REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-APR-04 1T1J COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR A.DONG,X.XU,Y.LIU,R.ZHANG,A.SAVCHENKO,A.EDWARDS,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) >HIS.A 0 -23.13 41.16 -15.14 -24.87 41.44 -14.01 -24.00 41.30 -14.57 3 0 1000.00 -999 ? >MET.A 1 -21.35 36.39 -17.78 -22.33 33.04 -20.17 -21.84 34.72 -18.97 2 0 1000.00 -999 ? >ARG.A 2 -17.37 37.50 -13.52 -15.44 38.04 -11.23 -16.41 37.77 -12.38 2 0 1000.00 -999 ? >LYS^A 3 -15.21 33.79 -19.07 -18.95 35.54 -22.07 -17.08 34.66 -20.57 2 0 1000.00 -999 ? >ILE^A 4 -13.34 32.49 -15.02 -13.68 32.92 -13.76 -13.51 32.71 -14.39 3 0 1000.00 -999 ? >PHE^A 5 -7.30 29.89 -17.71 -5.43 27.82 -18.08 -6.36 28.85 -17.90 3 0 1000.00 -999 ? >LEU^A 6 -10.47 28.28 -12.63 -10.74 28.05 -10.52 -10.61 28.16 -11.57 3 0 1000.00 -999 ? >ALA^A 7 -5.69 28.13 -12.45 -4.55 29.09 -12.81 -5.12 28.61 -12.63 2 0 1000.00 -999 ? >CYH.A 8 -4.51 26.14 -9.47 -5.66 24.34 -7.61 -5.08 25.24 -8.54 2 0 1000.00 -999 ? >PRO.A 9 -1.80 25.33 -6.00 -1.85 25.10 -8.23 -1.83 25.21 -7.11 3 0 1000.00 -999 ? >TYR.A 10 -1.71 19.42 -11.11 -2.38 16.77 -11.79 -2.05 18.10 -11.45 3 0 1000.00 -999 ? >SER.A 11 2.29 19.08 -9.43 3.14 19.35 -11.73 2.72 19.22 -10.58 2 0 1000.00 -999 ? >HIS.A 12 3.06 18.24 -3.67 3.75 18.64 -1.73 3.41 18.44 -2.70 3 0 1000.00 -999 ? >ALA.A 13 5.82 15.04 -4.87 7.03 15.20 -3.93 6.42 15.12 -4.40 2 0 1000.00 -999 ? >ASP~A 14 2.80 14.38 -1.26 1.50 13.24 -0.04 2.15 13.81 -0.65 2 0 1000.00 -999 ? >ALA~A 15 0.05 12.30 -4.62 -0.07 10.83 -4.98 -0.01 11.56 -4.80 2 0 1000.00 -999 ? >GLU~A 16 -3.14 13.37 0.69 -5.16 12.73 0.34 -4.15 13.05 0.51 2 0 1000.00 -999 ? >VAL~A 17 -1.53 16.79 -2.07 0.09 18.05 -1.33 -0.72 17.42 -1.70 3 0 1000.00 -999 ? >VAL~A 18 -2.28 16.66 -5.81 -1.14 15.97 -7.55 -1.71 16.31 -6.68 3 0 1000.00 -999 ? >GLU~A 19 -7.16 13.06 -4.43 -7.72 12.28 -6.32 -7.44 12.67 -5.37 2 0 1000.00 -999 ? >GLN~A 20 -5.74 16.87 -0.06 -4.79 17.49 1.74 -5.27 17.18 0.84 2 0 1000.00 -999 ? >ARG~A 21 -1.92 21.31 -5.14 1.02 21.97 -4.70 -0.45 21.64 -4.92 2 0 1000.00 -999 ? >PHE~A 22 -8.79 16.68 -8.58 -10.74 15.33 -10.11 -9.76 16.01 -9.35 3 0 1000.00 -999 ? >ARG~A 23 -11.98 15.61 -4.90 -12.83 13.24 -6.76 -12.41 14.42 -5.83 2 0 1000.00 -999 ? >ALA~A 24 -10.31 22.09 -3.84 -9.05 22.67 -3.18 -9.68 22.38 -3.51 2 0 1000.00 -999 ? >CYH~A 25 -10.25 23.30 -7.43 -9.14 24.08 -9.83 -9.70 23.69 -8.63 2 0 1000.00 -999 ? >ASN~A 26 -13.68 19.80 -7.99 -12.40 18.49 -9.07 -13.04 19.14 -8.53 2 0 1000.00 -999 ? >GLU~A 27 -15.14 21.77 -3.22 -17.19 21.27 -2.92 -16.16 21.52 -3.07 2 0 1000.00 -999 ? >VAL~A 28 -14.22 26.56 -6.56 -12.56 27.94 -6.16 -13.39 27.25 -6.36 3 0 1000.00 -999 ? >ALA~A 29 -15.07 25.71 -10.19 -14.48 24.52 -11.04 -14.78 25.11 -10.61 2 0 1000.00 -999 ? >ALA~A 30 -18.51 24.55 -8.94 -18.78 23.46 -7.87 -18.64 24.01 -8.40 2 0 1000.00 -999 ? >THR~A 31 -19.01 27.91 -7.25 -18.42 28.81 -5.41 -18.72 28.36 -6.33 2 0 1000.00 -999 ? >ILE~A 32 -16.72 29.75 -11.12 -15.50 30.39 -11.58 -16.11 30.07 -11.35 3 0 1000.00 -999 ? >VAL~A 33 -20.45 27.59 -12.51 -20.28 25.62 -13.51 -20.37 26.61 -13.01 3 0 1000.00 -999 ? >ARG~A 34 -23.83 25.91 -6.69 -21.52 24.55 -5.09 -22.68 25.23 -5.89 2 0 1000.00 -999 ? >ALA~A 35 -22.91 31.76 -10.33 -21.69 32.56 -9.79 -22.30 32.16 -10.06 2 0 1000.00 -999 ? >GLY.A 36 -23.55 31.36 -14.06 -22.83 31.48 -13.85 -23.19 31.42 -13.96 1 0 1000.00 -999 ? >HIS.A 37 -19.56 33.83 -14.01 -20.40 35.36 -12.86 -19.98 34.59 -13.43 3 0 1000.00 -999 ? >VAL^A 38 -18.07 30.14 -18.14 -17.90 30.25 -20.31 -17.98 30.20 -19.22 3 0 1000.00 -999 ? >VAL^A 39 -15.02 28.53 -16.56 -14.80 27.44 -14.63 -14.91 27.99 -15.60 3 0 1000.00 -999 ? >PHE^A 40 -10.07 25.75 -19.12 -8.20 23.68 -19.58 -9.14 24.71 -19.35 3 0 1000.00 -999 ? >SER^A 41 -10.96 24.67 -14.60 -11.19 23.59 -12.45 -11.07 24.13 -13.52 2 0 1000.00 -999 ? >GLN~A 42 -5.26 23.81 -16.91 -4.22 21.98 -16.46 -4.74 22.89 -16.69 2 0 1000.00 -999 ? >VAL~A 43 -6.98 21.00 -13.00 -5.84 21.15 -11.11 -6.41 21.07 -12.06 3 0 1000.00 -999 ? >SER~A 44 -10.54 19.70 -12.97 -11.97 21.30 -11.75 -11.25 20.50 -12.36 2 0 1000.00 -999 ? >MET~A 45 -10.25 18.54 -16.61 -10.91 19.72 -20.70 -10.58 19.13 -18.66 2 0 1000.00 -999 ? >SER~A 46 -6.58 17.55 -16.67 -5.09 19.09 -15.50 -5.83 18.32 -16.08 2 0 1000.00 -999 ? >HIS~A 47 -6.19 14.92 -11.03 -5.42 13.48 -9.71 -5.80 14.20 -10.37 3 0 1000.00 -999 ? >PRO~A 48 -10.33 14.13 -13.76 -8.29 13.37 -14.31 -9.31 13.75 -14.03 3 0 1000.00 -999 ? >ILE~A 49 -6.95 13.81 -18.89 -7.34 14.39 -20.19 -7.14 14.10 -19.54 3 0 1000.00 -999 ? >ASN~A 50 -2.78 13.79 -15.41 -2.38 15.63 -16.34 -2.58 14.71 -15.88 2 0 1000.00 -999 ? >LEU~A 51 -5.46 9.43 -13.51 -5.59 10.12 -11.45 -5.52 9.77 -12.48 3 0 1000.00 -999 ? >CYH.A 52 -4.38 7.91 -17.74 -7.17 7.82 -18.02 -5.78 7.86 -17.88 2 0 1000.00 -999 ? >LEU.A 53 -0.72 10.55 -19.17 -1.63 11.52 -20.85 -1.18 11.04 -20.01 3 0 1000.00 -999 ? >ALA.A 54 0.90 7.32 -15.85 0.37 6.08 -15.13 0.63 6.70 -15.49 2 0 1000.00 -999 ? >GLU.A 55 3.21 6.47 -20.77 1.16 7.04 -20.96 2.18 6.76 -20.86 2 0 1000.00 -999 ? >LEU.A 56 4.09 10.96 -19.41 3.68 10.67 -21.52 3.88 10.81 -20.46 3 0 1000.00 -999 ? >ASP~A 57 8.12 11.97 -15.59 9.27 12.88 -17.10 8.69 12.43 -16.35 2 0 1000.00 -999 ? >ARG~A 58 5.74 17.29 -11.03 6.63 16.46 -8.23 6.18 16.87 -9.63 2 0 1000.00 -999 ? >ALA~A 59 7.68 17.42 -16.67 9.21 17.34 -16.72 8.44 17.38 -16.69 2 0 1000.00 -999 ? >ALA~A 60 6.53 15.59 -19.79 6.69 14.10 -20.08 6.61 14.84 -19.93 2 0 1000.00 -999 ? >ILE~A 61 2.19 15.73 -17.49 1.23 14.80 -17.91 1.71 15.27 -17.70 3 0 1000.00 -999 ? >GLY~A 62 3.36 19.84 -18.32 3.47 19.36 -18.99 3.42 19.60 -18.65 1 0 1000.00 -999 ? >ARG~A 63 8.25 20.26 -23.22 9.04 20.98 -26.05 8.64 20.62 -24.63 2 0 1000.00 -999 ? >LEU~A 64 1.32 16.69 -23.00 1.19 15.00 -24.34 1.26 15.84 -23.67 3 0 1000.00 -999 ? >TRP~A 65 -1.37 18.10 -19.32 -5.14 18.12 -20.56 -3.26 18.11 -19.94 3 0 1000.00 -999 ? >ALA~A 66 1.07 23.65 -22.82 2.58 23.86 -23.06 1.83 23.75 -22.94 2 0 1000.00 -999 ? >PRO~A 67 0.38 22.01 -26.94 -0.10 23.83 -25.71 0.14 22.92 -26.33 3 0 1000.00 -999 ? >VAL~A 68 -3.82 22.82 -24.93 -4.63 20.85 -24.64 -4.22 21.84 -24.79 3 0 1000.00 -999 ? >ASP~A 69 -2.86 25.44 -20.87 -2.68 23.71 -19.66 -2.77 24.58 -20.26 2 0 1000.00 -999 ? >ALA~A 70 -2.92 28.05 -24.57 -1.74 28.05 -25.55 -2.33 28.05 -25.06 2 0 1000.00 -999 ? >PHE~A 71 -8.15 26.08 -27.45 -10.85 26.21 -28.20 -9.50 26.15 -27.83 3 0 1000.00 -999 ? >TYR~A 72 -8.85 25.91 -22.66 -10.05 23.51 -23.51 -9.45 24.71 -23.09 3 0 1000.00 -999 ? >MET~A 73 -5.97 31.12 -22.41 -2.02 30.82 -21.05 -4.00 30.97 -21.73 2 0 1000.00 -999 ? >ASP~A 74 -6.14 31.82 -27.14 -5.79 33.13 -28.78 -5.96 32.47 -27.96 2 0 1000.00 -999 ? >HIS~A 75 -10.61 30.75 -27.70 -9.77 30.19 -29.54 -10.19 30.47 -28.62 3 0 1000.00 -999 ? >LEU~A 76 -10.73 32.38 -20.95 -11.81 30.51 -20.60 -11.27 31.45 -20.78 3 0 1000.00 -999 ? >GLU.A 77 -13.33 37.44 -22.02 -12.17 38.53 -23.38 -12.75 37.98 -22.70 2 0 1000.00 -999 ? >GLU^A 78 -11.86 36.46 -15.61 -13.08 37.47 -14.21 -12.47 36.97 -14.91 2 0 1000.00 -999 ? >LEU^A 79 -6.19 34.62 -15.12 -4.71 33.14 -14.57 -5.45 33.88 -14.84 3 0 1000.00 -999 ? >ILE^A 80 -9.95 33.24 -10.93 -11.14 33.59 -10.12 -10.55 33.41 -10.53 3 0 1000.00 -999 ? >VAL^A 81 -5.72 31.82 -9.46 -3.54 32.13 -9.64 -4.63 31.97 -9.55 3 0 1000.00 -999 ? >LEU.A 82 -7.53 28.11 -6.89 -8.69 27.19 -5.30 -8.11 27.65 -6.10 3 0 1000.00 -999 ? >ASP.A 83 -3.95 31.99 -3.93 -5.57 32.96 -2.91 -4.76 32.47 -3.42 2 0 1000.00 -999 ? >LEU.A 84 -4.05 25.91 -2.72 -6.03 25.15 -2.96 -5.04 25.53 -2.84 3 0 1000.00 -999 ? >PRO.A 85 -1.45 26.11 1.30 -0.97 26.71 -0.80 -1.21 26.41 0.25 3 0 1000.00 -999 ? >GLY~A 86 2.39 26.29 -3.35 1.85 26.89 -3.45 2.12 26.59 -3.40 1 0 1000.00 -999 ? >TRP~A 87 -0.55 30.81 -3.44 0.05 34.06 -5.59 -0.25 32.43 -4.52 3 0 1000.00 -999 ? >ARG~A 88 4.08 33.79 -3.47 2.35 34.16 -0.95 3.21 33.98 -2.21 2 0 1000.00 -999 ? >ASP~A 89 6.50 26.99 -6.04 7.53 27.99 -4.50 7.01 27.49 -5.27 2 0 1000.00 -999 ? >SER~A 90 3.63 26.63 -9.80 1.54 26.10 -10.88 2.59 26.36 -10.34 2 0 1000.00 -999 ? >ALA~A 91 4.84 26.60 -13.41 5.46 25.38 -14.10 5.15 25.99 -13.75 2 0 1000.00 -999 ? >GLY~A 92 1.40 26.71 -14.93 1.78 27.21 -14.34 1.59 26.96 -14.64 1 0 1000.00 -999 ? >ILE~A 93 0.23 29.55 -11.17 -0.65 29.59 -10.01 -0.21 29.57 -10.59 3 0 1000.00 -999 ? >ARG~A 94 5.43 31.41 -10.70 8.13 32.82 -10.28 6.78 32.12 -10.49 2 0 1000.00 -999 ? >ARG~A 95 2.81 28.59 -19.51 1.08 26.11 -19.02 1.94 27.35 -19.26 2 0 1000.00 -999 ? >GLU~A 96 -1.91 29.83 -17.12 -2.21 28.04 -16.03 -2.06 28.93 -16.58 2 0 1000.00 -999 ? >MET~A 97 -0.56 35.19 -14.81 -0.02 34.67 -10.61 -0.29 34.93 -12.71 2 0 1000.00 -999 ? >GLU~A 98 4.59 36.66 -16.93 4.57 38.69 -17.45 4.58 37.67 -17.19 2 0 1000.00 -999 ? >PHE~A 99 -1.38 34.43 -21.91 -2.99 34.69 -24.19 -2.19 34.56 -23.05 3 0 1000.00 -999 ? >PHE~A 100 -5.06 35.71 -18.44 -6.72 33.71 -19.52 -5.89 34.71 -18.98 3 0 1000.00 -999 ? >GLU~A 101 0.12 41.38 -15.67 -1.52 42.35 -14.85 -0.70 41.86 -15.26 2 0 1000.00 -999 ? >ALA~A 102 0.63 41.23 -20.46 1.72 40.35 -21.09 1.18 40.79 -20.78 2 0 1000.00 -999 ? >GLY~A 103 -2.52 41.12 -22.56 -2.50 41.49 -21.85 -2.51 41.30 -22.20 1 0 1000.00 -999 ? >GLY.A 104 -4.26 43.68 -20.37 -4.44 42.89 -20.35 -4.35 43.29 -20.36 1 0 1000.00 -999 ? >GLN.A 105 -6.97 39.81 -21.13 -7.28 37.90 -22.05 -7.12 38.86 -21.59 2 0 1000.00 -999 ? >ARG^A 106 -10.87 41.14 -12.87 -12.58 41.25 -10.33 -11.73 41.20 -11.60 2 0 1000.00 -999 ? >VAL^A 107 -5.87 38.55 -13.02 -3.79 37.90 -13.46 -4.83 38.23 -13.24 3 0 1000.00 -999 ? >SER^A 108 -7.19 37.82 -9.49 -9.27 38.98 -10.17 -8.23 38.40 -9.83 2 0 1000.00 -999 ? >LEU^A 109 -5.52 35.86 -5.39 -3.37 35.92 -5.54 -4.45 35.89 -5.47 3 0 1000.00 -999 ? >TRP~A 110 -11.11 30.76 -3.65 -14.26 31.57 -5.93 -12.68 31.16 -4.79 3 0 1000.00 -999 ? >SER~A 111 -8.89 34.67 -1.85 -6.57 35.43 -1.73 -7.73 35.05 -1.79 2 0 1000.00 -999 ? >GLU~A 112 -6.94 38.78 -3.68 -5.66 39.44 -5.29 -6.30 39.11 -4.49 2 0 1000.00 -999 ? >VAL~A 113 -12.48 37.69 -5.36 -11.48 37.71 -7.34 -11.98 37.70 -6.35 3 0 1000.00 -999 ? >GLU~A 114 -14.97 33.34 -1.71 -14.11 32.26 -0.10 -14.54 32.80 -0.91 2 0 1000.00 -999 ? >HIS~A 115 -15.83 39.59 -2.43 -14.86 41.05 -3.59 -15.34 40.32 -3.01 3 0 1000.00 -999 ? >GLU~A 116 -15.84 39.63 -6.85 -14.63 40.27 -8.45 -15.24 39.95 -7.65 2 0 1000.00 -999 ? >PHE~A 117 -17.51 34.02 -8.12 -15.79 35.00 -10.15 -16.65 34.51 -9.13 3 0 1000.00 -999 ? >ASN.B -6 -26.77 -7.72 6.41 -25.97 -5.73 6.45 -26.37 -6.72 6.43 2 0 1000.00 -999 ? >LEU.B -5 -25.16 -7.53 12.26 -23.69 -7.09 13.83 -24.42 -7.31 13.04 3 0 1000.00 -999 ? >TYR.B -4 -25.68 -11.96 13.26 -25.91 -10.79 15.80 -25.79 -11.38 14.52 3 0 1000.00 -999 ? >PHE.B -3 -24.31 -11.63 4.72 -24.00 -12.42 2.04 -24.15 -12.03 3.38 3 0 1000.00 -999 ? >GLN.B -2 -21.25 -16.22 7.62 -21.44 -16.90 9.60 -21.34 -16.56 8.61 2 0 1000.00 -999 ? >GLY.B -1 -21.30 -14.95 2.72 -20.76 -14.47 3.08 -21.03 -14.71 2.90 1 0 1000.00 -999 ? >HIS.B 0 -18.76 -10.47 3.01 -19.09 -9.74 4.95 -18.92 -10.10 3.98 3 0 1000.00 -999 ? >MET.B 1 -16.20 -13.69 4.76 -18.01 -12.52 8.41 -17.11 -13.10 6.59 2 0 1000.00 -999 ? >ARG.B 2 -10.10 -14.42 3.35 -7.19 -14.95 2.72 -8.64 -14.69 3.03 2 0 1000.00 -999 ? >LYS^B 3 -13.83 -19.12 6.94 -18.26 -17.76 5.05 -16.04 -18.44 6.00 2 0 1000.00 -999 ? >ILE^B 4 -9.40 -18.55 8.36 -8.54 -17.61 7.96 -8.97 -18.08 8.16 3 0 1000.00 -999 ? >PHE^B 5 -8.43 -24.99 11.12 -7.66 -26.66 13.24 -8.04 -25.83 12.18 3 0 1000.00 -999 ? >LEU^B 6 -5.80 -19.56 12.52 -4.19 -18.09 12.54 -4.99 -18.82 12.53 3 0 1000.00 -999 ? >ALA^B 7 -3.16 -23.55 12.75 -2.90 -24.77 11.82 -3.03 -24.16 12.28 2 0 1000.00 -999 ? >CYH.B 8 0.12 -22.82 14.52 1.22 -20.77 16.12 0.67 -21.79 15.32 2 0 1000.00 -999 ? >PRO.B 9 4.45 -23.27 15.09 2.61 -24.45 15.52 3.53 -23.86 15.30 3 0 1000.00 -999 ? >TYR.B 10 0.38 -25.85 21.19 -0.59 -25.51 23.79 -0.11 -25.68 22.49 3 0 1000.00 -999 ? >SER.B 11 3.99 -28.30 21.55 2.36 -30.04 21.62 3.17 -29.17 21.58 2 0 1000.00 -999 ? >HIS.B 12 9.37 -26.12 22.34 11.41 -25.88 21.88 10.39 -26.00 22.11 3 0 1000.00 -999 ? >ALA.B 13 9.66 -28.94 25.65 11.07 -29.54 25.54 10.36 -29.24 25.60 2 0 1000.00 -999 ? >ASP~B 14 11.02 -24.40 26.23 11.44 -22.72 27.41 11.23 -23.56 26.82 2 0 1000.00 -999 ? >ALA~B 15 6.64 -23.97 28.20 6.10 -24.07 29.67 6.37 -24.02 28.93 2 0 1000.00 -999 ? >GLU~B 16 9.16 -18.30 27.56 7.31 -17.26 27.87 8.24 -17.78 27.71 2 0 1000.00 -999 ? >VAL~B 17 8.11 -21.33 23.68 9.48 -22.39 22.31 8.79 -21.86 23.00 3 0 1000.00 -999 ? >VAL~B 18 4.53 -22.66 23.88 3.67 -24.56 24.57 4.10 -23.61 24.22 3 0 1000.00 -999 ? >GLU~B 19 3.03 -18.06 27.70 1.13 -18.96 28.11 2.08 -18.51 27.91 2 0 1000.00 -999 ? >GLN~B 20 7.40 -16.60 21.61 9.49 -17.10 21.47 8.44 -16.85 21.54 2 0 1000.00 -999 ? >ARG~B 21 5.27 -22.60 19.51 7.12 -24.88 18.57 6.20 -23.74 19.04 2 0 1000.00 -999 ? >PHE~B 22 -1.46 -18.51 23.90 -3.73 -17.56 25.27 -2.60 -18.03 24.59 3 0 1000.00 -999 ? >ARG~B 23 0.06 -13.91 24.94 -1.81 -14.20 27.40 -0.87 -14.05 26.17 2 0 1000.00 -999 ? >ALA~B 24 1.81 -14.81 18.39 3.01 -15.53 17.80 2.41 -15.17 18.09 2 0 1000.00 -999 ? >CYH~B 25 -1.27 -16.78 17.28 -2.72 -19.00 16.54 -2.00 -17.89 16.91 2 0 1000.00 -999 ? >ASN~B 26 -3.37 -14.07 20.73 -3.72 -15.66 22.08 -3.54 -14.87 21.40 2 0 1000.00 -999 ? >GLU~B 27 -0.06 -10.48 18.64 -0.89 -8.59 19.21 -0.48 -9.53 18.92 2 0 1000.00 -999 ? >VAL~B 28 -2.64 -12.98 13.96 -1.43 -14.26 12.62 -2.03 -13.62 13.29 3 0 1000.00 -999 ? >ALA~B 29 -6.18 -14.14 14.90 -6.56 -15.05 16.11 -6.37 -14.59 15.50 2 0 1000.00 -999 ? >ALA~B 30 -6.91 -10.54 16.03 -6.16 -9.74 17.14 -6.53 -10.14 16.58 2 0 1000.00 -999 ? >THR~B 31 -5.71 -9.20 12.63 -3.80 -8.83 11.68 -4.75 -9.02 12.16 2 0 1000.00 -999 ? >ILE~B 32 -7.89 -13.19 10.84 -7.64 -14.48 10.20 -7.76 -13.83 10.52 3 0 1000.00 -999 ? >VAL~B 33 -11.06 -10.82 12.98 -11.89 -11.55 14.91 -11.48 -11.18 13.95 3 0 1000.00 -999 ? >ARG~B 34 -7.87 -4.36 13.87 -5.14 -5.81 14.01 -6.51 -5.09 13.94 2 0 1000.00 -999 ? >ALA~B 35 -10.28 -7.62 8.85 -9.18 -8.43 8.15 -9.73 -8.02 8.50 2 0 1000.00 -999 ? >GLY.B 36 -13.81 -9.07 8.92 -13.22 -9.56 8.83 -13.51 -9.32 8.88 1 0 1000.00 -999 ? >HIS.B 37 -11.96 -12.47 6.58 -11.67 -11.15 4.98 -11.81 -11.81 5.78 3 0 1000.00 -999 ? >VAL^B 38 -14.36 -15.94 10.44 -16.14 -17.17 10.47 -15.25 -16.55 10.46 3 0 1000.00 -999 ? >VAL^B 39 -11.47 -17.69 12.17 -9.68 -16.81 13.19 -10.57 -17.25 12.68 3 0 1000.00 -999 ? >PHE^B 40 -11.26 -23.07 15.16 -10.70 -24.80 17.31 -10.98 -23.93 16.24 3 0 1000.00 -999 ? >SER^B 41 -7.70 -19.96 16.08 -5.99 -18.58 17.03 -6.85 -19.27 16.56 2 0 1000.00 -999 ? >GLN~B 42 -6.56 -25.99 16.98 -5.37 -26.57 18.65 -5.97 -26.28 17.82 2 0 1000.00 -999 ? >VAL~B 43 -4.21 -22.42 19.70 -2.01 -22.38 19.57 -3.11 -22.40 19.63 3 0 1000.00 -999 ? >SER~B 44 -6.03 -19.32 20.98 -5.73 -17.51 19.38 -5.88 -18.41 20.18 2 0 1000.00 -999 ? >MET~B 45 -8.92 -21.45 22.20 -12.84 -23.07 21.27 -10.88 -22.26 21.74 2 0 1000.00 -999 ? >SER~B 46 -7.09 -24.59 23.26 -5.36 -25.26 21.68 -6.22 -24.92 22.47 2 0 1000.00 -999 ? >HIS~B 47 -2.02 -21.89 25.70 -0.41 -21.76 27.05 -1.22 -21.82 26.38 3 0 1000.00 -999 ? >PRO~B 48 -6.60 -19.82 26.58 -5.87 -21.78 27.38 -6.24 -20.80 26.98 3 0 1000.00 -999 ? >ILE~B 49 -9.15 -25.31 27.26 -10.46 -25.56 26.74 -9.81 -25.43 27.00 3 0 1000.00 -999 ? >ASN~B 50 -3.89 -26.92 27.12 -4.47 -27.78 25.26 -4.18 -27.35 26.19 2 0 1000.00 -999 ? >LEU~B 51 -3.57 -23.59 31.40 -1.87 -22.53 30.59 -2.72 -23.06 31.00 3 0 1000.00 -999 ? >CYH~B 52 -6.68 -26.61 33.03 -8.34 -24.40 33.02 -7.51 -25.50 33.03 2 0 1000.00 -999 ? >LEU~B 53 -6.14 -30.50 30.27 -8.06 -30.56 29.24 -7.10 -30.53 29.75 3 0 1000.00 -999 ? >ALA~B 54 -2.60 -30.31 33.62 -2.15 -29.28 34.65 -2.38 -29.80 34.14 2 0 1000.00 -999 ? >GLU.B 55 -5.91 -34.62 34.77 -7.00 -33.01 33.88 -6.45 -33.81 34.32 2 0 1000.00 -999 ? >LEU.B 56 -4.27 -35.02 30.42 -6.32 -35.76 30.58 -5.29 -35.39 30.50 3 0 1000.00 -999 ? >ASP~B 57 0.93 -36.87 29.33 -0.04 -38.65 28.81 0.44 -37.76 29.07 2 0 1000.00 -999 ? >ARG~B 58 1.79 -31.93 23.93 2.61 -29.03 24.70 2.20 -30.48 24.32 2 0 1000.00 -999 ? >ALA~B 59 -0.64 -37.44 24.11 -0.01 -38.84 24.22 -0.32 -38.14 24.16 2 0 1000.00 -999 ? >ALA~B 60 -3.87 -37.65 26.10 -4.00 -37.87 27.62 -3.94 -37.76 26.86 2 0 1000.00 -999 ? >ILE~B 61 -3.68 -32.79 25.92 -3.49 -31.57 26.68 -3.59 -32.18 26.30 3 0 1000.00 -999 ? >GLY~B 62 -3.97 -34.40 21.74 -4.45 -34.85 22.24 -4.21 -34.62 21.99 1 0 1000.00 -999 ? >ARG~B 63 -6.97 -40.92 22.94 -5.73 -42.08 25.47 -6.35 -41.50 24.20 2 0 1000.00 -999 ? >LEU~B 64 -9.01 -34.54 24.61 -9.81 -35.42 26.40 -9.41 -34.98 25.50 3 0 1000.00 -999 ? >TRP~B 65 -6.54 -30.36 22.99 -9.58 -27.86 23.28 -8.06 -29.11 23.13 3 0 1000.00 -999 ? >ALA~B 66 -8.45 -34.44 17.67 -7.88 -35.89 17.57 -8.17 -35.17 17.62 2 0 1000.00 -999 ? >PRO~B 67 -12.57 -35.55 19.18 -11.58 -34.79 17.34 -12.08 -35.17 18.26 3 0 1000.00 -999 ? >VAL~B 68 -12.84 -31.15 18.08 -12.89 -30.19 20.07 -12.86 -30.67 19.08 3 0 1000.00 -999 ? >ASP~B 69 -8.79 -30.17 15.57 -7.77 -29.26 17.18 -8.28 -29.72 16.38 2 0 1000.00 -999 ? >ALA~B 70 -11.76 -32.28 12.99 -11.88 -33.79 13.13 -11.82 -33.03 13.06 2 0 1000.00 -999 ? >PHE~B 71 -17.18 -29.94 14.81 -19.56 -28.47 14.66 -18.37 -29.21 14.74 3 0 1000.00 -999 ? >TYR~B 72 -13.93 -26.07 14.94 -15.49 -25.61 17.20 -14.71 -25.84 16.07 3 0 1000.00 -999 ? >MET~B 73 -11.84 -28.39 9.84 -8.33 -30.60 10.48 -10.08 -29.49 10.16 2 0 1000.00 -999 ? >ASP~B 74 -15.80 -31.02 8.97 -17.20 -31.86 7.63 -16.50 -31.44 8.30 2 0 1000.00 -999 ? >HIS~B 75 -18.73 -27.46 9.99 -19.99 -29.06 10.50 -19.36 -28.26 10.25 3 0 1000.00 -999 ? >LEU~B 76 -12.95 -23.88 8.47 -13.13 -22.79 10.36 -13.04 -23.33 9.42 3 0 1000.00 -999 ? >GLU.B 77 -15.26 -22.12 3.30 -15.84 -23.62 1.96 -15.55 -22.87 2.63 2 0 1000.00 -999 ? >GLU^B 78 -9.06 -20.23 4.38 -8.51 -18.44 3.35 -8.78 -19.34 3.86 2 0 1000.00 -999 ? >LEU^B 79 -5.69 -24.81 6.36 -4.49 -25.78 7.86 -5.09 -25.30 7.11 3 0 1000.00 -999 ? >ILE^B 80 -4.11 -19.28 7.48 -4.10 -17.87 7.05 -4.10 -18.57 7.26 3 0 1000.00 -999 ? >VAL^B 81 -0.62 -22.03 9.02 0.44 -23.92 8.69 -0.09 -22.98 8.86 3 0 1000.00 -999 ? >LEU.B 82 0.58 -18.90 12.53 1.25 -17.00 13.31 0.91 -17.95 12.92 3 0 1000.00 -999 ? >ASP.B 83 4.93 -20.25 8.56 4.88 -18.33 7.62 4.91 -19.29 8.09 2 0 1000.00 -999 ? >LEU.B 84 5.82 -19.64 14.61 4.66 -17.98 15.40 5.24 -18.81 15.01 3 0 1000.00 -999 ? >PRO.B 85 10.82 -19.36 14.09 9.29 -20.92 13.66 10.06 -20.14 13.88 3 0 1000.00 -999 ? >GLY~B 86 9.10 -25.12 14.17 8.75 -24.75 13.53 8.92 -24.94 13.85 1 0 1000.00 -999 ? >TRP~B 87 7.11 -22.75 9.73 5.97 -24.60 6.42 6.54 -23.67 8.07 3 0 1000.00 -999 ? >ARG~B 88 10.36 -25.84 7.01 9.98 -23.76 4.80 10.17 -24.80 5.90 2 0 1000.00 -999 ? >ASP~B 89 9.73 -29.82 13.29 11.51 -29.23 12.44 10.62 -29.52 12.86 2 0 1000.00 -999 ? >SER~B 90 5.06 -30.26 13.52 2.95 -29.42 14.31 4.01 -29.84 13.92 2 0 1000.00 -999 ? >ALA~B 91 3.55 -33.59 12.47 3.71 -34.93 13.20 3.63 -34.26 12.83 2 0 1000.00 -999 ? >GLY~B 92 0.08 -32.24 13.34 0.64 -31.91 12.80 0.36 -32.07 13.07 1 0 1000.00 -999 ? >ILE~B 93 1.45 -28.07 11.27 1.81 -26.72 11.42 1.63 -27.40 11.35 3 0 1000.00 -999 ? >ARG~B 94 4.36 -30.11 8.56 6.26 -29.48 6.20 5.31 -29.80 7.38 2 0 1000.00 -999 ? >ARG~B 95 -1.57 -36.67 11.11 -1.48 -35.56 14.01 -1.52 -36.12 12.56 2 0 1000.00 -999 ? >GLU~B 96 -4.37 -29.79 11.05 -3.50 -28.83 12.74 -3.93 -29.31 11.90 2 0 1000.00 -999 ? >MET~B 97 -2.16 -29.24 5.51 1.54 -27.22 6.15 -0.31 -28.23 5.83 2 0 1000.00 -999 ? >GLU~B 98 -0.31 -33.77 3.85 0.76 -35.49 4.40 0.22 -34.63 4.12 2 0 1000.00 -999 ? >PHE~B 99 -8.27 -32.93 6.43 -11.12 -32.95 6.51 -9.69 -32.94 6.47 3 0 1000.00 -999 ? >PHE~B 100 -7.66 -27.69 5.04 -9.20 -26.73 7.20 -8.43 -27.21 6.12 3 0 1000.00 -999 ? >GLU~B 101 -2.85 -28.98 0.14 -0.77 -29.20 0.25 -1.81 -29.09 0.20 2 0 1000.00 -999 ? >ALA~B 102 -6.60 -33.57 -0.33 -6.49 -34.77 0.67 -6.54 -34.17 0.17 2 0 1000.00 -999 ? >GLY~B 103 -10.09 -32.02 -0.24 -9.47 -31.62 -0.58 -9.78 -31.82 -0.41 1 0 1000.00 -999 ? >GLY.B 104 -9.13 -29.33 -2.77 -9.20 -29.20 -1.98 -9.17 -29.27 -2.37 1 0 1000.00 -999 ? >GLN.B 105 -11.23 -27.33 1.08 -12.23 -27.49 2.94 -11.73 -27.41 2.01 2 0 1000.00 -999 ? >ARG^B 106 -6.32 -19.85 -0.47 -5.02 -17.09 -0.50 -5.67 -18.47 -0.49 2 0 1000.00 -999 ? >VAL^B 107 -3.66 -24.11 2.36 -3.00 -26.08 3.10 -3.33 -25.10 2.73 3 0 1000.00 -999 ? >SER^B 108 -1.47 -21.02 2.86 -3.03 -19.76 1.47 -2.25 -20.39 2.17 2 0 1000.00 -999 ? >LEU^B 109 2.81 -19.96 4.92 3.84 -21.86 4.79 3.33 -20.91 4.85 3 0 1000.00 -999 ? >TRP~B 110 1.30 -14.10 9.54 -2.36 -12.74 8.86 -0.53 -13.42 9.20 3 0 1000.00 -999 ? >SER~B 111 3.80 -15.02 5.78 5.39 -16.78 5.20 4.60 -15.90 5.49 2 0 1000.00 -999 ? >GLU~B 112 3.34 -18.00 1.56 2.67 -20.00 0.98 3.01 -19.00 1.27 2 0 1000.00 -999 ? >VAL~B 113 -1.00 -14.14 2.74 -2.09 -16.05 2.98 -1.54 -15.10 2.86 3 0 1000.00 -999 ? >GLU~B 114 0.53 -9.96 7.03 2.23 -9.81 8.29 1.38 -9.88 7.66 2 0 1000.00 -999 ? >HIS~B 115 -0.38 -9.90 0.48 -0.86 -11.31 -1.00 -0.62 -10.60 -0.26 3 0 1000.00 -999 ? >GLU~B 116 -3.98 -12.28 0.55 -4.52 -14.30 0.07 -4.25 -13.29 0.31 2 0 1000.00 -999 ? >PHE~B 117 -5.95 -11.05 6.26 -6.64 -13.76 5.88 -6.30 -12.41 6.07 3 0 1000.00 -999 ?