00 3.66 H ATOM 10 H2 ASP A 98 10.334 -6.325 -2.218 1.00 3.69 H ATOM 11 H3 ASP A 98 9.618 -4.799 -1.891 1.00 3.70 H ATOM 12 HA ASP A 98 12.248 -5.791 -1.031 1.00 2.14 H ATOM 13 HB2 ASP A 98 11.349 -3.484 -2.776 1.00 2.65 H ATOM 14 HB3 ASP A 98 13.020 -3.843 -2.349 1.00 2.83 H ATOM 15 N ARG A 99 12.672 -3.373 0.174 1.00 1.42 N ATOM 16 CA ARG A 99 12.775 -2.413 1.266 1.00 1.29 C ATOM 17 C ARG A 99 12.710 -0.979 0.744 1.00 0.77 C ATOM 18 O ARG A 99 11.634 -0.388 0.659 1.00 0.82 O ATOM 19 CB ARG A 99 14.072 -2.645 2.054 1.00 1.56 C ATOM 20 CG ARG A 99 14.318 -1.639 3.172 1.00 1.98 C ATOM 21 CD ARG A 99 13.236 -1.698 4.243 1.00 2.97 C ATOM 22 NE ARG A 99 11.934 -1.259 3.747 1.00 2.80 N ATOM 23 CZ ARG A 99 11.670 -0.014 3.354 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.598 0.930 3.441 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.467 0.290 2.886 1.00 3.12 N ATOM 26 H ARG A 99 13.461 -3.554 -0.379 1.00 1.41 H ATOM 27 HA ARG A 99 11.940 -2.574 1.920 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.035 -3.630 2.494 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.906 -2.602 1.370 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.272 -1.853 3.630 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.338 -0.645 2.748 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.149 -2.719 4.590 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.530 -1.061 5.067 1.00 3.45 H ATOM 34 HE ARG A 99 11.221 -1.930 3.690 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.503 0.710 3.805 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.393 1.862 3.143 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.760 -0.413 2.827 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.267 1.226 2.591 1.00 3.62 H ATOM 39 N GLY A 100 13.863 -0.429 0.400 1.00 0.77 N ATOM 40 CA GLY A 100 13.921 0.932 -0.103 1.00 1.22 C ATOM 41 C GLY A 100 14.971 1.753 0.615 1.00 1.13 C ATOM 42 O GLY A 100 14.689 2.841 1.118 1.00 1.40 O ATOM 43 H GLY A 100 14.686 -0.950 0.494 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.154 0.908 -1.158 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.957 1.398 0.035 1.00 1.68 H ATOM 46 N TRP A 101 16.181 1.215 0.673 1.00 0.82 N ATOM 47 CA TRP A 101 17.291 1.875 1.345 1.00 0.75 C ATOM 48 C TRP A 101 17.663 3.189 0.661 1.00 0.98 C ATOM 49 O TRP A 101 17.057 4.226 0.932 1.00 1.30 O ATOM 50 CB TRP A 101 18.489 0.929 1.395 1.00 0.53 C ATOM 51 CG TRP A 101 18.161 -0.374 2.022 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.834 -0.617 3.314 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.094 -1.613 1.346 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.584 -1.958 3.490 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.737 -2.590 2.283 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.312 -1.977 0.030 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.591 -3.926 1.933 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.170 -3.298 -0.327 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.812 -4.265 0.621 1.00 1.53 C ATOM 60 H TRP A 101 16.331 0.339 0.260 1.00 0.74 H ATOM 61 HA TRP A 101 16.987 2.093 2.355 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.829 0.724 0.393 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.286 1.385 1.962 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.796 0.140 4.073 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.336 -2.387 4.334 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.589 -1.237 -0.701 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.312 -4.675 2.655 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.337 -3.598 -1.349 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.716 -5.290 0.300 1.00 1.82 H ATOM 70 N GLY A 102 18.683 3.155 -0.190 1.00 1.01 N ATOM 71 CA GLY A 102 19.133 4.365 -0.850 1.00 1.40 C ATOM 72 C GLY A 102 20.122 5.096 0.028 1.00 1.46 C ATOM 73 O GLY A 102 21.099 5.675 -0.448 1.00 1.92 O ATOM 74 H GLY A 102 19.154 2.313 -0.347 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.607 4.105 -1.787 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.286 5.006 -1.042 1.00 1.61 H ATOM 77 N ASN A 103 19.866 5.030 1.330 1.00 1.23 N ATOM 78 CA ASN A 103 20.720 5.640 2.334 1.00 1.39 C ATOM 79 C ASN A 103 22.058 4.910 2.445 1.00 1.23 C ATOM 80 O ASN A 103 22.942 5.332 3.189 1.00 1.44 O ATOM 81 CB ASN A 103 20.009 5.632 3.691 1.00 1.49 C ATOM 82 CG ASN A 103 19.535 4.247 4.155 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.971 4.125 5.242 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.743 3.193 3.352 1.00 0.95 N ATOM 85 H ASN A 103 19.080 4.537 1.631 1.00 1.19 H ATOM 86 HA ASN A 103 20.902 6.662 2.040 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.684 6.018 4.439 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.146 6.280 3.634 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.192 3.331 2.500 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.426 2.314 3.653 1.00 0.89 H ATOM 91 N GLY A 104 22.200 3.808 1.711 1.00 0.91 N ATOM 92 CA GLY A 104 23.424 3.041 1.756 1.00 0.80 C ATOM 93 C GLY A 104 23.736 2.547 3.152 1.00 0.86 C ATOM 94 O GLY A 104 24.891 2.540 3.577 1.00 1.08 O ATOM 95 H GLY A 104 21.465 3.509 1.140 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.319 2.189 1.100 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.237 3.658 1.410 1.00 1.02 H ATOM 98 N CYS A 105 22.698 2.126 3.863 1.00 0.85 N ATOM 99 CA CYS A 105 22.849 1.619 5.219 1.00 1.18 C ATOM 100 C CYS A 105 22.603 0.117 5.250 1.00 1.14 C ATOM 101 O CYS A 105 23.181 -0.601 6.068 1.00 1.47 O ATOM 102 CB CYS A 105 21.878 2.330 6.165 1.00 1.47 C ATOM 103 SG CYS A 105 21.988 1.780 7.884 1.00 2.45 S ATOM 104 H CYS A 105 21.805 2.153 3.464 1.00 0.74 H ATOM 105 HA CYS A 105 23.862 1.816 5.538 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.080 3.390 6.147 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.866 2.156 5.827 1.00 1.91 H ATOM 108 HG CYS A 105 21.119 1.876 8.281 1.00 2.81 H ATOM 109 N GLY A 106 21.747 -0.354 4.348 1.00 0.89 N ATOM 110 CA GLY A 106 21.449 -1.771 4.283 1.00 1.13 C ATOM 111 C GLY A 106 21.883 -2.386 2.970 1.00 1.06 C ATOM 112 O GLY A 106 22.136 -3.588 2.892 1.00 1.42 O ATOM 113 H GLY A 106 21.320 0.264 3.714 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.963 -2.273 5.090 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.386 -1.911 4.402 1.00 1.23 H ATOM 116 N LEU A 107 21.975 -1.553 1.935 1.00 0.76 N ATOM 117 CA LEU A 107 22.385 -2.006 0.612 1.00 0.98 C ATOM 118 C LEU A 107 22.317 -0.857 -0.390 1.00 0.95 C ATOM 119 O LEU A 107 21.538 0.081 -0.218 1.00 0.88 O ATOM 120 CB LEU A 107 21.509 -3.179 0.159 1.00 1.54 C ATOM 121 CG LEU A 107 21.747 -3.677 -1.268 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.194 -4.105 -1.457 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.806 -4.829 -1.588 1.00 2.51 C ATOM 124 H LEU A 107 21.763 -0.606 2.066 1.00 0.55 H ATOM 125 HA LEU A 107 23.408 -2.337 0.685 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.678 -4.006 0.832 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.480 -2.879 0.242 1.00 2.34 H ATOM 128 HG LEU A 107 21.537 -2.877 -1.959 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.284 -5.163 -1.261 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.825 -3.557 -0.774 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.500 -3.901 -2.472 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.952 -4.456 -2.134 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.473 -5.288 -0.669 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.324 -5.562 -2.189 1.00 3.04 H ATOM 135 N PHE A 108 23.146 -0.931 -1.430 1.00 1.24 N ATOM 136 CA PHE A 108 23.199 0.104 -2.462 1.00 1.54 C ATOM 137 C PHE A 108 23.875 1.367 -1.937 1.00 1.42 C ATOM 138 O PHE A 108 23.449 2.482 -2.244 1.00 1.71 O ATOM 139 CB PHE A 108 21.796 0.440 -2.969 1.00 1.83 C ATOM 140 CG PHE A 108 21.050 -0.742 -3.468 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.553 -1.505 -4.504 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.841 -1.086 -2.900 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.858 -2.598 -4.966 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.140 -2.177 -3.357 1.00 2.91 C ATOM 145 CZ PHE A 108 19.651 -2.932 -4.390 1.00 2.92 C ATOM 146 H PHE A 108 23.747 -1.701 -1.502 1.00 1.34 H ATOM 147 HA PHE A 108 23.781 -0.283 -3.284 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.218 0.874 -2.173 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.871 1.144 -3.782 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.500 -1.239 -4.951 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.448 -0.490 -2.090 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.255 -3.191 -5.776 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.194 -2.440 -2.909 1.00 3.46 H ATOM 154 HZ PHE A 108 19.111 -3.777 -4.747 1.00 3.26 H ATOM 155 N GLY A 109 24.932 1.189 -1.151 1.00 1.13 N ATOM 156 CA GLY A 109 25.642 2.332 -0.607 1.00 1.27 C ATOM 157 C GLY A 109 26.490 1.984 0.602 1.00 1.05 C ATOM 158 O GLY A 109 27.549 2.574 0.812 1.00 1.35 O ATOM 159 H GLY A 109 25.231 0.281 -0.941 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.285 2.738 -1.375 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.923 3.086 -0.324 1.00 1.43 H ATOM 162 N LYS A 110 26.026 1.028 1.402 1.00 0.71 N ATOM 163 CA LYS A 110 26.758 0.617 2.597 1.00 0.90 C ATOM 164 C LYS A 110 28.173 0.162 2.248 1.00 1.16 C ATOM 165 O LYS A 110 29.065 0.173 3.095 1.00 1.61 O ATOM 166 CB LYS A 110 26.019 -0.506 3.325 1.00 0.83 C ATOM 167 CG LYS A 110 25.838 -1.762 2.491 1.00 1.34 C ATOM 168 CD LYS A 110 25.142 -2.852 3.285 1.00 1.95 C ATOM 169 CE LYS A 110 24.926 -4.103 2.448 1.00 2.22 C ATOM 170 NZ LYS A 110 26.210 -4.673 1.956 1.00 2.84 N ATOM 171 H LYS A 110 25.174 0.593 1.188 1.00 0.55 H ATOM 172 HA LYS A 110 26.823 1.469 3.250 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.573 -0.768 4.214 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.042 -0.148 3.613 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.242 -1.524 1.623 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.809 -2.118 2.179 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.750 -3.104 4.141 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.185 -2.481 3.620 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.423 -4.842 3.053 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.306 -3.850 1.601 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.235 -5.699 2.127 1.00 3.29 H ATOM 182 HZ2 LYS A 110 27.012 -4.231 2.450 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.310 -4.500 0.935 1.00 2.86 H ATOM 184 N GLY A 111 28.369 -0.235 0.997 1.00 1.06 N ATOM 185 CA GLY A 111 29.676 -0.687 0.558 1.00 1.46 C ATOM 186 C GLY A 111 29.973 -0.298 -0.877 1.00 1.16 C ATOM 187 O GLY A 111 30.898 0.468 -1.141 1.00 1.82 O ATOM 188 H GLY A 111 27.621 -0.222 0.367 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.429 -0.254 1.200 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.721 -1.763 0.645 1.00 2.26 H ATOM 191 N GLY A 112 29.183 -0.829 -1.806 1.00 1.66 N ATOM 192 CA GLY A 112 29.381 -0.520 -3.211 1.00 2.42 C ATOM 193 C GLY A 112 28.101 -0.079 -3.893 1.00 3.15 C ATOM 194 O GLY A 112 28.190 0.613 -4.929 1.00 3.63 O ATOM 195 OXT GLY A 112 27.011 -0.425 -3.391 1.00 3.80 O ATOM 196 H GLY A 112 28.461 -1.433 -1.536 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.113 0.269 -3.296 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.757 -1.401 -3.711 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 5 ATOM 1 N ASP A 98 13.110 -5.256 -2.610 1.00 3.32 N ATOM 2 CA ASP A 98 11.794 -5.045 -1.951 1.00 2.31 C ATOM 3 C ASP A 98 11.962 -4.425 -0.567 1.00 2.05 C ATOM 4 O ASP A 98 11.757 -5.088 0.451 1.00 2.68 O ATOM 5 CB ASP A 98 11.080 -6.395 -1.844 1.00 2.50 C ATOM 6 CG ASP A 98 10.841 -7.030 -3.199 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.146 -6.411 -4.033 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.348 -8.149 -3.428 1.00 3.81 O ATOM 9 H1 ASP A 98 12.937 -5.405 -3.623 1.00 3.66 H ATOM 10 H2 ASP A 98 13.549 -6.094 -2.175 1.00 3.69 H ATOM 11 H3 ASP A 98 13.684 -4.405 -2.449 1.00 3.70 H ATOM 12 HA ASP A 98 11.205 -4.380 -2.565 1.00 2.14 H ATOM 13 HB2 ASP A 98 11.683 -7.068 -1.253 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.125 -6.252 -1.360 1.00 2.83 H ATOM 15 N ARG A 99 12.338 -3.151 -0.537 1.00 1.42 N ATOM 16 CA ARG A 99 12.535 -2.442 0.721 1.00 1.29 C ATOM 17 C ARG A 99 12.487 -0.931 0.510 1.00 0.77 C ATOM 18 O ARG A 99 11.430 -0.311 0.634 1.00 0.82 O ATOM 19 CB ARG A 99 13.866 -2.860 1.359 1.00 1.56 C ATOM 20 CG ARG A 99 14.198 -2.126 2.652 1.00 1.98 C ATOM 21 CD ARG A 99 13.163 -2.388 3.736 1.00 2.97 C ATOM 22 NE ARG A 99 11.863 -1.798 3.422 1.00 2.80 N ATOM 23 CZ ARG A 99 11.644 -0.488 3.337 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.620 0.375 3.587 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.439 -0.039 3.014 1.00 3.12 N ATOM 26 H ARG A 99 12.487 -2.677 -1.380 1.00 1.41 H ATOM 27 HA ARG A 99 11.734 -2.720 1.378 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.828 -3.917 1.575 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.663 -2.679 0.652 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.163 -2.459 3.005 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.236 -1.065 2.450 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.041 -3.458 3.844 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.523 -1.970 4.667 1.00 3.45 H ATOM 34 HE ARG A 99 11.117 -2.410 3.254 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.529 0.045 3.843 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.449 1.358 3.519 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.696 -0.683 2.835 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.273 0.946 2.950 1.00 3.62 H ATOM 39 N GLY A 100 13.632 -0.347 0.195 1.00 0.77 N ATOM 40 CA GLY A 100 13.704 1.088 -0.022 1.00 1.22 C ATOM 41 C GLY A 100 14.746 1.739 0.862 1.00 1.13 C ATOM 42 O GLY A 100 14.439 2.640 1.642 1.00 1.40 O ATOM 43 H GLY A 100 14.438 -0.895 0.113 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.952 1.274 -1.056 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.739 1.523 0.193 1.00 1.68 H ATOM 46 N TRP A 101 15.979 1.266 0.745 1.00 0.82 N ATOM 47 CA TRP A 101 17.083 1.780 1.543 1.00 0.75 C ATOM 48 C TRP A 101 17.415 3.226 1.180 1.00 0.98 C ATOM 49 O TRP A 101 16.777 4.156 1.672 1.00 1.30 O ATOM 50 CB TRP A 101 18.302 0.879 1.365 1.00 0.53 C ATOM 51 CG TRP A 101 18.008 -0.544 1.659 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.676 -1.095 2.852 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.990 -1.589 0.709 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.467 -2.446 2.701 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.653 -2.770 1.381 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.235 -1.626 -0.651 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.555 -3.990 0.723 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.141 -2.829 -1.313 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.801 -4.002 -0.626 1.00 1.53 C ATOM 60 H TRP A 101 16.150 0.538 0.113 1.00 0.74 H ATOM 61 HA TRP A 101 16.787 1.752 2.579 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.640 0.929 0.343 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.092 1.204 2.024 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.605 -0.542 3.767 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.221 -3.071 3.415 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.498 -0.727 -1.183 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.290 -4.896 1.243 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.329 -2.873 -2.373 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.742 -4.924 -1.183 1.00 1.82 H ATOM 70 N GLY A 102 18.440 3.419 0.351 1.00 1.01 N ATOM 71 CA GLY A 102 18.853 4.760 -0.011 1.00 1.40 C ATOM 72 C GLY A 102 19.825 5.298 1.014 1.00 1.46 C ATOM 73 O GLY A 102 20.781 6.000 0.686 1.00 1.92 O ATOM 74 H GLY A 102 18.938 2.649 0.012 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.331 4.736 -0.982 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.988 5.404 -0.053 1.00 1.61 H ATOM 77 N ASN A 103 19.578 4.923 2.265 1.00 1.23 N ATOM 78 CA ASN A 103 20.419 5.309 3.384 1.00 1.39 C ATOM 79 C ASN A 103 21.777 4.610 3.329 1.00 1.23 C ATOM 80 O ASN A 103 22.651 4.869 4.157 1.00 1.44 O ATOM 81 CB ASN A 103 19.713 4.963 4.700 1.00 1.49 C ATOM 82 CG ASN A 103 19.286 3.493 4.828 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.732 3.104 5.857 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.524 2.663 3.803 1.00 0.95 N ATOM 85 H ASN A 103 18.809 4.350 2.440 1.00 1.19 H ATOM 86 HA ASN A 103 20.571 6.375 3.336 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.378 5.188 5.520 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.829 5.579 4.790 1.00 1.65 H ATOM 89 HD21 ASN A 103 19.963 3.011 3.007 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.237 1.728 3.890 1.00 0.89 H ATOM 91 N GLY A 104 21.948 3.713 2.359 1.00 0.91 N ATOM 92 CA GLY A 104 23.192 2.990 2.232 1.00 0.80 C ATOM 93 C GLY A 104 23.521 2.197 3.478 1.00 0.86 C ATOM 94 O GLY A 104 24.673 2.145 3.909 1.00 1.08 O ATOM 95 H GLY A 104 21.220 3.535 1.731 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.108 2.308 1.398 1.00 0.62 H ATOM 97 HA3 GLY A 104 23.989 3.690 2.038 1.00 1.02 H ATOM 98 N CYS A 105 22.500 1.577 4.057 1.00 0.85 N ATOM 99 CA CYS A 105 22.668 0.774 5.260 1.00 1.18 C ATOM 100 C CYS A 105 22.473 -0.701 4.939 1.00 1.14 C ATOM 101 O CYS A 105 23.086 -1.569 5.561 1.00 1.47 O ATOM 102 CB CYS A 105 21.675 1.214 6.337 1.00 1.47 C ATOM 103 SG CYS A 105 21.802 0.284 7.883 1.00 2.45 S ATOM 104 H CYS A 105 21.610 1.655 3.659 1.00 0.74 H ATOM 105 HA CYS A 105 23.674 0.924 5.623 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.843 2.255 6.567 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.670 1.092 5.961 1.00 1.91 H ATOM 108 HG CYS A 105 22.469 -0.396 7.765 1.00 2.81 H ATOM 109 N GLY A 106 21.621 -0.977 3.957 1.00 0.89 N ATOM 110 CA GLY A 106 21.368 -2.348 3.561 1.00 1.13 C ATOM 111 C GLY A 106 21.817 -2.622 2.142 1.00 1.06 C ATOM 112 O GLY A 106 22.092 -3.765 1.780 1.00 1.42 O ATOM 113 H GLY A 106 21.164 -0.242 3.489 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.900 -3.008 4.231 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.310 -2.546 3.639 1.00 1.23 H ATOM 116 N LEU A 107 21.896 -1.564 1.339 1.00 0.76 N ATOM 117 CA LEU A 107 22.318 -1.673 -0.051 1.00 0.98 C ATOM 118 C LEU A 107 22.222 -0.318 -0.746 1.00 0.95 C ATOM 119 O LEU A 107 21.403 0.521 -0.374 1.00 0.88 O ATOM 120 CB LEU A 107 21.473 -2.724 -0.782 1.00 1.54 C ATOM 121 CG LEU A 107 21.721 -2.851 -2.285 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.182 -3.168 -2.566 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.821 -3.924 -2.881 1.00 2.51 C ATOM 124 H LEU A 107 21.667 -0.680 1.693 1.00 0.55 H ATOM 125 HA LEU A 107 23.349 -1.988 -0.052 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.665 -3.685 -0.329 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.436 -2.480 -0.632 1.00 2.34 H ATOM 128 HG LEU A 107 21.481 -1.913 -2.762 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.794 -2.796 -1.760 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.481 -2.698 -3.491 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.308 -4.237 -2.649 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.489 -4.590 -2.099 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.369 -4.484 -3.623 1.00 3.02 H ATOM 134 HD23 LEU A 107 19.963 -3.457 -3.343 1.00 3.04 H ATOM 135 N PHE A 108 23.073 -0.108 -1.749 1.00 1.24 N ATOM 136 CA PHE A 108 23.101 1.149 -2.497 1.00 1.54 C ATOM 137 C PHE A 108 23.719 2.269 -1.665 1.00 1.42 C ATOM 138 O PHE A 108 23.196 3.382 -1.620 1.00 1.71 O ATOM 139 CB PHE A 108 21.694 1.548 -2.943 1.00 1.83 C ATOM 140 CG PHE A 108 21.006 0.499 -3.736 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.550 0.044 -4.922 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.812 -0.030 -3.293 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.909 -0.926 -5.655 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.167 -1.001 -4.021 1.00 2.91 C ATOM 145 CZ PHE A 108 19.717 -1.448 -5.202 1.00 2.92 C ATOM 146 H PHE A 108 23.704 -0.817 -1.990 1.00 1.34 H ATOM 147 HA PHE A 108 23.712 0.994 -3.373 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.086 1.754 -2.080 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.754 2.433 -3.557 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.485 0.456 -5.271 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.388 0.324 -2.366 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.338 -1.279 -6.582 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.232 -1.411 -3.670 1.00 3.46 H ATOM 154 HZ PHE A 108 19.219 -2.200 -5.768 1.00 3.26 H ATOM 155 N GLY A 109 24.839 1.970 -1.011 1.00 1.13 N ATOM 156 CA GLY A 109 25.504 2.970 -0.197 1.00 1.27 C ATOM 157 C GLY A 109 26.334 2.366 0.921 1.00 1.05 C ATOM 158 O GLY A 109 27.364 2.922 1.304 1.00 1.35 O ATOM 159 H GLY A 109 25.214 1.069 -1.086 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.151 3.559 -0.830 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.758 3.620 0.235 1.00 1.43 H ATOM 162 N LYS A 110 25.888 1.231 1.449 1.00 0.71 N ATOM 163 CA LYS A 110 26.603 0.564 2.532 1.00 0.90 C ATOM 164 C LYS A 110 28.039 0.246 2.130 1.00 1.16 C ATOM 165 O LYS A 110 28.927 0.153 2.978 1.00 1.61 O ATOM 166 CB LYS A 110 25.888 -0.724 2.938 1.00 0.83 C ATOM 167 CG LYS A 110 25.790 -1.745 1.818 1.00 1.34 C ATOM 168 CD LYS A 110 25.132 -3.026 2.299 1.00 1.95 C ATOM 169 CE LYS A 110 25.000 -4.042 1.175 1.00 2.22 C ATOM 170 NZ LYS A 110 26.324 -4.416 0.605 1.00 2.84 N ATOM 171 H LYS A 110 25.059 0.834 1.105 1.00 0.55 H ATOM 172 HA LYS A 110 26.621 1.232 3.374 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.423 -1.176 3.761 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.888 -0.480 3.263 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.200 -1.328 1.014 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.783 -1.971 1.460 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.736 -3.452 3.086 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.151 -2.791 2.682 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.523 -4.929 1.565 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.387 -3.618 0.395 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.073 -4.258 1.309 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.526 -3.839 -0.236 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.324 -5.419 0.332 1.00 2.86 H ATOM 184 N GLY A 111 28.256 0.082 0.833 1.00 1.06 N ATOM 185 CA GLY A 111 29.583 -0.225 0.336 1.00 1.46 C ATOM 186 C GLY A 111 29.555 -1.175 -0.846 1.00 1.16 C ATOM 187 O GLY A 111 29.355 -2.377 -0.679 1.00 1.82 O ATOM 188 H GLY A 111 27.508 0.169 0.209 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.065 0.693 0.035 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.157 -0.677 1.132 1.00 2.26 H ATOM 191 N GLY A 112 29.755 -0.633 -2.043 1.00 1.66 N ATOM 192 CA GLY A 112 29.748 -1.455 -3.238 1.00 2.42 C ATOM 193 C GLY A 112 30.928 -1.169 -4.146 1.00 3.15 C ATOM 194 O GLY A 112 31.955 -1.868 -4.023 1.00 3.63 O ATOM 195 OXT GLY A 112 30.824 -0.246 -4.981 1.00 3.80 O ATOM 196 H GLY A 112 29.910 0.332 -2.114 1.00 2.15 H ATOM 197 HA2 GLY A 112 29.775 -2.494 -2.948 1.00 2.60 H ATOM 198 HA3 GLY A 112 28.835 -1.268 -3.784 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 6 ATOM 1 N ASP A 98 11.195 -4.902 -0.061 1.00 3.32 N ATOM 2 CA ASP A 98 11.021 -5.024 1.410 1.00 2.31 C ATOM 3 C ASP A 98 11.106 -3.662 2.090 1.00 2.05 C ATOM 4 O ASP A 98 10.133 -3.187 2.676 1.00 2.68 O ATOM 5 CB ASP A 98 12.108 -5.955 1.954 1.00 2.50 C ATOM 6 CG ASP A 98 12.044 -7.339 1.340 1.00 3.15 C ATOM 7 OD1 ASP A 98 11.000 -8.008 1.490 1.00 3.59 O ATOM 8 OD2 ASP A 98 13.039 -7.754 0.707 1.00 3.81 O ATOM 9 H1 ASP A 98 10.428 -4.300 -0.422 1.00 3.66 H ATOM 10 H2 ASP A 98 11.143 -5.859 -0.466 1.00 3.69 H ATOM 11 H3 ASP A 98 12.123 -4.470 -0.236 1.00 3.70 H ATOM 12 HA ASP A 98 10.051 -5.457 1.607 1.00 2.14 H ATOM 13 HB2 ASP A 98 13.077 -5.530 1.738 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.991 -6.048 3.023 1.00 2.83 H ATOM 15 N ARG A 99 12.276 -3.038 2.007 1.00 1.42 N ATOM 16 CA ARG A 99 12.491 -1.729 2.613 1.00 1.29 C ATOM 17 C ARG A 99 12.474 -0.629 1.556 1.00 0.77 C ATOM 18 O ARG A 99 11.430 -0.041 1.273 1.00 0.82 O ATOM 19 CB ARG A 99 13.814 -1.717 3.390 1.00 1.56 C ATOM 20 CG ARG A 99 14.175 -0.366 3.996 1.00 1.98 C ATOM 21 CD ARG A 99 13.152 0.091 5.028 1.00 2.97 C ATOM 22 NE ARG A 99 11.851 0.387 4.432 1.00 2.80 N ATOM 23 CZ ARG A 99 11.635 1.384 3.577 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.619 2.214 3.250 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.428 1.562 3.057 1.00 3.12 N ATOM 26 H ARG A 99 13.014 -3.468 1.526 1.00 1.41 H ATOM 27 HA ARG A 99 11.685 -1.553 3.298 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.747 -2.436 4.194 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.611 -2.013 2.725 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.140 -0.445 4.476 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.227 0.367 3.205 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.027 -0.695 5.762 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.526 0.982 5.514 1.00 3.45 H ATOM 34 HE ARG A 99 11.101 -0.196 4.672 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.529 2.094 3.647 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.449 2.960 2.605 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.681 0.945 3.307 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.266 2.310 2.414 1.00 3.62 H ATOM 39 N GLY A 100 13.634 -0.352 0.982 1.00 0.77 N ATOM 40 CA GLY A 100 13.737 0.682 -0.032 1.00 1.22 C ATOM 41 C GLY A 100 14.858 1.656 0.270 1.00 1.13 C ATOM 42 O GLY A 100 14.649 2.868 0.311 1.00 1.40 O ATOM 43 H GLY A 100 14.430 -0.852 1.254 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.922 0.219 -0.990 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.804 1.225 -0.078 1.00 1.68 H ATOM 46 N TRP A 101 16.046 1.112 0.496 1.00 0.82 N ATOM 47 CA TRP A 101 17.216 1.916 0.817 1.00 0.75 C ATOM 48 C TRP A 101 17.614 2.823 -0.345 1.00 0.98 C ATOM 49 O TRP A 101 17.068 3.916 -0.498 1.00 1.30 O ATOM 50 CB TRP A 101 18.370 0.998 1.211 1.00 0.53 C ATOM 51 CG TRP A 101 18.014 0.075 2.315 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.735 0.387 3.603 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.864 -1.325 2.193 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.436 -0.756 4.307 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.506 -1.825 3.451 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.007 -2.195 1.129 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.288 -3.179 3.671 1.00 1.48 C ATOM 58 CZ3 TRP A 101 17.793 -3.540 1.336 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.434 -4.025 2.599 1.00 1.53 C ATOM 60 H TRP A 101 16.137 0.137 0.459 1.00 0.74 H ATOM 61 HA TRP A 101 16.972 2.537 1.663 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.652 0.391 0.366 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.214 1.592 1.527 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.763 1.384 3.996 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.206 -0.797 5.259 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.284 -1.827 0.156 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.007 -3.559 4.638 1.00 1.74 H ATOM 68 HZ3 TRP A 101 17.900 -4.231 0.515 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.281 -5.085 2.718 1.00 1.82 H ATOM 70 N GLY A 102 18.591 2.391 -1.138 1.00 1.01 N ATOM 71 CA GLY A 102 19.063 3.207 -2.239 1.00 1.40 C ATOM 72 C GLY A 102 20.126 4.165 -1.754 1.00 1.46 C ATOM 73 O GLY A 102 21.102 4.448 -2.450 1.00 1.92 O ATOM 74 H GLY A 102 19.015 1.529 -0.954 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.479 2.566 -3.004 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.238 3.769 -2.648 1.00 1.61 H ATOM 77 N ASN A 103 19.933 4.638 -0.527 1.00 1.23 N ATOM 78 CA ASN A 103 20.861 5.543 0.126 1.00 1.39 C ATOM 79 C ASN A 103 22.166 4.839 0.495 1.00 1.23 C ATOM 80 O ASN A 103 23.097 5.466 0.998 1.00 1.44 O ATOM 81 CB ASN A 103 20.211 6.123 1.388 1.00 1.49 C ATOM 82 CG ASN A 103 19.701 5.069 2.381 1.00 1.26 C ATOM 83 OD1 ASN A 103 19.181 5.426 3.439 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.827 3.772 2.065 1.00 0.95 N ATOM 85 H ASN A 103 19.142 4.352 -0.034 1.00 1.19 H ATOM 86 HA ASN A 103 21.079 6.350 -0.558 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.936 6.738 1.900 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.376 6.742 1.094 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.241 3.531 1.219 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.485 3.107 2.702 1.00 0.89 H ATOM 91 N GLY A 104 22.224 3.529 0.258 1.00 0.91 N ATOM 92 CA GLY A 104 23.409 2.771 0.588 1.00 0.80 C ATOM 93 C GLY A 104 23.751 2.863 2.060 1.00 0.86 C ATOM 94 O GLY A 104 24.916 3.005 2.429 1.00 1.08 O ATOM 95 H GLY A 104 21.453 3.074 -0.133 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.234 1.735 0.334 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.237 3.144 0.009 1.00 1.02 H ATOM 98 N CYS A 105 22.726 2.778 2.898 1.00 0.85 N ATOM 99 CA CYS A 105 22.906 2.848 4.342 1.00 1.18 C ATOM 100 C CYS A 105 22.595 1.499 4.976 1.00 1.14 C ATOM 101 O CYS A 105 23.184 1.127 5.991 1.00 1.47 O ATOM 102 CB CYS A 105 22.003 3.929 4.940 1.00 1.47 C ATOM 103 SG CYS A 105 22.150 4.104 6.734 1.00 2.45 S ATOM 104 H CYS A 105 21.825 2.662 2.537 1.00 0.74 H ATOM 105 HA CYS A 105 23.937 3.099 4.539 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.254 4.881 4.497 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.974 3.693 4.715 1.00 1.91 H ATOM 108 HG CYS A 105 22.929 3.619 7.017 1.00 2.81 H ATOM 109 N GLY A 106 21.673 0.764 4.362 1.00 0.89 N ATOM 110 CA GLY A 106 21.309 -0.542 4.873 1.00 1.13 C ATOM 111 C GLY A 106 21.659 -1.649 3.902 1.00 1.06 C ATOM 112 O GLY A 106 21.841 -2.799 4.300 1.00 1.42 O ATOM 113 H GLY A 106 21.240 1.107 3.547 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.834 -0.711 5.802 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.246 -0.562 5.060 1.00 1.23 H ATOM 116 N LEU A 107 21.760 -1.294 2.623 1.00 0.76 N ATOM 117 CA LEU A 107 22.095 -2.250 1.577 1.00 0.98 C ATOM 118 C LEU A 107 22.032 -1.584 0.205 1.00 0.95 C ATOM 119 O LEU A 107 21.275 -0.635 0.003 1.00 0.88 O ATOM 120 CB LEU A 107 21.154 -3.460 1.640 1.00 1.54 C ATOM 121 CG LEU A 107 21.302 -4.479 0.510 1.00 1.63 C ATOM 122 CD1 LEU A 107 22.724 -5.013 0.447 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.312 -5.620 0.694 1.00 2.51 C ATOM 124 H LEU A 107 21.605 -0.360 2.376 1.00 0.55 H ATOM 125 HA LEU A 107 23.105 -2.580 1.752 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.327 -3.972 2.575 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.143 -3.097 1.635 1.00 2.34 H ATOM 128 HG LEU A 107 21.081 -3.996 -0.430 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.403 -4.286 0.866 1.00 2.90 H ATOM 130 HD12 LEU A 107 22.993 -5.205 -0.582 1.00 2.76 H ATOM 131 HD13 LEU A 107 22.788 -5.933 1.012 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.431 -5.432 0.098 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.035 -5.689 1.735 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.768 -6.546 0.379 1.00 3.04 H ATOM 135 N PHE A 108 22.843 -2.080 -0.728 1.00 1.24 N ATOM 136 CA PHE A 108 22.898 -1.533 -2.084 1.00 1.54 C ATOM 137 C PHE A 108 23.612 -0.185 -2.103 1.00 1.42 C ATOM 138 O PHE A 108 23.133 0.774 -2.710 1.00 1.71 O ATOM 139 CB PHE A 108 21.492 -1.384 -2.668 1.00 1.83 C ATOM 140 CG PHE A 108 20.714 -2.649 -2.659 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.169 -3.760 -3.341 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.523 -2.721 -1.966 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.445 -4.928 -3.332 1.00 2.93 C ATOM 144 CE2 PHE A 108 18.793 -3.886 -1.953 1.00 2.91 C ATOM 145 CZ PHE A 108 19.256 -4.988 -2.637 1.00 2.92 C ATOM 146 H PHE A 108 23.427 -2.832 -0.498 1.00 1.34 H ATOM 147 HA PHE A 108 23.456 -2.226 -2.694 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.939 -0.659 -2.099 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.566 -1.054 -3.691 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.101 -3.706 -3.884 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.168 -1.853 -1.431 1.00 2.87 H ATOM 152 HE1 PHE A 108 20.805 -5.793 -3.868 1.00 3.48 H ATOM 153 HE2 PHE A 108 17.862 -3.936 -1.410 1.00 3.46 H ATOM 154 HZ PHE A 108 18.693 -5.892 -2.628 1.00 3.26 H ATOM 155 N GLY A 109 24.762 -0.116 -1.439 1.00 1.13 N ATOM 156 CA GLY A 109 25.519 1.121 -1.401 1.00 1.27 C ATOM 157 C GLY A 109 26.375 1.251 -0.156 1.00 1.05 C ATOM 158 O GLY A 109 27.432 1.883 -0.186 1.00 1.35 O ATOM 159 H GLY A 109 25.099 -0.911 -0.975 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.160 1.163 -2.268 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.830 1.951 -1.438 1.00 1.43 H ATOM 162 N LYS A 110 25.922 0.656 0.944 1.00 0.71 N ATOM 163 CA LYS A 110 26.660 0.716 2.201 1.00 0.90 C ATOM 164 C LYS A 110 28.068 0.150 2.043 1.00 1.16 C ATOM 165 O LYS A 110 28.965 0.462 2.826 1.00 1.61 O ATOM 166 CB LYS A 110 25.915 -0.045 3.299 1.00 0.83 C ATOM 167 CG LYS A 110 25.717 -1.519 2.993 1.00 1.34 C ATOM 168 CD LYS A 110 24.987 -2.221 4.125 1.00 1.95 C ATOM 169 CE LYS A 110 24.766 -3.693 3.819 1.00 2.22 C ATOM 170 NZ LYS A 110 26.051 -4.417 3.613 1.00 2.84 N ATOM 171 H LYS A 110 25.072 0.168 0.910 1.00 0.55 H ATOM 172 HA LYS A 110 26.735 1.751 2.488 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.472 0.038 4.219 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.943 0.406 3.436 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.136 -1.616 2.087 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.683 -1.982 2.856 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.576 -2.135 5.026 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.031 -1.743 4.271 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.238 -4.144 4.647 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.168 -3.776 2.924 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.429 -4.211 2.666 1.00 3.29 H ATOM 182 HZ2 LYS A 110 25.901 -5.443 3.698 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.748 -4.120 4.325 1.00 2.86 H ATOM 184 N GLY A 111 28.255 -0.682 1.025 1.00 1.06 N ATOM 185 CA GLY A 111 29.556 -1.277 0.783 1.00 1.46 C ATOM 186 C GLY A 111 30.341 -0.540 -0.284 1.00 1.16 C ATOM 187 O GLY A 111 31.174 -1.132 -0.972 1.00 1.82 O ATOM 188 H GLY A 111 27.504 -0.892 0.434 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.122 -1.267 1.702 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.418 -2.301 0.470 1.00 2.26 H ATOM 191 N GLY A 112 30.077 0.755 -0.424 1.00 1.66 N ATOM 192 CA GLY A 112 30.773 1.552 -1.415 1.00 2.42 C ATOM 193 C GLY A 112 29.937 1.792 -2.658 1.00 3.15 C ATOM 194 O GLY A 112 29.056 2.676 -2.620 1.00 3.63 O ATOM 195 OXT GLY A 112 30.165 1.095 -3.669 1.00 3.80 O ATOM 196 H GLY A 112 29.403 1.173 0.153 1.00 2.15 H ATOM 197 HA2 GLY A 112 31.030 2.506 -0.979 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.681 1.041 -1.699 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 7 ATOM 1 N ASP A 98 11.413 -3.178 -3.815 1.00 3.32 N ATOM 2 CA ASP A 98 11.616 -4.354 -2.929 1.00 2.31 C ATOM 3 C ASP A 98 11.668 -3.937 -1.463 1.00 2.05 C ATOM 4 O ASP A 98 10.763 -4.243 -0.687 1.00 2.68 O ATOM 5 CB ASP A 98 12.921 -5.045 -3.328 1.00 2.50 C ATOM 6 CG ASP A 98 12.903 -5.528 -4.765 1.00 3.15 C ATOM 7 OD1 ASP A 98 12.031 -6.356 -5.103 1.00 3.59 O ATOM 8 OD2 ASP A 98 13.762 -5.079 -5.553 1.00 3.81 O ATOM 9 H1 ASP A 98 11.088 -3.529 -4.738 1.00 3.66 H ATOM 10 H2 ASP A 98 12.327 -2.686 -3.901 1.00 3.69 H ATOM 11 H3 ASP A 98 10.698 -2.567 -3.373 1.00 3.70 H ATOM 12 HA ASP A 98 10.792 -5.038 -3.071 1.00 2.14 H ATOM 13 HB2 ASP A 98 13.739 -4.351 -3.211 1.00 2.65 H ATOM 14 HB3 ASP A 98 13.081 -5.897 -2.683 1.00 2.83 H ATOM 15 N ARG A 99 12.734 -3.236 -1.090 1.00 1.42 N ATOM 16 CA ARG A 99 12.903 -2.776 0.283 1.00 1.29 C ATOM 17 C ARG A 99 12.755 -1.260 0.375 1.00 0.77 C ATOM 18 O ARG A 99 11.661 -0.746 0.611 1.00 0.82 O ATOM 19 CB ARG A 99 14.268 -3.222 0.826 1.00 1.56 C ATOM 20 CG ARG A 99 14.576 -2.729 2.236 1.00 1.98 C ATOM 21 CD ARG A 99 13.584 -3.267 3.258 1.00 2.97 C ATOM 22 NE ARG A 99 12.238 -2.732 3.065 1.00 2.80 N ATOM 23 CZ ARG A 99 11.918 -1.449 3.225 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.831 -0.574 3.627 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.677 -1.043 2.995 1.00 3.12 N ATOM 26 H ARG A 99 13.423 -3.023 -1.754 1.00 1.41 H ATOM 27 HA ARG A 99 12.132 -3.228 0.875 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.298 -4.302 0.836 1.00 1.81 H ATOM 29 HB3 ARG A 99 15.040 -2.860 0.165 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.567 -3.055 2.510 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.539 -1.650 2.242 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.546 -4.344 3.170 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.929 -2.999 4.248 1.00 3.45 H ATOM 34 HE ARG A 99 11.537 -3.359 2.787 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.766 -0.875 3.814 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.583 0.388 3.744 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.983 -1.700 2.701 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.436 -0.080 3.116 1.00 3.62 H ATOM 39 N GLY A 100 13.859 -0.551 0.192 1.00 0.77 N ATOM 40 CA GLY A 100 13.834 0.900 0.262 1.00 1.22 C ATOM 41 C GLY A 100 14.878 1.437 1.218 1.00 1.13 C ATOM 42 O GLY A 100 14.561 2.172 2.153 1.00 1.40 O ATOM 43 H GLY A 100 14.699 -1.018 0.011 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.019 1.302 -0.723 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.857 1.218 0.595 1.00 1.68 H ATOM 46 N TRP A 101 16.126 1.050 0.988 1.00 0.82 N ATOM 47 CA TRP A 101 17.234 1.471 1.833 1.00 0.75 C ATOM 48 C TRP A 101 17.489 2.972 1.722 1.00 0.98 C ATOM 49 O TRP A 101 16.832 3.768 2.395 1.00 1.30 O ATOM 50 CB TRP A 101 18.485 0.676 1.464 1.00 0.53 C ATOM 51 CG TRP A 101 18.267 -0.789 1.511 1.00 0.67 C ATOM 52 CD1 TRP A 101 18.005 -1.555 2.598 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.260 -1.652 0.394 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.851 -2.868 2.218 1.00 1.20 N ATOM 55 CE2 TRP A 101 18.003 -2.947 0.858 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.455 -1.439 -0.958 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.934 -4.037 -0.001 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.390 -2.512 -1.818 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.131 -3.801 -1.339 1.00 1.53 C ATOM 60 H TRP A 101 16.305 0.451 0.232 1.00 0.74 H ATOM 61 HA TRP A 101 16.976 1.245 2.855 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.783 0.921 0.458 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.283 0.922 2.147 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.943 -1.173 3.599 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.661 -3.619 2.819 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.657 -0.449 -1.331 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.731 -5.032 0.359 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.541 -2.362 -2.875 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.093 -4.615 -2.045 1.00 1.82 H ATOM 70 N GLY A 102 18.468 3.359 0.908 1.00 1.01 N ATOM 71 CA GLY A 102 18.810 4.761 0.776 1.00 1.40 C ATOM 72 C GLY A 102 19.787 5.159 1.858 1.00 1.46 C ATOM 73 O GLY A 102 20.708 5.944 1.634 1.00 1.92 O ATOM 74 H GLY A 102 18.983 2.686 0.420 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.259 4.930 -0.193 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.916 5.359 0.867 1.00 1.61 H ATOM 77 N ASN A 103 19.588 4.571 3.034 1.00 1.23 N ATOM 78 CA ASN A 103 20.444 4.798 4.183 1.00 1.39 C ATOM 79 C ASN A 103 21.835 4.200 3.971 1.00 1.23 C ATOM 80 O ASN A 103 22.726 4.374 4.803 1.00 1.44 O ATOM 81 CB ASN A 103 19.801 4.189 5.437 1.00 1.49 C ATOM 82 CG ASN A 103 19.441 2.702 5.313 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.943 2.111 6.270 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.675 2.079 4.148 1.00 0.95 N ATOM 85 H ASN A 103 18.845 3.945 3.126 1.00 1.19 H ATOM 86 HA ASN A 103 20.539 5.864 4.322 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.485 4.297 6.263 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.896 4.737 5.660 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.070 2.582 3.415 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.431 1.129 4.076 1.00 0.89 H ATOM 91 N GLY A 104 22.015 3.489 2.861 1.00 0.91 N ATOM 92 CA GLY A 104 23.293 2.876 2.573 1.00 0.80 C ATOM 93 C GLY A 104 23.713 1.894 3.646 1.00 0.86 C ATOM 94 O GLY A 104 24.894 1.783 3.973 1.00 1.08 O ATOM 95 H GLY A 104 21.275 3.375 2.233 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.217 2.352 1.632 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.042 3.648 2.490 1.00 1.02 H ATOM 98 N CYS A 105 22.738 1.177 4.189 1.00 0.85 N ATOM 99 CA CYS A 105 22.996 0.190 5.228 1.00 1.18 C ATOM 100 C CYS A 105 22.846 -1.218 4.667 1.00 1.14 C ATOM 101 O CYS A 105 23.494 -2.156 5.131 1.00 1.47 O ATOM 102 CB CYS A 105 22.039 0.392 6.403 1.00 1.47 C ATOM 103 SG CYS A 105 22.276 -0.783 7.758 1.00 2.45 S ATOM 104 H CYS A 105 21.820 1.309 3.878 1.00 0.74 H ATOM 105 HA CYS A 105 24.012 0.324 5.570 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.177 1.385 6.804 1.00 1.53 H ATOM 107 HB3 CYS A 105 21.023 0.289 6.052 1.00 1.91 H ATOM 108 HG CYS A 105 22.227 -1.669 7.394 1.00 2.81 H ATOM 109 N GLY A 106 21.990 -1.357 3.657 1.00 0.89 N ATOM 110 CA GLY A 106 21.777 -2.653 3.044 1.00 1.13 C ATOM 111 C GLY A 106 22.183 -2.669 1.584 1.00 1.06 C ATOM 112 O GLY A 106 22.492 -3.725 1.032 1.00 1.42 O ATOM 113 H GLY A 106 21.502 -0.572 3.322 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.359 -3.391 3.577 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.732 -2.910 3.120 1.00 1.23 H ATOM 116 N LEU A 107 22.185 -1.494 0.962 1.00 0.76 N ATOM 117 CA LEU A 107 22.558 -1.360 -0.441 1.00 0.98 C ATOM 118 C LEU A 107 22.380 0.084 -0.904 1.00 0.95 C ATOM 119 O LEU A 107 21.570 0.826 -0.349 1.00 0.88 O ATOM 120 CB LEU A 107 21.726 -2.317 -1.304 1.00 1.54 C ATOM 121 CG LEU A 107 21.933 -2.201 -2.815 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.393 -2.431 -3.180 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.038 -3.190 -3.551 1.00 2.51 C ATOM 124 H LEU A 107 21.931 -0.691 1.462 1.00 0.55 H ATOM 125 HA LEU A 107 23.599 -1.623 -0.526 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.965 -3.328 -1.011 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.687 -2.140 -1.092 1.00 2.34 H ATOM 128 HG LEU A 107 21.658 -1.207 -3.132 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.702 -1.694 -3.906 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.509 -3.420 -3.597 1.00 2.76 H ATOM 131 HD13 LEU A 107 24.004 -2.341 -2.294 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.354 -3.648 -2.851 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.646 -3.954 -4.012 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.476 -2.670 -4.312 1.00 3.04 H ATOM 135 N PHE A 108 23.152 0.477 -1.916 1.00 1.24 N ATOM 136 CA PHE A 108 23.098 1.837 -2.454 1.00 1.54 C ATOM 137 C PHE A 108 23.737 2.834 -1.494 1.00 1.42 C ATOM 138 O PHE A 108 23.279 3.969 -1.370 1.00 1.71 O ATOM 139 CB PHE A 108 21.656 2.252 -2.747 1.00 1.83 C ATOM 140 CG PHE A 108 20.945 1.317 -3.655 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.436 1.056 -4.920 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.781 0.704 -3.241 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.773 0.192 -5.759 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.113 -0.161 -4.076 1.00 2.91 C ATOM 145 CZ PHE A 108 19.611 -0.415 -5.334 1.00 2.92 C ATOM 146 H PHE A 108 23.781 -0.162 -2.307 1.00 1.34 H ATOM 147 HA PHE A 108 23.655 1.844 -3.378 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.100 2.296 -1.828 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.653 3.224 -3.212 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.347 1.534 -5.247 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.397 0.909 -2.253 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.160 -0.008 -6.747 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.202 -0.637 -3.746 1.00 3.46 H ATOM 154 HZ PHE A 108 19.096 -1.085 -5.982 1.00 3.26 H ATOM 155 N GLY A 109 24.801 2.407 -0.819 1.00 1.13 N ATOM 156 CA GLY A 109 25.479 3.286 0.116 1.00 1.27 C ATOM 157 C GLY A 109 26.413 2.548 1.056 1.00 1.05 C ATOM 158 O GLY A 109 27.477 3.059 1.406 1.00 1.35 O ATOM 159 H GLY A 109 25.128 1.493 -0.957 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.053 4.009 -0.444 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.738 3.810 0.699 1.00 1.43 H ATOM 162 N LYS A 110 26.019 1.347 1.473 1.00 0.71 N ATOM 163 CA LYS A 110 26.840 0.553 2.384 1.00 0.90 C ATOM 164 C LYS A 110 28.243 0.345 1.823 1.00 1.16 C ATOM 165 O LYS A 110 29.191 0.103 2.569 1.00 1.61 O ATOM 166 CB LYS A 110 26.188 -0.801 2.662 1.00 0.83 C ATOM 167 CG LYS A 110 26.000 -1.657 1.422 1.00 1.34 C ATOM 168 CD LYS A 110 25.413 -3.014 1.775 1.00 1.95 C ATOM 169 CE LYS A 110 25.185 -3.865 0.535 1.00 2.22 C ATOM 170 NZ LYS A 110 26.452 -4.121 -0.207 1.00 2.84 N ATOM 171 H LYS A 110 25.161 0.989 1.165 1.00 0.55 H ATOM 172 HA LYS A 110 26.918 1.097 3.310 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.804 -1.347 3.360 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.218 -0.636 3.107 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.332 -1.151 0.743 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.960 -1.803 0.947 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.097 -3.529 2.432 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.470 -2.865 2.280 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.759 -4.810 0.837 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.494 -3.351 -0.116 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.392 -3.719 -1.165 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.620 -5.144 -0.284 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.254 -3.685 0.291 1.00 2.86 H ATOM 184 N GLY A 111 28.366 0.440 0.505 1.00 1.06 N ATOM 185 CA GLY A 111 29.656 0.260 -0.136 1.00 1.46 C ATOM 186 C GLY A 111 29.527 -0.166 -1.585 1.00 1.16 C ATOM 187 O GLY A 111 29.487 0.673 -2.486 1.00 1.82 O ATOM 188 H GLY A 111 27.575 0.635 -0.037 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.200 1.191 -0.094 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.210 -0.495 0.402 1.00 2.26 H ATOM 191 N GLY A 112 29.463 -1.474 -1.812 1.00 1.66 N ATOM 192 CA GLY A 112 29.339 -1.988 -3.163 1.00 2.42 C ATOM 193 C GLY A 112 27.895 -2.100 -3.611 1.00 3.15 C ATOM 194 O GLY A 112 27.503 -3.186 -4.087 1.00 3.63 O ATOM 195 OXT GLY A 112 27.155 -1.101 -3.486 1.00 3.80 O ATOM 196 H GLY A 112 29.499 -2.096 -1.056 1.00 2.15 H ATOM 197 HA2 GLY A 112 29.863 -1.326 -3.838 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.795 -2.966 -3.209 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 8 ATOM 1 N ASP A 98 12.078 -3.578 -3.481 1.00 3.32 N ATOM 2 CA ASP A 98 11.027 -4.049 -2.541 1.00 2.31 C ATOM 3 C ASP A 98 11.185 -3.404 -1.168 1.00 2.05 C ATOM 4 O ASP A 98 10.234 -2.852 -0.617 1.00 2.68 O ATOM 5 CB ASP A 98 11.125 -5.571 -2.423 1.00 2.50 C ATOM 6 CG ASP A 98 10.926 -6.268 -3.754 1.00 3.15 C ATOM 7 OD1 ASP A 98 9.844 -6.102 -4.356 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.852 -6.981 -4.196 1.00 3.81 O ATOM 9 H1 ASP A 98 11.759 -3.794 -4.446 1.00 3.66 H ATOM 10 H2 ASP A 98 12.957 -4.086 -3.252 1.00 3.69 H ATOM 11 H3 ASP A 98 12.189 -2.554 -3.345 1.00 3.70 H ATOM 12 HA ASP A 98 10.060 -3.786 -2.944 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.100 -5.835 -2.043 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.368 -5.923 -1.737 1.00 2.83 H ATOM 15 N ARG A 99 12.395 -3.477 -0.622 1.00 1.42 N ATOM 16 CA ARG A 99 12.680 -2.899 0.685 1.00 1.29 C ATOM 17 C ARG A 99 12.581 -1.377 0.645 1.00 0.77 C ATOM 18 O ARG A 99 11.521 -0.807 0.902 1.00 0.82 O ATOM 19 CB ARG A 99 14.066 -3.343 1.170 1.00 1.56 C ATOM 20 CG ARG A 99 14.493 -2.733 2.500 1.00 1.98 C ATOM 21 CD ARG A 99 13.558 -3.130 3.636 1.00 2.97 C ATOM 22 NE ARG A 99 12.223 -2.554 3.487 1.00 2.80 N ATOM 23 CZ ARG A 99 11.966 -1.250 3.550 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.940 -0.383 3.805 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.728 -0.810 3.371 1.00 3.12 N ATOM 26 H ARG A 99 13.113 -3.929 -1.111 1.00 1.41 H ATOM 27 HA ARG A 99 11.940 -3.268 1.370 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.064 -4.417 1.280 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.798 -3.073 0.424 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.489 -3.073 2.736 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.494 -1.657 2.406 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.472 -4.208 3.652 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.985 -2.788 4.570 1.00 3.45 H ATOM 34 HE ARG A 99 11.481 -3.171 3.319 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.873 -0.708 3.953 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.739 0.595 3.848 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.988 -1.458 3.189 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.534 0.170 3.418 1.00 3.62 H ATOM 39 N GLY A 100 13.690 -0.725 0.326 1.00 0.77 N ATOM 40 CA GLY A 100 13.709 0.725 0.263 1.00 1.22 C ATOM 41 C GLY A 100 14.757 1.316 1.184 1.00 1.13 C ATOM 42 O GLY A 100 14.435 2.062 2.110 1.00 1.40 O ATOM 43 H GLY A 100 14.503 -1.235 0.135 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.921 1.030 -0.751 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.738 1.103 0.549 1.00 1.68 H ATOM 46 N TRP A 101 16.011 0.963 0.936 1.00 0.82 N ATOM 47 CA TRP A 101 17.122 1.439 1.748 1.00 0.75 C ATOM 48 C TRP A 101 17.358 2.936 1.561 1.00 0.98 C ATOM 49 O TRP A 101 16.686 3.755 2.188 1.00 1.30 O ATOM 50 CB TRP A 101 18.378 0.640 1.408 1.00 0.53 C ATOM 51 CG TRP A 101 18.172 -0.824 1.519 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.903 -1.543 2.637 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.186 -1.737 0.442 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.764 -2.872 2.314 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.934 -3.012 0.960 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.398 -1.583 -0.916 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.885 -4.140 0.151 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.352 -2.695 -1.726 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.097 -3.964 -1.193 1.00 1.53 C ATOM 60 H TRP A 101 16.195 0.355 0.190 1.00 0.74 H ATOM 61 HA TRP A 101 16.876 1.261 2.782 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.670 0.843 0.392 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.176 0.921 2.078 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.826 -1.117 3.617 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.574 -3.597 2.945 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.595 -0.609 -1.331 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.686 -5.118 0.553 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.515 -2.591 -2.788 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.075 -4.808 -1.863 1.00 1.82 H ATOM 70 N GLY A 102 18.337 3.294 0.734 1.00 1.01 N ATOM 71 CA GLY A 102 18.658 4.693 0.533 1.00 1.40 C ATOM 72 C GLY A 102 19.636 5.156 1.589 1.00 1.46 C ATOM 73 O GLY A 102 20.536 5.954 1.324 1.00 1.92 O ATOM 74 H GLY A 102 18.866 2.606 0.284 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.100 4.821 -0.445 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.758 5.283 0.601 1.00 1.61 H ATOM 77 N ASN A 103 19.461 4.611 2.788 1.00 1.23 N ATOM 78 CA ASN A 103 20.321 4.903 3.921 1.00 1.39 C ATOM 79 C ASN A 103 21.715 4.307 3.733 1.00 1.23 C ATOM 80 O ASN A 103 22.603 4.515 4.561 1.00 1.44 O ATOM 81 CB ASN A 103 19.688 4.346 5.202 1.00 1.49 C ATOM 82 CG ASN A 103 19.358 2.847 5.151 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.871 2.293 6.136 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.605 2.174 4.018 1.00 0.95 N ATOM 85 H ASN A 103 18.734 3.973 2.911 1.00 1.19 H ATOM 86 HA ASN A 103 20.405 5.975 4.009 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.370 4.507 6.024 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.772 4.885 5.399 1.00 1.65 H ATOM 89 HD21 ASN A 103 19.988 2.649 3.261 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.381 1.217 3.991 1.00 0.89 H ATOM 91 N GLY A 104 21.900 3.554 2.651 1.00 0.91 N ATOM 92 CA GLY A 104 23.179 2.934 2.392 1.00 0.80 C ATOM 93 C GLY A 104 23.603 2.011 3.515 1.00 0.86 C ATOM 94 O GLY A 104 24.771 1.984 3.901 1.00 1.08 O ATOM 95 H GLY A 104 21.160 3.410 2.029 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.103 2.361 1.479 1.00 0.62 H ATOM 97 HA3 GLY A 104 23.924 3.703 2.266 1.00 1.02 H ATOM 98 N CYS A 105 22.646 1.254 4.034 1.00 0.85 N ATOM 99 CA CYS A 105 22.908 0.317 5.116 1.00 1.18 C ATOM 100 C CYS A 105 22.791 -1.115 4.612 1.00 1.14 C ATOM 101 O CYS A 105 23.480 -2.014 5.096 1.00 1.47 O ATOM 102 CB CYS A 105 21.934 0.548 6.271 1.00 1.47 C ATOM 103 SG CYS A 105 22.176 -0.563 7.677 1.00 2.45 S ATOM 104 H CYS A 105 21.738 1.323 3.676 1.00 0.74 H ATOM 105 HA CYS A 105 23.917 0.483 5.465 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.046 1.560 6.632 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.923 0.411 5.913 1.00 1.91 H ATOM 108 HG CYS A 105 23.117 -0.615 7.856 1.00 2.81 H ATOM 109 N GLY A 106 21.919 -1.318 3.628 1.00 0.89 N ATOM 110 CA GLY A 106 21.736 -2.641 3.066 1.00 1.13 C ATOM 111 C GLY A 106 22.145 -2.700 1.608 1.00 1.06 C ATOM 112 O GLY A 106 22.477 -3.766 1.093 1.00 1.42 O ATOM 113 H GLY A 106 21.402 -0.560 3.275 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.333 -3.345 3.626 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.695 -2.916 3.149 1.00 1.23 H ATOM 116 N LEU A 107 22.127 -1.544 0.950 1.00 0.76 N ATOM 117 CA LEU A 107 22.502 -1.446 -0.455 1.00 0.98 C ATOM 118 C LEU A 107 22.296 -0.022 -0.964 1.00 0.95 C ATOM 119 O LEU A 107 21.435 0.704 -0.467 1.00 0.88 O ATOM 120 CB LEU A 107 21.695 -2.448 -1.291 1.00 1.54 C ATOM 121 CG LEU A 107 21.888 -2.359 -2.806 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.354 -2.529 -3.175 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.039 -3.408 -3.510 1.00 2.51 C ATOM 124 H LEU A 107 21.858 -0.730 1.423 1.00 0.55 H ATOM 125 HA LEU A 107 23.549 -1.688 -0.529 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.969 -3.445 -0.977 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.653 -2.299 -1.075 1.00 2.34 H ATOM 128 HG LEU A 107 21.564 -1.388 -3.145 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.546 -3.563 -3.421 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.973 -2.238 -2.339 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.586 -1.907 -4.027 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.296 -3.791 -2.826 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.671 -4.219 -3.844 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.548 -2.961 -4.361 1.00 3.04 H ATOM 135 N PHE A 108 23.099 0.373 -1.950 1.00 1.24 N ATOM 136 CA PHE A 108 23.023 1.715 -2.528 1.00 1.54 C ATOM 137 C PHE A 108 23.600 2.757 -1.574 1.00 1.42 C ATOM 138 O PHE A 108 23.005 3.814 -1.359 1.00 1.71 O ATOM 139 CB PHE A 108 21.580 2.076 -2.880 1.00 1.83 C ATOM 140 CG PHE A 108 20.931 1.092 -3.783 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.460 0.829 -5.031 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.789 0.432 -3.380 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.856 -0.081 -5.866 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.180 -0.478 -4.208 1.00 2.91 C ATOM 145 CZ PHE A 108 19.715 -0.734 -5.452 1.00 2.92 C ATOM 146 H PHE A 108 23.768 -0.253 -2.295 1.00 1.34 H ATOM 147 HA PHE A 108 23.611 1.715 -3.433 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.991 2.128 -1.981 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.563 3.033 -3.375 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.354 1.342 -5.350 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.376 0.638 -2.402 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.272 -0.284 -6.842 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.285 -0.991 -3.888 1.00 3.46 H ATOM 154 HZ PHE A 108 19.245 -1.439 -6.096 1.00 3.26 H ATOM 155 N GLY A 109 24.765 2.457 -1.005 1.00 1.13 N ATOM 156 CA GLY A 109 25.397 3.385 -0.086 1.00 1.27 C ATOM 157 C GLY A 109 26.303 2.700 0.918 1.00 1.05 C ATOM 158 O GLY A 109 27.309 3.270 1.342 1.00 1.35 O ATOM 159 H GLY A 109 25.197 1.603 -1.213 1.00 0.96 H ATOM 160 HA2 GLY A 109 25.982 4.093 -0.655 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.627 3.922 0.449 1.00 1.43 H ATOM 162 N LYS A 110 25.949 1.477 1.305 1.00 0.71 N ATOM 163 CA LYS A 110 26.745 0.725 2.271 1.00 0.90 C ATOM 164 C LYS A 110 28.185 0.568 1.796 1.00 1.16 C ATOM 165 O LYS A 110 29.100 0.389 2.600 1.00 1.61 O ATOM 166 CB LYS A 110 26.131 -0.652 2.518 1.00 0.83 C ATOM 167 CG LYS A 110 26.058 -1.519 1.274 1.00 1.34 C ATOM 168 CD LYS A 110 25.495 -2.892 1.592 1.00 1.95 C ATOM 169 CE LYS A 110 25.389 -3.758 0.347 1.00 2.22 C ATOM 170 NZ LYS A 110 26.716 -3.970 -0.296 1.00 2.84 N ATOM 171 H LYS A 110 25.136 1.074 0.936 1.00 0.55 H ATOM 172 HA LYS A 110 26.746 1.276 3.194 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.724 -1.171 3.256 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.129 -0.523 2.899 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.422 -1.038 0.546 1.00 1.77 H ATOM 176 HG3 LYS A 110 27.053 -1.634 0.866 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.145 -3.380 2.303 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.512 -2.773 2.024 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.976 -4.716 0.624 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.731 -3.273 -0.358 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.016 -3.105 -0.788 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.659 -4.746 -0.985 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.427 -4.212 0.424 1.00 2.86 H ATOM 184 N GLY A 111 28.378 0.633 0.485 1.00 1.06 N ATOM 185 CA GLY A 111 29.708 0.495 -0.076 1.00 1.46 C ATOM 186 C GLY A 111 29.695 -0.154 -1.446 1.00 1.16 C ATOM 187 O GLY A 111 28.975 0.286 -2.343 1.00 1.82 O ATOM 188 H GLY A 111 27.610 0.776 -0.105 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.156 1.474 -0.158 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.305 -0.109 0.590 1.00 2.26 H ATOM 191 N GLY A 112 30.493 -1.204 -1.609 1.00 1.66 N ATOM 192 CA GLY A 112 30.555 -1.898 -2.881 1.00 2.42 C ATOM 193 C GLY A 112 29.777 -3.199 -2.871 1.00 3.15 C ATOM 194 O GLY A 112 28.679 -3.230 -2.275 1.00 3.63 O ATOM 195 OXT GLY A 112 30.265 -4.188 -3.458 1.00 3.80 O ATOM 196 H GLY A 112 31.044 -1.510 -0.859 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.151 -1.256 -3.650 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.588 -2.112 -3.113 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 9 ATOM 1 N ASP A 98 9.359 -5.436 1.097 1.00 3.32 N ATOM 2 CA ASP A 98 10.727 -4.886 0.908 1.00 2.31 C ATOM 3 C ASP A 98 10.868 -3.519 1.573 1.00 2.05 C ATOM 4 O ASP A 98 9.875 -2.838 1.828 1.00 2.68 O ATOM 5 CB ASP A 98 11.005 -4.775 -0.591 1.00 2.50 C ATOM 6 CG ASP A 98 10.929 -6.115 -1.294 1.00 3.15 C ATOM 7 OD1 ASP A 98 11.707 -7.022 -0.929 1.00 3.59 O ATOM 8 OD2 ASP A 98 10.091 -6.259 -2.209 1.00 3.81 O ATOM 9 H1 ASP A 98 8.689 -4.782 0.647 1.00 3.66 H ATOM 10 H2 ASP A 98 9.186 -5.510 2.120 1.00 3.69 H ATOM 11 H3 ASP A 98 9.329 -6.372 0.642 1.00 3.70 H ATOM 12 HA ASP A 98 11.436 -5.568 1.352 1.00 2.14 H ATOM 13 HB2 ASP A 98 10.278 -4.113 -1.039 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.995 -4.367 -0.738 1.00 2.83 H ATOM 15 N ARG A 99 12.107 -3.127 1.848 1.00 1.42 N ATOM 16 CA ARG A 99 12.379 -1.843 2.482 1.00 1.29 C ATOM 17 C ARG A 99 12.400 -0.717 1.452 1.00 0.77 C ATOM 18 O ARG A 99 11.377 -0.087 1.185 1.00 0.82 O ATOM 19 CB ARG A 99 13.704 -1.902 3.252 1.00 1.56 C ATOM 20 CG ARG A 99 14.122 -0.583 3.889 1.00 1.98 C ATOM 21 CD ARG A 99 13.118 -0.109 4.932 1.00 2.97 C ATOM 22 NE ARG A 99 11.833 0.261 4.343 1.00 2.80 N ATOM 23 CZ ARG A 99 11.664 1.288 3.514 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.683 2.082 3.210 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.467 1.532 2.998 1.00 3.12 N ATOM 26 H ARG A 99 12.857 -3.715 1.620 1.00 1.41 H ATOM 27 HA ARG A 99 11.584 -1.650 3.177 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.613 -2.638 4.038 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.486 -2.214 2.575 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.082 -0.714 4.366 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.205 0.166 3.115 1.00 1.97 H ATOM 32 HD2 ARG A 99 12.958 -0.907 5.644 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.530 0.752 5.441 1.00 3.45 H ATOM 34 HE ARG A 99 11.058 -0.295 4.566 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.586 1.914 3.605 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.548 2.851 2.585 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.694 0.943 3.230 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.339 2.303 2.375 1.00 3.62 H ATOM 39 N GLY A 100 13.570 -0.464 0.883 1.00 0.77 N ATOM 40 CA GLY A 100 13.705 0.591 -0.105 1.00 1.22 C ATOM 41 C GLY A 100 14.798 1.572 0.264 1.00 1.13 C ATOM 42 O GLY A 100 14.556 2.773 0.384 1.00 1.40 O ATOM 43 H GLY A 100 14.349 -0.996 1.142 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.938 0.149 -1.063 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.768 1.124 -0.182 1.00 1.68 H ATOM 46 N TRP A 101 16.000 1.048 0.460 1.00 0.82 N ATOM 47 CA TRP A 101 17.147 1.861 0.838 1.00 0.75 C ATOM 48 C TRP A 101 17.533 2.839 -0.268 1.00 0.98 C ATOM 49 O TRP A 101 16.963 3.926 -0.369 1.00 1.30 O ATOM 50 CB TRP A 101 18.319 0.951 1.196 1.00 0.53 C ATOM 51 CG TRP A 101 17.970 -0.041 2.242 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.659 0.194 3.540 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.864 -1.435 2.045 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.380 -0.991 4.177 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.499 -2.012 3.267 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.053 -2.244 0.940 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.315 -3.381 3.412 1.00 1.48 C ATOM 58 CZ3 TRP A 101 17.875 -3.604 1.072 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.507 -4.163 2.301 1.00 1.53 C ATOM 60 H TRP A 101 16.118 0.080 0.360 1.00 0.74 H ATOM 61 HA TRP A 101 16.877 2.429 1.713 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.627 0.399 0.323 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.142 1.547 1.557 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.651 1.170 3.984 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.134 -1.090 5.119 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.337 -1.818 -0.008 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.029 -3.819 4.351 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.019 -4.247 0.219 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.383 -5.233 2.361 1.00 1.82 H ATOM 70 N GLY A 102 18.528 2.473 -1.073 1.00 1.01 N ATOM 71 CA GLY A 102 18.990 3.359 -2.124 1.00 1.40 C ATOM 72 C GLY A 102 20.026 4.314 -1.578 1.00 1.46 C ATOM 73 O GLY A 102 21.004 4.650 -2.248 1.00 1.92 O ATOM 74 H GLY A 102 18.970 1.612 -0.933 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.426 2.771 -2.920 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.155 3.923 -2.510 1.00 1.61 H ATOM 77 N ASN A 103 19.810 4.720 -0.332 1.00 1.23 N ATOM 78 CA ASN A 103 20.711 5.611 0.376 1.00 1.39 C ATOM 79 C ASN A 103 22.030 4.917 0.720 1.00 1.23 C ATOM 80 O ASN A 103 22.941 5.539 1.267 1.00 1.44 O ATOM 81 CB ASN A 103 20.039 6.104 1.663 1.00 1.49 C ATOM 82 CG ASN A 103 19.554 4.985 2.594 1.00 1.26 C ATOM 83 OD1 ASN A 103 19.023 5.270 3.668 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.718 3.710 2.210 1.00 0.95 N ATOM 85 H ASN A 103 19.021 4.392 0.137 1.00 1.19 H ATOM 86 HA ASN A 103 20.915 6.457 -0.262 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.743 6.712 2.210 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.187 6.713 1.395 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.140 3.527 1.352 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.394 3.002 2.808 1.00 0.89 H ATOM 91 N GLY A 104 22.121 3.625 0.412 1.00 0.91 N ATOM 92 CA GLY A 104 23.320 2.877 0.713 1.00 0.80 C ATOM 93 C GLY A 104 23.646 2.900 2.192 1.00 0.86 C ATOM 94 O GLY A 104 24.801 3.069 2.582 1.00 1.08 O ATOM 95 H GLY A 104 21.364 3.173 -0.010 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.170 1.852 0.404 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.146 3.297 0.163 1.00 1.02 H ATOM 98 N CYS A 105 22.617 2.727 3.013 1.00 0.85 N ATOM 99 CA CYS A 105 22.779 2.723 4.459 1.00 1.18 C ATOM 100 C CYS A 105 22.505 1.332 5.015 1.00 1.14 C ATOM 101 O CYS A 105 23.100 0.922 6.012 1.00 1.47 O ATOM 102 CB CYS A 105 21.837 3.741 5.105 1.00 1.47 C ATOM 103 SG CYS A 105 21.957 3.821 6.907 1.00 2.45 S ATOM 104 H CYS A 105 21.725 2.594 2.634 1.00 0.74 H ATOM 105 HA CYS A 105 23.801 2.995 4.682 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.062 4.724 4.718 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.818 3.486 4.853 1.00 1.91 H ATOM 108 HG CYS A 105 21.850 2.931 7.251 1.00 2.81 H ATOM 109 N GLY A 106 21.607 0.605 4.356 1.00 0.89 N ATOM 110 CA GLY A 106 21.279 -0.736 4.792 1.00 1.13 C ATOM 111 C GLY A 106 21.669 -1.776 3.763 1.00 1.06 C ATOM 112 O GLY A 106 21.890 -2.939 4.099 1.00 1.42 O ATOM 113 H GLY A 106 21.168 0.981 3.558 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.803 -0.942 5.713 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.216 -0.798 4.969 1.00 1.23 H ATOM 116 N LEU A 107 21.761 -1.348 2.507 1.00 0.76 N ATOM 117 CA LEU A 107 22.134 -2.233 1.411 1.00 0.98 C ATOM 118 C LEU A 107 22.057 -1.495 0.077 1.00 0.95 C ATOM 119 O LEU A 107 21.267 -0.565 -0.080 1.00 0.88 O ATOM 120 CB LEU A 107 21.232 -3.474 1.402 1.00 1.54 C ATOM 121 CG LEU A 107 21.415 -4.421 0.215 1.00 1.63 C ATOM 122 CD1 LEU A 107 22.856 -4.903 0.126 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.467 -5.603 0.334 1.00 2.51 C ATOM 124 H LEU A 107 21.578 -0.407 2.310 1.00 0.55 H ATOM 125 HA LEU A 107 23.152 -2.541 1.576 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.419 -4.033 2.307 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.209 -3.144 1.413 1.00 2.34 H ATOM 128 HG LEU A 107 21.178 -3.893 -0.695 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.136 -5.009 -0.912 1.00 2.90 H ATOM 130 HD12 LEU A 107 22.948 -5.857 0.622 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.507 -4.185 0.601 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.572 -5.407 -0.239 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.204 -5.753 1.370 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.949 -6.492 -0.046 1.00 3.04 H ATOM 135 N PHE A 108 22.893 -1.908 -0.873 1.00 1.24 N ATOM 136 CA PHE A 108 22.939 -1.286 -2.196 1.00 1.54 C ATOM 137 C PHE A 108 23.603 0.087 -2.132 1.00 1.42 C ATOM 138 O PHE A 108 23.076 1.068 -2.658 1.00 1.71 O ATOM 139 CB PHE A 108 21.534 -1.157 -2.785 1.00 1.83 C ATOM 140 CG PHE A 108 20.802 -2.447 -2.853 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.300 -3.500 -3.597 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.614 -2.604 -2.171 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.618 -4.692 -3.660 1.00 2.93 C ATOM 144 CE2 PHE A 108 18.927 -3.793 -2.229 1.00 2.91 C ATOM 145 CZ PHE A 108 19.431 -4.836 -2.975 1.00 2.92 C ATOM 146 H PHE A 108 23.502 -2.651 -0.679 1.00 1.34 H ATOM 147 HA PHE A 108 23.527 -1.923 -2.838 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.950 -0.485 -2.183 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.603 -0.769 -3.788 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.230 -3.381 -4.132 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.226 -1.781 -1.587 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.011 -5.511 -4.243 1.00 3.48 H ATOM 153 HE2 PHE A 108 17.996 -3.909 -1.694 1.00 3.46 H ATOM 154 HZ PHE A 108 18.902 -5.759 -3.021 1.00 3.26 H ATOM 155 N GLY A 109 24.763 0.152 -1.487 1.00 1.13 N ATOM 156 CA GLY A 109 25.476 1.411 -1.374 1.00 1.27 C ATOM 157 C GLY A 109 26.315 1.501 -0.113 1.00 1.05 C ATOM 158 O GLY A 109 27.337 2.186 -0.090 1.00 1.35 O ATOM 159 H GLY A 109 25.139 -0.661 -1.089 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.123 1.522 -2.230 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.758 2.218 -1.373 1.00 1.43 H ATOM 162 N LYS A 110 25.883 0.812 0.939 1.00 0.71 N ATOM 163 CA LYS A 110 26.606 0.825 2.207 1.00 0.90 C ATOM 164 C LYS A 110 28.039 0.328 2.030 1.00 1.16 C ATOM 165 O LYS A 110 28.911 0.620 2.848 1.00 1.61 O ATOM 166 CB LYS A 110 25.882 -0.033 3.244 1.00 0.83 C ATOM 167 CG LYS A 110 25.746 -1.492 2.843 1.00 1.34 C ATOM 168 CD LYS A 110 25.028 -2.292 3.915 1.00 1.95 C ATOM 169 CE LYS A 110 24.870 -3.749 3.513 1.00 2.22 C ATOM 170 NZ LYS A 110 26.185 -4.408 3.286 1.00 2.84 N ATOM 171 H LYS A 110 25.060 0.285 0.862 1.00 0.55 H ATOM 172 HA LYS A 110 26.635 1.842 2.558 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.428 0.012 4.175 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.892 0.369 3.398 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.183 -1.552 1.924 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.731 -1.908 2.693 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.598 -2.240 4.830 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.050 -1.860 4.074 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.347 -4.271 4.300 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.289 -3.798 2.604 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.746 -4.399 4.161 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.713 -3.907 2.544 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.043 -5.395 2.988 1.00 2.86 H ATOM 184 N GLY A 111 28.272 -0.421 0.960 1.00 1.06 N ATOM 185 CA GLY A 111 29.600 -0.946 0.697 1.00 1.46 C ATOM 186 C GLY A 111 30.534 0.102 0.123 1.00 1.16 C ATOM 187 O GLY A 111 31.152 0.866 0.864 1.00 1.82 O ATOM 188 H GLY A 111 27.539 -0.621 0.344 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.018 -1.316 1.622 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.521 -1.764 -0.002 1.00 2.26 H ATOM 191 N GLY A 112 30.639 0.136 -1.202 1.00 1.66 N ATOM 192 CA GLY A 112 31.507 1.099 -1.853 1.00 2.42 C ATOM 193 C GLY A 112 32.892 0.544 -2.121 1.00 3.15 C ATOM 194 O GLY A 112 33.352 -0.309 -1.334 1.00 3.63 O ATOM 195 OXT GLY A 112 33.516 0.962 -3.120 1.00 3.80 O ATOM 196 H GLY A 112 30.123 -0.499 -1.741 1.00 2.15 H ATOM 197 HA2 GLY A 112 31.060 1.392 -2.792 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.596 1.971 -1.223 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 10 ATOM 1 N ASP A 98 11.099 -2.866 -4.131 1.00 3.32 N ATOM 2 CA ASP A 98 12.082 -3.899 -3.709 1.00 2.31 C ATOM 3 C ASP A 98 12.255 -3.909 -2.194 1.00 2.05 C ATOM 4 O ASP A 98 11.991 -4.915 -1.535 1.00 2.68 O ATOM 5 CB ASP A 98 13.419 -3.607 -4.392 1.00 2.50 C ATOM 6 CG ASP A 98 13.314 -3.633 -5.904 1.00 3.15 C ATOM 7 OD1 ASP A 98 12.943 -4.690 -6.455 1.00 3.59 O ATOM 8 OD2 ASP A 98 13.604 -2.596 -6.537 1.00 3.81 O ATOM 9 H1 ASP A 98 11.013 -2.915 -5.165 1.00 3.66 H ATOM 10 H2 ASP A 98 11.464 -1.941 -3.826 1.00 3.69 H ATOM 11 H3 ASP A 98 10.193 -3.084 -3.670 1.00 3.70 H ATOM 12 HA ASP A 98 11.723 -4.866 -4.029 1.00 2.14 H ATOM 13 HB2 ASP A 98 13.764 -2.628 -4.090 1.00 2.65 H ATOM 14 HB3 ASP A 98 14.142 -4.348 -4.085 1.00 2.83 H ATOM 15 N ARG A 99 12.700 -2.782 -1.647 1.00 1.42 N ATOM 16 CA ARG A 99 12.910 -2.661 -0.210 1.00 1.29 C ATOM 17 C ARG A 99 12.706 -1.220 0.253 1.00 0.77 C ATOM 18 O ARG A 99 11.606 -0.833 0.645 1.00 0.82 O ATOM 19 CB ARG A 99 14.312 -3.159 0.164 1.00 1.56 C ATOM 20 CG ARG A 99 14.660 -3.007 1.640 1.00 1.98 C ATOM 21 CD ARG A 99 13.733 -3.823 2.531 1.00 2.97 C ATOM 22 NE ARG A 99 12.361 -3.320 2.519 1.00 2.80 N ATOM 23 CZ ARG A 99 12.001 -2.132 2.999 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.898 -1.338 3.572 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.737 -1.740 2.917 1.00 3.12 N ATOM 26 H ARG A 99 12.893 -2.016 -2.224 1.00 1.41 H ATOM 27 HA ARG A 99 12.182 -3.279 0.278 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.384 -4.206 -0.089 1.00 1.81 H ATOM 29 HB3 ARG A 99 15.042 -2.611 -0.414 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.674 -3.340 1.796 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.579 -1.964 1.911 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.731 -4.846 2.180 1.00 3.53 H ATOM 33 HD3 ARG A 99 14.110 -3.789 3.545 1.00 3.45 H ATOM 34 HE ARG A 99 11.673 -3.894 2.121 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.851 -1.631 3.648 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.620 -0.446 3.928 1.00 4.74 H ATOM 37 HH21 ARG A 99 10.055 -2.338 2.495 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.465 -0.847 3.276 1.00 3.62 H ATOM 39 N GLY A 100 13.772 -0.435 0.205 1.00 0.77 N ATOM 40 CA GLY A 100 13.696 0.952 0.627 1.00 1.22 C ATOM 41 C GLY A 100 14.778 1.296 1.630 1.00 1.13 C ATOM 42 O GLY A 100 14.494 1.796 2.719 1.00 1.40 O ATOM 43 H GLY A 100 14.620 -0.805 -0.114 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.804 1.589 -0.240 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.732 1.131 1.076 1.00 1.68 H ATOM 46 N TRP A 101 16.019 1.010 1.261 1.00 0.82 N ATOM 47 CA TRP A 101 17.161 1.266 2.125 1.00 0.75 C ATOM 48 C TRP A 101 17.365 2.762 2.361 1.00 0.98 C ATOM 49 O TRP A 101 16.725 3.348 3.233 1.00 1.30 O ATOM 50 CB TRP A 101 18.412 0.635 1.515 1.00 0.53 C ATOM 51 CG TRP A 101 18.241 -0.809 1.225 1.00 0.67 C ATOM 52 CD1 TRP A 101 18.079 -1.821 2.111 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.181 -1.383 -0.064 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.939 -3.014 1.439 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.997 -2.762 0.092 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.273 -0.847 -1.334 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.901 -3.620 -0.996 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.181 -1.688 -2.420 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.995 -3.066 -2.248 1.00 1.53 C ATOM 60 H TRP A 101 16.170 0.601 0.383 1.00 0.74 H ATOM 61 HA TRP A 101 16.972 0.795 3.075 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.640 1.121 0.581 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.242 0.747 2.195 1.00 0.53 H ATOM 64 HD1 TRP A 101 18.076 -1.691 3.176 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.817 -3.893 1.853 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.417 0.212 -1.471 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.754 -4.679 -0.874 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.250 -1.285 -3.418 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.933 -3.689 -3.126 1.00 1.82 H ATOM 70 N GLY A 102 18.285 3.368 1.614 1.00 1.01 N ATOM 71 CA GLY A 102 18.578 4.776 1.802 1.00 1.40 C ATOM 72 C GLY A 102 19.614 4.947 2.888 1.00 1.46 C ATOM 73 O GLY A 102 20.495 5.804 2.804 1.00 1.92 O ATOM 74 H GLY A 102 18.792 2.851 0.958 1.00 0.90 H ATOM 75 HA2 GLY A 102 18.955 5.188 0.875 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.675 5.295 2.086 1.00 1.61 H ATOM 77 N ASN A 103 19.512 4.089 3.897 1.00 1.23 N ATOM 78 CA ASN A 103 20.437 4.074 5.016 1.00 1.39 C ATOM 79 C ASN A 103 21.825 3.595 4.587 1.00 1.23 C ATOM 80 O ASN A 103 22.764 3.600 5.383 1.00 1.44 O ATOM 81 CB ASN A 103 19.893 3.165 6.125 1.00 1.49 C ATOM 82 CG ASN A 103 19.563 1.735 5.674 1.00 1.26 C ATOM 83 OD1 ASN A 103 19.142 0.917 6.492 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.735 1.410 4.384 1.00 0.95 N ATOM 85 H ASN A 103 18.796 3.428 3.881 1.00 1.19 H ATOM 86 HA ASN A 103 20.516 5.081 5.396 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.627 3.103 6.913 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.992 3.608 6.524 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.067 2.087 3.769 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.510 0.496 4.104 1.00 0.89 H ATOM 91 N GLY A 104 21.948 3.175 3.330 1.00 0.91 N ATOM 92 CA GLY A 104 23.216 2.694 2.831 1.00 0.80 C ATOM 93 C GLY A 104 23.729 1.506 3.618 1.00 0.86 C ATOM 94 O GLY A 104 24.930 1.374 3.851 1.00 1.08 O ATOM 95 H GLY A 104 21.171 3.185 2.737 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.091 2.401 1.799 1.00 0.62 H ATOM 97 HA3 GLY A 104 23.940 3.491 2.886 1.00 1.02 H ATOM 98 N CYS A 105 22.811 0.638 4.022 1.00 0.85 N ATOM 99 CA CYS A 105 23.160 -0.553 4.781 1.00 1.18 C ATOM 100 C CYS A 105 23.015 -1.794 3.910 1.00 1.14 C ATOM 101 O CYS A 105 23.728 -2.781 4.093 1.00 1.47 O ATOM 102 CB CYS A 105 22.273 -0.675 6.022 1.00 1.47 C ATOM 103 SG CYS A 105 22.629 -2.122 7.046 1.00 2.45 S ATOM 104 H CYS A 105 21.872 0.800 3.797 1.00 0.74 H ATOM 105 HA CYS A 105 24.190 -0.461 5.090 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.405 0.202 6.637 1.00 1.53 H ATOM 107 HB3 CYS A 105 21.240 -0.738 5.711 1.00 1.91 H ATOM 108 HG CYS A 105 22.184 -2.006 7.887 1.00 2.81 H ATOM 109 N GLY A 106 22.091 -1.732 2.956 1.00 0.89 N ATOM 110 CA GLY A 106 21.875 -2.854 2.063 1.00 1.13 C ATOM 111 C GLY A 106 22.187 -2.506 0.623 1.00 1.06 C ATOM 112 O GLY A 106 22.489 -3.386 -0.184 1.00 1.42 O ATOM 113 H GLY A 106 21.554 -0.914 2.851 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.510 -3.672 2.371 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.843 -3.164 2.134 1.00 1.23 H ATOM 116 N LEU A 107 22.120 -1.217 0.303 1.00 0.76 N ATOM 117 CA LEU A 107 22.399 -0.737 -1.045 1.00 0.98 C ATOM 118 C LEU A 107 22.159 0.769 -1.135 1.00 0.95 C ATOM 119 O LEU A 107 21.373 1.326 -0.368 1.00 0.88 O ATOM 120 CB LEU A 107 21.535 -1.489 -2.066 1.00 1.54 C ATOM 121 CG LEU A 107 21.649 -1.012 -3.515 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.088 -1.104 -4.001 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.730 -1.829 -4.412 1.00 2.51 C ATOM 124 H LEU A 107 21.877 -0.567 0.995 1.00 0.55 H ATOM 125 HA LEU A 107 23.439 -0.932 -1.251 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.810 -2.532 -2.035 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.508 -1.400 -1.762 1.00 2.34 H ATOM 128 HG LEU A 107 21.338 0.019 -3.571 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.253 -2.070 -4.454 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.760 -0.978 -3.166 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.271 -0.329 -4.730 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.833 -1.264 -4.617 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.469 -2.752 -3.917 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.236 -2.050 -5.341 1.00 3.04 H ATOM 135 N PHE A 108 22.850 1.422 -2.067 1.00 1.24 N ATOM 136 CA PHE A 108 22.730 2.868 -2.258 1.00 1.54 C ATOM 137 C PHE A 108 23.409 3.630 -1.125 1.00 1.42 C ATOM 138 O PHE A 108 22.921 4.674 -0.689 1.00 1.71 O ATOM 139 CB PHE A 108 21.263 3.287 -2.356 1.00 1.83 C ATOM 140 CG PHE A 108 20.515 2.572 -3.422 1.00 2.14 C ATOM 141 CD1 PHE A 108 20.928 2.644 -4.739 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.396 1.831 -3.104 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.231 1.985 -5.724 1.00 2.93 C ATOM 144 CE2 PHE A 108 18.695 1.169 -4.084 1.00 2.91 C ATOM 145 CZ PHE A 108 19.115 1.247 -5.393 1.00 2.92 C ATOM 146 H PHE A 108 23.465 0.919 -2.639 1.00 1.34 H ATOM 147 HA PHE A 108 23.224 3.118 -3.184 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.767 3.085 -1.424 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.207 4.341 -2.570 1.00 2.13 H ATOM 150 HD1 PHE A 108 21.804 3.223 -4.992 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.074 1.775 -2.075 1.00 2.87 H ATOM 152 HE1 PHE A 108 20.557 2.045 -6.752 1.00 3.48 H ATOM 153 HE2 PHE A 108 17.820 0.592 -3.828 1.00 3.46 H ATOM 154 HZ PHE A 108 18.574 0.735 -6.154 1.00 3.26 H ATOM 155 N GLY A 109 24.536 3.108 -0.652 1.00 1.13 N ATOM 156 CA GLY A 109 25.256 3.766 0.424 1.00 1.27 C ATOM 157 C GLY A 109 26.253 2.856 1.115 1.00 1.05 C ATOM 158 O GLY A 109 27.326 3.302 1.522 1.00 1.35 O ATOM 159 H GLY A 109 24.882 2.276 -1.036 1.00 0.96 H ATOM 160 HA2 GLY A 109 25.784 4.616 0.018 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.542 4.119 1.153 1.00 1.43 H ATOM 162 N LYS A 110 25.903 1.580 1.256 1.00 0.71 N ATOM 163 CA LYS A 110 26.785 0.619 1.911 1.00 0.90 C ATOM 164 C LYS A 110 28.147 0.579 1.235 1.00 1.16 C ATOM 165 O LYS A 110 29.179 0.433 1.891 1.00 1.61 O ATOM 166 CB LYS A 110 26.170 -0.779 1.897 1.00 0.83 C ATOM 167 CG LYS A 110 25.932 -1.324 0.500 1.00 1.34 C ATOM 168 CD LYS A 110 25.433 -2.757 0.547 1.00 1.95 C ATOM 169 CE LYS A 110 25.146 -3.294 -0.845 1.00 2.22 C ATOM 170 NZ LYS A 110 26.360 -3.283 -1.706 1.00 2.84 N ATOM 171 H LYS A 110 25.034 1.281 0.916 1.00 0.55 H ATOM 172 HA LYS A 110 26.915 0.933 2.929 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.832 -1.457 2.417 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.222 -0.748 2.415 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.194 -0.711 0.005 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.860 -1.293 -0.051 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.188 -3.373 1.011 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.527 -2.791 1.134 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.787 -4.310 -0.758 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.383 -2.683 -1.304 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.744 -2.318 -1.771 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.124 -3.615 -2.663 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.088 -3.909 -1.305 1.00 2.86 H ATOM 184 N GLY A 111 28.136 0.706 -0.081 1.00 1.06 N ATOM 185 CA GLY A 111 29.369 0.681 -0.844 1.00 1.46 C ATOM 186 C GLY A 111 29.373 -0.404 -1.903 1.00 1.16 C ATOM 187 O GLY A 111 29.163 -0.129 -3.084 1.00 1.82 O ATOM 188 H GLY A 111 27.279 0.817 -0.538 1.00 0.86 H ATOM 189 HA2 GLY A 111 29.503 1.638 -1.324 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.193 0.510 -0.168 1.00 2.26 H ATOM 191 N GLY A 112 29.612 -1.641 -1.478 1.00 1.66 N ATOM 192 CA GLY A 112 29.637 -2.753 -2.410 1.00 2.42 C ATOM 193 C GLY A 112 30.644 -3.816 -2.018 1.00 3.15 C ATOM 194 O GLY A 112 31.665 -3.956 -2.724 1.00 3.63 O ATOM 195 OXT GLY A 112 30.413 -4.507 -1.004 1.00 3.80 O ATOM 196 H GLY A 112 29.771 -1.800 -0.525 1.00 2.15 H ATOM 197 HA2 GLY A 112 28.654 -3.200 -2.447 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.889 -2.380 -3.392 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 11 ATOM 1 N ASP A 98 11.486 -5.098 0.192 1.00 3.32 N ATOM 2 CA ASP A 98 11.329 -5.350 1.649 1.00 2.31 C ATOM 3 C ASP A 98 11.446 -4.056 2.448 1.00 2.05 C ATOM 4 O ASP A 98 10.845 -3.917 3.513 1.00 2.68 O ATOM 5 CB ASP A 98 12.408 -6.341 2.090 1.00 2.50 C ATOM 6 CG ASP A 98 12.312 -7.666 1.357 1.00 3.15 C ATOM 7 OD1 ASP A 98 11.259 -8.328 1.466 1.00 3.59 O ATOM 8 OD2 ASP A 98 13.289 -8.040 0.675 1.00 3.81 O ATOM 9 H1 ASP A 98 10.951 -4.237 -0.040 1.00 3.66 H ATOM 10 H2 ASP A 98 11.106 -5.925 -0.314 1.00 3.69 H ATOM 11 H3 ASP A 98 12.500 -4.971 -0.001 1.00 3.70 H ATOM 12 HA ASP A 98 10.356 -5.785 1.820 1.00 2.14 H ATOM 13 HB2 ASP A 98 13.381 -5.915 1.895 1.00 2.65 H ATOM 14 HB3 ASP A 98 12.306 -6.528 3.149 1.00 2.83 H ATOM 15 N ARG A 99 12.224 -3.113 1.927 1.00 1.42 N ATOM 16 CA ARG A 99 12.421 -1.831 2.591 1.00 1.29 C ATOM 17 C ARG A 99 12.358 -0.680 1.591 1.00 0.77 C ATOM 18 O ARG A 99 11.296 -0.103 1.358 1.00 0.82 O ATOM 19 CB ARG A 99 13.758 -1.825 3.344 1.00 1.56 C ATOM 20 CG ARG A 99 14.101 -0.496 4.008 1.00 1.98 C ATOM 21 CD ARG A 99 13.090 -0.116 5.081 1.00 2.97 C ATOM 22 NE ARG A 99 11.770 0.176 4.527 1.00 2.80 N ATOM 23 CZ ARG A 99 11.512 1.209 3.727 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.468 2.078 3.421 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.290 1.380 3.240 1.00 3.12 N ATOM 26 H ARG A 99 12.678 -3.284 1.076 1.00 1.41 H ATOM 27 HA ARG A 99 11.625 -1.707 3.300 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.725 -2.583 4.112 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.549 -2.070 2.650 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.077 -0.575 4.463 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.119 0.276 3.252 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.000 -0.939 5.779 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.453 0.760 5.604 1.00 3.45 H ATOM 34 HE ARG A 99 11.039 -0.436 4.753 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.389 1.961 3.793 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.267 2.849 2.818 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.564 0.735 3.475 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.096 2.156 2.640 1.00 3.62 H ATOM 39 N GLY A 100 13.500 -0.351 1.007 1.00 0.77 N ATOM 40 CA GLY A 100 13.561 0.733 0.044 1.00 1.22 C ATOM 41 C GLY A 100 14.680 1.702 0.359 1.00 1.13 C ATOM 42 O GLY A 100 14.465 2.910 0.451 1.00 1.40 O ATOM 43 H GLY A 100 14.312 -0.846 1.239 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.719 0.320 -0.942 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.622 1.267 0.055 1.00 1.68 H ATOM 46 N TRP A 101 15.876 1.159 0.542 1.00 0.82 N ATOM 47 CA TRP A 101 17.048 1.957 0.870 1.00 0.75 C ATOM 48 C TRP A 101 17.414 2.916 -0.260 1.00 0.98 C ATOM 49 O TRP A 101 16.861 4.012 -0.352 1.00 1.30 O ATOM 50 CB TRP A 101 18.217 1.031 1.198 1.00 0.53 C ATOM 51 CG TRP A 101 17.894 0.061 2.270 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.645 0.319 3.577 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.747 -1.333 2.097 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.368 -0.853 4.241 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.424 -1.886 3.342 1.00 1.16 C ATOM 56 CE3 TRP A 101 17.869 -2.159 0.994 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.216 -3.249 3.510 1.00 1.48 C ATOM 58 CZ3 TRP A 101 17.666 -3.511 1.151 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.342 -4.050 2.402 1.00 1.53 C ATOM 60 H TRP A 101 15.972 0.187 0.466 1.00 0.74 H ATOM 61 HA TRP A 101 16.820 2.539 1.748 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.481 0.462 0.322 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.065 1.617 1.516 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.678 1.301 4.010 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.163 -0.935 5.196 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.120 -1.749 0.031 1.00 0.93 H ATOM 67 HZ2 TRP A 101 16.962 -3.670 4.467 1.00 1.74 H ATOM 68 HZ3 TRP A 101 17.758 -4.168 0.302 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.195 -5.115 2.481 1.00 1.82 H ATOM 70 N GLY A 102 18.372 2.522 -1.095 1.00 1.01 N ATOM 71 CA GLY A 102 18.814 3.389 -2.171 1.00 1.40 C ATOM 72 C GLY A 102 19.882 4.335 -1.668 1.00 1.46 C ATOM 73 O GLY A 102 20.838 4.655 -2.374 1.00 1.92 O ATOM 74 H GLY A 102 18.803 1.655 -0.960 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.218 2.784 -2.971 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.977 3.961 -2.537 1.00 1.61 H ATOM 77 N ASN A 103 19.714 4.751 -0.417 1.00 1.23 N ATOM 78 CA ASN A 103 20.649 5.635 0.252 1.00 1.39 C ATOM 79 C ASN A 103 21.967 4.926 0.562 1.00 1.23 C ATOM 80 O ASN A 103 22.905 5.539 1.071 1.00 1.44 O ATOM 81 CB ASN A 103 20.024 6.156 1.553 1.00 1.49 C ATOM 82 CG ASN A 103 19.545 5.056 2.511 1.00 1.26 C ATOM 83 OD1 ASN A 103 19.047 5.363 3.595 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.675 3.774 2.137 1.00 0.95 N ATOM 85 H ASN A 103 18.936 4.437 0.081 1.00 1.19 H ATOM 86 HA ASN A 103 20.846 6.472 -0.401 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.756 6.753 2.073 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.178 6.779 1.304 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.071 3.573 1.272 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.353 3.079 2.752 1.00 0.89 H ATOM 91 N GLY A 104 22.029 3.629 0.269 1.00 0.91 N ATOM 92 CA GLY A 104 23.226 2.867 0.539 1.00 0.80 C ATOM 93 C GLY A 104 23.599 2.895 2.006 1.00 0.86 C ATOM 94 O GLY A 104 24.770 3.033 2.359 1.00 1.08 O ATOM 95 H GLY A 104 21.253 3.184 -0.125 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.055 1.842 0.242 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.040 3.272 -0.040 1.00 1.02 H ATOM 98 N CYS A 105 22.592 2.763 2.861 1.00 0.85 N ATOM 99 CA CYS A 105 22.800 2.770 4.301 1.00 1.18 C ATOM 100 C CYS A 105 22.514 1.392 4.882 1.00 1.14 C ATOM 101 O CYS A 105 23.122 0.984 5.872 1.00 1.47 O ATOM 102 CB CYS A 105 21.902 3.816 4.966 1.00 1.47 C ATOM 103 SG CYS A 105 22.086 3.914 6.762 1.00 2.45 S ATOM 104 H CYS A 105 21.684 2.654 2.513 1.00 0.74 H ATOM 105 HA CYS A 105 23.833 3.019 4.488 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.136 4.789 4.560 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.870 3.581 4.752 1.00 1.91 H ATOM 108 HG CYS A 105 23.014 4.063 6.957 1.00 2.81 H ATOM 109 N GLY A 106 21.588 0.672 4.252 1.00 0.89 N ATOM 110 CA GLY A 106 21.246 -0.657 4.715 1.00 1.13 C ATOM 111 C GLY A 106 21.584 -1.718 3.691 1.00 1.06 C ATOM 112 O GLY A 106 21.794 -2.880 4.036 1.00 1.42 O ATOM 113 H GLY A 106 21.138 1.045 3.460 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.792 -0.861 5.624 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.188 -0.695 4.924 1.00 1.23 H ATOM 116 N LEU A 107 21.641 -1.311 2.424 1.00 0.76 N ATOM 117 CA LEU A 107 21.961 -2.219 1.332 1.00 0.98 C ATOM 118 C LEU A 107 21.855 -1.499 -0.011 1.00 0.95 C ATOM 119 O LEU A 107 21.084 -0.551 -0.154 1.00 0.88 O ATOM 120 CB LEU A 107 21.037 -3.442 1.370 1.00 1.54 C ATOM 121 CG LEU A 107 21.165 -4.412 0.194 1.00 1.63 C ATOM 122 CD1 LEU A 107 22.592 -4.924 0.069 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.197 -5.574 0.358 1.00 2.51 C ATOM 124 H LEU A 107 21.468 -0.370 2.220 1.00 0.55 H ATOM 125 HA LEU A 107 22.980 -2.543 1.467 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.241 -3.990 2.277 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.021 -3.092 1.407 1.00 2.34 H ATOM 128 HG LEU A 107 20.911 -3.894 -0.718 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.271 -4.211 0.511 1.00 2.90 H ATOM 130 HD12 LEU A 107 22.837 -5.056 -0.974 1.00 2.76 H ATOM 131 HD13 LEU A 107 22.681 -5.871 0.583 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.407 -5.291 1.038 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.724 -6.429 0.754 1.00 3.02 H ATOM 134 HD23 LEU A 107 19.771 -5.827 -0.601 1.00 3.04 H ATOM 135 N PHE A 108 22.645 -1.948 -0.984 1.00 1.24 N ATOM 136 CA PHE A 108 22.659 -1.347 -2.317 1.00 1.54 C ATOM 137 C PHE A 108 23.360 0.009 -2.299 1.00 1.42 C ATOM 138 O PHE A 108 22.865 0.982 -2.870 1.00 1.71 O ATOM 139 CB PHE A 108 21.236 -1.189 -2.857 1.00 1.83 C ATOM 140 CG PHE A 108 20.470 -2.460 -2.878 1.00 2.14 C ATOM 141 CD1 PHE A 108 20.917 -3.537 -3.618 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.300 -2.573 -2.157 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.203 -4.713 -3.637 1.00 2.93 C ATOM 144 CE2 PHE A 108 18.581 -3.745 -2.171 1.00 2.91 C ATOM 145 CZ PHE A 108 19.035 -4.814 -2.913 1.00 2.92 C ATOM 146 H PHE A 108 23.242 -2.702 -0.799 1.00 1.34 H ATOM 147 HA PHE A 108 23.206 -2.009 -2.970 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.693 -0.492 -2.244 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.278 -0.817 -3.868 1.00 2.13 H ATOM 150 HD1 PHE A 108 21.832 -3.452 -4.183 1.00 2.96 H ATOM 151 HD2 PHE A 108 18.952 -1.731 -1.576 1.00 2.87 H ATOM 152 HE1 PHE A 108 20.556 -5.552 -4.218 1.00 3.48 H ATOM 153 HE2 PHE A 108 17.665 -3.827 -1.606 1.00 3.46 H ATOM 154 HZ PHE A 108 18.480 -5.723 -2.926 1.00 3.26 H ATOM 155 N GLY A 109 24.515 0.067 -1.644 1.00 1.13 N ATOM 156 CA GLY A 109 25.260 1.309 -1.572 1.00 1.27 C ATOM 157 C GLY A 109 26.153 1.392 -0.350 1.00 1.05 C ATOM 158 O GLY A 109 27.205 2.032 -0.385 1.00 1.35 O ATOM 159 H GLY A 109 24.864 -0.739 -1.209 1.00 0.96 H ATOM 160 HA2 GLY A 109 25.874 1.398 -2.457 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.562 2.133 -1.551 1.00 1.43 H ATOM 162 N LYS A 110 25.736 0.749 0.737 1.00 0.71 N ATOM 163 CA LYS A 110 26.512 0.760 1.974 1.00 0.90 C ATOM 164 C LYS A 110 27.917 0.209 1.749 1.00 1.16 C ATOM 165 O LYS A 110 28.836 0.491 2.519 1.00 1.61 O ATOM 166 CB LYS A 110 25.804 -0.049 3.059 1.00 0.83 C ATOM 167 CG LYS A 110 25.603 -1.510 2.699 1.00 1.34 C ATOM 168 CD LYS A 110 24.913 -2.263 3.823 1.00 1.95 C ATOM 169 CE LYS A 110 24.688 -3.723 3.464 1.00 2.22 C ATOM 170 NZ LYS A 110 25.967 -4.430 3.184 1.00 2.84 N ATOM 171 H LYS A 110 24.890 0.257 0.707 1.00 0.55 H ATOM 172 HA LYS A 110 26.593 1.783 2.300 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.389 -0.002 3.966 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.835 0.390 3.245 1.00 0.94 H ATOM 175 HG2 LYS A 110 24.993 -1.573 1.811 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.565 -1.962 2.512 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.531 -2.212 4.708 1.00 2.29 H ATOM 178 HD3 LYS A 110 23.960 -1.796 4.022 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.190 -4.211 4.289 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.059 -3.771 2.587 1.00 2.47 H ATOM 181 HZ1 LYS A 110 25.896 -5.427 3.473 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.746 -3.983 3.709 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.182 -4.390 2.167 1.00 2.86 H ATOM 184 N GLY A 111 28.078 -0.578 0.691 1.00 1.06 N ATOM 185 CA GLY A 111 29.372 -1.156 0.385 1.00 1.46 C ATOM 186 C GLY A 111 30.192 -0.282 -0.544 1.00 1.16 C ATOM 187 O GLY A 111 29.674 0.246 -1.528 1.00 1.82 O ATOM 188 H GLY A 111 27.310 -0.768 0.115 1.00 0.86 H ATOM 189 HA2 GLY A 111 29.919 -1.295 1.306 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.224 -2.119 -0.082 1.00 2.26 H ATOM 191 N GLY A 112 31.474 -0.130 -0.231 1.00 1.66 N ATOM 192 CA GLY A 112 32.346 0.687 -1.056 1.00 2.42 C ATOM 193 C GLY A 112 32.548 2.078 -0.486 1.00 3.15 C ATOM 194 O GLY A 112 31.758 2.981 -0.832 1.00 3.63 O ATOM 195 OXT GLY A 112 33.495 2.262 0.307 1.00 3.80 O ATOM 196 H GLY A 112 31.833 -0.575 0.565 1.00 2.15 H ATOM 197 HA2 GLY A 112 33.306 0.200 -1.137 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.914 0.774 -2.041 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 12 ATOM 1 N ASP A 98 12.667 -3.879 -3.542 1.00 3.32 N ATOM 2 CA ASP A 98 11.339 -3.812 -2.878 1.00 2.31 C ATOM 3 C ASP A 98 11.450 -3.208 -1.482 1.00 2.05 C ATOM 4 O ASP A 98 10.514 -2.575 -0.993 1.00 2.68 O ATOM 5 CB ASP A 98 10.763 -5.227 -2.797 1.00 2.50 C ATOM 6 CG ASP A 98 10.580 -5.856 -4.164 1.00 3.15 C ATOM 7 OD1 ASP A 98 9.825 -5.289 -4.982 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.194 -6.914 -4.419 1.00 3.81 O ATOM 9 H1 ASP A 98 12.506 -4.014 -4.560 1.00 3.66 H ATOM 10 H2 ASP A 98 13.184 -4.684 -3.133 1.00 3.69 H ATOM 11 H3 ASP A 98 13.159 -2.982 -3.357 1.00 3.70 H ATOM 12 HA ASP A 98 10.686 -3.196 -3.478 1.00 2.14 H ATOM 13 HB2 ASP A 98 11.432 -5.849 -2.222 1.00 2.65 H ATOM 14 HB3 ASP A 98 9.800 -5.190 -2.307 1.00 2.83 H ATOM 15 N ARG A 99 12.599 -3.407 -0.846 1.00 1.42 N ATOM 16 CA ARG A 99 12.832 -2.882 0.494 1.00 1.29 C ATOM 17 C ARG A 99 12.707 -1.360 0.515 1.00 0.77 C ATOM 18 O ARG A 99 11.628 -0.820 0.762 1.00 0.82 O ATOM 19 CB ARG A 99 14.212 -3.321 1.003 1.00 1.56 C ATOM 20 CG ARG A 99 14.587 -2.759 2.370 1.00 1.98 C ATOM 21 CD ARG A 99 13.629 -3.223 3.459 1.00 2.97 C ATOM 22 NE ARG A 99 12.285 -2.674 3.293 1.00 2.80 N ATOM 23 CZ ARG A 99 11.993 -1.379 3.399 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.937 -0.502 3.719 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.751 -0.961 3.200 1.00 3.12 N ATOM 26 H ARG A 99 13.308 -3.921 -1.287 1.00 1.41 H ATOM 27 HA ARG A 99 12.080 -3.292 1.139 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.227 -4.399 1.070 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.961 -3.007 0.292 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.583 -3.088 2.620 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.567 -1.680 2.320 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.570 -4.303 3.431 1.00 3.53 H ATOM 33 HD3 ARG A 99 14.020 -2.909 4.419 1.00 3.45 H ATOM 34 HE ARG A 99 11.564 -3.301 3.077 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.873 -0.810 3.883 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.711 0.469 3.796 1.00 4.74 H ATOM 37 HH21 ARG A 99 10.033 -1.618 2.969 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.531 0.011 3.281 1.00 3.62 H ATOM 39 N GLY A 100 13.813 -0.678 0.259 1.00 0.77 N ATOM 40 CA GLY A 100 13.809 0.774 0.260 1.00 1.22 C ATOM 41 C GLY A 100 14.847 1.341 1.205 1.00 1.13 C ATOM 42 O GLY A 100 14.520 2.079 2.134 1.00 1.40 O ATOM 43 H GLY A 100 14.640 -1.166 0.074 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.013 1.126 -0.741 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.832 1.123 0.562 1.00 1.68 H ATOM 46 N TRP A 101 16.100 0.976 0.972 1.00 0.82 N ATOM 47 CA TRP A 101 17.205 1.427 1.807 1.00 0.75 C ATOM 48 C TRP A 101 17.436 2.930 1.671 1.00 0.98 C ATOM 49 O TRP A 101 16.766 3.726 2.327 1.00 1.30 O ATOM 50 CB TRP A 101 18.466 0.644 1.447 1.00 0.53 C ATOM 51 CG TRP A 101 18.265 -0.824 1.517 1.00 0.67 C ATOM 52 CD1 TRP A 101 18.012 -1.576 2.614 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.271 -1.704 0.411 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.875 -2.898 2.254 1.00 1.20 N ATOM 55 CE2 TRP A 101 18.030 -2.995 0.895 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.466 -1.508 -0.943 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.976 -4.098 0.053 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.416 -2.596 -1.786 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.172 -3.880 -1.288 1.00 1.53 C ATOM 60 H TRP A 101 16.288 0.375 0.220 1.00 0.74 H ATOM 61 HA TRP A 101 16.954 1.214 2.832 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.757 0.877 0.437 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.261 0.909 2.125 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.944 -1.181 3.609 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.694 -3.640 2.865 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.656 -0.522 -1.330 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.786 -5.090 0.427 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.566 -2.459 -2.845 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.145 -4.704 -1.983 1.00 1.82 H ATOM 70 N GLY A 102 18.411 3.317 0.852 1.00 1.01 N ATOM 71 CA GLY A 102 18.729 4.724 0.697 1.00 1.40 C ATOM 72 C GLY A 102 19.712 5.152 1.763 1.00 1.46 C ATOM 73 O GLY A 102 20.613 5.953 1.520 1.00 1.92 O ATOM 74 H GLY A 102 18.939 2.645 0.377 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.167 4.884 -0.280 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.827 5.307 0.789 1.00 1.61 H ATOM 77 N ASN A 103 19.537 4.573 2.947 1.00 1.23 N ATOM 78 CA ASN A 103 20.401 4.829 4.085 1.00 1.39 C ATOM 79 C ASN A 103 21.795 4.242 3.872 1.00 1.23 C ATOM 80 O ASN A 103 22.687 4.427 4.699 1.00 1.44 O ATOM 81 CB ASN A 103 19.774 4.233 5.351 1.00 1.49 C ATOM 82 CG ASN A 103 19.442 2.736 5.253 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.959 2.152 6.222 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.682 2.099 4.099 1.00 0.95 N ATOM 85 H ASN A 103 18.808 3.935 3.053 1.00 1.19 H ATOM 86 HA ASN A 103 20.485 5.899 4.206 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.460 4.367 6.173 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.860 4.767 5.570 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.062 2.596 3.355 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.457 1.144 4.044 1.00 0.89 H ATOM 91 N GLY A 104 21.976 3.522 2.766 1.00 0.91 N ATOM 92 CA GLY A 104 23.255 2.913 2.480 1.00 0.80 C ATOM 93 C GLY A 104 23.690 1.957 3.570 1.00 0.86 C ATOM 94 O GLY A 104 24.864 1.903 3.933 1.00 1.08 O ATOM 95 H GLY A 104 21.234 3.396 2.143 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.176 2.370 1.551 1.00 0.62 H ATOM 97 HA3 GLY A 104 23.998 3.689 2.376 1.00 1.02 H ATOM 98 N CYS A 105 22.733 1.196 4.087 1.00 0.85 N ATOM 99 CA CYS A 105 23.005 0.226 5.138 1.00 1.18 C ATOM 100 C CYS A 105 22.887 -1.190 4.591 1.00 1.14 C ATOM 101 O CYS A 105 23.574 -2.103 5.048 1.00 1.47 O ATOM 102 CB CYS A 105 22.037 0.420 6.306 1.00 1.47 C ATOM 103 SG CYS A 105 22.289 -0.735 7.675 1.00 2.45 S ATOM 104 H CYS A 105 21.819 1.286 3.748 1.00 0.74 H ATOM 105 HA CYS A 105 24.015 0.385 5.485 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.151 1.420 6.697 1.00 1.53 H ATOM 107 HB3 CYS A 105 21.025 0.292 5.950 1.00 1.91 H ATOM 108 HG CYS A 105 21.862 -1.564 7.445 1.00 2.81 H ATOM 109 N GLY A 106 22.015 -1.362 3.601 1.00 0.89 N ATOM 110 CA GLY A 106 21.830 -2.667 3.000 1.00 1.13 C ATOM 111 C GLY A 106 22.234 -2.683 1.540 1.00 1.06 C ATOM 112 O GLY A 106 22.574 -3.732 0.994 1.00 1.42 O ATOM 113 H GLY A 106 21.497 -0.594 3.271 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.431 -3.387 3.536 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.791 -2.947 3.079 1.00 1.23 H ATOM 116 N LEU A 107 22.202 -1.510 0.912 1.00 0.76 N ATOM 117 CA LEU A 107 22.570 -1.374 -0.492 1.00 0.98 C ATOM 118 C LEU A 107 22.358 0.063 -0.962 1.00 0.95 C ATOM 119 O LEU A 107 21.514 0.781 -0.427 1.00 0.88 O ATOM 120 CB LEU A 107 21.760 -2.355 -1.350 1.00 1.54 C ATOM 121 CG LEU A 107 21.952 -2.233 -2.863 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.416 -2.404 -3.238 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.093 -3.259 -3.590 1.00 2.51 C ATOM 124 H LEU A 107 21.926 -0.713 1.407 1.00 0.55 H ATOM 125 HA LEU A 107 23.617 -1.613 -0.577 1.00 1.00 H ATOM 126 HB2 LEU A 107 22.030 -3.358 -1.059 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.718 -2.208 -1.130 1.00 2.34 H ATOM 128 HG LEU A 107 21.635 -1.251 -3.179 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.604 -3.438 -3.490 1.00 2.90 H ATOM 130 HD12 LEU A 107 24.039 -2.119 -2.402 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.646 -1.779 -4.087 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.361 -3.665 -2.908 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.721 -4.056 -3.960 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.589 -2.783 -4.418 1.00 3.04 H ATOM 135 N PHE A 108 23.141 0.479 -1.955 1.00 1.24 N ATOM 136 CA PHE A 108 23.059 1.835 -2.499 1.00 1.54 C ATOM 137 C PHE A 108 23.659 2.852 -1.533 1.00 1.42 C ATOM 138 O PHE A 108 23.111 3.937 -1.339 1.00 1.71 O ATOM 139 CB PHE A 108 21.610 2.211 -2.812 1.00 1.83 C ATOM 140 CG PHE A 108 20.937 1.254 -3.725 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.444 1.009 -4.986 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.792 0.600 -3.319 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.817 0.125 -5.830 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.159 -0.285 -4.157 1.00 2.91 C ATOM 145 CZ PHE A 108 19.673 -0.522 -5.413 1.00 2.92 C ATOM 146 H PHE A 108 23.799 -0.141 -2.331 1.00 1.34 H ATOM 147 HA PHE A 108 23.627 1.855 -3.415 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.041 2.245 -1.901 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.588 3.180 -3.282 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.342 1.518 -5.307 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.395 0.792 -2.333 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.217 -0.063 -6.815 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.263 -0.793 -3.834 1.00 3.46 H ATOM 154 HZ PHE A 108 19.185 -1.208 -6.064 1.00 3.26 H ATOM 155 N GLY A 109 24.792 2.498 -0.931 1.00 1.13 N ATOM 156 CA GLY A 109 25.441 3.400 0.001 1.00 1.27 C ATOM 157 C GLY A 109 26.367 2.686 0.968 1.00 1.05 C ATOM 158 O GLY A 109 27.394 3.235 1.369 1.00 1.35 O ATOM 159 H GLY A 109 25.188 1.623 -1.124 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.016 4.122 -0.559 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.684 3.922 0.566 1.00 1.43 H ATOM 162 N LYS A 110 26.007 1.464 1.349 1.00 0.71 N ATOM 163 CA LYS A 110 26.822 0.688 2.279 1.00 0.90 C ATOM 164 C LYS A 110 28.243 0.519 1.757 1.00 1.16 C ATOM 165 O LYS A 110 29.186 0.350 2.531 1.00 1.61 O ATOM 166 CB LYS A 110 26.199 -0.687 2.526 1.00 0.83 C ATOM 167 CG LYS A 110 26.080 -1.536 1.273 1.00 1.34 C ATOM 168 CD LYS A 110 25.533 -2.916 1.595 1.00 1.95 C ATOM 169 CE LYS A 110 25.374 -3.762 0.343 1.00 2.22 C ATOM 170 NZ LYS A 110 26.670 -3.960 -0.366 1.00 2.84 N ATOM 171 H LYS A 110 25.178 1.077 0.999 1.00 0.55 H ATOM 172 HA LYS A 110 26.858 1.225 3.209 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.808 -1.220 3.240 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.211 -0.552 2.939 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.411 -1.047 0.579 1.00 1.77 H ATOM 176 HG3 LYS A 110 27.057 -1.641 0.825 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.217 -3.412 2.267 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.573 -2.807 2.074 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.978 -4.727 0.623 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.681 -3.269 -0.323 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.812 -4.969 -0.576 1.00 3.29 H ATOM 182 HZ2 LYS A 110 27.458 -3.626 0.225 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.672 -3.428 -1.261 1.00 2.86 H ATOM 184 N GLY A 111 28.388 0.566 0.440 1.00 1.06 N ATOM 185 CA GLY A 111 29.694 0.414 -0.169 1.00 1.46 C ATOM 186 C GLY A 111 29.645 -0.372 -1.464 1.00 1.16 C ATOM 187 O GLY A 111 29.886 0.174 -2.540 1.00 1.82 O ATOM 188 H GLY A 111 27.599 0.701 -0.123 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.101 1.394 -0.371 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.345 -0.097 0.525 1.00 2.26 H ATOM 191 N GLY A 112 29.330 -1.659 -1.359 1.00 1.66 N ATOM 192 CA GLY A 112 29.254 -2.502 -2.538 1.00 2.42 C ATOM 193 C GLY A 112 28.158 -2.069 -3.492 1.00 3.15 C ATOM 194 O GLY A 112 28.424 -1.196 -4.343 1.00 3.63 O ATOM 195 OXT GLY A 112 27.034 -2.603 -3.387 1.00 3.80 O ATOM 196 H GLY A 112 29.147 -2.039 -0.475 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.201 -2.466 -3.055 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.064 -3.520 -2.227 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 13 ATOM 1 N ASP A 98 11.051 -4.662 -1.141 1.00 3.32 N ATOM 2 CA ASP A 98 10.442 -4.885 0.198 1.00 2.31 C ATOM 3 C ASP A 98 10.690 -3.695 1.119 1.00 2.05 C ATOM 4 O ASP A 98 9.771 -3.204 1.776 1.00 2.68 O ATOM 5 CB ASP A 98 11.044 -6.154 0.802 1.00 2.50 C ATOM 6 CG ASP A 98 10.785 -7.380 -0.053 1.00 3.15 C ATOM 7 OD1 ASP A 98 9.601 -7.708 -0.276 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.766 -8.011 -0.498 1.00 3.81 O ATOM 9 H1 ASP A 98 12.084 -4.675 -1.025 1.00 3.66 H ATOM 10 H2 ASP A 98 10.722 -3.739 -1.488 1.00 3.69 H ATOM 11 H3 ASP A 98 10.736 -5.433 -1.764 1.00 3.70 H ATOM 12 HA ASP A 98 9.379 -5.019 0.073 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.111 -6.027 0.901 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.612 -6.320 1.778 1.00 2.83 H ATOM 15 N ARG A 99 11.936 -3.236 1.164 1.00 1.42 N ATOM 16 CA ARG A 99 12.303 -2.103 2.006 1.00 1.29 C ATOM 17 C ARG A 99 12.395 -0.819 1.185 1.00 0.77 C ATOM 18 O ARG A 99 11.414 -0.087 1.050 1.00 0.82 O ATOM 19 CB ARG A 99 13.628 -2.386 2.725 1.00 1.56 C ATOM 20 CG ARG A 99 14.139 -1.231 3.579 1.00 1.98 C ATOM 21 CD ARG A 99 13.170 -0.878 4.700 1.00 2.97 C ATOM 22 NE ARG A 99 11.919 -0.312 4.198 1.00 2.80 N ATOM 23 CZ ARG A 99 11.834 0.860 3.571 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.912 1.615 3.406 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.662 1.284 3.118 1.00 3.12 N ATOM 26 H ARG A 99 12.625 -3.668 0.618 1.00 1.41 H ATOM 27 HA ARG A 99 11.531 -1.981 2.739 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.493 -3.243 3.368 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.382 -2.621 1.989 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.086 -1.512 4.015 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.276 -0.366 2.948 1.00 1.97 H ATOM 32 HD2 ARG A 99 12.945 -1.776 5.259 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.644 -0.157 5.352 1.00 3.45 H ATOM 34 HE ARG A 99 11.103 -0.838 4.324 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.797 1.308 3.755 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.841 2.493 2.933 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.844 0.724 3.248 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.596 2.163 2.647 1.00 3.62 H ATOM 39 N GLY A 100 13.573 -0.548 0.646 1.00 0.77 N ATOM 40 CA GLY A 100 13.770 0.652 -0.148 1.00 1.22 C ATOM 41 C GLY A 100 14.847 1.544 0.432 1.00 1.13 C ATOM 42 O GLY A 100 14.577 2.669 0.853 1.00 1.40 O ATOM 43 H GLY A 100 14.317 -1.167 0.792 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.053 0.366 -1.151 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.842 1.203 -0.187 1.00 1.68 H ATOM 46 N TRP A 101 16.070 1.028 0.470 1.00 0.82 N ATOM 47 CA TRP A 101 17.200 1.763 1.018 1.00 0.75 C ATOM 48 C TRP A 101 17.590 2.943 0.130 1.00 0.98 C ATOM 49 O TRP A 101 16.989 4.015 0.218 1.00 1.30 O ATOM 50 CB TRP A 101 18.379 0.812 1.212 1.00 0.53 C ATOM 51 CG TRP A 101 18.021 -0.380 2.019 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.647 -0.420 3.320 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.977 -1.709 1.541 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.382 -1.718 3.690 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.579 -2.530 2.603 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.244 -2.273 0.306 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.440 -3.904 2.459 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.111 -3.635 0.155 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.711 -4.442 1.227 1.00 1.53 C ATOM 60 H TRP A 101 16.212 0.120 0.130 1.00 0.74 H ATOM 61 HA TRP A 101 16.911 2.147 1.982 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.717 0.458 0.253 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.183 1.330 1.713 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.582 0.444 3.950 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.098 -2.011 4.580 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.554 -1.656 -0.519 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.129 -4.532 3.278 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.316 -4.089 -0.801 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.623 -5.504 1.065 1.00 1.82 H ATOM 70 N GLY A 102 18.619 2.764 -0.696 1.00 1.01 N ATOM 71 CA GLY A 102 19.083 3.847 -1.541 1.00 1.40 C ATOM 72 C GLY A 102 20.073 4.705 -0.786 1.00 1.46 C ATOM 73 O GLY A 102 21.054 5.195 -1.346 1.00 1.92 O ATOM 74 H GLY A 102 19.085 1.906 -0.706 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.562 3.433 -2.418 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.243 4.454 -1.841 1.00 1.61 H ATOM 77 N ASN A 103 19.812 4.852 0.509 1.00 1.23 N ATOM 78 CA ASN A 103 20.664 5.610 1.405 1.00 1.39 C ATOM 79 C ASN A 103 21.999 4.903 1.640 1.00 1.23 C ATOM 80 O ASN A 103 22.881 5.435 2.313 1.00 1.44 O ATOM 81 CB ASN A 103 19.946 5.818 2.744 1.00 1.49 C ATOM 82 CG ASN A 103 19.473 4.524 3.420 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.908 4.576 4.513 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.682 3.357 2.794 1.00 0.95 N ATOM 85 H ASN A 103 19.022 4.416 0.879 1.00 1.19 H ATOM 86 HA ASN A 103 20.852 6.572 0.954 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.618 6.322 3.423 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.083 6.448 2.579 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.130 3.360 1.930 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.366 2.535 3.229 1.00 0.89 H ATOM 91 N GLY A 104 22.137 3.697 1.094 1.00 0.91 N ATOM 92 CA GLY A 104 23.356 2.941 1.270 1.00 0.80 C ATOM 93 C GLY A 104 23.657 2.677 2.730 1.00 0.86 C ATOM 94 O GLY A 104 24.806 2.755 3.162 1.00 1.08 O ATOM 95 H GLY A 104 21.404 3.313 0.575 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.251 1.996 0.759 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.177 3.490 0.835 1.00 1.02 H ATOM 98 N CYS A 105 22.614 2.359 3.487 1.00 0.85 N ATOM 99 CA CYS A 105 22.754 2.074 4.908 1.00 1.18 C ATOM 100 C CYS A 105 22.507 0.596 5.175 1.00 1.14 C ATOM 101 O CYS A 105 23.082 0.015 6.096 1.00 1.47 O ATOM 102 CB CYS A 105 21.777 2.925 5.721 1.00 1.47 C ATOM 103 SG CYS A 105 21.871 2.654 7.506 1.00 2.45 S ATOM 104 H CYS A 105 21.727 2.310 3.078 1.00 0.74 H ATOM 105 HA CYS A 105 23.764 2.319 5.200 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.982 3.969 5.538 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.768 2.702 5.406 1.00 1.91 H ATOM 108 HG CYS A 105 21.099 2.146 7.770 1.00 2.81 H ATOM 109 N GLY A 106 21.653 -0.011 4.355 1.00 0.89 N ATOM 110 CA GLY A 106 21.353 -1.420 4.513 1.00 1.13 C ATOM 111 C GLY A 106 21.793 -2.232 3.313 1.00 1.06 C ATOM 112 O GLY A 106 22.035 -3.434 3.424 1.00 1.42 O ATOM 113 H GLY A 106 21.227 0.500 3.631 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.861 -1.789 5.391 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.288 -1.540 4.645 1.00 1.23 H ATOM 116 N LEU A 107 21.905 -1.567 2.166 1.00 0.76 N ATOM 117 CA LEU A 107 22.324 -2.218 0.931 1.00 0.98 C ATOM 118 C LEU A 107 22.270 -1.234 -0.235 1.00 0.95 C ATOM 119 O LEU A 107 21.477 -0.292 -0.226 1.00 0.88 O ATOM 120 CB LEU A 107 21.446 -3.445 0.652 1.00 1.54 C ATOM 121 CG LEU A 107 21.690 -4.148 -0.684 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.141 -4.591 -0.803 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.757 -5.342 -0.830 1.00 2.51 C ATOM 124 H LEU A 107 21.701 -0.610 2.149 1.00 0.55 H ATOM 125 HA LEU A 107 23.344 -2.537 1.064 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.609 -4.162 1.442 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.418 -3.132 0.684 1.00 2.34 H ATOM 128 HG LEU A 107 21.478 -3.461 -1.487 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.456 -4.518 -1.834 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.235 -5.613 -0.471 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.764 -3.955 -0.192 1.00 2.56 H ATOM 132 HD21 LEU A 107 21.290 -6.163 -1.288 1.00 2.74 H ATOM 133 HD22 LEU A 107 19.917 -5.068 -1.451 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.401 -5.644 0.145 1.00 3.04 H ATOM 135 N PHE A 108 23.128 -1.452 -1.230 1.00 1.24 N ATOM 136 CA PHE A 108 23.196 -0.584 -2.406 1.00 1.54 C ATOM 137 C PHE A 108 23.852 0.751 -2.065 1.00 1.42 C ATOM 138 O PHE A 108 23.381 1.808 -2.485 1.00 1.71 O ATOM 139 CB PHE A 108 21.803 -0.345 -2.988 1.00 1.83 C ATOM 140 CG PHE A 108 21.079 -1.598 -3.320 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.607 -2.496 -4.227 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.867 -1.875 -2.723 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.934 -3.654 -4.535 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.188 -3.031 -3.026 1.00 2.91 C ATOM 145 CZ PHE A 108 19.724 -3.919 -3.932 1.00 2.92 C ATOM 146 H PHE A 108 23.737 -2.217 -1.171 1.00 1.34 H ATOM 147 HA PHE A 108 23.800 -1.085 -3.147 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.203 0.198 -2.280 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.891 0.230 -3.896 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.557 -2.283 -4.696 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.455 -1.174 -2.013 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.351 -4.352 -5.245 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.239 -3.240 -2.556 1.00 3.46 H ATOM 154 HZ PHE A 108 19.199 -4.815 -4.167 1.00 3.26 H ATOM 155 N GLY A 109 24.941 0.699 -1.305 1.00 1.13 N ATOM 156 CA GLY A 109 25.637 1.916 -0.933 1.00 1.27 C ATOM 157 C GLY A 109 26.456 1.765 0.335 1.00 1.05 C ATOM 158 O GLY A 109 27.501 2.400 0.482 1.00 1.35 O ATOM 159 H GLY A 109 25.276 -0.171 -1.000 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.297 2.199 -1.740 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.910 2.700 -0.786 1.00 1.43 H ATOM 162 N LYS A 110 25.985 0.929 1.256 1.00 0.71 N ATOM 163 CA LYS A 110 26.690 0.710 2.516 1.00 0.90 C ATOM 164 C LYS A 110 28.119 0.233 2.274 1.00 1.16 C ATOM 165 O LYS A 110 28.988 0.384 3.132 1.00 1.61 O ATOM 166 CB LYS A 110 25.944 -0.305 3.382 1.00 0.83 C ATOM 167 CG LYS A 110 25.804 -1.674 2.737 1.00 1.34 C ATOM 168 CD LYS A 110 25.093 -2.646 3.661 1.00 1.95 C ATOM 169 CE LYS A 110 24.923 -4.011 3.014 1.00 2.22 C ATOM 170 NZ LYS A 110 26.233 -4.623 2.659 1.00 2.84 N ATOM 171 H LYS A 110 25.146 0.452 1.086 1.00 0.55 H ATOM 172 HA LYS A 110 26.725 1.650 3.038 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.475 -0.424 4.314 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.954 0.073 3.588 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.235 -1.576 1.825 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.789 -2.058 2.512 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.673 -2.758 4.565 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.120 -2.247 3.904 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.409 -4.661 3.705 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.332 -3.899 2.118 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.759 -3.996 2.017 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.084 -5.538 2.185 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.800 -4.779 3.517 1.00 2.86 H ATOM 184 N GLY A 111 28.354 -0.342 1.100 1.00 1.06 N ATOM 185 CA GLY A 111 29.678 -0.832 0.766 1.00 1.46 C ATOM 186 C GLY A 111 30.359 0.015 -0.292 1.00 1.16 C ATOM 187 O GLY A 111 30.880 1.090 0.004 1.00 1.82 O ATOM 188 H GLY A 111 27.622 -0.433 0.457 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.287 -0.832 1.658 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.594 -1.844 0.401 1.00 2.26 H ATOM 191 N GLY A 112 30.355 -0.471 -1.529 1.00 1.66 N ATOM 192 CA GLY A 112 30.980 0.261 -2.615 1.00 2.42 C ATOM 193 C GLY A 112 29.975 1.025 -3.453 1.00 3.15 C ATOM 194 O GLY A 112 28.799 0.604 -3.501 1.00 3.63 O ATOM 195 OXT GLY A 112 30.362 2.045 -4.062 1.00 3.80 O ATOM 196 H GLY A 112 29.924 -1.333 -1.706 1.00 2.15 H ATOM 197 HA2 GLY A 112 31.692 0.960 -2.201 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.505 -0.438 -3.250 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 14 ATOM 1 N ASP A 98 11.864 -3.868 -3.134 1.00 3.32 N ATOM 2 CA ASP A 98 11.196 -4.642 -2.054 1.00 2.31 C ATOM 3 C ASP A 98 11.316 -3.930 -0.711 1.00 2.05 C ATOM 4 O ASP A 98 10.356 -3.867 0.057 1.00 2.68 O ATOM 5 CB ASP A 98 11.843 -6.026 -1.976 1.00 2.50 C ATOM 6 CG ASP A 98 11.709 -6.801 -3.272 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.563 -7.050 -3.700 1.00 3.59 O ATOM 8 OD2 ASP A 98 12.752 -7.158 -3.860 1.00 3.81 O ATOM 9 H1 ASP A 98 11.563 -4.270 -4.045 1.00 3.66 H ATOM 10 H2 ASP A 98 12.893 -3.963 -3.002 1.00 3.69 H ATOM 11 H3 ASP A 98 11.564 -2.877 -3.046 1.00 3.70 H ATOM 12 HA ASP A 98 10.152 -4.750 -2.304 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.893 -5.914 -1.752 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.369 -6.594 -1.188 1.00 2.83 H ATOM 15 N ARG A 99 12.500 -3.393 -0.434 1.00 1.42 N ATOM 16 CA ARG A 99 12.745 -2.685 0.817 1.00 1.29 C ATOM 17 C ARG A 99 12.691 -1.174 0.610 1.00 0.77 C ATOM 18 O ARG A 99 11.638 -0.555 0.761 1.00 0.82 O ATOM 19 CB ARG A 99 14.097 -3.107 1.406 1.00 1.56 C ATOM 20 CG ARG A 99 14.483 -2.371 2.683 1.00 1.98 C ATOM 21 CD ARG A 99 13.491 -2.624 3.811 1.00 2.97 C ATOM 22 NE ARG A 99 12.180 -2.036 3.543 1.00 2.80 N ATOM 23 CZ ARG A 99 11.955 -0.727 3.457 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.940 0.139 3.661 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.738 -0.280 3.179 1.00 3.12 N ATOM 26 H ARG A 99 13.227 -3.476 -1.086 1.00 1.41 H ATOM 27 HA ARG A 99 11.968 -2.961 1.503 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.061 -4.164 1.629 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.867 -2.934 0.670 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.459 -2.707 3.000 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.519 -1.311 2.477 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.374 -3.691 3.937 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.886 -2.195 4.722 1.00 3.45 H ATOM 34 HE ARG A 99 11.429 -2.651 3.408 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.859 -0.189 3.882 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.764 1.121 3.593 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.990 -0.928 3.034 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.568 0.703 3.115 1.00 3.62 H ATOM 39 N GLY A 100 13.828 -0.588 0.268 1.00 0.77 N ATOM 40 CA GLY A 100 13.890 0.846 0.052 1.00 1.22 C ATOM 41 C GLY A 100 14.931 1.507 0.931 1.00 1.13 C ATOM 42 O GLY A 100 14.613 2.370 1.749 1.00 1.40 O ATOM 43 H GLY A 100 14.633 -1.134 0.165 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.134 1.036 -0.983 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.924 1.277 0.271 1.00 1.68 H ATOM 46 N TRP A 101 16.178 1.082 0.771 1.00 0.82 N ATOM 47 CA TRP A 101 17.281 1.612 1.559 1.00 0.75 C ATOM 48 C TRP A 101 17.580 3.068 1.207 1.00 0.98 C ATOM 49 O TRP A 101 16.925 3.979 1.713 1.00 1.30 O ATOM 50 CB TRP A 101 18.517 0.736 1.358 1.00 0.53 C ATOM 51 CG TRP A 101 18.254 -0.696 1.633 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.930 -1.268 2.818 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.264 -1.730 0.671 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.751 -2.621 2.651 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.951 -2.926 1.329 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.517 -1.745 -0.688 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.883 -4.139 0.657 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.453 -2.944 -1.364 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.137 -4.131 -0.692 1.00 1.53 C ATOM 60 H TRP A 101 16.361 0.382 0.110 1.00 0.74 H ATOM 61 HA TRP A 101 16.999 1.567 2.597 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.845 0.808 0.334 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.305 1.069 2.016 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.842 -0.726 3.740 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.516 -3.258 3.356 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.761 -0.834 -1.208 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.636 -5.056 1.165 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.647 -2.972 -2.423 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.102 -5.047 -1.259 1.00 1.82 H ATOM 70 N GLY A 102 18.592 3.291 0.372 1.00 1.01 N ATOM 71 CA GLY A 102 18.974 4.645 0.019 1.00 1.40 C ATOM 72 C GLY A 102 19.932 5.198 1.050 1.00 1.46 C ATOM 73 O GLY A 102 20.871 5.926 0.727 1.00 1.92 O ATOM 74 H GLY A 102 19.105 2.537 0.022 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.454 4.639 -0.950 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.093 5.268 -0.018 1.00 1.61 H ATOM 77 N ASN A 103 19.694 4.810 2.299 1.00 1.23 N ATOM 78 CA ASN A 103 20.525 5.207 3.421 1.00 1.39 C ATOM 79 C ASN A 103 21.904 4.551 3.356 1.00 1.23 C ATOM 80 O ASN A 103 22.773 4.836 4.179 1.00 1.44 O ATOM 81 CB ASN A 103 19.831 4.828 4.735 1.00 1.49 C ATOM 82 CG ASN A 103 19.445 3.346 4.848 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.907 2.929 5.873 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.701 2.534 3.811 1.00 0.95 N ATOM 85 H ASN A 103 18.939 4.217 2.469 1.00 1.19 H ATOM 86 HA ASN A 103 20.644 6.279 3.384 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.492 5.062 5.556 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.931 5.417 4.834 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.124 2.903 3.017 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.441 1.590 3.888 1.00 0.89 H ATOM 91 N GLY A 104 22.097 3.664 2.382 1.00 0.91 N ATOM 92 CA GLY A 104 23.363 2.980 2.245 1.00 0.80 C ATOM 93 C GLY A 104 23.717 2.180 3.479 1.00 0.86 C ATOM 94 O GLY A 104 24.876 2.135 3.892 1.00 1.08 O ATOM 95 H GLY A 104 21.372 3.466 1.757 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.300 2.311 1.400 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.136 3.709 2.063 1.00 1.02 H ATOM 98 N CYS A 105 22.711 1.544 4.066 1.00 0.85 N ATOM 99 CA CYS A 105 22.905 0.732 5.259 1.00 1.18 C ATOM 100 C CYS A 105 22.744 -0.744 4.923 1.00 1.14 C ATOM 101 O CYS A 105 23.370 -1.605 5.542 1.00 1.47 O ATOM 102 CB CYS A 105 21.907 1.135 6.346 1.00 1.47 C ATOM 103 SG CYS A 105 22.064 0.190 7.880 1.00 2.45 S ATOM 104 H CYS A 105 21.814 1.619 3.684 1.00 0.74 H ATOM 105 HA CYS A 105 23.909 0.902 5.618 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.052 2.178 6.588 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.904 0.994 5.974 1.00 1.91 H ATOM 108 HG CYS A 105 21.476 -0.567 7.823 1.00 2.81 H ATOM 109 N GLY A 106 21.904 -1.029 3.931 1.00 0.89 N ATOM 110 CA GLY A 106 21.682 -2.402 3.524 1.00 1.13 C ATOM 111 C GLY A 106 22.137 -2.655 2.102 1.00 1.06 C ATOM 112 O GLY A 106 22.448 -3.787 1.733 1.00 1.42 O ATOM 113 H GLY A 106 21.435 -0.300 3.467 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.231 -3.055 4.186 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.630 -2.625 3.601 1.00 1.23 H ATOM 116 N LEU A 107 22.179 -1.591 1.303 1.00 0.76 N ATOM 117 CA LEU A 107 22.601 -1.685 -0.089 1.00 0.98 C ATOM 118 C LEU A 107 22.469 -0.329 -0.779 1.00 0.95 C ATOM 119 O LEU A 107 21.642 0.495 -0.390 1.00 0.88 O ATOM 120 CB LEU A 107 21.780 -2.753 -0.821 1.00 1.54 C ATOM 121 CG LEU A 107 22.035 -2.874 -2.325 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.503 -3.165 -2.603 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.155 -3.963 -2.923 1.00 2.51 C ATOM 124 H LEU A 107 21.922 -0.716 1.661 1.00 0.55 H ATOM 125 HA LEU A 107 23.640 -1.973 -0.095 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.993 -3.710 -0.369 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.738 -2.533 -0.675 1.00 2.34 H ATOM 128 HG LEU A 107 21.779 -1.942 -2.802 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.629 -4.217 -2.814 1.00 2.90 H ATOM 130 HD12 LEU A 107 24.093 -2.899 -1.739 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.830 -2.586 -3.455 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.295 -3.511 -3.396 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.826 -4.632 -2.142 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.718 -4.519 -3.659 1.00 3.04 H ATOM 135 N PHE A 108 23.298 -0.101 -1.795 1.00 1.24 N ATOM 136 CA PHE A 108 23.292 1.157 -2.542 1.00 1.54 C ATOM 137 C PHE A 108 23.903 2.287 -1.718 1.00 1.42 C ATOM 138 O PHE A 108 23.415 3.418 -1.742 1.00 1.71 O ATOM 139 CB PHE A 108 21.872 1.534 -2.964 1.00 1.83 C ATOM 140 CG PHE A 108 21.189 0.474 -3.748 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.728 0.022 -4.937 1.00 2.59 C ATOM 142 CD2 PHE A 108 20.005 -0.067 -3.292 1.00 2.54 C ATOM 143 CE1 PHE A 108 21.091 -0.959 -5.661 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.363 -1.047 -4.012 1.00 2.91 C ATOM 145 CZ PHE A 108 19.908 -1.491 -5.197 1.00 2.92 C ATOM 146 H PHE A 108 23.938 -0.799 -2.049 1.00 1.34 H ATOM 147 HA PHE A 108 23.891 1.015 -3.428 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.275 1.726 -2.091 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.906 2.420 -3.576 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.654 0.443 -5.296 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.585 0.286 -2.363 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.516 -1.308 -6.591 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.436 -1.466 -3.650 1.00 3.46 H ATOM 154 HZ PHE A 108 19.414 -2.250 -5.756 1.00 3.26 H ATOM 155 N GLY A 109 24.975 1.980 -0.994 1.00 1.13 N ATOM 156 CA GLY A 109 25.629 2.990 -0.183 1.00 1.27 C ATOM 157 C GLY A 109 26.497 2.402 0.913 1.00 1.05 C ATOM 158 O GLY A 109 27.527 2.975 1.267 1.00 1.35 O ATOM 159 H GLY A 109 25.326 1.065 -1.014 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.246 3.602 -0.823 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.872 3.614 0.268 1.00 1.43 H ATOM 162 N LYS A 110 26.085 1.259 1.456 1.00 0.71 N ATOM 163 CA LYS A 110 26.842 0.607 2.521 1.00 0.90 C ATOM 164 C LYS A 110 28.274 0.320 2.084 1.00 1.16 C ATOM 165 O LYS A 110 29.170 0.172 2.915 1.00 1.61 O ATOM 166 CB LYS A 110 26.162 -0.692 2.951 1.00 0.83 C ATOM 167 CG LYS A 110 26.044 -1.718 1.838 1.00 1.34 C ATOM 168 CD LYS A 110 25.413 -3.005 2.341 1.00 1.95 C ATOM 169 CE LYS A 110 25.259 -4.025 1.225 1.00 2.22 C ATOM 170 NZ LYS A 110 26.569 -4.386 0.617 1.00 2.84 N ATOM 171 H LYS A 110 25.255 0.848 1.137 1.00 0.55 H ATOM 172 HA LYS A 110 26.868 1.281 3.361 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.730 -1.132 3.757 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.168 -0.464 3.307 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.428 -1.311 1.049 1.00 1.77 H ATOM 176 HG3 LYS A 110 27.030 -1.936 1.454 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.042 -3.423 3.112 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.441 -2.779 2.751 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.802 -4.917 1.629 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.618 -3.610 0.460 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.200 -4.786 1.340 1.00 3.29 H ATOM 182 HZ2 LYS A 110 27.019 -3.541 0.210 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.431 -5.089 -0.137 1.00 2.86 H ATOM 184 N GLY A 111 28.484 0.243 0.775 1.00 1.06 N ATOM 185 CA GLY A 111 29.809 -0.027 0.250 1.00 1.46 C ATOM 186 C GLY A 111 29.811 -0.209 -1.255 1.00 1.16 C ATOM 187 O GLY A 111 30.673 0.327 -1.951 1.00 1.82 O ATOM 188 H GLY A 111 27.732 0.370 0.161 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.459 0.798 0.502 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.190 -0.927 0.711 1.00 2.26 H ATOM 191 N GLY A 112 28.844 -0.969 -1.759 1.00 1.66 N ATOM 192 CA GLY A 112 28.755 -1.206 -3.187 1.00 2.42 C ATOM 193 C GLY A 112 27.512 -1.986 -3.570 1.00 3.15 C ATOM 194 O GLY A 112 26.614 -2.128 -2.715 1.00 3.63 O ATOM 195 OXT GLY A 112 27.439 -2.455 -4.726 1.00 3.80 O ATOM 196 H GLY A 112 28.184 -1.370 -1.155 1.00 2.15 H ATOM 197 HA2 GLY A 112 28.742 -0.255 -3.699 1.00 2.60 H ATOM 198 HA3 GLY A 112 29.626 -1.761 -3.503 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 15 ATOM 1 N ASP A 98 12.587 -3.690 -3.480 1.00 3.32 N ATOM 2 CA ASP A 98 12.322 -4.805 -2.534 1.00 2.31 C ATOM 3 C ASP A 98 12.186 -4.294 -1.104 1.00 2.05 C ATOM 4 O ASP A 98 11.333 -4.757 -0.346 1.00 2.68 O ATOM 5 CB ASP A 98 13.474 -5.808 -2.628 1.00 2.50 C ATOM 6 CG ASP A 98 13.623 -6.388 -4.021 1.00 3.15 C ATOM 7 OD1 ASP A 98 12.661 -7.018 -4.508 1.00 3.59 O ATOM 8 OD2 ASP A 98 14.702 -6.212 -4.624 1.00 3.81 O ATOM 9 H1 ASP A 98 12.418 -4.043 -4.443 1.00 3.66 H ATOM 10 H2 ASP A 98 13.579 -3.399 -3.355 1.00 3.69 H ATOM 11 H3 ASP A 98 11.936 -2.914 -3.246 1.00 3.70 H ATOM 12 HA ASP A 98 11.402 -5.291 -2.824 1.00 2.14 H ATOM 13 HB2 ASP A 98 14.396 -5.313 -2.364 1.00 2.65 H ATOM 14 HB3 ASP A 98 13.294 -6.619 -1.937 1.00 2.83 H ATOM 15 N ARG A 99 13.031 -3.335 -0.742 1.00 1.42 N ATOM 16 CA ARG A 99 13.008 -2.757 0.597 1.00 1.29 C ATOM 17 C ARG A 99 12.785 -1.251 0.541 1.00 0.77 C ATOM 18 O ARG A 99 11.670 -0.766 0.737 1.00 0.82 O ATOM 19 CB ARG A 99 14.315 -3.073 1.333 1.00 1.56 C ATOM 20 CG ARG A 99 14.424 -2.454 2.725 1.00 1.98 C ATOM 21 CD ARG A 99 13.402 -3.029 3.696 1.00 2.97 C ATOM 22 NE ARG A 99 12.029 -2.649 3.365 1.00 2.80 N ATOM 23 CZ ARG A 99 10.961 -3.085 4.029 1.00 3.29 C ATOM 24 NH1 ARG A 99 11.101 -3.928 5.044 1.00 4.17 N ATOM 25 NH2 ARG A 99 9.749 -2.677 3.676 1.00 3.12 N ATOM 26 H ARG A 99 13.688 -3.007 -1.391 1.00 1.41 H ATOM 27 HA ARG A 99 12.192 -3.203 1.131 1.00 1.65 H ATOM 28 HB2 ARG A 99 14.400 -4.144 1.438 1.00 1.81 H ATOM 29 HB3 ARG A 99 15.143 -2.716 0.739 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.414 -2.642 3.112 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.269 -1.387 2.643 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.477 -4.107 3.677 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.633 -2.669 4.690 1.00 3.45 H ATOM 34 HE ARG A 99 11.896 -2.029 2.622 1.00 2.51 H ATOM 35 HH11 ARG A 99 12.011 -4.240 5.315 1.00 4.32 H ATOM 36 HH12 ARG A 99 10.294 -4.252 5.538 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.638 -2.043 2.911 1.00 2.60 H ATOM 38 HH22 ARG A 99 8.947 -3.005 4.174 1.00 3.62 H ATOM 39 N GLY A 100 13.855 -0.521 0.281 1.00 0.77 N ATOM 40 CA GLY A 100 13.776 0.928 0.212 1.00 1.22 C ATOM 41 C GLY A 100 14.814 1.586 1.095 1.00 1.13 C ATOM 42 O GLY A 100 14.502 2.480 1.881 1.00 1.40 O ATOM 43 H GLY A 100 14.713 -0.972 0.144 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.933 1.241 -0.810 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.794 1.242 0.532 1.00 1.68 H ATOM 46 N TRP A 101 16.050 1.124 0.969 1.00 0.82 N ATOM 47 CA TRP A 101 17.156 1.641 1.761 1.00 0.75 C ATOM 48 C TRP A 101 17.441 3.107 1.445 1.00 0.98 C ATOM 49 O TRP A 101 16.806 4.001 2.005 1.00 1.30 O ATOM 50 CB TRP A 101 18.396 0.781 1.519 1.00 0.53 C ATOM 51 CG TRP A 101 18.153 -0.658 1.779 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.893 -1.257 2.967 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.110 -1.672 0.796 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.713 -2.607 2.780 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.840 -2.883 1.443 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.286 -1.656 -0.576 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.738 -4.082 0.751 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.188 -2.841 -1.272 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.915 -4.044 -0.610 1.00 1.53 C ATOM 60 H TRP A 101 16.222 0.401 0.330 1.00 0.74 H ATOM 61 HA TRP A 101 16.886 1.564 2.800 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.702 0.871 0.490 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.195 1.110 2.166 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.855 -0.735 3.903 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.521 -3.262 3.485 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.498 -0.734 -1.089 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.524 -5.011 1.250 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.322 -2.845 -2.342 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.852 -4.948 -1.193 1.00 1.82 H ATOM 70 N GLY A 102 18.422 3.356 0.581 1.00 1.01 N ATOM 71 CA GLY A 102 18.792 4.720 0.259 1.00 1.40 C ATOM 72 C GLY A 102 19.778 5.244 1.278 1.00 1.46 C ATOM 73 O GLY A 102 20.707 5.983 0.950 1.00 1.92 O ATOM 74 H GLY A 102 18.920 2.611 0.189 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.243 4.744 -0.724 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.911 5.343 0.266 1.00 1.61 H ATOM 77 N ASN A 103 19.576 4.817 2.521 1.00 1.23 N ATOM 78 CA ASN A 103 20.438 5.181 3.630 1.00 1.39 C ATOM 79 C ASN A 103 21.810 4.518 3.516 1.00 1.23 C ATOM 80 O ASN A 103 22.696 4.764 4.334 1.00 1.44 O ATOM 81 CB ASN A 103 19.775 4.777 4.952 1.00 1.49 C ATOM 82 CG ASN A 103 19.377 3.296 5.039 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.854 2.863 6.065 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.605 2.505 3.981 1.00 0.95 N ATOM 85 H ASN A 103 18.827 4.218 2.694 1.00 1.19 H ATOM 86 HA ASN A 103 20.565 6.253 3.615 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.458 4.985 5.760 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.884 5.374 5.088 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.020 2.885 3.187 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.335 1.562 4.043 1.00 0.89 H ATOM 91 N GLY A 104 21.979 3.664 2.508 1.00 0.91 N ATOM 92 CA GLY A 104 23.237 2.976 2.324 1.00 0.80 C ATOM 93 C GLY A 104 23.613 2.145 3.533 1.00 0.86 C ATOM 94 O GLY A 104 24.778 2.096 3.928 1.00 1.08 O ATOM 95 H GLY A 104 21.241 3.494 1.888 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.151 2.326 1.467 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.011 3.703 2.141 1.00 1.02 H ATOM 98 N CYS A 105 22.618 1.489 4.117 1.00 0.85 N ATOM 99 CA CYS A 105 22.834 0.649 5.286 1.00 1.18 C ATOM 100 C CYS A 105 22.655 -0.817 4.919 1.00 1.14 C ATOM 101 O CYS A 105 23.297 -1.695 5.495 1.00 1.47 O ATOM 102 CB CYS A 105 21.862 1.033 6.404 1.00 1.47 C ATOM 103 SG CYS A 105 22.046 0.049 7.910 1.00 2.45 S ATOM 104 H CYS A 105 21.715 1.570 3.749 1.00 0.74 H ATOM 105 HA CYS A 105 23.846 0.805 5.627 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.019 2.068 6.668 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.850 0.906 6.050 1.00 1.91 H ATOM 108 HG CYS A 105 22.697 -0.635 7.740 1.00 2.81 H ATOM 109 N GLY A 106 21.784 -1.076 3.948 1.00 0.89 N ATOM 110 CA GLY A 106 21.544 -2.436 3.514 1.00 1.13 C ATOM 111 C GLY A 106 21.959 -2.656 2.075 1.00 1.06 C ATOM 112 O GLY A 106 22.247 -3.781 1.669 1.00 1.42 O ATOM 113 H GLY A 106 21.302 -0.333 3.516 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.106 -3.108 4.146 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.492 -2.656 3.613 1.00 1.23 H ATOM 116 N LEU A 107 21.993 -1.571 1.304 1.00 0.76 N ATOM 117 CA LEU A 107 22.377 -1.631 -0.100 1.00 0.98 C ATOM 118 C LEU A 107 22.231 -0.257 -0.752 1.00 0.95 C ATOM 119 O LEU A 107 21.408 0.554 -0.328 1.00 0.88 O ATOM 120 CB LEU A 107 21.534 -2.678 -0.838 1.00 1.54 C ATOM 121 CG LEU A 107 21.741 -2.755 -2.352 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.199 -3.038 -2.685 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.841 -3.823 -2.955 1.00 2.51 C ATOM 124 H LEU A 107 21.755 -0.705 1.692 1.00 0.55 H ATOM 125 HA LEU A 107 23.415 -1.921 -0.140 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.761 -3.648 -0.421 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.498 -2.463 -0.653 1.00 2.34 H ATOM 128 HG LEU A 107 21.472 -1.808 -2.792 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.829 -2.667 -1.891 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.458 -2.545 -3.611 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.343 -4.103 -2.792 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.954 -3.359 -3.361 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.559 -4.531 -2.190 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.370 -4.338 -3.744 1.00 3.04 H ATOM 135 N PHE A 108 23.044 -0.002 -1.776 1.00 1.24 N ATOM 136 CA PHE A 108 23.022 1.278 -2.486 1.00 1.54 C ATOM 137 C PHE A 108 23.645 2.386 -1.644 1.00 1.42 C ATOM 138 O PHE A 108 23.121 3.497 -1.577 1.00 1.71 O ATOM 139 CB PHE A 108 21.594 1.662 -2.875 1.00 1.83 C ATOM 140 CG PHE A 108 20.901 0.622 -3.676 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.415 0.209 -4.890 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.729 0.060 -3.213 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.768 -0.752 -5.631 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.077 -0.902 -3.947 1.00 2.91 C ATOM 145 CZ PHE A 108 19.599 -1.305 -5.157 1.00 2.92 C ATOM 146 H PHE A 108 23.681 -0.689 -2.058 1.00 1.34 H ATOM 147 HA PHE A 108 23.606 1.161 -3.386 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.012 1.829 -1.988 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.617 2.564 -3.463 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.332 0.647 -5.256 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.327 0.381 -2.263 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.174 -1.070 -6.579 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.160 -1.337 -3.580 1.00 3.46 H ATOM 154 HZ PHE A 108 19.096 -2.050 -5.728 1.00 3.26 H ATOM 155 N GLY A 109 24.771 2.079 -1.003 1.00 1.13 N ATOM 156 CA GLY A 109 25.441 3.069 -0.181 1.00 1.27 C ATOM 157 C GLY A 109 26.325 2.451 0.886 1.00 1.05 C ATOM 158 O GLY A 109 27.353 3.022 1.252 1.00 1.35 O ATOM 159 H GLY A 109 25.148 1.179 -1.094 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.050 3.695 -0.817 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.695 3.684 0.300 1.00 1.43 H ATOM 162 N LYS A 110 25.928 1.286 1.390 1.00 0.71 N ATOM 163 CA LYS A 110 26.700 0.602 2.424 1.00 0.90 C ATOM 164 C LYS A 110 28.132 0.345 1.966 1.00 1.16 C ATOM 165 O LYS A 110 29.035 0.173 2.786 1.00 1.61 O ATOM 166 CB LYS A 110 26.033 -0.718 2.809 1.00 0.83 C ATOM 167 CG LYS A 110 25.915 -1.702 1.659 1.00 1.34 C ATOM 168 CD LYS A 110 25.280 -3.004 2.115 1.00 1.95 C ATOM 169 CE LYS A 110 25.130 -3.987 0.965 1.00 2.22 C ATOM 170 NZ LYS A 110 26.443 -4.334 0.354 1.00 2.84 N ATOM 171 H LYS A 110 25.099 0.879 1.063 1.00 0.55 H ATOM 172 HA LYS A 110 26.725 1.243 3.288 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.612 -1.184 3.593 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.040 -0.512 3.181 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.303 -1.265 0.884 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.902 -1.910 1.270 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.903 -3.450 2.876 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.305 -2.791 2.526 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.667 -4.889 1.337 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.498 -3.545 0.209 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.408 -5.291 -0.050 1.00 3.29 H ATOM 182 HZ2 LYS A 110 27.192 -4.303 1.075 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.677 -3.658 -0.402 1.00 2.86 H ATOM 184 N GLY A 111 28.332 0.319 0.653 1.00 1.06 N ATOM 185 CA GLY A 111 29.656 0.081 0.108 1.00 1.46 C ATOM 186 C GLY A 111 29.632 -0.177 -1.386 1.00 1.16 C ATOM 187 O GLY A 111 30.434 0.385 -2.132 1.00 1.82 O ATOM 188 H GLY A 111 27.574 0.461 0.050 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.273 0.946 0.303 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.090 -0.776 0.603 1.00 2.26 H ATOM 191 N GLY A 112 28.711 -1.028 -1.824 1.00 1.66 N ATOM 192 CA GLY A 112 28.603 -1.343 -3.236 1.00 2.42 C ATOM 193 C GLY A 112 29.553 -2.447 -3.656 1.00 3.15 C ATOM 194 O GLY A 112 30.453 -2.175 -4.477 1.00 3.63 O ATOM 195 OXT GLY A 112 29.396 -3.584 -3.163 1.00 3.80 O ATOM 196 H GLY A 112 28.098 -1.445 -1.182 1.00 2.15 H ATOM 197 HA2 GLY A 112 27.591 -1.654 -3.448 1.00 2.60 H ATOM 198 HA3 GLY A 112 28.824 -0.456 -3.810 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 16 ATOM 1 N ASP A 98 11.588 -6.677 -0.261 1.00 3.32 N ATOM 2 CA ASP A 98 11.686 -5.262 -0.707 1.00 2.31 C ATOM 3 C ASP A 98 11.839 -4.319 0.480 1.00 2.05 C ATOM 4 O ASP A 98 11.533 -4.680 1.617 1.00 2.68 O ATOM 5 CB ASP A 98 10.425 -4.913 -1.500 1.00 2.50 C ATOM 6 CG ASP A 98 10.249 -5.793 -2.723 1.00 3.15 C ATOM 7 OD1 ASP A 98 11.143 -5.781 -3.595 1.00 3.59 O ATOM 8 OD2 ASP A 98 9.217 -6.492 -2.808 1.00 3.81 O ATOM 9 H1 ASP A 98 10.772 -6.752 0.379 1.00 3.66 H ATOM 10 H2 ASP A 98 12.474 -6.916 0.230 1.00 3.69 H ATOM 11 H3 ASP A 98 11.455 -7.268 -1.106 1.00 3.70 H ATOM 12 HA ASP A 98 12.548 -5.164 -1.350 1.00 2.14 H ATOM 13 HB2 ASP A 98 9.561 -5.037 -0.864 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.484 -3.885 -1.824 1.00 2.83 H ATOM 15 N ARG A 99 12.316 -3.108 0.210 1.00 1.42 N ATOM 16 CA ARG A 99 12.511 -2.113 1.256 1.00 1.29 C ATOM 17 C ARG A 99 12.534 -0.703 0.672 1.00 0.77 C ATOM 18 O ARG A 99 11.505 -0.033 0.598 1.00 0.82 O ATOM 19 CB ARG A 99 13.805 -2.403 2.027 1.00 1.56 C ATOM 20 CG ARG A 99 14.136 -1.380 3.105 1.00 1.98 C ATOM 21 CD ARG A 99 13.063 -1.323 4.184 1.00 2.97 C ATOM 22 NE ARG A 99 11.799 -0.786 3.686 1.00 2.80 N ATOM 23 CZ ARG A 99 11.638 0.467 3.264 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.646 1.331 3.323 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.462 0.863 2.796 1.00 3.12 N ATOM 26 H ARG A 99 12.543 -2.880 -0.714 1.00 1.41 H ATOM 27 HA ARG A 99 11.683 -2.186 1.932 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.713 -3.370 2.500 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.627 -2.436 1.328 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.076 -1.647 3.565 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.226 -0.407 2.646 1.00 1.97 H ATOM 32 HD2 ARG A 99 12.893 -2.325 4.553 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.418 -0.695 4.991 1.00 3.45 H ATOM 34 HE ARG A 99 11.032 -1.394 3.652 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.531 1.043 3.685 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.518 2.269 3.002 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.697 0.220 2.760 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.341 1.804 2.480 1.00 3.62 H ATOM 39 N GLY A 100 13.713 -0.259 0.263 1.00 0.77 N ATOM 40 CA GLY A 100 13.855 1.071 -0.304 1.00 1.22 C ATOM 41 C GLY A 100 14.917 1.878 0.412 1.00 1.13 C ATOM 42 O GLY A 100 14.648 2.962 0.928 1.00 1.40 O ATOM 43 H GLY A 100 14.496 -0.839 0.352 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.123 0.982 -1.347 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.910 1.589 -0.226 1.00 1.68 H ATOM 46 N TRP A 101 16.125 1.331 0.454 1.00 0.82 N ATOM 47 CA TRP A 101 17.244 1.980 1.123 1.00 0.75 C ATOM 48 C TRP A 101 17.658 3.266 0.413 1.00 0.98 C ATOM 49 O TRP A 101 17.068 4.322 0.638 1.00 1.30 O ATOM 50 CB TRP A 101 18.415 1.004 1.215 1.00 0.53 C ATOM 51 CG TRP A 101 18.042 -0.278 1.857 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.661 -0.485 3.141 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.982 -1.532 1.209 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.383 -1.816 3.338 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.572 -2.481 2.154 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.247 -1.932 -0.088 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.419 -3.822 1.831 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.098 -3.260 -0.419 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.686 -4.196 0.537 1.00 1.53 C ATOM 60 H TRP A 101 16.267 0.458 0.033 1.00 0.74 H ATOM 61 HA TRP A 101 16.933 2.232 2.123 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.769 0.773 0.224 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.212 1.450 1.789 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.605 0.290 3.881 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.093 -2.221 4.181 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.565 -1.214 -0.825 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.098 -4.549 2.557 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.301 -3.586 -1.426 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.587 -5.227 0.236 1.00 1.82 H ATOM 70 N GLY A 102 18.699 3.189 -0.414 1.00 1.01 N ATOM 71 CA GLY A 102 19.188 4.371 -1.096 1.00 1.40 C ATOM 72 C GLY A 102 20.171 5.108 -0.214 1.00 1.46 C ATOM 73 O GLY A 102 21.170 5.652 -0.682 1.00 1.92 O ATOM 74 H GLY A 102 19.157 2.334 -0.536 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.681 4.074 -2.013 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.360 5.022 -1.327 1.00 1.61 H ATOM 77 N ASN A 103 19.881 5.085 1.084 1.00 1.23 N ATOM 78 CA ASN A 103 20.723 5.706 2.090 1.00 1.39 C ATOM 79 C ASN A 103 22.047 4.959 2.251 1.00 1.23 C ATOM 80 O ASN A 103 22.923 5.389 3.001 1.00 1.44 O ATOM 81 CB ASN A 103 19.981 5.742 3.432 1.00 1.49 C ATOM 82 CG ASN A 103 19.476 4.375 3.918 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.889 4.288 4.997 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.683 3.300 3.144 1.00 0.95 N ATOM 85 H ASN A 103 19.079 4.615 1.377 1.00 1.19 H ATOM 86 HA ASN A 103 20.927 6.718 1.776 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.646 6.136 4.185 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.131 6.401 3.339 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.150 3.412 2.298 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.347 2.433 3.460 1.00 0.89 H ATOM 91 N GLY A 104 22.185 3.834 1.551 1.00 0.91 N ATOM 92 CA GLY A 104 23.396 3.050 1.642 1.00 0.80 C ATOM 93 C GLY A 104 23.671 2.584 3.056 1.00 0.86 C ATOM 94 O GLY A 104 24.818 2.559 3.501 1.00 1.08 O ATOM 95 H GLY A 104 21.458 3.531 0.974 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.293 2.185 1.004 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.227 3.646 1.300 1.00 1.02 H ATOM 98 N CYS A 105 22.611 2.211 3.761 1.00 0.85 N ATOM 99 CA CYS A 105 22.725 1.736 5.131 1.00 1.18 C ATOM 100 C CYS A 105 22.456 0.239 5.194 1.00 1.14 C ATOM 101 O CYS A 105 22.999 -0.465 6.045 1.00 1.47 O ATOM 102 CB CYS A 105 21.747 2.485 6.038 1.00 1.47 C ATOM 103 SG CYS A 105 21.810 1.974 7.772 1.00 2.45 S ATOM 104 H CYS A 105 21.725 2.252 3.344 1.00 0.74 H ATOM 105 HA CYS A 105 23.734 1.925 5.465 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.967 3.541 6.000 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.740 2.320 5.683 1.00 1.91 H ATOM 108 HG CYS A 105 21.318 1.154 7.858 1.00 2.81 H ATOM 109 N GLY A 106 21.617 -0.243 4.280 1.00 0.89 N ATOM 110 CA GLY A 106 21.298 -1.655 4.244 1.00 1.13 C ATOM 111 C GLY A 106 21.753 -2.311 2.957 1.00 1.06 C ATOM 112 O GLY A 106 21.990 -3.518 2.917 1.00 1.42 O ATOM 113 H GLY A 106 21.217 0.365 3.619 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.786 -2.144 5.075 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.230 -1.777 4.342 1.00 1.23 H ATOM 116 N LEU A 107 21.879 -1.508 1.904 1.00 0.76 N ATOM 117 CA LEU A 107 22.312 -2.000 0.603 1.00 0.98 C ATOM 118 C LEU A 107 22.288 -0.876 -0.430 1.00 0.95 C ATOM 119 O LEU A 107 21.521 0.078 -0.302 1.00 0.88 O ATOM 120 CB LEU A 107 21.426 -3.171 0.157 1.00 1.54 C ATOM 121 CG LEU A 107 21.690 -3.709 -1.250 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.136 -4.159 -1.395 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.741 -4.858 -1.564 1.00 2.51 C ATOM 124 H LEU A 107 21.678 -0.554 2.005 1.00 0.55 H ATOM 125 HA LEU A 107 23.327 -2.347 0.709 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.564 -3.983 0.855 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.401 -2.852 0.207 1.00 2.34 H ATOM 128 HG LEU A 107 21.508 -2.923 -1.967 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.187 -5.236 -1.322 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.732 -3.718 -0.610 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.516 -3.846 -2.355 1.00 2.56 H ATOM 132 HD21 LEU A 107 19.944 -4.877 -0.837 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.282 -5.792 -1.530 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.325 -4.720 -2.552 1.00 3.04 H ATOM 135 N PHE A 108 23.143 -0.990 -1.444 1.00 1.24 N ATOM 136 CA PHE A 108 23.241 0.017 -2.501 1.00 1.54 C ATOM 137 C PHE A 108 23.930 1.280 -1.993 1.00 1.42 C ATOM 138 O PHE A 108 23.544 2.394 -2.349 1.00 1.71 O ATOM 139 CB PHE A 108 21.858 0.369 -3.050 1.00 1.83 C ATOM 140 CG PHE A 108 21.101 -0.812 -3.537 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.613 -1.612 -4.540 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.872 -1.117 -2.991 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.908 -2.703 -4.990 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.160 -2.206 -3.437 1.00 2.91 C ATOM 145 CZ PHE A 108 19.682 -2.997 -4.436 1.00 2.92 C ATOM 146 H PHE A 108 23.732 -1.771 -1.482 1.00 1.34 H ATOM 147 HA PHE A 108 23.834 -0.401 -3.299 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.270 0.835 -2.280 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.966 1.050 -3.878 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.576 -1.375 -4.969 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.471 -0.491 -2.207 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.314 -3.325 -5.774 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.199 -2.440 -3.005 1.00 3.46 H ATOM 154 HZ PHE A 108 19.134 -3.842 -4.782 1.00 3.26 H ATOM 155 N GLY A 109 24.954 1.103 -1.164 1.00 1.13 N ATOM 156 CA GLY A 109 25.676 2.244 -0.632 1.00 1.27 C ATOM 157 C GLY A 109 26.491 1.909 0.603 1.00 1.05 C ATOM 158 O GLY A 109 27.565 2.471 0.812 1.00 1.35 O ATOM 159 H GLY A 109 25.224 0.194 -0.915 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.342 2.619 -1.395 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.966 3.017 -0.382 1.00 1.43 H ATOM 162 N LYS A 110 25.982 0.996 1.427 1.00 0.71 N ATOM 163 CA LYS A 110 26.681 0.602 2.647 1.00 0.90 C ATOM 164 C LYS A 110 28.089 0.101 2.341 1.00 1.16 C ATOM 165 O LYS A 110 28.967 0.120 3.202 1.00 1.61 O ATOM 166 CB LYS A 110 25.899 -0.479 3.394 1.00 0.83 C ATOM 167 CG LYS A 110 25.701 -1.755 2.596 1.00 1.34 C ATOM 168 CD LYS A 110 24.970 -2.806 3.414 1.00 1.95 C ATOM 169 CE LYS A 110 24.733 -4.075 2.611 1.00 2.22 C ATOM 170 NZ LYS A 110 26.010 -4.690 2.153 1.00 2.84 N ATOM 171 H LYS A 110 25.120 0.582 1.212 1.00 0.55 H ATOM 172 HA LYS A 110 26.756 1.473 3.276 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.428 -0.727 4.302 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.926 -0.087 3.652 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.121 -1.532 1.713 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.668 -2.143 2.308 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.564 -3.048 4.283 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.019 -2.404 3.728 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.205 -4.784 3.231 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.130 -3.833 1.749 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.222 -4.390 1.180 1.00 3.29 H ATOM 182 HZ2 LYS A 110 25.937 -5.727 2.177 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.792 -4.395 2.774 1.00 2.86 H ATOM 184 N GLY A 111 28.296 -0.347 1.108 1.00 1.06 N ATOM 185 CA GLY A 111 29.598 -0.846 0.708 1.00 1.46 C ATOM 186 C GLY A 111 29.932 -0.510 -0.732 1.00 1.16 C ATOM 187 O GLY A 111 30.908 0.190 -1.003 1.00 1.82 O ATOM 188 H GLY A 111 27.558 -0.338 0.465 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.351 -0.413 1.351 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.613 -1.920 0.828 1.00 2.26 H ATOM 191 N GLY A 112 29.119 -1.009 -1.657 1.00 1.66 N ATOM 192 CA GLY A 112 29.350 -0.747 -3.066 1.00 2.42 C ATOM 193 C GLY A 112 28.774 0.583 -3.510 1.00 3.15 C ATOM 194 O GLY A 112 27.992 0.596 -4.484 1.00 3.63 O ATOM 195 OXT GLY A 112 29.105 1.611 -2.884 1.00 3.80 O ATOM 196 H GLY A 112 28.357 -1.561 -1.382 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.414 -0.747 -3.252 1.00 2.60 H ATOM 198 HA3 GLY A 112 28.895 -1.536 -3.647 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 17 ATOM 1 N ASP A 98 9.347 -5.141 -2.062 1.00 3.32 N ATOM 2 CA ASP A 98 10.587 -4.324 -2.116 1.00 2.31 C ATOM 3 C ASP A 98 10.903 -3.708 -0.757 1.00 2.05 C ATOM 4 O ASP A 98 10.042 -3.645 0.121 1.00 2.68 O ATOM 5 CB ASP A 98 10.402 -3.224 -3.164 1.00 2.50 C ATOM 6 CG ASP A 98 10.135 -3.784 -4.548 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.998 -4.523 -5.065 1.00 3.59 O ATOM 8 OD2 ASP A 98 9.062 -3.483 -5.113 1.00 3.81 O ATOM 9 H1 ASP A 98 9.407 -5.754 -1.225 1.00 3.66 H ATOM 10 H2 ASP A 98 9.299 -5.702 -2.936 1.00 3.69 H ATOM 11 H3 ASP A 98 8.541 -4.488 -1.990 1.00 3.70 H ATOM 12 HA ASP A 98 11.407 -4.962 -2.412 1.00 2.14 H ATOM 13 HB2 ASP A 98 9.565 -2.604 -2.881 1.00 2.65 H ATOM 14 HB3 ASP A 98 11.296 -2.620 -3.205 1.00 2.83 H ATOM 15 N ARG A 99 12.141 -3.255 -0.591 1.00 1.42 N ATOM 16 CA ARG A 99 12.569 -2.643 0.662 1.00 1.29 C ATOM 17 C ARG A 99 12.583 -1.121 0.551 1.00 0.77 C ATOM 18 O ARG A 99 11.583 -0.461 0.834 1.00 0.82 O ATOM 19 CB ARG A 99 13.949 -3.176 1.067 1.00 1.56 C ATOM 20 CG ARG A 99 14.521 -2.543 2.329 1.00 1.98 C ATOM 21 CD ARG A 99 13.640 -2.799 3.545 1.00 2.97 C ATOM 22 NE ARG A 99 12.355 -2.106 3.459 1.00 2.80 N ATOM 23 CZ ARG A 99 12.223 -0.781 3.470 1.00 3.29 C ATOM 24 NH1 ARG A 99 13.288 0.000 3.607 1.00 4.17 N ATOM 25 NH2 ARG A 99 11.020 -0.234 3.357 1.00 3.12 N ATOM 26 H ARG A 99 12.782 -3.333 -1.328 1.00 1.41 H ATOM 27 HA ARG A 99 11.857 -2.920 1.416 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.873 -4.241 1.230 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.642 -2.999 0.257 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.499 -2.961 2.517 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.608 -1.478 2.176 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.457 -3.861 3.623 1.00 3.53 H ATOM 33 HD3 ARG A 99 14.163 -2.456 4.429 1.00 3.45 H ATOM 34 HE ARG A 99 11.550 -2.657 3.376 1.00 2.51 H ATOM 35 HH11 ARG A 99 14.198 -0.405 3.704 1.00 4.32 H ATOM 36 HH12 ARG A 99 13.181 0.994 3.613 1.00 4.74 H ATOM 37 HH21 ARG A 99 10.214 -0.817 3.264 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.921 0.761 3.366 1.00 3.62 H ATOM 39 N GLY A 100 13.717 -0.570 0.145 1.00 0.77 N ATOM 40 CA GLY A 100 13.837 0.872 0.011 1.00 1.22 C ATOM 41 C GLY A 100 14.869 1.445 0.960 1.00 1.13 C ATOM 42 O GLY A 100 14.532 2.174 1.894 1.00 1.40 O ATOM 43 H GLY A 100 14.481 -1.147 -0.061 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.123 1.107 -1.003 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.879 1.323 0.221 1.00 1.68 H ATOM 46 N TRP A 101 16.127 1.099 0.726 1.00 0.82 N ATOM 47 CA TRP A 101 17.223 1.561 1.567 1.00 0.75 C ATOM 48 C TRP A 101 17.481 3.055 1.387 1.00 0.98 C ATOM 49 O TRP A 101 16.804 3.883 1.998 1.00 1.30 O ATOM 50 CB TRP A 101 18.478 0.747 1.257 1.00 0.53 C ATOM 51 CG TRP A 101 18.245 -0.714 1.358 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.934 -1.429 2.464 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.273 -1.624 0.278 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.780 -2.756 2.135 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.985 -2.896 0.787 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.524 -1.471 -1.073 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.938 -4.022 -0.026 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.481 -2.581 -1.887 1.00 1.33 C ATOM 59 CH2 TRP A 101 18.189 -3.846 -1.364 1.00 1.53 C ATOM 60 H TRP A 101 16.325 0.505 -0.028 1.00 0.74 H ATOM 61 HA TRP A 101 16.950 1.386 2.594 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.799 0.949 0.249 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.262 1.012 1.949 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.837 -1.005 3.445 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.558 -3.478 2.758 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.752 -0.500 -1.480 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.709 -4.997 0.368 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.675 -2.478 -2.943 1.00 1.51 H ATOM 69 HH2 TRP A 101 18.171 -4.689 -2.036 1.00 1.82 H ATOM 70 N GLY A 102 18.483 3.403 0.583 1.00 1.01 N ATOM 71 CA GLY A 102 18.824 4.799 0.390 1.00 1.40 C ATOM 72 C GLY A 102 19.786 5.250 1.465 1.00 1.46 C ATOM 73 O GLY A 102 20.700 6.037 1.219 1.00 1.92 O ATOM 74 H GLY A 102 19.013 2.710 0.144 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.285 4.922 -0.580 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.928 5.398 0.441 1.00 1.61 H ATOM 77 N ASN A 103 19.582 4.706 2.660 1.00 1.23 N ATOM 78 CA ASN A 103 20.421 4.988 3.810 1.00 1.39 C ATOM 79 C ASN A 103 21.812 4.374 3.648 1.00 1.23 C ATOM 80 O ASN A 103 22.686 4.570 4.493 1.00 1.44 O ATOM 81 CB ASN A 103 19.759 4.437 5.078 1.00 1.49 C ATOM 82 CG ASN A 103 19.418 2.940 5.019 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.906 2.390 5.994 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.682 2.266 3.891 1.00 0.95 N ATOM 85 H ASN A 103 18.845 4.076 2.769 1.00 1.19 H ATOM 86 HA ASN A 103 20.518 6.058 3.900 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.425 4.593 5.913 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.844 4.984 5.256 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.083 2.737 3.141 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.451 1.311 3.859 1.00 0.89 H ATOM 91 N GLY A 104 22.009 3.622 2.568 1.00 0.91 N ATOM 92 CA GLY A 104 23.285 2.986 2.332 1.00 0.80 C ATOM 93 C GLY A 104 23.673 2.056 3.463 1.00 0.86 C ATOM 94 O GLY A 104 24.828 2.023 3.885 1.00 1.08 O ATOM 95 H GLY A 104 21.279 3.488 1.931 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.218 2.414 1.418 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.042 3.745 2.223 1.00 1.02 H ATOM 98 N CYS A 105 22.699 1.298 3.950 1.00 0.85 N ATOM 99 CA CYS A 105 22.926 0.354 5.035 1.00 1.18 C ATOM 100 C CYS A 105 22.808 -1.074 4.524 1.00 1.14 C ATOM 101 O CYS A 105 23.482 -1.980 5.016 1.00 1.47 O ATOM 102 CB CYS A 105 21.925 0.593 6.167 1.00 1.47 C ATOM 103 SG CYS A 105 22.010 2.247 6.893 1.00 2.45 S ATOM 104 H CYS A 105 21.802 1.371 3.565 1.00 0.74 H ATOM 105 HA CYS A 105 23.927 0.512 5.409 1.00 1.39 H ATOM 106 HB2 CYS A 105 20.923 0.453 5.787 1.00 1.53 H ATOM 107 HB3 CYS A 105 22.108 -0.123 6.955 1.00 1.91 H ATOM 108 HG CYS A 105 21.825 2.884 6.200 1.00 2.81 H ATOM 109 N GLY A 106 21.951 -1.269 3.525 1.00 0.89 N ATOM 110 CA GLY A 106 21.768 -2.587 2.955 1.00 1.13 C ATOM 111 C GLY A 106 22.208 -2.645 1.508 1.00 1.06 C ATOM 112 O GLY A 106 22.545 -3.712 0.996 1.00 1.42 O ATOM 113 H GLY A 106 21.445 -0.506 3.165 1.00 0.66 H ATOM 114 HA2 GLY A 106 22.347 -3.298 3.526 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.723 -2.854 3.015 1.00 1.23 H ATOM 116 N LEU A 107 22.210 -1.487 0.852 1.00 0.76 N ATOM 117 CA LEU A 107 22.616 -1.389 -0.544 1.00 0.98 C ATOM 118 C LEU A 107 22.431 0.038 -1.053 1.00 0.95 C ATOM 119 O LEU A 107 21.564 0.769 -0.575 1.00 0.88 O ATOM 120 CB LEU A 107 21.819 -2.382 -1.399 1.00 1.54 C ATOM 121 CG LEU A 107 22.042 -2.288 -2.909 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.514 -2.463 -3.251 1.00 2.37 C ATOM 123 CD2 LEU A 107 21.201 -3.330 -3.634 1.00 2.51 C ATOM 124 H LEU A 107 21.935 -0.674 1.321 1.00 0.55 H ATOM 125 HA LEU A 107 23.662 -1.638 -0.595 1.00 1.00 H ATOM 126 HB2 LEU A 107 22.081 -3.381 -1.085 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.774 -2.228 -1.204 1.00 2.34 H ATOM 128 HG LEU A 107 21.729 -1.314 -3.251 1.00 1.44 H ATOM 129 HD11 LEU A 107 24.115 -2.256 -2.379 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.784 -1.780 -4.043 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.691 -3.478 -3.577 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.751 -2.885 -4.509 1.00 2.74 H ATOM 133 HD22 LEU A 107 20.426 -3.691 -2.974 1.00 3.02 H ATOM 134 HD23 LEU A 107 21.830 -4.155 -3.935 1.00 3.04 H ATOM 135 N PHE A 108 23.262 0.431 -2.017 1.00 1.24 N ATOM 136 CA PHE A 108 23.211 1.776 -2.592 1.00 1.54 C ATOM 137 C PHE A 108 23.770 2.809 -1.618 1.00 1.42 C ATOM 138 O PHE A 108 23.164 3.858 -1.395 1.00 1.71 O ATOM 139 CB PHE A 108 21.779 2.147 -2.978 1.00 1.83 C ATOM 140 CG PHE A 108 21.145 1.170 -3.898 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.700 0.906 -5.135 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.989 0.516 -3.524 1.00 2.54 C ATOM 143 CE1 PHE A 108 21.110 0.002 -5.986 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.394 -0.389 -4.369 1.00 2.91 C ATOM 145 CZ PHE A 108 19.956 -0.645 -5.600 1.00 2.92 C ATOM 146 H PHE A 108 23.935 -0.198 -2.347 1.00 1.34 H ATOM 147 HA PHE A 108 23.821 1.775 -3.481 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.169 2.203 -2.094 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.781 3.105 -3.472 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.605 1.416 -5.432 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.556 0.721 -2.555 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.548 -0.200 -6.952 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.489 -0.896 -4.070 1.00 3.46 H ATOM 154 HZ PHE A 108 19.496 -1.345 -6.257 1.00 3.26 H ATOM 155 N GLY A 109 24.932 2.511 -1.044 1.00 1.13 N ATOM 156 CA GLY A 109 25.547 3.431 -0.106 1.00 1.27 C ATOM 157 C GLY A 109 26.423 2.735 0.918 1.00 1.05 C ATOM 158 O GLY A 109 27.417 3.298 1.378 1.00 1.35 O ATOM 159 H GLY A 109 25.373 1.663 -1.259 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.153 4.135 -0.658 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.770 3.973 0.411 1.00 1.43 H ATOM 162 N LYS A 110 26.056 1.509 1.282 1.00 0.71 N ATOM 163 CA LYS A 110 26.821 0.745 2.264 1.00 0.90 C ATOM 164 C LYS A 110 28.272 0.582 1.826 1.00 1.16 C ATOM 165 O LYS A 110 29.166 0.408 2.654 1.00 1.61 O ATOM 166 CB LYS A 110 26.193 -0.629 2.484 1.00 0.83 C ATOM 167 CG LYS A 110 26.147 -1.486 1.232 1.00 1.34 C ATOM 168 CD LYS A 110 25.566 -2.857 1.525 1.00 1.95 C ATOM 169 CE LYS A 110 25.489 -3.713 0.270 1.00 2.22 C ATOM 170 NZ LYS A 110 26.830 -3.927 -0.339 1.00 2.84 N ATOM 171 H LYS A 110 25.253 1.111 0.885 1.00 0.55 H ATOM 172 HA LYS A 110 26.800 1.290 3.191 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.763 -1.157 3.235 1.00 1.18 H ATOM 174 HB3 LYS A 110 25.181 -0.497 2.841 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.533 -0.996 0.492 1.00 1.77 H ATOM 176 HG3 LYS A 110 27.151 -1.604 0.850 1.00 1.78 H ATOM 177 HD2 LYS A 110 26.195 -3.355 2.248 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.574 -2.736 1.931 1.00 2.62 H ATOM 179 HE2 LYS A 110 25.065 -4.671 0.528 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.852 -3.218 -0.448 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.816 -4.770 -0.949 1.00 3.29 H ATOM 182 HZ2 LYS A 110 27.544 -4.064 0.405 1.00 3.36 H ATOM 183 HZ3 LYS A 110 27.099 -3.102 -0.912 1.00 2.86 H ATOM 184 N GLY A 111 28.496 0.638 0.520 1.00 1.06 N ATOM 185 CA GLY A 111 29.839 0.493 -0.008 1.00 1.46 C ATOM 186 C GLY A 111 29.860 -0.193 -1.360 1.00 1.16 C ATOM 187 O GLY A 111 29.432 0.379 -2.362 1.00 1.82 O ATOM 188 H GLY A 111 27.744 0.778 -0.088 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.283 1.472 -0.106 1.00 1.95 H ATOM 190 HA3 GLY A 111 30.425 -0.089 0.688 1.00 2.26 H ATOM 191 N GLY A 112 30.358 -1.425 -1.388 1.00 1.66 N ATOM 192 CA GLY A 112 30.425 -2.171 -2.631 1.00 2.42 C ATOM 193 C GLY A 112 29.998 -3.616 -2.463 1.00 3.15 C ATOM 194 O GLY A 112 29.501 -4.206 -3.445 1.00 3.63 O ATOM 195 OXT GLY A 112 30.163 -4.159 -1.350 1.00 3.80 O ATOM 196 H GLY A 112 30.684 -1.831 -0.557 1.00 2.15 H ATOM 197 HA2 GLY A 112 29.779 -1.698 -3.355 1.00 2.60 H ATOM 198 HA3 GLY A 112 31.439 -2.146 -2.999 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 18 ATOM 1 N ASP A 98 9.730 -4.896 0.922 1.00 3.32 N ATOM 2 CA ASP A 98 10.759 -5.173 1.960 1.00 2.31 C ATOM 3 C ASP A 98 11.135 -3.904 2.716 1.00 2.05 C ATOM 4 O ASP A 98 10.858 -3.773 3.908 1.00 2.68 O ATOM 5 CB ASP A 98 11.992 -5.767 1.276 1.00 2.50 C ATOM 6 CG ASP A 98 11.683 -7.059 0.546 1.00 3.15 C ATOM 7 OD1 ASP A 98 11.236 -8.020 1.205 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.888 -7.108 -0.685 1.00 3.81 O ATOM 9 H1 ASP A 98 9.406 -5.809 0.545 1.00 3.66 H ATOM 10 H2 ASP A 98 10.177 -4.320 0.180 1.00 3.69 H ATOM 11 H3 ASP A 98 8.950 -4.382 1.378 1.00 3.70 H ATOM 12 HA ASP A 98 10.357 -5.893 2.657 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.377 -5.055 0.562 1.00 2.65 H ATOM 14 HB3 ASP A 98 12.747 -5.968 2.022 1.00 2.83 H ATOM 15 N ARG A 99 11.771 -2.970 2.015 1.00 1.42 N ATOM 16 CA ARG A 99 12.186 -1.710 2.620 1.00 1.29 C ATOM 17 C ARG A 99 12.253 -0.598 1.578 1.00 0.77 C ATOM 18 O ARG A 99 11.276 0.118 1.358 1.00 0.82 O ATOM 19 CB ARG A 99 13.539 -1.883 3.322 1.00 1.56 C ATOM 20 CG ARG A 99 14.097 -0.603 3.932 1.00 1.98 C ATOM 21 CD ARG A 99 13.180 -0.037 5.008 1.00 2.97 C ATOM 22 NE ARG A 99 11.917 0.455 4.464 1.00 2.80 N ATOM 23 CZ ARG A 99 11.820 1.498 3.641 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.902 2.189 3.300 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.636 1.860 3.168 1.00 3.12 N ATOM 26 H ARG A 99 11.964 -3.132 1.069 1.00 1.41 H ATOM 27 HA ARG A 99 11.449 -1.444 3.352 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.426 -2.608 4.114 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.256 -2.258 2.608 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.059 -0.817 4.372 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.216 0.132 3.150 1.00 1.97 H ATOM 32 HD2 ARG A 99 12.969 -0.818 5.726 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.691 0.778 5.503 1.00 3.45 H ATOM 34 HE ARG A 99 11.100 -0.022 4.714 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.797 1.930 3.662 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.820 2.970 2.681 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.816 1.349 3.430 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.561 2.643 2.551 1.00 3.62 H ATOM 39 N GLY A 100 13.406 -0.456 0.943 1.00 0.77 N ATOM 40 CA GLY A 100 13.579 0.577 -0.064 1.00 1.22 C ATOM 41 C GLY A 100 14.695 1.536 0.296 1.00 1.13 C ATOM 42 O GLY A 100 14.458 2.724 0.515 1.00 1.40 O ATOM 43 H GLY A 100 14.148 -1.055 1.164 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.810 0.109 -1.010 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.658 1.131 -0.160 1.00 1.68 H ATOM 46 N TRP A 101 15.910 1.010 0.373 1.00 0.82 N ATOM 47 CA TRP A 101 17.075 1.807 0.727 1.00 0.75 C ATOM 48 C TRP A 101 17.441 2.795 -0.380 1.00 0.98 C ATOM 49 O TRP A 101 16.858 3.877 -0.467 1.00 1.30 O ATOM 50 CB TRP A 101 18.248 0.882 1.044 1.00 0.53 C ATOM 51 CG TRP A 101 17.911 -0.134 2.069 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.594 0.071 3.369 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.829 -1.527 1.846 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.329 -1.131 3.983 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.469 -2.131 3.056 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.035 -2.312 0.727 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.307 -3.507 3.173 1.00 1.48 C ATOM 58 CZ3 TRP A 101 17.879 -3.676 0.833 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.515 -4.266 2.050 1.00 1.53 C ATOM 60 H TRP A 101 16.025 0.052 0.200 1.00 0.74 H ATOM 61 HA TRP A 101 16.836 2.369 1.616 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.538 0.351 0.153 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.081 1.465 1.407 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.568 1.038 3.833 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.082 -1.250 4.922 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.316 -1.863 -0.211 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.024 -3.967 4.104 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.037 -4.303 -0.031 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.409 -5.339 2.090 1.00 1.82 H ATOM 70 N GLY A 102 18.431 2.446 -1.198 1.00 1.01 N ATOM 71 CA GLY A 102 18.871 3.344 -2.248 1.00 1.40 C ATOM 72 C GLY A 102 19.904 4.305 -1.706 1.00 1.46 C ATOM 73 O GLY A 102 20.868 4.661 -2.386 1.00 1.92 O ATOM 74 H GLY A 102 18.885 1.591 -1.068 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.306 2.765 -3.052 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.028 3.903 -2.621 1.00 1.61 H ATOM 77 N ASN A 103 19.701 4.693 -0.451 1.00 1.23 N ATOM 78 CA ASN A 103 20.603 5.586 0.254 1.00 1.39 C ATOM 79 C ASN A 103 21.939 4.907 0.557 1.00 1.23 C ATOM 80 O ASN A 103 22.858 5.537 1.080 1.00 1.44 O ATOM 81 CB ASN A 103 19.950 6.052 1.561 1.00 1.49 C ATOM 82 CG ASN A 103 19.491 4.913 2.483 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.979 5.175 3.571 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.655 3.647 2.073 1.00 0.95 N ATOM 85 H ASN A 103 18.923 4.352 0.025 1.00 1.19 H ATOM 86 HA ASN A 103 20.782 6.446 -0.374 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.658 6.656 2.106 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.088 6.658 1.320 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.062 3.482 1.205 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.349 2.926 2.666 1.00 0.89 H ATOM 91 N GLY A 104 22.037 3.618 0.240 1.00 0.91 N ATOM 92 CA GLY A 104 23.253 2.882 0.499 1.00 0.80 C ATOM 93 C GLY A 104 23.619 2.882 1.968 1.00 0.86 C ATOM 94 O GLY A 104 24.790 3.002 2.328 1.00 1.08 O ATOM 95 H GLY A 104 21.275 3.160 -0.165 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.112 1.863 0.174 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.059 3.327 -0.064 1.00 1.02 H ATOM 98 N CYS A 105 22.607 2.742 2.816 1.00 0.85 N ATOM 99 CA CYS A 105 22.811 2.719 4.258 1.00 1.18 C ATOM 100 C CYS A 105 22.557 1.320 4.802 1.00 1.14 C ATOM 101 O CYS A 105 23.167 0.905 5.787 1.00 1.47 O ATOM 102 CB CYS A 105 21.883 3.725 4.942 1.00 1.47 C ATOM 103 SG CYS A 105 22.055 3.783 6.742 1.00 2.45 S ATOM 104 H CYS A 105 21.701 2.647 2.462 1.00 0.74 H ATOM 105 HA CYS A 105 23.836 2.992 4.455 1.00 1.39 H ATOM 106 HB2 CYS A 105 22.093 4.714 4.562 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.858 3.469 4.717 1.00 1.91 H ATOM 108 HG CYS A 105 22.415 4.641 6.977 1.00 2.81 H ATOM 109 N GLY A 106 21.656 0.592 4.147 1.00 0.89 N ATOM 110 CA GLY A 106 21.345 -0.756 4.574 1.00 1.13 C ATOM 111 C GLY A 106 21.720 -1.785 3.529 1.00 1.06 C ATOM 112 O GLY A 106 21.949 -2.951 3.849 1.00 1.42 O ATOM 113 H GLY A 106 21.203 0.973 3.361 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.887 -0.968 5.484 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.285 -0.826 4.771 1.00 1.23 H ATOM 116 N LEU A 107 21.787 -1.346 2.274 1.00 0.76 N ATOM 117 CA LEU A 107 22.141 -2.223 1.165 1.00 0.98 C ATOM 118 C LEU A 107 22.051 -1.470 -0.160 1.00 0.95 C ATOM 119 O LEU A 107 21.276 -0.523 -0.292 1.00 0.88 O ATOM 120 CB LEU A 107 21.234 -3.459 1.154 1.00 1.54 C ATOM 121 CG LEU A 107 21.408 -4.404 -0.037 1.00 1.63 C ATOM 122 CD1 LEU A 107 22.847 -4.893 -0.134 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.453 -5.584 0.078 1.00 2.51 C ATOM 124 H LEU A 107 21.596 -0.405 2.088 1.00 0.55 H ATOM 125 HA LEU A 107 23.162 -2.536 1.313 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.421 -4.022 2.057 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.213 -3.124 1.170 1.00 2.34 H ATOM 128 HG LEU A 107 21.171 -3.872 -0.945 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.488 -4.249 0.450 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.164 -4.876 -1.165 1.00 2.76 H ATOM 131 HD13 LEU A 107 22.910 -5.902 0.246 1.00 2.56 H ATOM 132 HD21 LEU A 107 21.003 -6.467 0.366 1.00 2.74 H ATOM 133 HD22 LEU A 107 19.973 -5.753 -0.875 1.00 3.02 H ATOM 134 HD23 LEU A 107 19.702 -5.369 0.825 1.00 3.04 H ATOM 135 N PHE A 108 22.859 -1.891 -1.131 1.00 1.24 N ATOM 136 CA PHE A 108 22.889 -1.257 -2.449 1.00 1.54 C ATOM 137 C PHE A 108 23.587 0.099 -2.390 1.00 1.42 C ATOM 138 O PHE A 108 23.128 1.069 -2.996 1.00 1.71 O ATOM 139 CB PHE A 108 21.476 -1.090 -3.007 1.00 1.83 C ATOM 140 CG PHE A 108 20.712 -2.361 -3.068 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.180 -3.428 -3.809 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.520 -2.485 -2.385 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.469 -4.603 -3.866 1.00 2.93 C ATOM 144 CE2 PHE A 108 18.804 -3.657 -2.436 1.00 2.91 C ATOM 145 CZ PHE A 108 19.281 -4.715 -3.178 1.00 2.92 C ATOM 146 H PHE A 108 23.456 -2.647 -0.957 1.00 1.34 H ATOM 147 HA PHE A 108 23.447 -1.903 -3.110 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.921 -0.408 -2.388 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.532 -0.695 -4.008 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.113 -3.334 -4.346 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.154 -1.651 -1.804 1.00 2.87 H ATOM 152 HE1 PHE A 108 20.841 -5.434 -4.448 1.00 3.48 H ATOM 153 HE2 PHE A 108 17.872 -3.747 -1.899 1.00 3.46 H ATOM 154 HZ PHE A 108 18.728 -5.623 -3.220 1.00 3.26 H ATOM 155 N GLY A 109 24.698 0.160 -1.665 1.00 1.13 N ATOM 156 CA GLY A 109 25.435 1.406 -1.552 1.00 1.27 C ATOM 157 C GLY A 109 26.310 1.467 -0.315 1.00 1.05 C ATOM 158 O GLY A 109 27.379 2.078 -0.337 1.00 1.35 O ATOM 159 H GLY A 109 25.022 -0.643 -1.206 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.061 1.519 -2.425 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.731 2.223 -1.523 1.00 1.43 H ATOM 162 N LYS A 110 25.860 0.840 0.768 1.00 0.71 N ATOM 163 CA LYS A 110 26.620 0.839 2.017 1.00 0.90 C ATOM 164 C LYS A 110 28.023 0.278 1.809 1.00 1.16 C ATOM 165 O LYS A 110 28.936 0.559 2.585 1.00 1.61 O ATOM 166 CB LYS A 110 25.892 0.030 3.090 1.00 0.83 C ATOM 167 CG LYS A 110 25.689 -1.430 2.725 1.00 1.34 C ATOM 168 CD LYS A 110 25.005 -2.187 3.850 1.00 1.95 C ATOM 169 CE LYS A 110 24.769 -3.643 3.483 1.00 2.22 C ATOM 170 NZ LYS A 110 26.042 -4.354 3.187 1.00 2.84 N ATOM 171 H LYS A 110 25.001 0.372 0.730 1.00 0.55 H ATOM 172 HA LYS A 110 26.703 1.859 2.349 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.465 0.072 4.006 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.922 0.474 3.263 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.074 -1.488 1.839 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.650 -1.881 2.531 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.630 -2.146 4.730 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.056 -1.717 4.060 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.276 -4.134 4.308 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.133 -3.683 2.611 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.539 -3.888 2.400 1.00 3.29 H ATOM 182 HZ2 LYS A 110 25.848 -5.342 2.923 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.659 -4.347 4.025 1.00 2.86 H ATOM 184 N GLY A 111 28.187 -0.517 0.759 1.00 1.06 N ATOM 185 CA GLY A 111 29.481 -1.106 0.467 1.00 1.46 C ATOM 186 C GLY A 111 30.373 -0.177 -0.332 1.00 1.16 C ATOM 187 O GLY A 111 29.891 0.606 -1.150 1.00 1.82 O ATOM 188 H GLY A 111 27.423 -0.706 0.177 1.00 0.86 H ATOM 189 HA2 GLY A 111 29.973 -1.346 1.398 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.333 -2.017 -0.094 1.00 2.26 H ATOM 191 N GLY A 112 31.678 -0.266 -0.097 1.00 1.66 N ATOM 192 CA GLY A 112 32.620 0.577 -0.810 1.00 2.42 C ATOM 193 C GLY A 112 32.550 2.026 -0.370 1.00 3.15 C ATOM 194 O GLY A 112 32.473 2.272 0.853 1.00 3.63 O ATOM 195 OXT GLY A 112 32.573 2.915 -1.246 1.00 3.80 O ATOM 196 H GLY A 112 32.005 -0.910 0.566 1.00 2.15 H ATOM 197 HA2 GLY A 112 33.620 0.208 -0.637 1.00 2.60 H ATOM 198 HA3 GLY A 112 32.405 0.523 -1.866 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 19 ATOM 1 N ASP A 98 12.542 -4.643 -2.265 1.00 3.32 N ATOM 2 CA ASP A 98 11.370 -4.887 -1.383 1.00 2.31 C ATOM 3 C ASP A 98 11.341 -3.901 -0.220 1.00 2.05 C ATOM 4 O ASP A 98 10.274 -3.463 0.210 1.00 2.68 O ATOM 5 CB ASP A 98 11.445 -6.322 -0.858 1.00 2.50 C ATOM 6 CG ASP A 98 11.432 -7.347 -1.976 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.445 -7.378 -2.740 1.00 3.59 O ATOM 8 OD2 ASP A 98 12.408 -8.119 -2.085 1.00 3.81 O ATOM 9 H1 ASP A 98 13.379 -5.045 -1.798 1.00 3.66 H ATOM 10 H2 ASP A 98 12.636 -3.614 -2.388 1.00 3.69 H ATOM 11 H3 ASP A 98 12.359 -5.115 -3.174 1.00 3.70 H ATOM 12 HA ASP A 98 10.469 -4.768 -1.968 1.00 2.14 H ATOM 13 HB2 ASP A 98 12.358 -6.445 -0.295 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.600 -6.507 -0.213 1.00 2.83 H ATOM 15 N ARG A 99 12.521 -3.557 0.285 1.00 1.42 N ATOM 16 CA ARG A 99 12.634 -2.623 1.399 1.00 1.29 C ATOM 17 C ARG A 99 12.521 -1.179 0.917 1.00 0.77 C ATOM 18 O ARG A 99 11.432 -0.608 0.886 1.00 0.82 O ATOM 19 CB ARG A 99 13.957 -2.847 2.144 1.00 1.56 C ATOM 20 CG ARG A 99 14.212 -1.864 3.281 1.00 1.98 C ATOM 21 CD ARG A 99 13.161 -1.975 4.379 1.00 2.97 C ATOM 22 NE ARG A 99 11.838 -1.551 3.931 1.00 2.80 N ATOM 23 CZ ARG A 99 11.536 -0.302 3.583 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.447 0.660 3.672 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.316 -0.010 3.154 1.00 3.12 N ATOM 26 H ARG A 99 13.337 -3.940 -0.101 1.00 1.41 H ATOM 27 HA ARG A 99 11.821 -2.820 2.071 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.954 -3.844 2.559 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.771 -2.767 1.439 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.183 -2.068 3.708 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.198 -0.860 2.883 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.106 -3.007 4.700 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.466 -1.354 5.212 1.00 3.45 H ATOM 34 HE ARG A 99 11.138 -2.235 3.875 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.366 0.450 4.006 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.214 1.595 3.407 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.623 -0.728 3.094 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.088 0.929 2.892 1.00 3.62 H ATOM 39 N GLY A 100 13.652 -0.597 0.548 1.00 0.77 N ATOM 40 CA GLY A 100 13.666 0.778 0.079 1.00 1.22 C ATOM 41 C GLY A 100 14.713 1.603 0.796 1.00 1.13 C ATOM 42 O GLY A 100 14.416 2.665 1.342 1.00 1.40 O ATOM 43 H GLY A 100 14.487 -1.104 0.600 1.00 0.87 H ATOM 44 HA2 GLY A 100 13.875 0.785 -0.981 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.695 1.218 0.250 1.00 1.68 H ATOM 46 N TRP A 101 15.938 1.097 0.803 1.00 0.82 N ATOM 47 CA TRP A 101 17.049 1.765 1.467 1.00 0.75 C ATOM 48 C TRP A 101 17.372 3.106 0.813 1.00 0.98 C ATOM 49 O TRP A 101 16.745 4.119 1.125 1.00 1.30 O ATOM 50 CB TRP A 101 18.269 0.848 1.459 1.00 0.53 C ATOM 51 CG TRP A 101 17.990 -0.482 2.052 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.698 -0.772 3.343 1.00 0.94 C ATOM 53 CD2 TRP A 101 17.939 -1.701 1.339 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.488 -2.124 3.482 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.629 -2.715 2.253 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.136 -2.019 0.009 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.509 -4.044 1.866 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.020 -3.333 -0.385 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.709 -4.336 0.539 1.00 1.53 C ATOM 60 H TRP A 101 16.099 0.239 0.357 1.00 0.74 H ATOM 61 HA TRP A 101 16.765 1.945 2.489 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.589 0.682 0.443 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.070 1.306 2.019 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.658 -0.040 4.126 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.269 -2.585 4.319 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.379 -1.251 -0.706 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.265 -4.820 2.570 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.172 -3.597 -1.420 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.632 -5.353 0.189 1.00 1.82 H ATOM 70 N GLY A 102 18.376 3.123 -0.060 1.00 1.01 N ATOM 71 CA GLY A 102 18.781 4.363 -0.694 1.00 1.40 C ATOM 72 C GLY A 102 19.777 5.091 0.179 1.00 1.46 C ATOM 73 O GLY A 102 20.722 5.712 -0.306 1.00 1.92 O ATOM 74 H GLY A 102 18.865 2.299 -0.249 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.235 4.143 -1.650 1.00 1.52 H ATOM 76 HA3 GLY A 102 17.915 4.990 -0.843 1.00 1.61 H ATOM 77 N ASN A 103 19.563 4.973 1.485 1.00 1.23 N ATOM 78 CA ASN A 103 20.429 5.571 2.485 1.00 1.39 C ATOM 79 C ASN A 103 21.781 4.860 2.552 1.00 1.23 C ATOM 80 O ASN A 103 22.667 5.269 3.302 1.00 1.44 O ATOM 81 CB ASN A 103 19.747 5.511 3.857 1.00 1.49 C ATOM 82 CG ASN A 103 19.320 4.101 4.292 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.784 3.936 5.388 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.537 3.075 3.456 1.00 0.95 N ATOM 85 H ASN A 103 18.800 4.449 1.790 1.00 1.19 H ATOM 86 HA ASN A 103 20.588 6.604 2.217 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.429 5.896 4.600 1.00 1.67 H ATOM 88 HB3 ASN A 103 18.867 6.137 3.834 1.00 1.65 H ATOM 89 HD21 ASN A 103 19.962 3.248 2.598 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.248 2.180 3.738 1.00 0.89 H ATOM 91 N GLY A 104 21.929 3.788 1.777 1.00 0.91 N ATOM 92 CA GLY A 104 23.164 3.038 1.782 1.00 0.80 C ATOM 93 C GLY A 104 23.503 2.516 3.162 1.00 0.86 C ATOM 94 O GLY A 104 24.652 2.581 3.597 1.00 1.08 O ATOM 95 H GLY A 104 21.191 3.497 1.206 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.060 2.201 1.107 1.00 0.62 H ATOM 97 HA3 GLY A 104 23.964 3.674 1.438 1.00 1.02 H ATOM 98 N CYS A 105 22.493 1.996 3.848 1.00 0.85 N ATOM 99 CA CYS A 105 22.670 1.453 5.187 1.00 1.18 C ATOM 100 C CYS A 105 22.462 -0.055 5.175 1.00 1.14 C ATOM 101 O CYS A 105 23.089 -0.785 5.942 1.00 1.47 O ATOM 102 CB CYS A 105 21.692 2.111 6.163 1.00 1.47 C ATOM 103 SG CYS A 105 21.830 1.511 7.863 1.00 2.45 S ATOM 104 H CYS A 105 21.604 1.974 3.440 1.00 0.74 H ATOM 105 HA CYS A 105 23.681 1.665 5.502 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.870 3.175 6.175 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.682 1.924 5.829 1.00 1.91 H ATOM 108 HG CYS A 105 20.943 1.406 8.213 1.00 2.81 H ATOM 109 N GLY A 106 21.584 -0.516 4.289 1.00 0.89 N ATOM 110 CA GLY A 106 21.317 -1.936 4.184 1.00 1.13 C ATOM 111 C GLY A 106 21.743 -2.493 2.843 1.00 1.06 C ATOM 112 O GLY A 106 22.006 -3.688 2.713 1.00 1.42 O ATOM 113 H GLY A 106 21.118 0.113 3.694 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.858 -2.451 4.965 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.260 -2.107 4.315 1.00 1.23 H ATOM 116 N LEU A 107 21.818 -1.615 1.844 1.00 0.76 N ATOM 117 CA LEU A 107 22.219 -2.001 0.499 1.00 0.98 C ATOM 118 C LEU A 107 22.101 -0.813 -0.453 1.00 0.95 C ATOM 119 O LEU A 107 21.268 0.070 -0.252 1.00 0.88 O ATOM 120 CB LEU A 107 21.373 -3.182 0.007 1.00 1.54 C ATOM 121 CG LEU A 107 21.590 -3.596 -1.449 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.049 -3.946 -1.698 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.693 -4.772 -1.803 1.00 2.51 C ATOM 124 H LEU A 107 21.599 -0.678 2.020 1.00 0.55 H ATOM 125 HA LEU A 107 23.253 -2.304 0.543 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.588 -4.035 0.632 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.336 -2.924 0.131 1.00 2.34 H ATOM 128 HG LEU A 107 21.326 -2.771 -2.092 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.326 -3.642 -2.697 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.185 -5.013 -1.596 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.671 -3.433 -0.982 1.00 2.56 H ATOM 132 HD21 LEU A 107 21.210 -5.425 -2.491 1.00 2.74 H ATOM 133 HD22 LEU A 107 19.786 -4.408 -2.263 1.00 3.02 H ATOM 134 HD23 LEU A 107 20.446 -5.320 -0.904 1.00 3.04 H ATOM 135 N PHE A 108 22.949 -0.795 -1.480 1.00 1.24 N ATOM 136 CA PHE A 108 22.956 0.288 -2.464 1.00 1.54 C ATOM 137 C PHE A 108 23.553 1.562 -1.870 1.00 1.42 C ATOM 138 O PHE A 108 22.956 2.636 -1.950 1.00 1.71 O ATOM 139 CB PHE A 108 21.542 0.566 -2.975 1.00 1.83 C ATOM 140 CG PHE A 108 20.874 -0.632 -3.542 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.416 -1.292 -4.628 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.700 -1.097 -2.986 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.794 -2.400 -5.152 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.072 -2.204 -3.506 1.00 2.91 C ATOM 145 CZ PHE A 108 19.622 -2.854 -4.589 1.00 2.92 C ATOM 146 H PHE A 108 23.593 -1.526 -1.577 1.00 1.34 H ATOM 147 HA PHE A 108 23.570 -0.027 -3.293 1.00 1.78 H ATOM 148 HB2 PHE A 108 20.930 0.926 -2.168 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.585 1.313 -3.752 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.336 -0.932 -5.065 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.277 -0.582 -2.136 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.222 -2.912 -6.001 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.153 -2.561 -3.067 1.00 3.46 H ATOM 154 HZ PHE A 108 19.137 -3.712 -4.992 1.00 3.26 H ATOM 155 N GLY A 109 24.736 1.436 -1.277 1.00 1.13 N ATOM 156 CA GLY A 109 25.390 2.588 -0.684 1.00 1.27 C ATOM 157 C GLY A 109 26.226 2.229 0.529 1.00 1.05 C ATOM 158 O GLY A 109 27.211 2.902 0.833 1.00 1.35 O ATOM 159 H GLY A 109 25.168 0.557 -1.243 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.031 3.044 -1.425 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.637 3.303 -0.389 1.00 1.43 H ATOM 162 N LYS A 110 25.834 1.167 1.227 1.00 0.71 N ATOM 163 CA LYS A 110 26.556 0.726 2.415 1.00 0.90 C ATOM 164 C LYS A 110 28.012 0.403 2.089 1.00 1.16 C ATOM 165 O LYS A 110 28.869 0.400 2.971 1.00 1.61 O ATOM 166 CB LYS A 110 25.878 -0.498 3.030 1.00 0.83 C ATOM 167 CG LYS A 110 25.818 -1.695 2.098 1.00 1.34 C ATOM 168 CD LYS A 110 25.136 -2.876 2.764 1.00 1.95 C ATOM 169 CE LYS A 110 25.058 -4.075 1.833 1.00 2.22 C ATOM 170 NZ LYS A 110 26.408 -4.533 1.403 1.00 2.84 N ATOM 171 H LYS A 110 25.040 0.671 0.938 1.00 0.55 H ATOM 172 HA LYS A 110 26.534 1.531 3.130 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.420 -0.787 3.918 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.868 -0.233 3.307 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.262 -1.422 1.212 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.823 -1.977 1.822 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.697 -3.152 3.644 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.136 -2.585 3.050 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.561 -4.883 2.348 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.485 -3.800 0.959 1.00 2.47 H ATOM 181 HZ1 LYS A 110 27.012 -4.696 2.233 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.855 -3.813 0.800 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.329 -5.420 0.864 1.00 2.86 H ATOM 184 N GLY A 111 28.283 0.133 0.817 1.00 1.06 N ATOM 185 CA GLY A 111 29.635 -0.186 0.398 1.00 1.46 C ATOM 186 C GLY A 111 29.773 -0.257 -1.110 1.00 1.16 C ATOM 187 O GLY A 111 28.779 -0.206 -1.834 1.00 1.82 O ATOM 188 H GLY A 111 27.559 0.151 0.158 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.305 0.572 0.775 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.914 -1.140 0.819 1.00 2.26 H ATOM 191 N GLY A 112 31.008 -0.374 -1.584 1.00 1.66 N ATOM 192 CA GLY A 112 31.251 -0.451 -3.013 1.00 2.42 C ATOM 193 C GLY A 112 30.954 -1.826 -3.579 1.00 3.15 C ATOM 194 O GLY A 112 29.760 -2.157 -3.740 1.00 3.63 O ATOM 195 OXT GLY A 112 31.914 -2.571 -3.863 1.00 3.80 O ATOM 196 H GLY A 112 31.762 -0.411 -0.959 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.626 0.274 -3.512 1.00 2.60 H ATOM 198 HA3 GLY A 112 32.286 -0.212 -3.205 1.00 3.02 H TER 199 GLY A 112 ENDMDL MODEL 20 ATOM 1 N ASP A 98 12.471 -4.841 -1.785 1.00 3.32 N ATOM 2 CA ASP A 98 11.238 -4.873 -0.955 1.00 2.31 C ATOM 3 C ASP A 98 11.264 -3.783 0.111 1.00 2.05 C ATOM 4 O ASP A 98 10.220 -3.262 0.505 1.00 2.68 O ATOM 5 CB ASP A 98 11.129 -6.251 -0.299 1.00 2.50 C ATOM 6 CG ASP A 98 11.052 -7.371 -1.318 1.00 3.15 C ATOM 7 OD1 ASP A 98 10.105 -7.370 -2.131 1.00 3.59 O ATOM 8 OD2 ASP A 98 11.940 -8.250 -1.302 1.00 3.81 O ATOM 9 H1 ASP A 98 12.687 -3.845 -1.992 1.00 3.66 H ATOM 10 H2 ASP A 98 12.280 -5.374 -2.657 1.00 3.69 H ATOM 11 H3 ASP A 98 13.236 -5.281 -1.234 1.00 3.70 H ATOM 12 HA ASP A 98 10.386 -4.717 -1.599 1.00 2.14 H ATOM 13 HB2 ASP A 98 11.995 -6.416 0.325 1.00 2.65 H ATOM 14 HB3 ASP A 98 10.238 -6.283 0.311 1.00 2.83 H ATOM 15 N ARG A 99 12.462 -3.443 0.574 1.00 1.42 N ATOM 16 CA ARG A 99 12.624 -2.415 1.595 1.00 1.29 C ATOM 17 C ARG A 99 12.580 -1.020 0.977 1.00 0.77 C ATOM 18 O ARG A 99 11.520 -0.401 0.893 1.00 0.82 O ATOM 19 CB ARG A 99 13.938 -2.631 2.359 1.00 1.56 C ATOM 20 CG ARG A 99 14.244 -1.561 3.401 1.00 1.98 C ATOM 21 CD ARG A 99 13.191 -1.517 4.499 1.00 2.97 C ATOM 22 NE ARG A 99 11.890 -1.066 4.009 1.00 2.80 N ATOM 23 CZ ARG A 99 11.654 0.160 3.547 1.00 3.29 C ATOM 24 NH1 ARG A 99 12.614 1.077 3.554 1.00 4.17 N ATOM 25 NH2 ARG A 99 10.450 0.476 3.089 1.00 3.12 N ATOM 26 H ARG A 99 13.257 -3.895 0.221 1.00 1.41 H ATOM 27 HA ARG A 99 11.806 -2.508 2.282 1.00 1.65 H ATOM 28 HB2 ARG A 99 13.890 -3.584 2.863 1.00 1.81 H ATOM 29 HB3 ARG A 99 14.753 -2.655 1.650 1.00 1.45 H ATOM 30 HG2 ARG A 99 15.203 -1.773 3.848 1.00 1.89 H ATOM 31 HG3 ARG A 99 14.281 -0.599 2.910 1.00 1.97 H ATOM 32 HD2 ARG A 99 13.080 -2.511 4.913 1.00 3.53 H ATOM 33 HD3 ARG A 99 13.526 -0.840 5.273 1.00 3.45 H ATOM 34 HE ARG A 99 11.156 -1.715 4.012 1.00 2.51 H ATOM 35 HH11 ARG A 99 13.521 0.851 3.908 1.00 4.32 H ATOM 36 HH12 ARG A 99 12.430 1.995 3.203 1.00 4.74 H ATOM 37 HH21 ARG A 99 9.720 -0.207 3.091 1.00 2.60 H ATOM 38 HH22 ARG A 99 10.273 1.397 2.742 1.00 3.62 H ATOM 39 N GLY A 100 13.735 -0.531 0.554 1.00 0.77 N ATOM 40 CA GLY A 100 13.813 0.790 -0.044 1.00 1.22 C ATOM 41 C GLY A 100 14.876 1.644 0.616 1.00 1.13 C ATOM 42 O GLY A 100 14.598 2.747 1.088 1.00 1.40 O ATOM 43 H GLY A 100 14.545 -1.072 0.654 1.00 0.87 H ATOM 44 HA2 GLY A 100 14.045 0.688 -1.093 1.00 1.44 H ATOM 45 HA3 GLY A 100 12.856 1.280 0.060 1.00 1.68 H ATOM 46 N TRP A 101 16.092 1.119 0.659 1.00 0.82 N ATOM 47 CA TRP A 101 17.213 1.813 1.278 1.00 0.75 C ATOM 48 C TRP A 101 17.580 3.084 0.516 1.00 0.98 C ATOM 49 O TRP A 101 16.973 4.135 0.726 1.00 1.30 O ATOM 50 CB TRP A 101 18.408 0.868 1.369 1.00 0.53 C ATOM 51 CG TRP A 101 18.084 -0.400 2.065 1.00 0.67 C ATOM 52 CD1 TRP A 101 17.755 -0.572 3.368 1.00 0.94 C ATOM 53 CD2 TRP A 101 18.025 -1.674 1.459 1.00 0.86 C ATOM 54 NE1 TRP A 101 17.509 -1.902 3.617 1.00 1.20 N ATOM 55 CE2 TRP A 101 17.669 -2.600 2.447 1.00 1.16 C ATOM 56 CE3 TRP A 101 18.250 -2.110 0.167 1.00 0.98 C ATOM 57 CZ2 TRP A 101 17.530 -3.954 2.172 1.00 1.48 C ATOM 58 CZ3 TRP A 101 18.116 -3.450 -0.117 1.00 1.33 C ATOM 59 CH2 TRP A 101 17.758 -4.364 0.882 1.00 1.53 C ATOM 60 H TRP A 101 16.240 0.230 0.275 1.00 0.74 H ATOM 61 HA TRP A 101 16.921 2.090 2.278 1.00 0.90 H ATOM 62 HB2 TRP A 101 18.739 0.610 0.377 1.00 0.57 H ATOM 63 HB3 TRP A 101 19.212 1.352 1.904 1.00 0.53 H ATOM 64 HD1 TRP A 101 17.709 0.226 4.084 1.00 1.04 H ATOM 65 HE1 TRP A 101 17.260 -2.285 4.483 1.00 1.46 H ATOM 66 HE3 TRP A 101 18.527 -1.411 -0.604 1.00 0.93 H ATOM 67 HZ2 TRP A 101 17.251 -4.662 2.933 1.00 1.74 H ATOM 68 HZ3 TRP A 101 18.288 -3.805 -1.120 1.00 1.51 H ATOM 69 HH2 TRP A 101 17.668 -5.405 0.618 1.00 1.82 H ATOM 70 N GLY A 102 18.598 3.003 -0.338 1.00 1.01 N ATOM 71 CA GLY A 102 19.043 4.173 -1.069 1.00 1.40 C ATOM 72 C GLY A 102 20.034 4.956 -0.240 1.00 1.46 C ATOM 73 O GLY A 102 21.006 5.509 -0.755 1.00 1.92 O ATOM 74 H GLY A 102 19.070 2.154 -0.445 1.00 0.90 H ATOM 75 HA2 GLY A 102 19.514 3.859 -1.991 1.00 1.52 H ATOM 76 HA3 GLY A 102 18.194 4.800 -1.294 1.00 1.61 H ATOM 77 N ASN A 103 19.785 4.963 1.066 1.00 1.23 N ATOM 78 CA ASN A 103 20.641 5.631 2.030 1.00 1.39 C ATOM 79 C ASN A 103 21.979 4.910 2.184 1.00 1.23 C ATOM 80 O ASN A 103 22.861 5.372 2.909 1.00 1.44 O ATOM 81 CB ASN A 103 19.930 5.699 3.387 1.00 1.49 C ATOM 82 CG ASN A 103 19.467 4.340 3.932 1.00 1.26 C ATOM 83 OD1 ASN A 103 18.908 4.278 5.026 1.00 1.45 O ATOM 84 ND2 ASN A 103 19.682 3.243 3.191 1.00 0.95 N ATOM 85 H ASN A 103 19.003 4.485 1.397 1.00 1.19 H ATOM 86 HA ASN A 103 20.822 6.634 1.678 1.00 1.65 H ATOM 87 HB2 ASN A 103 20.604 6.134 4.109 1.00 1.67 H ATOM 88 HB3 ASN A 103 19.063 6.337 3.292 1.00 1.65 H ATOM 89 HD21 ASN A 103 20.126 3.335 2.330 1.00 0.88 H ATOM 90 HD22 ASN A 103 19.370 2.380 3.542 1.00 0.89 H ATOM 91 N GLY A 104 22.124 3.769 1.512 1.00 0.91 N ATOM 92 CA GLY A 104 23.348 3.006 1.606 1.00 0.80 C ATOM 93 C GLY A 104 23.654 2.596 3.030 1.00 0.86 C ATOM 94 O GLY A 104 24.801 2.653 3.471 1.00 1.08 O ATOM 95 H GLY A 104 21.390 3.438 0.957 1.00 0.82 H ATOM 96 HA2 GLY A 104 23.245 2.117 1.000 1.00 0.62 H ATOM 97 HA3 GLY A 104 24.164 3.601 1.227 1.00 1.02 H ATOM 98 N CYS A 105 22.619 2.177 3.747 1.00 0.85 N ATOM 99 CA CYS A 105 22.764 1.747 5.130 1.00 1.18 C ATOM 100 C CYS A 105 22.525 0.248 5.245 1.00 1.14 C ATOM 101 O CYS A 105 23.115 -0.424 6.091 1.00 1.47 O ATOM 102 CB CYS A 105 21.786 2.505 6.030 1.00 1.47 C ATOM 103 SG CYS A 105 21.886 2.052 7.778 1.00 2.45 S ATOM 104 H CYS A 105 21.733 2.151 3.333 1.00 0.74 H ATOM 105 HA CYS A 105 23.774 1.966 5.443 1.00 1.39 H ATOM 106 HB2 CYS A 105 21.985 3.563 5.954 1.00 1.53 H ATOM 107 HB3 CYS A 105 20.777 2.309 5.697 1.00 1.91 H ATOM 108 HG CYS A 105 21.074 2.333 8.204 1.00 2.81 H ATOM 109 N GLY A 106 21.660 -0.274 4.378 1.00 0.89 N ATOM 110 CA GLY A 106 21.368 -1.693 4.392 1.00 1.13 C ATOM 111 C GLY A 106 21.806 -2.374 3.113 1.00 1.06 C ATOM 112 O GLY A 106 22.050 -3.581 3.097 1.00 1.42 O ATOM 113 H GLY A 106 21.224 0.309 3.717 1.00 0.66 H ATOM 114 HA2 GLY A 106 21.882 -2.148 5.225 1.00 1.40 H ATOM 115 HA3 GLY A 106 20.304 -1.830 4.516 1.00 1.23 H ATOM 116 N LEU A 107 21.910 -1.593 2.041 1.00 0.76 N ATOM 117 CA LEU A 107 22.326 -2.109 0.743 1.00 0.98 C ATOM 118 C LEU A 107 22.254 -1.010 -0.315 1.00 0.95 C ATOM 119 O LEU A 107 21.451 -0.084 -0.204 1.00 0.88 O ATOM 120 CB LEU A 107 21.458 -3.308 0.344 1.00 1.54 C ATOM 121 CG LEU A 107 21.695 -3.864 -1.060 1.00 1.63 C ATOM 122 CD1 LEU A 107 23.149 -4.277 -1.240 1.00 2.37 C ATOM 123 CD2 LEU A 107 20.771 -5.045 -1.323 1.00 2.51 C ATOM 124 H LEU A 107 21.704 -0.640 2.126 1.00 0.55 H ATOM 125 HA LEU A 107 23.350 -2.429 0.835 1.00 1.00 H ATOM 126 HB2 LEU A 107 21.637 -4.103 1.052 1.00 1.90 H ATOM 127 HB3 LEU A 107 20.427 -3.014 0.420 1.00 2.34 H ATOM 128 HG LEU A 107 21.469 -3.098 -1.784 1.00 1.44 H ATOM 129 HD11 LEU A 107 23.454 -4.086 -2.258 1.00 2.90 H ATOM 130 HD12 LEU A 107 23.252 -5.330 -1.025 1.00 2.76 H ATOM 131 HD13 LEU A 107 23.771 -3.709 -0.565 1.00 2.56 H ATOM 132 HD21 LEU A 107 20.464 -5.479 -0.383 1.00 2.74 H ATOM 133 HD22 LEU A 107 21.293 -5.787 -1.909 1.00 3.02 H ATOM 134 HD23 LEU A 107 19.901 -4.706 -1.865 1.00 3.04 H ATOM 135 N PHE A 108 23.108 -1.114 -1.332 1.00 1.24 N ATOM 136 CA PHE A 108 23.158 -0.129 -2.411 1.00 1.54 C ATOM 137 C PHE A 108 23.797 1.173 -1.935 1.00 1.42 C ATOM 138 O PHE A 108 23.293 2.262 -2.214 1.00 1.71 O ATOM 139 CB PHE A 108 21.758 0.151 -2.960 1.00 1.83 C ATOM 140 CG PHE A 108 21.051 -1.071 -3.418 1.00 2.14 C ATOM 141 CD1 PHE A 108 21.583 -1.857 -4.422 1.00 2.59 C ATOM 142 CD2 PHE A 108 19.850 -1.432 -2.843 1.00 2.54 C ATOM 143 CE1 PHE A 108 20.925 -2.986 -4.846 1.00 2.93 C ATOM 144 CE2 PHE A 108 19.186 -2.559 -3.262 1.00 2.91 C ATOM 145 CZ PHE A 108 19.725 -3.335 -4.265 1.00 2.92 C ATOM 146 H PHE A 108 23.726 -1.873 -1.354 1.00 1.34 H ATOM 147 HA PHE A 108 23.765 -0.540 -3.202 1.00 1.78 H ATOM 148 HB2 PHE A 108 21.155 0.607 -2.194 1.00 1.58 H ATOM 149 HB3 PHE A 108 21.832 0.819 -3.801 1.00 2.13 H ATOM 150 HD1 PHE A 108 22.523 -1.578 -4.873 1.00 2.96 H ATOM 151 HD2 PHE A 108 19.435 -0.818 -2.057 1.00 2.87 H ATOM 152 HE1 PHE A 108 21.344 -3.596 -5.632 1.00 3.48 H ATOM 153 HE2 PHE A 108 18.245 -2.834 -2.809 1.00 3.46 H ATOM 154 HZ PHE A 108 19.212 -4.210 -4.591 1.00 3.26 H ATOM 155 N GLY A 109 24.912 1.057 -1.221 1.00 1.13 N ATOM 156 CA GLY A 109 25.596 2.237 -0.726 1.00 1.27 C ATOM 157 C GLY A 109 26.420 1.964 0.518 1.00 1.05 C ATOM 158 O GLY A 109 27.445 2.608 0.742 1.00 1.35 O ATOM 159 H GLY A 109 25.272 0.165 -1.030 1.00 0.96 H ATOM 160 HA2 GLY A 109 26.251 2.608 -1.501 1.00 1.56 H ATOM 161 HA3 GLY A 109 24.862 2.995 -0.500 1.00 1.43 H ATOM 162 N LYS A 110 25.973 1.013 1.332 1.00 0.71 N ATOM 163 CA LYS A 110 26.683 0.668 2.561 1.00 0.90 C ATOM 164 C LYS A 110 28.121 0.248 2.268 1.00 1.16 C ATOM 165 O LYS A 110 28.986 0.310 3.142 1.00 1.61 O ATOM 166 CB LYS A 110 25.957 -0.452 3.306 1.00 0.83 C ATOM 167 CG LYS A 110 25.840 -1.740 2.510 1.00 1.34 C ATOM 168 CD LYS A 110 25.138 -2.820 3.314 1.00 1.95 C ATOM 169 CE LYS A 110 24.994 -4.106 2.517 1.00 2.22 C ATOM 170 NZ LYS A 110 26.317 -4.657 2.109 1.00 2.84 N ATOM 171 H LYS A 110 25.149 0.533 1.104 1.00 0.55 H ATOM 172 HA LYS A 110 26.702 1.545 3.185 1.00 1.20 H ATOM 173 HB2 LYS A 110 26.490 -0.665 4.219 1.00 1.18 H ATOM 174 HB3 LYS A 110 24.960 -0.116 3.552 1.00 0.94 H ATOM 175 HG2 LYS A 110 25.276 -1.549 1.610 1.00 1.77 H ATOM 176 HG3 LYS A 110 26.832 -2.084 2.251 1.00 1.78 H ATOM 177 HD2 LYS A 110 25.712 -3.022 4.205 1.00 2.29 H ATOM 178 HD3 LYS A 110 24.156 -2.465 3.590 1.00 2.62 H ATOM 179 HE2 LYS A 110 24.482 -4.837 3.125 1.00 2.33 H ATOM 180 HE3 LYS A 110 24.410 -3.904 1.632 1.00 2.47 H ATOM 181 HZ1 LYS A 110 26.907 -4.829 2.950 1.00 3.29 H ATOM 182 HZ2 LYS A 110 26.807 -3.985 1.487 1.00 3.36 H ATOM 183 HZ3 LYS A 110 26.188 -5.555 1.600 1.00 2.86 H ATOM 184 N GLY A 111 28.368 -0.179 1.035 1.00 1.06 N ATOM 185 CA GLY A 111 29.702 -0.603 0.651 1.00 1.46 C ATOM 186 C GLY A 111 29.802 -0.932 -0.826 1.00 1.16 C ATOM 187 O GLY A 111 29.911 -2.099 -1.202 1.00 1.82 O ATOM 188 H GLY A 111 27.640 -0.207 0.382 1.00 0.86 H ATOM 189 HA2 GLY A 111 30.399 0.189 0.880 1.00 1.95 H ATOM 190 HA3 GLY A 111 29.967 -1.479 1.222 1.00 2.26 H ATOM 191 N GLY A 112 29.766 0.099 -1.664 1.00 1.66 N ATOM 192 CA GLY A 112 29.855 -0.108 -3.098 1.00 2.42 C ATOM 193 C GLY A 112 28.495 -0.113 -3.769 1.00 3.15 C ATOM 194 O GLY A 112 27.558 -0.717 -3.207 1.00 3.63 O ATOM 195 OXT GLY A 112 28.369 0.486 -4.857 1.00 3.80 O ATOM 196 H GLY A 112 29.678 1.006 -1.306 1.00 2.15 H ATOM 197 HA2 GLY A 112 30.453 0.682 -3.527 1.00 2.60 H ATOM 198 HA3 GLY A 112 30.340 -1.055 -3.284 1.00 3.02 H TER 199 GLY A 112 ENDMDL MASTER 140 0 0 0 0 0 0 6 104 1 0 2 END