REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 20-NOV-06 2NYD COMPND UPF0135 PROTEIN SA1388; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 158879; SOURCE 4 STRAIN: N315; SOURCE 5 GENE: SA1388; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: P-PROEX AUTHOR K.S.SINGH,X.ZHANG,H.ZHANG HET ZN A 401 1 HET ZN A 402 1 HET ZN B 401 1 HET ZN B 402 1 SITE 1 AC1 5 HIS A 64 ASP A 102 GLU A 329 ZN A 402 SITE 1 AC2 6 HIS A 65 HIS A 326 GLU A 329 ZN A 401 SITE 1 AC3 6 HOH A 579 HIS B 65 HIS B 326 GLU B 329 SITE 1 AC4 5 HIS B 64 ASP B 102 GLU B 329 ZN B 401 >ASP.A -1 -34.17 145.98 -27.25 -35.93 146.68 -26.30 -35.05 146.33 -26.77 2 0 33.70 -999 ? ZN ZN A 401 >PRO.A 0 -31.13 146.32 -22.50 -32.25 144.68 -23.58 -31.69 145.50 -23.04 3 0 32.08 -999 ? ZN ZN A 401 >MET.A 1 -34.05 141.05 -22.04 -33.75 136.86 -21.88 -33.90 138.96 -21.96 2 0 23.48 -999 ? ZN ZN A 401 >LYS~A 2 -36.47 141.55 -19.14 -38.98 147.34 -19.86 -37.73 144.45 -19.50 2 0 31.84 -999 ? ZN ZN A 401 >ILE~A 3 -38.49 138.98 -15.47 -37.97 137.73 -14.84 -38.23 138.36 -15.16 3 0 22.07 -999 ? ZN ZN A 401 >ALA~A 4 -41.20 139.17 -19.09 -42.08 140.45 -19.37 -41.64 139.81 -19.23 2 0 25.22 -999 ? ZN ZN A 401 >ASP~A 5 -38.08 139.21 -22.86 -38.80 141.16 -23.24 -38.44 140.18 -23.05 2 0 27.21 -999 ? ZN ZN A 401 >LEU~A 6 -36.76 135.44 -19.21 -35.46 133.73 -18.58 -36.11 134.59 -18.89 3 0 19.73 -999 ? ZN ZN A 401 >MET~A 7 -40.89 134.10 -19.44 -41.36 133.25 -16.31 -41.13 133.67 -17.88 2 0 17.40 -999 ? ZN ZN A 401 >THR~A 8 -42.13 134.27 -23.06 -42.94 135.85 -24.33 -42.54 135.06 -23.69 2 0 23.36 -999 ? ZN ZN A 401 >LEU~A 9 -37.70 132.88 -24.30 -36.09 132.27 -25.62 -36.90 132.57 -24.96 3 0 21.04 -999 ? ZN ZN A 401 >LEU~A 10 -39.23 129.91 -20.19 -37.42 130.19 -18.98 -38.32 130.05 -19.58 3 0 15.72 -999 ? ZN ZN A 401 >ASP~A 11 -44.11 130.33 -22.09 -46.09 129.62 -22.27 -45.10 129.98 -22.18 2 0 18.10 -999 ? ZN ZN A 401 >HIS~A 12 -41.32 129.27 -28.34 -41.29 128.49 -30.29 -41.30 128.88 -29.31 3 0 21.70 -999 ? ZN ZN A 401 >HIS~A 13 -37.83 126.93 -26.50 -37.00 127.82 -28.21 -37.42 127.37 -27.35 3 0 19.28 -999 ? ZN ZN A 401 >VAL~A 14 -41.38 124.40 -22.30 -39.86 123.55 -20.93 -40.62 123.97 -21.62 3 0 12.56 -999 ? ZN ZN A 401 >PRO~A 15 -45.15 124.47 -24.33 -44.42 125.20 -22.34 -44.79 124.84 -23.33 3 0 15.33 -999 ? ZN ZN A 401 >PHE~A 16 -44.69 128.21 -17.73 -42.08 129.17 -17.23 -43.39 128.69 -17.48 3 0 14.00 -999 ? ZN ZN A 401 >SER~A 17 -49.61 124.95 -19.53 -49.72 125.00 -21.92 -49.66 124.97 -20.72 2 0 16.79 -999 ? ZN ZN A 401 >THR~A 18 -48.15 121.40 -19.77 -46.63 121.38 -21.33 -47.39 121.39 -20.55 2 0 13.01 -999 ? ZN ZN A 401 >ALA~A 19 -47.57 121.56 -16.00 -47.15 122.83 -15.24 -47.36 122.20 -15.62 2 0 10.49 -999 ? ZN ZN A 401 >GLU.A 20 -48.90 117.49 -13.24 -50.05 116.06 -14.24 -49.48 116.78 -13.74 2 0 10.86 -999 ? ZN ZN A 401 >SER.A 21 -53.09 121.68 -12.53 -54.91 120.14 -12.04 -54.00 120.91 -12.28 2 0 15.75 -999 ? ZN ZN A 401 >TRP.A 22 -51.58 117.82 -9.56 -47.69 118.06 -9.02 -49.63 117.94 -9.29 3 0 10.39 -999 ? ZN ZN A 401 >ASP.A 23 -47.74 122.17 -10.88 -45.62 122.01 -10.64 -46.68 122.09 -10.76 2 0 8.14 -999 ? ZN ZN A 401 >ASN.A 24 -47.02 126.48 -7.57 -47.15 128.60 -7.27 -47.08 127.54 -7.42 2 0 14.49 -999 ? ZN ZN A 402 >VAL.A 25 -44.96 127.23 -12.01 -45.53 125.57 -13.43 -45.24 126.40 -12.72 3 0 11.37 -999 ? ZN ZN A 401 >GLY^A 26 -43.76 130.44 -13.71 -43.42 130.21 -12.98 -43.59 130.32 -13.35 1 0 14.60 -999 ? ZN ZN A 401 >LEU^A 27 -42.67 135.00 -12.65 -41.41 136.71 -12.15 -42.04 135.85 -12.40 3 0 19.40 -999 ? ZN ZN A 401 >LEU^A 28 -42.50 131.54 -7.72 -43.48 129.62 -8.14 -42.99 130.58 -7.93 3 0 14.58 -999 ? ZN ZN A 402 >ILE^A 29 -40.09 135.28 -5.73 -39.72 135.06 -4.41 -39.90 135.17 -5.07 3 0 18.90 -999 ? ZN ZN A 402 >GLY.A 30 -40.03 138.80 -8.81 -40.82 138.90 -8.71 -40.43 138.85 -8.76 1 0 22.34 -999 ? ZN ZN A 402 >ASP.A 31 -40.02 142.98 -10.54 -40.76 144.80 -11.28 -40.39 143.89 -10.91 2 0 28.20 -999 ? ZN ZN A 401 >GLU.A 32 -43.68 141.75 -15.46 -45.31 141.26 -16.67 -44.49 141.50 -16.06 2 0 25.81 -999 ? ZN ZN A 401 >ASP.A 33 -40.68 145.88 -15.27 -39.90 147.57 -16.36 -40.29 146.73 -15.81 2 0 31.33 -999 ? ZN ZN A 401 >VAL.A 34 -36.56 143.85 -14.36 -35.79 143.59 -12.32 -36.17 143.72 -13.34 3 0 27.36 -999 ? ZN ZN A 401 >GLU.A 35 -33.44 145.48 -18.21 -32.23 147.05 -19.00 -32.84 146.27 -18.61 2 0 32.19 -999 ? ZN ZN A 401 >VAL.A 36 -32.03 139.91 -16.50 -32.72 137.91 -17.11 -32.37 138.91 -16.80 3 0 24.01 -999 ? ZN ZN A 401 >THR.A 37 -28.34 140.20 -15.53 -28.28 141.11 -13.55 -28.31 140.65 -14.54 2 0 27.03 -999 ? ZN ZN A 401 >GLY.A 38 -27.76 136.39 -15.64 -28.52 136.55 -15.28 -28.14 136.47 -15.46 1 0 23.39 -999 ? ZN ZN A 401 >VAL^A 39 -29.46 133.05 -15.02 -31.14 132.56 -16.36 -30.30 132.81 -15.69 3 0 19.11 -999 ? ZN ZN A 401 >LEU^A 40 -28.16 130.78 -11.00 -26.73 129.94 -9.55 -27.44 130.36 -10.28 3 0 18.32 -999 ? ZN ZN A 402 >THR^A 41 -30.25 126.98 -12.77 -29.68 126.19 -14.66 -29.97 126.59 -13.71 2 0 14.11 -999 ? ZN ZN A 401 >ALA^A 42 -31.20 125.03 -9.65 -31.46 126.10 -8.55 -31.33 125.56 -9.10 2 0 12.34 -999 ? ZN ZN A 402 >LEU.A 43 -32.46 120.53 -8.10 -33.63 118.65 -7.87 -33.05 119.59 -7.98 3 0 6.88 -999 ? ZN ZN A 402 >ASP.A 44 -33.96 122.51 -3.83 -35.32 120.86 -3.91 -34.64 121.68 -3.87 2 0 7.09 -999 ? ZN ZN A 402 >CYH.A 45 -33.61 127.04 -4.42 -33.82 129.83 -4.72 -33.72 128.43 -4.57 2 0 14.73 -999 ? ZN ZN A 402 >THR~A 46 -31.91 126.83 -1.04 -30.53 125.17 -1.13 -31.22 126.00 -1.08 2 0 14.02 -999 ? ZN ZN A 402 >LEU~A 47 -30.37 129.88 2.41 -30.31 131.84 3.49 -30.34 130.86 2.95 3 0 20.08 -999 ? ZN ZN A 402 >GLU~A 48 -25.72 127.18 1.29 -24.86 125.22 1.74 -25.29 126.20 1.51 2 0 19.37 -999 ? ZN ZN A 402 >VAL~A 49 -28.26 128.88 -3.99 -29.42 127.54 -5.33 -28.84 128.21 -4.66 3 0 15.97 -999 ? ZN ZN A 402 >VAL~A 50 -29.56 132.44 -3.36 -31.35 133.31 -2.44 -30.45 132.87 -2.90 3 0 19.23 -999 ? ZN ZN A 402 >ASN~A 51 -25.46 132.69 -0.66 -26.43 133.12 1.18 -25.94 132.91 0.26 2 0 22.86 -999 ? ZN ZN A 402 >GLU~A 52 -23.95 130.06 -6.80 -24.35 128.02 -7.40 -24.15 129.04 -7.10 2 0 18.80 -999 ? ZN ZN A 402 >ALA~A 53 -26.69 133.97 -7.40 -28.24 134.00 -7.47 -27.46 133.98 -7.43 2 0 20.65 -999 ? ZN ZN A 402 >ILE~A 54 -26.14 137.31 -3.90 -26.75 137.94 -2.75 -26.44 137.63 -3.32 3 0 25.11 -999 ? ZN ZN A 402 >GLU~A 55 -20.38 134.54 -4.38 -20.41 132.67 -3.34 -20.40 133.61 -3.86 2 0 25.21 -999 ? ZN ZN A 402 >LYS~A 56 -22.18 135.65 -9.28 -21.07 130.49 -8.67 -21.62 133.07 -8.98 2 0 22.91 -999 ? ZN ZN A 402 >GLY~A 57 -24.08 138.90 -9.86 -24.32 138.15 -10.01 -24.20 138.53 -9.93 1 0 27.09 -999 ? ZN ZN A 402 >TYR.A 58 -25.94 134.94 -12.27 -23.89 133.93 -13.91 -24.91 134.43 -13.09 3 0 23.12 -999 ? ZN ZN A 401 >ASN.A 59 -30.92 139.81 -10.79 -31.57 140.22 -12.79 -31.25 140.02 -11.79 2 0 24.94 -999 ? ZN ZN A 401 >THR^A 60 -32.53 135.36 -12.03 -33.54 135.78 -13.89 -33.03 135.57 -12.96 2 0 20.22 -999 ? ZN ZN A 401 >ILE^A 61 -32.73 131.50 -9.15 -32.10 131.10 -7.91 -32.41 131.30 -8.53 3 0 16.29 -999 ? ZN ZN A 402 >ILE^A 62 -34.66 128.81 -14.07 -35.18 128.94 -15.41 -34.92 128.88 -14.74 3 0 13.50 -999 ? ZN ZN A 401 >SER^A 63 -35.41 126.07 -10.22 -37.10 126.62 -8.50 -36.26 126.34 -9.36 2 0 10.35 -999 ? ZN ZN A 402 >HIS.A 64 -37.47 120.38 -11.48 -38.85 119.05 -12.30 -38.16 119.72 -11.89 3 0 -3.42 -999 ? ZN ZN A 401s >HIS.A 65 -38.08 120.38 -6.61 -37.64 118.32 -6.74 -37.86 119.35 -6.68 3 0 -3.39 -999 ? ZN ZN A 402s >PRO.A 66 -43.08 123.92 -6.98 -40.98 124.77 -6.91 -42.03 124.34 -6.94 3 0 8.40 -999 ? ZN ZN A 402 >LEU.A 67 -39.04 128.48 -3.57 -37.88 129.26 -1.90 -38.46 128.87 -2.74 3 0 13.44 -999 ? ZN ZN A 402 >ILE.A 68 -44.13 129.68 -3.22 -44.58 130.96 -2.87 -44.35 130.32 -3.05 3 0 15.54 -999 ? ZN ZN A 402 >PHE.A 69 -46.18 122.83 -3.97 -47.90 120.78 -4.97 -47.04 121.81 -4.47 3 0 10.08 -999 ? ZN ZN A 402 >LYS.A 70 -48.76 125.53 -1.26 -51.29 120.16 0.88 -50.03 122.85 -0.19 2 0 15.41 -999 ? ZN ZN A 402 >GLY.A 71 -49.58 129.10 -0.33 -49.28 128.51 0.13 -49.43 128.81 -0.10 1 0 18.01 -999 ? ZN ZN A 402 >VAL.A 72 -47.19 130.73 2.20 -45.60 131.91 1.17 -46.40 131.32 1.69 3 0 19.08 -999 ? ZN ZN A 402 >THR.A 73 -49.05 131.67 5.33 -50.19 130.43 6.72 -49.62 131.05 6.02 2 0 23.01 -999 ? ZN ZN A 402 >SER.A 74 -46.26 133.87 6.68 -45.29 132.68 8.50 -45.77 133.27 7.59 2 0 23.85 -999 ? ZN ZN A 402 >LEU.A 75 -43.03 136.26 4.40 -43.71 135.60 2.39 -43.37 135.93 3.39 3 0 22.88 -999 ? ZN ZN A 402 >LYS.A 76 -40.70 135.50 8.63 -43.88 132.62 12.69 -42.29 134.06 10.66 2 0 26.59 -999 ? ZN ZN A 402 >ALA.A 77 -36.92 135.43 9.04 -36.12 136.57 9.66 -36.52 136.00 9.35 2 0 26.87 -999 ? ZN ZN A 402 >ASN.A 78 -37.79 131.52 10.85 -37.74 129.57 11.59 -37.76 130.55 11.22 2 0 23.55 -999 ? ZN ZN A 402 >GLY~A 79 -37.15 128.46 7.52 -36.89 129.22 7.25 -37.02 128.84 7.38 1 0 19.65 -999 ? ZN ZN A 402 >TYR~A 80 -39.16 126.74 3.00 -38.55 124.04 2.52 -38.86 125.39 2.76 3 0 13.91 -999 ? ZN ZN A 402 >GLY~A 81 -39.26 132.56 4.99 -38.51 132.20 4.81 -38.89 132.38 4.90 1 0 20.61 -999 ? ZN ZN A 402 >LEU~A 82 -34.58 132.38 5.82 -33.49 132.79 7.64 -34.04 132.59 6.73 3 0 22.37 -999 ? ZN ZN A 402 >ILE~A 83 -35.09 130.83 0.93 -34.69 129.58 0.43 -34.89 130.21 0.68 3 0 16.75 -999 ? ZN ZN A 402 >ILE~A 84 -39.50 133.79 0.55 -40.78 133.29 0.43 -40.14 133.54 0.49 3 0 19.03 -999 ? ZN ZN A 402 >ARG~A 85 -38.62 137.12 5.68 -38.61 140.01 6.80 -38.61 138.57 6.24 2 0 27.75 -999 ? ZN ZN A 402 >LYS~A 86 -33.51 137.11 0.86 -27.79 135.78 2.74 -30.65 136.44 1.80 2 0 24.82 -999 ? ZN ZN A 402 >LEU~A 87 -35.61 135.87 -3.39 -35.17 133.86 -4.16 -35.39 134.86 -3.78 3 0 19.21 -999 ? ZN ZN A 402 >ILE~A 88 -38.22 139.89 -1.64 -39.64 139.99 -1.52 -38.93 139.94 -1.58 3 0 24.29 -999 ? ZN ZN A 402 >GLN~A 89 -35.15 142.23 1.94 -34.95 141.76 3.99 -35.05 141.99 2.96 2 0 28.26 -999 ? ZN ZN A 402 >HIS~A 90 -30.00 140.26 -1.63 -28.87 140.48 0.12 -29.44 140.37 -0.76 3 0 26.77 -999 ? ZN ZN A 402 >ASP.A 91 -33.63 143.19 -6.63 -34.37 144.83 -5.55 -34.00 144.01 -6.09 2 0 28.84 -999 ? ZN ZN A 402 >ILE.A 92 -32.76 137.13 -6.54 -31.42 137.13 -7.09 -32.09 137.13 -6.81 3 0 21.85 -999 ? ZN ZN A 402 >ASN^A 93 -36.46 137.39 -10.90 -36.25 139.51 -10.83 -36.35 138.45 -10.87 2 0 23.13 -999 ? ZN ZN A 401 >LEU^A 94 -37.42 132.61 -7.62 -37.01 130.51 -7.07 -37.22 131.56 -7.35 3 0 15.20 -999 ? ZN ZN A 402 >ILE^A 95 -38.44 131.41 -13.33 -38.48 131.95 -14.59 -38.46 131.68 -13.96 3 0 15.30 -999 ? ZN ZN A 401 >ALA^A 96 -40.12 127.57 -11.44 -41.05 127.23 -10.25 -40.58 127.40 -10.84 2 0 10.78 -999 ? ZN ZN A 401 >MET.A 97 -40.12 125.15 -14.40 -37.74 126.83 -17.40 -38.93 125.99 -15.90 2 0 11.93 -999 ? ZN ZN A 401 >HIS~A 98 -42.20 121.23 -10.32 -42.26 119.61 -8.99 -42.23 120.42 -9.65 3 0 4.98 -999 ? ZN ZN A 401 >THR~A 99 -43.91 119.63 -14.00 -45.67 119.24 -12.83 -44.79 119.44 -13.42 2 0 6.77 -999 ? ZN ZN A 401 >ASN~A 100 -44.05 122.82 -17.82 -42.95 124.35 -16.78 -43.50 123.59 -17.30 2 0 9.95 -999 ? ZN ZN A 401 >LEU~A 101 -38.90 120.96 -16.59 -36.79 121.30 -17.27 -37.84 121.13 -16.93 3 0 7.27 -999 ? ZN ZN A 401 >ASP~A 102 -41.70 116.42 -14.94 -40.64 116.61 -13.15 -41.17 116.52 -14.05 2 0 -1.98 -999 ? ZN ZN A 401s >VAL~A 103 -43.08 116.22 -19.23 -45.08 116.92 -18.60 -44.08 116.57 -18.91 3 0 8.69 -999 ? ZN ZN A 401 >ASN.A 104 -40.15 119.29 -21.61 -39.88 120.42 -23.44 -40.01 119.85 -22.52 2 0 12.54 -999 ? ZN ZN A 401 >PRO.A 105 -41.23 116.98 -26.08 -39.87 116.51 -24.35 -40.55 116.74 -25.22 3 0 13.76 -999 ? ZN ZN A 401 >TYR.A 106 -35.63 118.61 -26.09 -35.73 117.84 -28.73 -35.68 118.23 -27.41 3 0 16.47 -999 ? ZN ZN A 401 >GLY~A 107 -36.84 117.84 -20.01 -36.52 117.15 -20.30 -36.68 117.50 -20.16 1 0 9.03 -999 ? ZN ZN A 401 >VAL~A 108 -36.00 115.90 -16.85 -36.58 116.24 -14.73 -36.29 116.07 -15.79 3 0 5.43 -999 ? ZN ZN A 401 >ASN~A 109 -37.82 111.74 -18.14 -38.65 111.91 -16.17 -38.24 111.83 -17.15 2 0 6.71 -999 ? ZN ZN A 401 >MET~A 110 -34.67 112.93 -21.56 -33.56 112.87 -24.58 -34.12 112.90 -23.07 2 0 14.89 -999 ? ZN ZN A 401 >MET~A 111 -31.92 114.42 -19.41 -32.73 118.27 -18.08 -32.32 116.35 -18.75 2 0 9.64 -999 ? ZN ZN A 401 >LEU~A 112 -32.96 110.91 -16.20 -33.15 111.44 -14.07 -33.06 111.18 -15.13 3 0 9.24 -999 ? ZN ZN A 401 >ALA~A 113 -31.81 108.96 -20.05 -32.90 108.80 -21.03 -32.35 108.88 -20.54 2 0 14.03 -999 ? ZN ZN A 401 >LYS~A 114 -28.96 110.92 -21.77 -28.27 111.19 -26.80 -28.61 111.06 -24.28 2 0 19.79 -999 ? ZN ZN A 401 >VAL~A 115 -26.88 110.98 -18.55 -26.78 112.31 -16.83 -26.83 111.64 -17.69 3 0 15.02 -999 ? ZN ZN A 401 >MET~A 116 -27.36 107.17 -18.44 -30.84 106.22 -16.40 -29.10 106.69 -17.42 2 0 14.45 -999 ? ZN ZN A 401 >GLY.A 117 -26.13 106.90 -22.05 -26.86 106.68 -21.78 -26.50 106.79 -21.92 1 0 19.67 -999 ? ZN ZN A 401 >LEU.A 118 -30.67 105.34 -22.45 -30.63 104.16 -20.59 -30.65 104.75 -21.52 3 0 17.93 -999 ? ZN ZN A 401 >LYS^A 119 -30.64 105.03 -26.92 -25.62 104.22 -28.46 -28.13 104.62 -27.69 2 0 25.23 -999 ? ZN ZN A 401 >ASN^A 120 -34.37 103.73 -29.04 -33.12 102.96 -30.64 -33.75 103.34 -29.84 2 0 24.40 -999 ? ZN ZN A 401 >ILE^A 121 -34.60 108.69 -25.43 -33.78 109.31 -24.53 -34.19 109.00 -24.98 3 0 16.40 -999 ? ZN ZN A 401 >SER^A 122 -39.13 108.46 -26.41 -40.41 106.51 -26.99 -39.77 107.49 -26.70 2 0 18.54 -999 ? ZN ZN A 401 >ILE^A 123 -42.37 111.59 -24.59 -42.44 112.43 -23.33 -42.41 112.01 -23.96 3 0 13.60 -999 ? ZN ZN A 401 >ILE.A 124 -43.81 106.60 -21.82 -42.93 105.72 -21.17 -43.37 106.16 -21.49 3 0 14.97 -999 ? ZN ZN A 401 >ASN.A 125 -47.13 108.77 -19.31 -46.75 106.92 -18.35 -46.94 107.84 -18.83 2 0 13.89 -999 ? ZN ZN A 401 >ASN^A 126 -48.36 110.95 -24.95 -46.52 110.11 -25.61 -47.44 110.53 -25.28 2 0 17.03 -999 ? ZN ZN A 401 >GLN^A 127 -49.65 115.70 -21.12 -49.19 117.77 -20.58 -49.42 116.73 -20.85 2 0 13.29 -999 ? ZN ZN A 401 >GLN^A 128 -55.05 112.28 -25.15 -54.74 111.48 -27.13 -54.89 111.88 -26.14 2 0 22.39 -999 ? ZN ZN A 401 >ASP^A 129 -52.93 118.26 -28.24 -51.00 118.44 -27.37 -51.97 118.35 -27.80 2 0 19.65 -999 ? ZN ZN A 401 >VAL^A 130 -57.44 119.12 -28.28 -59.29 119.23 -27.10 -58.36 119.17 -27.69 3 0 24.94 -999 ? ZN ZN A 401 >TYR^A 131 -56.56 119.62 -34.10 -57.10 118.87 -36.76 -56.83 119.25 -35.43 3 0 29.63 -999 ? ZN ZN A 401 >TYR^A 132 -62.09 122.49 -32.07 -63.03 122.42 -29.44 -62.56 122.46 -30.76 3 0 30.56 -999 ? ZN ZN A 401 >LYS^A 133 -61.15 120.63 -37.55 -60.60 115.73 -40.56 -60.88 118.18 -39.05 2 0 35.89 -999 ? ZN ZN A 401 >VAL^A 134 -63.32 123.46 -38.85 -63.00 125.51 -38.16 -63.16 124.48 -38.51 3 0 36.72 -999 ? ZN ZN A 401 >GLN^A 135 -65.58 120.25 -41.64 -66.45 118.31 -41.51 -66.01 119.28 -41.57 2 0 40.33 -999 ? ZN ZN A 401 >GLU.A 199 -61.23 119.64 -44.31 -61.84 117.61 -44.13 -61.54 118.62 -44.22 2 0 39.53 -999 ? ZN ZN A 401 >PHE^A 200 -59.41 125.80 -41.67 -61.08 127.73 -40.51 -60.25 126.76 -41.09 3 0 37.51 -999 ? ZN ZN A 401 >MET^A 201 -57.11 122.98 -38.47 -53.56 121.40 -36.82 -55.34 122.19 -37.65 2 0 29.33 -999 ? ZN ZN A 401 >ILE^A 202 -58.55 126.16 -35.21 -59.50 126.41 -34.93 -59.03 126.28 -35.07 3 0 32.06 -999 ? ZN ZN A 401 >ASP.A 203 -54.58 125.94 -31.48 -53.46 125.13 -29.87 -54.02 125.54 -30.67 2 0 24.56 -999 ? ZN ZN A 401 >ALA.A 204 -57.53 125.49 -28.34 -56.79 125.26 -27.00 -57.16 125.38 -27.67 2 0 24.74 -999 ? ZN ZN A 401 >TYR~A 205 -55.75 130.32 -28.70 -53.61 130.45 -30.51 -54.68 130.38 -29.61 3 0 27.31 -999 ? ZN ZN A 401 >GLN~A 206 -56.34 129.02 -32.98 -55.36 128.52 -34.82 -55.85 128.77 -33.90 2 0 30.58 -999 ? ZN ZN A 401 >LYS~A 207 -62.26 128.30 -31.49 -66.46 124.09 -29.25 -64.36 126.20 -30.37 2 0 33.08 -999 ? ZN ZN A 401 >SER~A 208 -63.56 131.66 -30.21 -62.69 131.40 -27.94 -63.13 131.53 -29.08 2 0 31.99 -999 ? ZN ZN A 401 >ARG~A 209 -58.90 136.31 -33.11 -57.17 134.66 -31.15 -58.03 135.48 -32.13 2 0 31.96 -999 ? ZN ZN A 401 >ALA~A 210 -62.81 131.70 -35.70 -62.36 130.26 -35.83 -62.59 130.98 -35.76 2 0 36.02 -999 ? ZN ZN A 401 >GLU~A 211 -67.20 130.35 -33.30 -67.69 130.05 -31.26 -67.44 130.20 -32.28 2 0 36.90 -999 ? ZN ZN A 401 >GLN~A 212 -65.29 137.79 -32.68 -64.16 139.42 -33.49 -64.73 138.61 -33.08 2 0 40.10 -999 ? ZN ZN A 401 >THR.A 222 -75.93 133.92 -42.23 -77.77 133.18 -43.21 -76.85 133.55 -42.72 2 0 52.34 -999 ? ZN ZN A 401 >PRO.A 223 -71.84 132.91 -41.38 -73.56 131.80 -42.39 -72.70 132.36 -41.88 3 0 47.63 -999 ? ZN ZN A 401 >VAL.A 224 -73.52 127.48 -41.49 -75.21 126.07 -41.86 -74.36 126.78 -41.67 3 0 47.17 -999 ? ZN ZN A 401 >PHE.A 225 -69.45 128.20 -38.50 -69.89 129.88 -36.28 -69.67 129.04 -37.39 3 0 41.61 -999 ? ZN ZN A 401 >ASP^A 226 -69.19 121.99 -38.15 -70.92 121.97 -39.34 -70.06 121.98 -38.74 2 0 42.28 -999 ? ZN ZN A 401 >PHE^A 227 -65.47 125.21 -34.29 -64.76 127.80 -35.05 -65.12 126.51 -34.67 3 0 35.88 -999 ? ZN ZN A 401 >ILE^A 228 -65.13 118.23 -36.02 -65.75 117.14 -36.80 -65.44 117.69 -36.41 3 0 35.94 -999 ? ZN ZN A 401 >GLU^A 229 -62.71 117.83 -29.19 -63.22 116.50 -27.60 -62.97 117.16 -28.40 2 0 28.63 -999 ? ZN ZN A 401 >ILE^A 230 -59.63 116.03 -34.09 -59.81 115.87 -35.09 -59.72 115.95 -34.59 3 0 30.67 -999 ? ZN ZN A 401 >LYS^A 231 -57.94 114.56 -29.95 -58.70 114.72 -24.54 -58.32 114.64 -27.24 2 0 23.23 -999 ? ZN ZN A 401 >GLN^A 232 -52.55 115.38 -32.30 -52.47 116.91 -33.77 -52.51 116.14 -33.03 2 0 25.75 -999 ? ZN ZN A 401 >THR^A 233 -51.48 112.38 -28.84 -50.80 110.31 -28.76 -51.14 111.35 -28.80 2 0 21.55 -999 ? ZN ZN A 401 >SER^A 234 -49.27 115.09 -27.36 -48.74 116.76 -25.71 -49.00 115.92 -26.54 2 0 16.92 -999 ? ZN ZN A 401 >LEU^A 235 -44.76 116.61 -28.29 -44.24 116.75 -30.43 -44.50 116.68 -29.36 3 0 18.54 -999 ? ZN ZN A 401 >TYR^A 236 -45.72 118.51 -24.14 -44.72 120.68 -25.62 -45.22 119.59 -24.88 3 0 14.83 -999 ? ZN ZN A 401 >GLY^A 237 -45.65 113.20 -21.30 -44.96 113.62 -21.16 -45.30 113.41 -21.23 1 0 12.04 -999 ? ZN ZN A 401 >LEU.A 238 -45.26 112.00 -16.65 -44.49 112.40 -14.60 -44.87 112.20 -15.62 3 0 8.05 -999 ? ZN ZN A 401 >GLY.A 239 -41.47 109.72 -18.36 -41.63 110.22 -18.97 -41.55 109.97 -18.67 1 0 9.93 -999 ? ZN ZN A 401 >VAL^A 240 -39.36 108.32 -21.22 -37.48 109.56 -21.24 -38.42 108.94 -21.23 3 0 12.47 -999 ? ZN ZN A 401 >MET^A 241 -38.84 104.75 -22.44 -40.00 101.63 -21.58 -39.42 103.19 -22.01 2 0 18.08 -999 ? ZN ZN A 401 >ALA^A 242 -35.28 104.10 -23.67 -34.41 105.16 -22.99 -34.84 104.63 -23.33 2 0 17.05 -999 ? ZN ZN A 401 >GLU^A 243 -33.02 100.94 -26.53 -34.09 99.87 -28.01 -33.56 100.40 -27.27 2 0 24.16 -999 ? ZN ZN A 401 >VAL^A 244 -29.29 100.10 -23.42 -29.22 98.81 -21.66 -29.25 99.46 -22.54 3 0 22.88 -999 ? ZN ZN A 401 >ASP^A 245 -25.62 99.57 -26.57 -25.42 101.64 -26.90 -25.52 100.60 -26.73 2 0 25.73 -999 ? ZN ZN A 401 >ASN^A 246 -25.31 95.10 -25.18 -24.51 95.46 -27.08 -24.91 95.28 -26.13 2 0 30.29 -999 ? ZN ZN A 401 >GLN^A 247 -29.97 91.66 -21.94 -30.44 89.69 -22.53 -30.20 90.67 -22.23 2 0 30.51 -999 ? ZN ZN A 401 >MET^A 248 -27.22 93.82 -19.14 -26.10 97.87 -18.66 -26.66 95.85 -18.90 2 0 24.18 -999 ? ZN ZN A 401 >THR^A 249 -28.13 92.44 -15.75 -26.55 91.22 -14.88 -27.34 91.83 -15.31 2 0 28.75 -999 ? ZN ZN A 401 >LEU~A 250 -31.53 93.90 -12.58 -33.05 95.11 -11.68 -32.29 94.50 -12.13 3 0 23.30 -999 ? ZN ZN A 401 >GLU~A 251 -25.70 93.68 -9.35 -24.99 91.85 -8.59 -25.34 92.77 -8.97 2 0 26.78 -999 ? ZN ZN B 401 >ASP~A 252 -24.45 95.00 -14.78 -23.16 93.40 -14.21 -23.81 94.20 -14.50 2 0 28.57 -999 ? ZN ZN A 401 >PHE~A 253 -29.44 99.49 -16.08 -30.76 101.88 -16.92 -30.10 100.68 -16.50 3 0 19.21 -999 ? ZN ZN A 401 >ALA~A 254 -28.06 99.81 -11.39 -28.64 99.01 -10.20 -28.35 99.41 -10.79 2 0 20.55 -999 ? ZN ZN A 402 >ALA~A 255 -24.26 100.00 -10.80 -23.24 98.73 -10.72 -23.75 99.36 -10.76 2 0 24.05 -999 ? ZN ZN A 402 >ASP~A 256 -24.24 101.11 -15.51 -23.37 102.12 -17.14 -23.80 101.61 -16.33 2 0 22.47 -999 ? ZN ZN A 401 >ILE~A 257 -27.83 104.40 -13.77 -29.11 103.71 -14.11 -28.47 104.05 -13.94 3 0 16.95 -999 ? ZN ZN A 401 >LYS~A 258 -25.04 104.86 -9.89 -22.57 102.68 -4.34 -23.81 103.77 -7.11 2 0 21.92 -999 ? ZN ZN A 402 >SER~A 259 -21.63 105.68 -11.35 -19.60 105.39 -12.58 -20.61 105.53 -11.96 2 0 22.94 -999 ? ZN ZN A 401 >LYS~A 260 -22.91 107.85 -14.23 -23.69 104.38 -19.46 -23.30 106.11 -16.84 2 0 21.58 -999 ? ZN ZN A 401 >LEU~A 261 -26.62 109.63 -11.66 -28.35 109.88 -12.96 -27.49 109.76 -12.31 3 0 13.92 -999 ? ZN ZN A 401 >ASN.A 262 -21.99 111.54 -9.12 -20.99 112.00 -10.95 -21.49 111.77 -10.03 2 0 19.00 -999 ? ZN ZN A 402 >ILE.A 263 -26.34 107.74 -7.11 -27.75 107.67 -7.57 -27.04 107.71 -7.34 3 0 15.01 -999 ? ZN ZN A 402 >PRO.A 264 -24.38 109.93 -2.61 -24.17 107.98 -3.72 -24.28 108.96 -3.17 3 0 17.38 -999 ? ZN ZN A 402 >SER.A 265 -26.26 104.74 -2.86 -27.40 103.51 -1.11 -26.83 104.13 -1.98 2 0 18.83 -999 ? ZN ZN A 402 >VAL.A 266 -28.67 103.03 -5.24 -28.58 103.20 -7.46 -28.62 103.11 -6.35 3 0 17.13 -999 ? ZN ZN A 402 >ARG^A 267 -33.35 101.79 -1.64 -34.99 103.61 0.18 -34.17 102.70 -0.73 2 0 13.45 -999 ? ZN ZN B 401 >PHE^A 268 -31.28 96.31 -7.83 -29.38 94.26 -7.46 -30.33 95.29 -7.65 3 0 21.77 -999 ? ZN ZN B 401 >VAL^A 269 -35.99 95.53 -6.65 -37.89 96.14 -5.69 -36.94 95.83 -6.17 3 0 16.91 -999 ? ZN ZN B 401 >GLY.A 270 -35.76 92.29 -8.66 -35.13 92.39 -8.06 -35.45 92.34 -8.36 1 0 20.46 -999 ? ZN ZN B 401 >GLU.A 271 -34.83 87.36 -9.28 -34.64 86.91 -7.21 -34.74 87.13 -8.24 2 0 22.11 -999 ? ZN ZN B 401 >SER.A 272 -29.78 90.76 -9.64 -28.14 89.32 -8.60 -28.96 90.04 -9.12 2 0 25.47 -999 ? ZN ZN B 401 >ASN.A 273 -28.95 87.11 -12.66 -30.56 85.68 -12.38 -29.75 86.40 -12.52 2 0 28.39 -999 ? ZN ZN B 401 >GLN.A 274 -34.74 90.10 -12.94 -36.29 89.21 -14.09 -35.52 89.65 -13.52 2 0 26.07 -999 ? ZN ZN B 401 >LYS^A 275 -31.91 90.95 -17.97 -26.97 90.03 -19.32 -29.44 90.49 -18.65 2 0 30.46 -999 ? ZN ZN A 401 >ILE^A 276 -31.97 95.64 -17.87 -33.06 95.94 -17.17 -32.51 95.79 -17.52 3 0 22.81 -999 ? ZN ZN A 401 >LYS^A 277 -32.97 96.06 -22.32 -30.26 96.48 -27.01 -31.62 96.27 -24.67 2 0 27.09 -999 ? ZN ZN A 401 >ARG^A 278 -38.45 97.22 -24.87 -40.97 98.73 -25.80 -39.71 97.97 -25.34 2 0 22.96 -999 ? ZN ZN A 401 >ILE^A 279 -34.59 101.64 -18.97 -33.55 101.51 -18.77 -34.07 101.57 -18.87 3 0 17.65 -999 ? ZN ZN A 401 >ALA^A 280 -38.75 103.47 -18.17 -40.17 102.98 -17.87 -39.46 103.23 -18.02 2 0 15.08 -999 ? ZN ZN A 401 >ILE^A 281 -36.33 107.19 -16.77 -34.94 107.51 -16.91 -35.63 107.35 -16.84 3 0 11.41 -999 ? ZN ZN A 401 >ILE.A 282 -41.08 108.84 -13.73 -42.55 109.16 -13.89 -41.82 109.00 -13.81 3 0 8.29 -999 ? ZN ZN A 401 >GLY.A 283 -37.34 111.36 -12.24 -38.16 111.32 -12.20 -37.75 111.34 -12.22 1 0 5.77 -999 ? ZN ZN A 401 >GLY.A 284 -38.37 112.47 -8.74 -38.34 111.64 -8.92 -38.35 112.05 -8.83 1 0 4.19 -999 ? ZN ZN A 402 >SER.A 285 -41.15 110.37 -7.29 -42.42 110.07 -5.23 -41.78 110.22 -6.26 2 0 7.68 -999 ? ZN ZN A 402 >GLY.A 286 -42.79 108.31 -9.97 -42.74 107.91 -9.28 -42.76 108.11 -9.63 1 0 9.05 -999 ? ZN ZN A 401 >ILE.A 287 -43.85 104.89 -6.57 -43.55 103.40 -6.68 -43.70 104.14 -6.63 3 0 13.22 -999 ? ZN ZN A 402 >GLY.A 288 -47.81 104.86 -9.26 -47.13 104.59 -9.75 -47.47 104.72 -9.51 1 0 14.54 -999 ? ZN ZN A 401 >TYR~A 289 -46.60 106.88 -13.53 -48.07 109.27 -13.63 -47.33 108.07 -13.58 3 0 11.74 -999 ? ZN ZN A 401 >GLU~A 290 -44.60 100.09 -10.25 -45.29 101.54 -8.87 -44.95 100.82 -9.56 2 0 16.18 -999 ? ZN ZN A 402 >TYR~A 291 -48.19 97.96 -11.45 -47.23 97.05 -8.98 -47.71 97.51 -10.21 3 0 19.48 -999 ? ZN ZN B 401 >GLN~A 292 -50.01 102.63 -16.47 -50.74 104.11 -17.85 -50.37 103.37 -17.16 2 0 17.94 -999 ? ZN ZN A 401 >ALA~A 293 -44.42 101.07 -17.63 -43.28 101.58 -16.75 -43.85 101.32 -17.19 2 0 16.37 -999 ? ZN ZN A 401 >VAL~A 294 -44.19 97.29 -17.65 -43.88 95.69 -16.18 -44.03 96.49 -16.92 3 0 21.33 -999 ? ZN ZN A 401 >GLN~A 295 -49.34 96.76 -18.25 -49.27 94.63 -18.57 -49.31 95.70 -18.41 2 0 25.07 -999 ? ZN ZN A 401 >GLN~A 296 -46.68 102.14 -21.54 -46.53 103.91 -20.23 -46.60 103.02 -20.88 2 0 16.93 -999 ? ZN ZN A 401 >GLY.A 297 -42.64 97.26 -22.49 -42.62 97.67 -21.88 -42.63 97.46 -22.18 1 0 22.49 -999 ? ZN ZN A 401 >ALA.A 298 -40.16 98.25 -19.72 -40.31 99.39 -18.70 -40.23 98.82 -19.21 2 0 18.70 -999 ? ZN ZN A 401 >ASP.A 299 -36.54 95.17 -18.71 -36.75 94.18 -20.57 -36.65 94.68 -19.64 2 0 24.38 -999 ? ZN ZN A 401 >VAL^A 300 -37.31 98.05 -15.24 -35.26 98.67 -14.63 -36.28 98.36 -14.93 3 0 18.88 -999 ? ZN ZN A 401 >PHE^A 301 -40.93 102.60 -13.06 -42.03 105.12 -12.64 -41.48 103.86 -12.85 3 0 12.99 -999 ? ZN ZN A 401 >VAL^A 302 -36.35 103.87 -12.63 -34.29 104.02 -13.41 -35.32 103.94 -13.02 3 0 13.47 -999 ? ZN ZN A 401 >THR^A 303 -37.48 106.60 -10.18 -39.53 106.67 -9.37 -38.51 106.63 -9.77 2 0 9.94 -999 ? ZN ZN A 402 >GLY.A 304 -36.73 108.01 -6.68 -37.53 107.81 -6.81 -37.13 107.91 -6.74 1 0 8.93 -999 ? ZN ZN A 402 >ASP.A 305 -39.33 109.24 -3.42 -38.58 111.13 -2.57 -38.96 110.19 -2.99 2 0 7.62 -999 ? ZN ZN A 402 >ILE.A 306 -38.75 103.22 -4.27 -38.82 102.34 -5.47 -38.79 102.78 -4.87 3 0 14.07 -999 ? ZN ZN A 402 >LYS~A 307 -40.89 103.09 -0.15 -45.35 106.49 1.62 -43.12 104.79 0.74 2 0 10.65 -999 ? ZN ZN B 401 >HIS~A 308 -41.00 97.85 3.28 -40.98 95.80 3.73 -40.99 96.83 3.51 3 0 6.49 -999 ? ZN ZN B 401 >HIS~A 309 -45.80 98.45 2.85 -45.82 97.45 4.71 -45.81 97.95 3.78 3 0 5.45 -999 ? ZN ZN B 401 >ASP~A 310 -44.34 101.21 -3.37 -45.95 102.39 -2.67 -45.15 101.80 -3.02 2 0 12.24 -999 ? ZN ZN B 401 >ALA~A 311 -41.15 97.96 -3.49 -39.81 98.24 -2.76 -40.48 98.10 -3.12 2 0 12.40 -999 ? ZN ZN B 401 >LEU~A 312 -42.97 94.69 -0.33 -43.02 92.95 1.02 -43.00 93.82 0.35 3 0 9.93 -999 ? ZN ZN B 401 >ASP~A 313 -46.65 96.06 -4.18 -47.89 96.35 -2.43 -47.27 96.21 -3.30 2 0 12.18 -999 ? ZN ZN B 401 >ALA~A 314 -43.51 95.31 -7.19 -42.51 96.46 -7.49 -43.01 95.89 -7.34 2 0 16.60 -999 ? ZN ZN B 401 >LYS~A 315 -41.26 92.47 -6.07 -36.28 89.98 -4.98 -38.77 91.22 -5.53 2 0 18.17 -999 ? ZN ZN B 401 >ILE~A 316 -45.28 90.15 -4.45 -45.68 89.80 -3.16 -45.48 89.97 -3.81 3 0 15.52 -999 ? ZN ZN B 401 >HIS~A 317 -47.71 92.42 -8.32 -49.42 92.44 -7.12 -48.57 92.43 -7.72 3 0 18.34 -999 ? ZN ZN B 401 >GLY.A 318 -42.31 90.61 -10.78 -42.69 91.31 -10.63 -42.50 90.96 -10.70 1 0 21.36 -999 ? ZN ZN B 401 >VAL.A 319 -41.97 94.33 -11.50 -43.49 95.81 -11.95 -42.73 95.07 -11.73 3 0 20.98 -999 ? ZN ZN B 401 >ASN.A 320 -37.23 94.97 -12.31 -37.23 92.90 -12.72 -37.23 93.94 -12.52 2 0 23.41 -999 ? ZN ZN B 401 >LEU^A 321 -38.24 99.25 -8.68 -40.42 99.39 -8.43 -39.33 99.32 -8.55 3 0 17.19 -999 ? ZN ZN A 402 >ILE^A 322 -33.32 101.18 -10.41 -32.07 100.94 -11.08 -32.70 101.06 -10.74 3 0 16.98 -999 ? ZN ZN A 402 >ASP^A 323 -34.81 103.62 -5.28 -35.25 105.45 -4.26 -35.03 104.53 -4.77 2 0 12.30 -999 ? ZN ZN A 402 >ILE.A 324 -31.70 106.81 -9.53 -32.11 106.87 -10.94 -31.91 106.84 -10.24 3 0 12.32 -999 ? ZN ZN A 402 >ASN~A 325 -31.91 109.24 -4.57 -30.97 107.55 -3.66 -31.44 108.40 -4.12 2 0 12.89 -999 ? ZN ZN A 402 >HIS~A 326 -37.32 113.39 -5.27 -38.85 114.75 -5.76 -38.08 114.07 -5.52 3 0 -3.60 -999 ? ZN ZN A 402s >TYR~A 327 -30.20 115.07 -4.84 -28.36 117.13 -5.30 -29.28 116.10 -5.07 3 0 10.33 -999 ? ZN ZN A 402 >SER~A 328 -31.13 112.55 -9.15 -30.14 110.33 -8.98 -30.64 111.44 -9.06 2 0 11.01 -999 ? ZN ZN A 402 >GLU~A 329 -35.80 114.72 -10.28 -37.63 115.69 -10.11 -36.72 115.21 -10.20 2 0 2.55 -999 ? ZN ZN A 401s >TYR~A 330 -28.08 116.36 -9.49 -26.20 114.52 -10.52 -27.14 115.44 -10.00 3 0 12.28 -999 ? ZN ZN A 402 >VAL~A 331 -29.21 116.62 -13.66 -29.67 114.51 -14.21 -29.44 115.57 -13.94 3 0 10.48 -999 ? ZN ZN A 401 >MET~A 332 -31.68 119.28 -14.84 -33.03 121.25 -12.37 -32.36 120.27 -13.60 2 0 8.05 -999 ? ZN ZN A 401 >LYS~A 333 -29.32 122.04 -13.64 -26.61 121.37 -8.37 -27.97 121.71 -11.01 2 0 13.50 -999 ? ZN ZN A 402 >GLU~A 334 -24.53 120.44 -15.33 -23.13 122.04 -15.66 -23.83 121.24 -15.49 2 0 17.80 -999 ? ZN ZN A 401 >GLY~A 335 -29.44 120.06 -18.71 -29.40 120.83 -18.33 -29.42 120.45 -18.52 1 0 12.90 -999 ? ZN ZN A 401 >LEU~A 336 -32.30 123.77 -17.18 -33.98 125.23 -17.39 -33.14 124.50 -17.29 3 0 11.70 -999 ? ZN ZN A 401 >LYS~A 337 -28.24 125.46 -18.64 -22.85 126.80 -18.85 -25.54 126.13 -18.75 2 0 20.91 -999 ? ZN ZN A 401 >THR~A 338 -27.48 123.82 -21.98 -26.41 122.05 -22.59 -26.95 122.93 -22.28 2 0 18.04 -999 ? ZN ZN A 401 >LEU~A 339 -32.31 123.70 -22.77 -33.37 121.87 -23.22 -32.84 122.78 -22.99 3 0 14.68 -999 ? ZN ZN A 401 >LEU~A 340 -31.30 128.39 -20.85 -32.41 130.24 -20.35 -31.85 129.32 -20.60 3 0 17.42 -999 ? ZN ZN A 401 >MET~A 341 -27.73 128.73 -23.77 -24.27 127.89 -21.81 -26.00 128.31 -22.79 2 0 21.61 -999 ? ZN ZN A 401 >ASN~A 342 -29.33 125.76 -27.31 -29.81 125.41 -29.36 -29.57 125.59 -28.34 2 0 22.18 -999 ? ZN ZN A 401 >TRP~A 343 -33.98 126.57 -26.65 -35.54 125.95 -23.07 -34.76 126.26 -24.86 3 0 17.17 -999 ? ZN ZN A 401 >PHE~A 344 -30.23 132.91 -23.69 -31.48 133.59 -21.26 -30.85 133.25 -22.48 3 0 21.75 -999 ? ZN ZN A 401 >ASN~A 345 -27.24 130.39 -29.33 -25.68 130.66 -30.80 -26.46 130.52 -30.07 2 0 27.62 -999 ? ZN ZN A 401 >ILE~A 346 -32.20 130.28 -31.42 -32.81 129.17 -31.58 -32.50 129.72 -31.50 3 0 24.94 -999 ? ZN ZN A 401 >GLU~A 347 -34.82 134.94 -29.37 -35.77 133.46 -30.53 -35.29 134.20 -29.95 2 0 25.70 -999 ? ZN ZN A 401 >LYS.A 348 -28.96 136.28 -30.18 -27.29 138.47 -35.81 -28.12 137.38 -33.00 2 0 34.92 -999 ? ZN ZN A 401 >ILE.A 349 -30.46 136.47 -25.54 -31.61 136.40 -24.97 -31.04 136.44 -25.26 3 0 25.59 -999 ? ZN ZN A 401 >ASN.A 350 -24.92 138.63 -25.22 -24.60 138.40 -27.31 -24.76 138.51 -26.26 2 0 30.79 -999 ? ZN ZN A 401 >ILE.A 351 -28.33 136.70 -20.72 -29.43 137.30 -20.11 -28.88 137.00 -20.42 3 0 24.68 -999 ? ZN ZN A 401 >ASP.A 352 -23.78 134.83 -17.90 -22.09 135.98 -18.58 -22.93 135.40 -18.24 2 0 27.02 -999 ? ZN ZN A 401 >VAL^A 353 -26.34 131.02 -17.78 -28.13 130.15 -18.82 -27.23 130.59 -18.30 3 0 19.83 -999 ? ZN ZN A 401 >GLU^A 354 -22.49 130.04 -14.63 -21.36 130.96 -13.14 -21.92 130.50 -13.88 2 0 23.23 -999 ? ZN ZN A 401 >ALA^A 355 -25.75 125.60 -13.37 -25.45 124.21 -13.86 -25.60 124.90 -13.62 2 0 16.20 -999 ? ZN ZN A 401 >SER.A 356 -25.62 125.96 -9.58 -26.36 125.95 -7.28 -25.99 125.96 -8.43 2 0 15.95 -999 ? ZN ZN A 402 >THR.A 357 -22.69 123.90 -8.22 -21.02 125.26 -8.45 -21.86 124.58 -8.33 2 0 20.18 -999 ? ZN ZN A 402 >ILE.A 358 -25.01 124.56 -4.02 -24.99 125.48 -2.89 -25.00 125.02 -3.46 3 0 17.15 -999 ? ZN ZN A 402 >ASN.A 359 -24.17 118.80 -3.45 -25.14 116.90 -3.22 -24.65 117.85 -3.33 2 0 14.84 -999 ? ZN ZN A 402 >THR.A 360 -28.53 120.60 -2.22 -29.42 121.92 -3.70 -28.98 121.26 -2.96 2 0 11.95 -999 ? ZN ZN A 402 >ASP.A 361 -28.63 115.74 -1.62 -29.77 113.98 -1.34 -29.20 114.86 -1.48 2 0 11.77 -999 ? ZN ZN A 402 >PRO.A 362 -32.86 116.61 1.46 -30.66 117.14 1.67 -31.76 116.87 1.56 3 0 12.07 -999 ? ZN ZN A 402 >PHE.A 363 -31.41 111.93 2.28 -34.10 111.18 2.79 -32.76 111.56 2.54 3 0 13.25 -999 ? ZN ZN A 402 >GLN^A 364 -23.65 112.84 4.68 -22.28 114.13 5.68 -22.97 113.49 5.18 2 0 21.84 -999 ? ZN ZN A 402 >TYR^A 365 -26.53 108.54 0.92 -29.08 108.89 -0.28 -27.81 108.72 0.32 3 0 16.07 -999 ? ZN ZN A 402 >ILE^A 366 -22.84 106.79 6.58 -23.22 107.47 7.80 -23.03 107.13 7.19 3 0 22.68 -999 ? ZN ZN B 401 >ALA.B -3 -56.75 64.25 28.01 -58.10 64.03 27.32 -57.43 64.14 27.66 2 0 40.24 -999 ? ZN ZN B 402 >MET.B -2 -54.57 67.12 26.98 -51.50 67.83 27.63 -53.03 67.48 27.30 2 0 35.25 -999 ? ZN ZN B 402 >ASP.B -1 -55.89 71.67 27.30 -54.45 72.03 28.78 -55.17 71.85 28.04 2 0 32.96 -999 ? ZN ZN B 402 >PRO.B 0 -53.63 69.06 22.58 -53.53 70.97 23.79 -53.58 70.02 23.19 3 0 32.09 -999 ? ZN ZN B 402 >MET.B 1 -52.87 74.99 22.48 -50.39 78.40 22.42 -51.63 76.69 22.45 2 0 23.52 -999 ? ZN ZN B 402 >LYS~B 2 -55.28 75.86 19.60 -60.60 72.43 20.00 -57.94 74.15 19.80 2 0 31.85 -999 ? ZN ZN B 402 >ILE~B 3 -55.47 79.33 16.06 -54.36 80.21 15.46 -54.91 79.77 15.76 3 0 21.99 -999 ? ZN ZN B 402 >ALA~B 4 -57.84 80.49 19.81 -59.22 79.88 20.04 -58.53 80.19 19.92 2 0 25.19 -999 ? ZN ZN B 402 >ASP~B 5 -55.09 78.54 23.42 -56.64 77.16 23.83 -55.87 77.85 23.63 2 0 27.35 -999 ? ZN ZN B 402 >LEU~B 6 -52.02 81.15 19.87 -49.95 81.91 19.32 -50.99 81.53 19.60 3 0 19.84 -999 ? ZN ZN B 402 >MET~B 7 -54.85 84.53 20.24 -54.80 85.64 17.15 -54.83 85.08 18.70 2 0 17.41 -999 ? ZN ZN B 402 >THR~B 8 -55.91 85.05 23.85 -57.36 84.03 25.10 -56.63 84.54 24.48 2 0 23.37 -999 ? ZN ZN B 402 >LEU~B 9 -51.40 83.69 24.93 -49.59 83.32 26.10 -50.49 83.50 25.51 3 0 21.05 -999 ? ZN ZN B 402 >LEU~B 10 -51.26 87.15 20.79 -49.79 85.90 19.71 -50.53 86.53 20.25 3 0 15.80 -999 ? ZN ZN B 402 >ASP~B 11 -55.43 89.37 22.82 -56.66 91.02 23.20 -56.05 90.20 23.01 2 0 18.05 -999 ? ZN ZN B 402 >HIS~B 12 -52.58 88.71 29.10 -52.20 89.31 31.07 -52.39 89.01 30.09 3 0 21.73 -999 ? ZN ZN B 402 >HIS~B 13 -48.35 88.91 27.28 -48.07 87.61 28.91 -48.21 88.26 28.10 3 0 19.30 -999 ? ZN ZN B 402 >VAL~B 14 -50.03 93.03 23.11 -48.21 92.90 21.76 -49.12 92.97 22.43 3 0 12.52 -999 ? ZN ZN B 402 >PRO~B 15 -53.25 95.07 25.10 -53.02 93.89 23.18 -53.13 94.48 24.14 3 0 15.22 -999 ? ZN ZN B 402 >PHE~B 16 -55.07 91.67 18.58 -53.33 89.51 18.07 -54.20 90.59 18.32 3 0 14.05 -999 ? ZN ZN B 402 >SER~B 17 -57.40 96.88 20.57 -57.44 97.10 23.00 -57.42 96.99 21.78 2 0 16.82 -999 ? ZN ZN B 402 >THR~B 18 -54.27 99.11 20.76 -52.97 98.30 22.29 -53.62 98.70 21.53 2 0 13.04 -999 ? ZN ZN B 402 >ALA~B 19 -53.87 98.79 16.99 -54.12 97.55 16.16 -53.99 98.17 16.58 2 0 10.41 -999 ? ZN ZN B 402 >GLU.B 20 -52.94 103.12 14.27 -53.36 104.69 15.60 -53.15 103.91 14.93 2 0 11.09 -999 ? ZN ZN B 402 >SER.B 21 -58.60 101.69 13.65 -59.34 103.93 13.19 -58.97 102.81 13.42 2 0 15.71 -999 ? ZN ZN B 402 >TRP.B 22 -55.25 104.25 10.67 -52.18 101.86 10.02 -53.72 103.05 10.34 3 0 10.34 -999 ? ZN ZN B 402 >ASP.B 23 -54.33 98.57 11.88 -52.50 97.53 11.52 -53.41 98.05 11.70 2 0 8.15 -999 ? ZN ZN B 402 >ASN.B 24 -56.06 94.54 8.52 -57.34 92.84 8.20 -56.70 93.69 8.36 2 0 14.57 -999 ? ZN ZN B 401 >VAL.B 25 -54.76 92.82 12.94 -54.20 94.54 14.27 -54.48 93.68 13.61 3 0 11.30 -999 ? ZN ZN B 402 >GLY^B 26 -55.22 89.41 14.53 -54.89 89.43 13.78 -55.06 89.42 14.16 1 0 14.44 -999 ? ZN ZN B 402 >LEU^B 27 -56.88 84.93 13.43 -56.76 82.82 12.78 -56.82 83.88 13.10 3 0 19.39 -999 ? ZN ZN B 402 >LEU^B 28 -54.90 87.83 8.45 -54.67 90.00 8.97 -54.79 88.91 8.71 3 0 14.59 -999 ? ZN ZN B 401 >ILE^B 29 -54.94 83.46 6.43 -54.51 83.51 5.11 -54.72 83.48 5.77 3 0 18.92 -999 ? ZN ZN B 401 >GLY.B 30 -56.71 80.35 9.42 -57.43 80.74 9.40 -57.07 80.55 9.41 1 0 22.35 -999 ? ZN ZN B 402 >ASP.B 31 -58.98 76.97 11.28 -60.60 75.86 12.07 -59.79 76.42 11.67 2 0 28.05 -999 ? ZN ZN B 402 >GLU.B 32 -60.68 81.34 15.57 -59.87 82.93 16.69 -60.27 82.13 16.13 2 0 22.53 -999 ? ZN ZN B 402 >ASP.B 33 -61.26 74.82 15.61 -62.97 76.13 15.50 -62.12 75.48 15.56 2 0 29.43 -999 ? ZN ZN B 402 >VAL.B 34 -56.68 74.21 14.85 -55.84 74.06 12.78 -56.26 74.14 13.82 3 0 27.39 -999 ? ZN ZN B 402 >GLU.B 35 -52.36 70.88 17.88 -52.36 69.23 19.26 -52.36 70.06 18.57 2 0 31.39 -999 ? ZN ZN B 402 >VAL.B 36 -50.65 74.95 16.87 -50.18 77.02 17.54 -50.41 75.99 17.20 3 0 24.09 -999 ? ZN ZN B 402 >THR.B 37 -47.65 72.83 15.84 -48.15 72.05 13.90 -47.90 72.44 14.87 2 0 27.08 -999 ? ZN ZN B 402 >GLY.B 38 -45.02 75.58 15.94 -45.75 75.90 15.58 -45.39 75.74 15.76 1 0 23.53 -999 ? ZN ZN B 402 >VAL^B 39 -44.67 79.35 15.49 -45.87 80.72 16.85 -45.27 80.03 16.17 3 0 19.19 -999 ? ZN ZN B 402 >LEU^B 40 -42.47 80.64 11.47 -40.75 80.68 10.12 -41.61 80.66 10.79 3 0 18.40 -999 ? ZN ZN B 401 >THR^B 41 -42.12 84.98 13.35 -41.18 85.38 15.28 -41.65 85.18 14.32 2 0 14.16 -999 ? ZN ZN B 402 >ALA^B 42 -41.84 87.26 10.29 -42.65 86.57 9.20 -42.25 86.91 9.74 2 0 12.31 -999 ? ZN ZN B 401 >LEU.B 43 -40.65 91.81 8.75 -40.59 94.01 8.67 -40.62 92.91 8.71 3 0 6.82 -999 ? ZN ZN B 401 >ASP.B 44 -43.07 90.95 4.66 -43.22 93.08 4.74 -43.15 92.01 4.70 2 0 7.11 -999 ? ZN ZN B 401 >CYH.B 45 -45.21 86.91 5.22 -46.81 84.67 5.41 -46.01 85.79 5.32 2 0 14.80 -999 ? ZN ZN B 401 >THR~B 46 -43.66 86.34 1.76 -41.66 87.08 1.85 -42.66 86.71 1.80 2 0 13.88 -999 ? ZN ZN B 401 >LEU~B 47 -43.82 82.94 -1.80 -44.69 81.41 -3.00 -44.26 82.17 -2.40 3 0 20.09 -999 ? ZN ZN B 401 >GLU~B 48 -38.69 82.94 -0.70 -36.82 83.91 -1.11 -37.75 83.43 -0.90 2 0 19.33 -999 ? ZN ZN B 401 >VAL~B 49 -41.62 82.52 4.60 -41.85 84.21 6.04 -41.74 83.36 5.32 3 0 16.01 -999 ? ZN ZN B 401 >VAL~B 50 -44.61 80.22 3.98 -46.57 80.59 3.08 -45.59 80.40 3.53 3 0 19.22 -999 ? ZN ZN B 401 >ASN~B 51 -41.35 77.93 1.13 -42.45 77.97 -0.69 -41.90 77.95 0.22 2 0 22.98 -999 ? ZN ZN B 401 >GLU~B 52 -38.47 79.19 7.21 -37.79 81.13 7.79 -38.13 80.16 7.50 2 0 18.78 -999 ? ZN ZN B 401 >ALA~B 53 -42.94 77.21 7.81 -44.21 78.04 8.00 -43.57 77.63 7.91 2 0 20.77 -999 ? ZN ZN B 401 >ILE~B 54 -44.34 74.21 4.22 -45.14 74.09 3.08 -44.74 74.15 3.65 3 0 25.20 -999 ? ZN ZN B 401 >GLU~B 55 -39.07 73.47 3.56 -37.44 74.53 2.68 -38.26 74.00 3.12 2 0 25.91 -999 ? ZN ZN B 401 >LYS~B 56 -40.15 73.23 9.47 -36.32 78.07 10.66 -38.24 75.65 10.06 2 0 22.19 -999 ? ZN ZN B 401 >GLY~B 57 -43.51 71.61 10.24 -43.32 72.40 10.37 -43.42 72.01 10.31 1 0 27.22 -999 ? ZN ZN B 401 >TYR.B 58 -42.81 75.85 12.88 -40.52 75.44 14.46 -41.66 75.65 13.67 3 0 23.40 -999 ? ZN ZN B 402 >ASN.B 59 -49.65 74.63 11.24 -50.47 74.68 13.21 -50.06 74.65 12.23 2 0 24.90 -999 ? ZN ZN B 402 >THR^B 60 -48.67 79.24 12.49 -49.70 79.48 14.38 -49.18 79.36 13.43 2 0 20.14 -999 ? ZN ZN B 402 >ILE^B 61 -46.72 82.59 9.68 -45.96 82.58 8.47 -46.34 82.58 9.07 3 0 16.37 -999 ? ZN ZN B 401 >ILE^B 62 -46.87 85.79 14.69 -47.39 85.98 16.05 -47.13 85.89 15.37 3 0 13.54 -999 ? ZN ZN B 402 >SER^B 63 -46.04 88.60 10.98 -47.67 89.08 9.23 -46.86 88.84 10.10 2 0 10.37 -999 ? ZN ZN B 401 >HIS.B 64 -44.69 94.49 12.33 -45.14 96.36 13.15 -44.91 95.42 12.74 3 0 -3.45 -999 ? ZN ZN B 402s >HIS.B 65 -45.27 94.95 7.47 -43.74 96.36 7.67 -44.50 95.66 7.57 3 0 -3.43 -999 ? ZN ZN B 401s >PRO.B 66 -51.36 94.61 7.82 -50.07 92.74 7.73 -50.72 93.67 7.78 3 0 8.47 -999 ? ZN ZN B 401 >LEU.B 67 -50.48 88.67 4.38 -49.74 87.49 2.65 -50.11 88.08 3.51 3 0 13.42 -999 ? ZN ZN B 401 >ILE.B 68 -55.40 90.35 4.02 -56.50 89.51 3.63 -55.95 89.93 3.82 3 0 15.67 -999 ? ZN ZN B 401 >PHE.B 69 -53.31 97.22 4.88 -53.54 99.70 6.20 -53.42 98.46 5.54 3 0 9.95 -999 ? ZN ZN B 401 >LYS.B 70 -57.09 96.40 2.21 -54.35 101.68 2.27 -55.72 99.04 2.24 2 0 12.56 -999 ? ZN ZN B 401 >GLY.B 71 -59.65 93.73 1.35 -59.07 94.10 0.89 -59.36 93.91 1.12 1 0 18.04 -999 ? ZN ZN B 401 >VAL.B 72 -58.46 91.38 -1.39 -57.44 89.63 -0.54 -57.95 90.51 -0.96 3 0 18.94 -999 ? ZN ZN B 401 >THR.B 73 -60.84 91.31 -4.36 -60.71 93.25 -5.26 -60.77 92.28 -4.81 2 0 22.53 -999 ? ZN ZN B 401 >SER.B 74 -59.44 88.05 -5.77 -57.80 88.58 -7.41 -58.62 88.31 -6.59 2 0 23.63 -999 ? ZN ZN B 401 >LEU.B 75 -58.01 84.23 -3.63 -58.11 85.07 -1.60 -58.06 84.65 -2.61 3 0 22.98 -999 ? ZN ZN B 401 >LYS.B 76 -55.68 83.88 -8.02 -56.83 88.29 -11.63 -56.26 86.09 -9.83 2 0 26.34 -999 ? ZN ZN B 401 >ALA.B 77 -52.41 81.95 -8.48 -52.31 80.63 -9.24 -52.36 81.29 -8.86 2 0 26.95 -999 ? ZN ZN B 401 >ASN~B 78 -51.19 85.79 -10.02 -50.50 87.71 -10.52 -50.85 86.75 -10.27 2 0 23.25 -999 ? ZN ZN B 401 >GLY~B 79 -48.98 87.93 -6.69 -49.20 87.16 -6.43 -49.09 87.55 -6.56 1 0 19.61 -999 ? ZN ZN B 401 >TYR~B 80 -49.82 90.33 -2.11 -47.80 92.21 -1.52 -48.81 91.27 -1.82 3 0 13.91 -999 ? ZN ZN B 401 >GLY~B 81 -53.02 85.53 -4.18 -52.23 85.45 -4.06 -52.62 85.49 -4.12 1 0 20.66 -999 ? ZN ZN B 401 >LEU~B 82 -49.17 82.96 -5.51 -48.10 81.43 -6.62 -48.63 82.19 -6.06 3 0 22.80 -999 ? ZN ZN B 401 >ILE~B 83 -48.53 84.68 -0.37 -47.40 85.47 0.16 -47.97 85.07 -0.10 3 0 16.86 -999 ? ZN ZN B 401 >ILE~B 84 -53.77 84.46 0.19 -54.63 85.53 0.45 -54.20 84.99 0.32 3 0 19.15 -999 ? ZN ZN B 401 >ARG~B 85 -54.73 81.18 -5.11 -56.41 78.78 -6.16 -55.57 79.98 -5.64 2 0 27.92 -999 ? ZN ZN B 401 >LYS~B 86 -50.53 78.48 -0.34 -44.96 76.41 -1.96 -47.75 77.44 -1.15 2 0 24.89 -999 ? ZN ZN B 401 >LEU~B 87 -51.58 80.63 3.97 -50.07 82.06 4.78 -50.82 81.34 4.37 3 0 19.25 -999 ? ZN ZN B 401 >ILE~B 88 -55.93 78.57 2.22 -57.18 79.30 2.20 -56.56 78.93 2.21 3 0 24.40 -999 ? ZN ZN B 401 >GLN~B 89 -54.34 75.28 -1.41 -53.88 75.35 -3.47 -54.11 75.32 -2.44 2 0 28.26 -999 ? ZN ZN B 401 >HIS~B 90 -49.12 73.85 2.19 -48.21 73.06 0.48 -48.67 73.46 1.33 3 0 26.84 -999 ? ZN ZN B 401 >ASP.B 91 -53.83 73.30 7.14 -55.54 72.50 6.14 -54.69 72.90 6.64 2 0 28.82 -999 ? ZN ZN B 401 >ILE.B 92 -49.79 77.93 6.97 -48.64 77.24 7.58 -49.22 77.59 7.28 3 0 21.89 -999 ? ZN ZN B 401 >ASN^B 93 -52.93 79.71 11.45 -53.96 77.86 11.50 -53.45 78.78 11.48 2 0 23.03 -999 ? ZN ZN B 402 >LEU^B 94 -51.18 84.22 8.32 -49.73 85.86 7.76 -50.45 85.04 8.04 3 0 15.19 -999 ? ZN ZN B 401 >ILE^B 95 -51.52 85.72 14.03 -51.78 85.27 15.30 -51.65 85.50 14.67 3 0 15.31 -999 ? ZN ZN B 402 >ALA^B 96 -50.76 89.87 12.12 -51.42 90.77 11.02 -51.09 90.32 11.57 2 0 10.72 -999 ? ZN ZN B 402 >MET.B 97 -49.47 91.80 15.13 -48.31 89.05 18.03 -48.89 90.43 16.58 2 0 11.92 -999 ? ZN ZN B 402 >HIS~B 98 -49.25 96.40 11.26 -48.45 97.80 9.92 -48.85 97.10 10.59 3 0 5.02 -999 ? ZN ZN B 402 >THR~B 99 -49.64 98.60 14.96 -50.95 99.87 13.75 -50.29 99.23 14.36 2 0 6.68 -999 ? ZN ZN B 402 >ASN~B 100 -51.48 95.86 18.73 -51.39 94.02 17.58 -51.43 94.94 18.15 2 0 9.88 -999 ? ZN ZN B 402 >LEU~B 101 -46.25 94.65 17.46 -44.77 93.22 18.04 -45.51 93.93 17.75 3 0 7.34 -999 ? ZN ZN B 402 >ASP~B 102 -46.20 100.05 15.92 -45.42 99.37 14.07 -45.81 99.71 15.00 2 0 -1.99 -999 ? ZN ZN B 402s >VAL~B 103 -47.19 100.88 20.23 -49.27 101.27 19.60 -48.23 101.08 19.91 3 0 8.70 -999 ? ZN ZN B 402 >ASN.B 104 -46.36 96.74 22.46 -46.71 95.57 24.21 -46.54 96.15 23.33 2 0 12.46 -999 ? ZN ZN B 402 >PRO.B 105 -45.95 99.11 27.10 -44.58 98.82 25.31 -45.26 98.97 26.21 3 0 13.84 -999 ? ZN ZN B 402 >TYR.B 106 -42.51 94.75 26.81 -43.21 95.38 29.42 -42.86 95.07 28.11 3 0 16.25 -999 ? ZN ZN B 402 >GLY~B 107 -42.81 96.22 20.86 -42.14 96.60 21.16 -42.47 96.41 21.01 1 0 9.03 -999 ? ZN ZN B 402 >VAL~B 108 -40.96 97.36 17.68 -41.61 97.38 15.53 -41.29 97.37 16.60 3 0 5.50 -999 ? ZN ZN B 402 >ASN~B 109 -40.37 101.87 19.09 -41.17 102.25 17.16 -40.77 102.06 18.13 2 0 6.75 -999 ? ZN ZN B 402 >MET~B 110 -38.37 99.21 22.44 -37.41 98.89 25.50 -37.89 99.05 23.97 2 0 14.90 -999 ? ZN ZN B 402 >MET~B 111 -36.71 96.50 20.31 -39.36 93.71 18.94 -38.04 95.11 19.63 2 0 9.78 -999 ? ZN ZN B 402 >LEU~B 112 -35.81 100.08 17.08 -36.25 99.68 14.97 -36.03 99.88 16.02 3 0 9.28 -999 ? ZN ZN B 402 >ALA~B 113 -33.76 101.16 20.95 -34.69 101.89 21.96 -34.22 101.53 21.45 2 0 14.04 -999 ? ZN ZN B 402 >LYS~B 114 -32.38 97.99 22.64 -33.06 97.84 28.07 -32.72 97.92 25.35 2 0 19.44 -999 ? ZN ZN B 402 >VAL~B 115 -30.58 96.84 19.47 -31.11 95.55 17.76 -30.84 96.20 18.62 3 0 15.24 -999 ? ZN ZN B 402 >MET~B 116 -29.07 100.36 19.21 -31.52 102.97 17.24 -30.30 101.67 18.23 2 0 14.46 -999 ? ZN ZN B 402 >GLY.B 117 -27.68 99.96 22.74 -28.26 100.51 22.53 -27.97 100.24 22.64 1 0 19.78 -999 ? ZN ZN B 402 >LEU.B 118 -30.73 103.70 23.32 -30.35 104.63 21.37 -30.54 104.17 22.35 3 0 17.96 -999 ? ZN ZN B 402 >LYS^B 119 -30.71 103.60 27.70 -26.87 107.57 30.82 -28.79 105.58 29.26 2 0 26.96 -999 ? ZN ZN B 402 >ASN^B 120 -33.10 106.72 29.88 -31.69 106.80 31.50 -32.39 106.76 30.69 2 0 24.35 -999 ? ZN ZN B 402 >ILE^B 121 -35.94 102.67 26.20 -35.51 101.85 25.12 -35.72 102.26 25.66 3 0 16.28 -999 ? ZN ZN B 402 >SER^B 122 -39.61 105.40 27.34 -40.83 107.01 28.62 -40.22 106.20 27.98 2 0 18.54 -999 ? ZN ZN B 402 >ILE^B 123 -44.12 104.39 25.62 -44.56 103.69 24.38 -44.34 104.04 25.00 3 0 13.64 -999 ? ZN ZN B 402 >ILE.B 124 -42.82 109.38 22.97 -41.58 109.66 22.37 -42.20 109.52 22.67 3 0 15.01 -999 ? ZN ZN B 402 >ASN.B 125 -46.89 109.38 20.39 -45.54 110.71 19.40 -46.22 110.05 19.90 2 0 13.83 -999 ? ZN ZN B 402 >ASN^B 126 -49.00 108.11 26.08 -47.01 107.77 26.68 -48.01 107.94 26.38 2 0 17.05 -999 ? ZN ZN B 402 >GLN^B 127 -52.38 104.73 22.37 -53.11 102.85 21.61 -52.74 103.79 21.99 2 0 13.24 -999 ? ZN ZN B 402 >GLN^B 128 -55.05 110.51 26.15 -55.01 111.46 28.06 -55.03 110.99 27.10 2 0 22.71 -999 ? ZN ZN B 402 >ASP^B 129 -57.17 104.15 28.46 -55.58 103.29 27.35 -56.37 103.72 27.90 2 0 19.14 -999 ? ZN ZN B 402 >VAL^B 130 -61.25 106.24 28.92 -62.82 107.20 27.70 -62.04 106.72 28.31 3 0 24.97 -999 ? ZN ZN B 402 >TYR^B 131 -60.00 104.47 33.20 -57.62 103.10 32.62 -58.81 103.79 32.91 3 0 25.51 -999 ? ZN ZN B 402 >TYR^B 132 -67.13 105.92 32.85 -67.85 106.57 30.23 -67.49 106.24 31.54 3 0 30.83 -999 ? ZN ZN B 402 >LYS^B 133 -65.38 107.19 38.20 -61.64 109.75 42.23 -63.51 108.47 40.22 2 0 36.11 -999 ? ZN ZN B 402 >VAL^B 134 -68.64 105.72 39.41 -69.13 103.52 39.36 -68.88 104.62 39.38 3 0 36.83 -999 ? ZN ZN B 402 >GLN^B 135 -68.72 109.57 41.86 -68.54 111.71 42.02 -68.63 110.64 41.94 2 0 40.27 -999 ? ZN ZN B 402 >THR^B 136 -73.17 106.15 44.31 -73.94 104.19 43.69 -73.55 105.17 44.00 2 0 43.30 -999 ? ZN ZN B 402 >TYR^B 137 -74.76 109.88 46.51 -73.14 111.68 45.12 -73.95 110.78 45.82 3 0 46.12 -999 ? ZN ZN B 402 >ILE^B 138 -75.24 103.71 49.92 -74.92 102.42 50.08 -75.08 103.07 50.00 3 0 48.66 -999 ? ZN ZN B 402 >PRO.B 139 -79.14 104.95 53.16 -76.93 105.28 53.19 -78.04 105.12 53.18 3 0 53.18 -999 ? ZN ZN B 402 >LYS.B 140 -74.22 104.46 56.49 -70.63 102.62 58.58 -72.42 103.54 57.53 2 0 53.20 -999 ? ZN ZN B 402 >ASP.B 141 -75.94 101.33 59.57 -77.56 101.84 58.29 -76.75 101.58 58.93 2 0 56.65 -999 ? ZN ZN B 402 >VAL~B 143 -76.10 98.95 53.86 -77.96 100.15 54.00 -77.03 99.55 53.93 3 0 52.77 -999 ? ZN ZN B 402 >GLY~B 144 -72.50 100.08 53.09 -72.76 99.31 53.20 -72.63 99.70 53.15 1 0 49.42 -999 ? ZN ZN B 402 >PRO~B 145 -70.58 97.13 55.71 -71.08 97.31 53.52 -70.83 97.22 54.61 3 0 49.79 -999 ? ZN ZN B 402 >PHE~B 146 -76.50 95.56 51.39 -78.55 95.73 49.49 -77.53 95.64 50.44 3 0 50.49 -999 ? ZN ZN B 402 >LYS~B 147 -73.22 97.33 48.85 -74.87 100.01 44.50 -74.05 98.67 46.67 2 0 44.21 -999 ? ZN ZN B 402 >ASP~B 148 -68.50 97.10 50.23 -68.22 99.17 50.65 -68.36 98.13 50.44 2 0 45.03 -999 ? ZN ZN B 402 >LYS~B 149 -69.50 93.01 49.28 -67.77 93.79 54.77 -68.64 93.40 52.02 2 0 48.62 -999 ? ZN ZN B 402 >LEU~B 150 -73.59 92.72 46.65 -75.19 91.46 47.43 -74.39 92.09 47.04 3 0 46.25 -999 ? ZN ZN B 402 >SER~B 151 -70.52 94.90 44.12 -71.51 97.15 44.18 -71.01 96.03 44.15 2 0 41.75 -999 ? ZN ZN B 402 >GLY~B 154 -69.92 90.56 40.93 -69.24 90.91 41.18 -69.58 90.73 41.05 1 0 39.11 -999 ? ZN ZN B 402 >ALA.B 156 -65.63 95.66 39.80 -66.97 96.37 40.09 -66.30 96.01 39.94 2 0 35.75 -999 ? ZN ZN B 402 >GLN.B 157 -60.64 95.29 39.72 -58.86 95.89 38.72 -59.75 95.59 39.22 2 0 30.14 -999 ? ZN ZN B 402 >GLU.B 158 -60.87 94.33 46.47 -60.36 92.90 44.98 -60.62 93.62 45.72 2 0 36.73 -999 ? ZN ZN B 402 >GLY.B 159 -60.88 99.41 45.73 -61.71 99.23 45.50 -61.29 99.32 45.62 1 0 37.15 -999 ? ZN ZN B 402 >ASN.B 160 -64.74 101.16 47.93 -66.09 99.91 46.81 -65.41 100.54 47.37 2 0 40.65 -999 ? ZN ZN B 402 >TYR^B 161 -62.32 107.54 48.40 -61.64 109.88 49.75 -61.98 108.71 49.07 3 0 41.82 -999 ? ZN ZN B 402 >GLU^B 162 -66.72 104.17 51.47 -67.64 102.80 52.82 -67.18 103.49 52.15 2 0 46.76 -999 ? ZN ZN B 402 >CYH^B 164 -69.72 111.23 54.77 -68.94 110.31 57.38 -69.33 110.77 56.07 2 0 52.47 -999 ? ZN ZN B 402 >PHE^B 166 -75.50 116.29 56.11 -73.90 116.62 58.41 -74.70 116.45 57.26 3 0 56.89 -999 ? ZN ZN B 402 >GLU^B 167 -79.62 113.37 49.20 -81.22 112.07 48.69 -80.42 112.72 48.95 2 0 53.31 -999 ? ZN ZN B 402 >SER.B 168 -81.81 116.65 51.11 -80.69 118.86 50.94 -81.25 117.76 51.03 2 0 56.54 -999 ? ZN ZN B 402 >GLU^B 195 -77.28 109.06 51.77 -78.42 110.03 50.31 -77.85 109.55 51.04 2 0 52.10 -999 ? ZN ZN B 402 >VAL^B 196 -72.14 107.90 52.39 -70.88 106.47 53.54 -71.51 107.18 52.96 3 0 49.46 -999 ? ZN ZN B 402 >LYS^B 197 -70.80 108.71 48.92 -67.91 112.78 45.19 -69.35 110.75 47.05 2 0 42.64 -999 ? ZN ZN B 402 >ILE^B 198 -69.46 104.25 47.75 -69.65 102.99 48.43 -69.55 103.62 48.09 3 0 43.88 -999 ? ZN ZN B 402 >GLU^B 199 -65.13 107.83 45.37 -64.79 109.92 45.13 -64.96 108.88 45.25 2 0 40.09 -999 ? ZN ZN B 402 >PHE^B 200 -66.40 101.63 42.29 -68.97 100.93 41.41 -67.68 101.28 41.85 3 0 37.57 -999 ? ZN ZN B 402 >MET^B 201 -63.06 103.01 38.96 -61.35 105.81 39.05 -62.20 104.41 39.01 2 0 32.30 -999 ? ZN ZN B 402 >ILE^B 202 -65.91 100.86 35.75 -67.21 101.12 35.73 -66.56 100.99 35.74 3 0 32.20 -999 ? ZN ZN B 402 >ASP^B 203 -62.37 99.36 31.88 -60.64 98.73 32.96 -61.50 99.05 32.42 2 0 26.15 -999 ? ZN ZN B 402 >ALA.B 204 -65.16 102.10 29.66 -64.63 102.86 28.43 -64.90 102.48 29.04 2 0 26.06 -999 ? ZN ZN B 402 >TYR.B 205 -65.21 96.58 29.25 -63.97 94.97 31.18 -64.59 95.78 30.21 3 0 27.03 -999 ? ZN ZN B 402 >GLN~B 206 -65.91 97.12 33.41 -64.72 97.11 35.18 -65.32 97.11 34.30 2 0 30.52 -999 ? ZN ZN B 402 >LYS~B 207 -70.47 101.07 32.25 -71.74 107.13 30.32 -71.11 104.10 31.29 2 0 33.65 -999 ? ZN ZN B 402 >SER~B 208 -73.42 98.79 31.27 -72.28 96.96 30.17 -72.85 97.88 30.72 2 0 33.04 -999 ? ZN ZN B 402 >ALA~B 210 -72.12 98.80 36.60 -71.08 99.90 36.52 -71.60 99.35 36.56 2 0 35.92 -999 ? ZN ZN B 402 >GLU~B 211 -75.90 102.21 34.20 -77.49 103.04 33.09 -76.70 102.62 33.64 2 0 39.18 -999 ? ZN ZN B 402 >GLN~B 212 -77.18 95.70 33.92 -76.97 93.83 32.91 -77.08 94.77 33.42 2 0 38.73 -999 ? ZN ZN B 402 >LEU~B 213 -73.88 95.43 39.49 -72.94 93.55 38.86 -73.41 94.49 39.18 3 0 39.65 -999 ? ZN ZN B 402 >ILE~B 214 -75.46 100.59 40.76 -74.65 101.72 40.90 -75.05 101.15 40.83 3 0 41.81 -999 ? ZN ZN B 402 >LYS~B 215 -79.75 99.05 40.27 -81.86 101.81 35.01 -80.80 100.43 37.64 2 0 43.78 -999 ? ZN ZN B 402 >GLN~B 216 -79.83 92.90 41.31 -78.63 91.23 40.74 -79.23 92.07 41.03 2 0 45.02 -999 ? ZN ZN B 402 >TYR~B 217 -76.80 93.86 44.47 -76.40 91.42 43.11 -76.60 92.64 43.79 3 0 45.33 -999 ? ZN ZN B 402 >HIS~B 218 -78.43 101.94 45.47 -77.59 103.59 46.47 -78.01 102.77 45.97 3 0 47.61 -999 ? ZN ZN B 402 >PRO.B 219 -81.28 102.20 48.75 -81.94 100.79 47.06 -81.61 101.50 47.91 3 0 51.44 -999 ? ZN ZN B 402 >TYR.B 220 -84.07 105.41 48.45 -83.30 105.50 51.17 -83.68 105.45 49.81 3 0 54.58 -999 ? ZN ZN B 402 >GLU.B 221 -89.64 105.62 45.28 -91.08 107.11 45.80 -90.36 106.37 45.54 2 0 57.93 -999 ? ZN ZN B 402 >THR.B 222 -84.59 107.06 42.43 -84.44 109.26 42.16 -84.52 108.16 42.30 2 0 50.90 -999 ? ZN ZN B 402 >PRO.B 223 -82.01 103.60 41.98 -81.90 105.53 43.14 -81.95 104.56 42.56 3 0 48.44 -999 ? ZN ZN B 402 >VAL.B 224 -78.61 108.15 42.68 -78.87 110.27 43.29 -78.74 109.21 42.99 3 0 47.08 -999 ? ZN ZN B 402 >PHE^B 225 -76.20 105.02 39.40 -77.72 103.97 37.26 -76.96 104.50 38.33 3 0 41.94 -999 ? ZN ZN B 402 >ASP^B 226 -72.70 110.32 38.88 -74.33 111.41 39.69 -73.52 110.86 39.28 2 0 42.35 -999 ? ZN ZN B 402 >PHE^B 227 -71.43 105.73 35.02 -72.67 103.28 35.62 -72.05 104.50 35.32 3 0 36.29 -999 ? ZN ZN B 402 >ILE^B 228 -67.20 111.25 36.75 -67.09 112.41 37.59 -67.14 111.83 37.17 3 0 36.00 -999 ? ZN ZN B 402 >GLU^B 229 -65.20 109.92 29.95 -64.70 111.14 28.31 -64.95 110.53 29.13 2 0 28.52 -999 ? ZN ZN B 402 >ILE^B 230 -61.42 109.27 34.74 -60.97 110.26 35.79 -61.20 109.77 35.26 3 0 30.36 -999 ? ZN ZN B 402 >LYS^B 231 -59.06 109.88 30.77 -61.50 111.95 25.23 -60.28 110.92 28.00 2 0 25.02 -999 ? ZN ZN B 402 >GLN^B 232 -56.64 107.15 33.75 -56.17 105.59 35.12 -56.40 106.37 34.44 2 0 26.43 -999 ? ZN ZN B 402 >THR^B 233 -52.42 108.39 29.83 -50.75 109.78 29.75 -51.58 109.08 29.79 2 0 21.46 -999 ? ZN ZN B 402 >SER^B 234 -51.96 104.93 28.41 -52.09 103.33 26.64 -52.03 104.13 27.52 2 0 16.76 -999 ? ZN ZN B 402 >LEU^B 235 -48.70 101.44 29.47 -48.37 101.46 31.64 -48.53 101.45 30.55 3 0 18.79 -999 ? ZN ZN B 402 >TYR^B 236 -50.67 100.24 25.02 -50.96 97.90 26.55 -50.81 99.07 25.78 3 0 14.81 -999 ? ZN ZN B 402 >GLY^B 237 -47.85 104.85 22.36 -47.42 104.12 22.23 -47.63 104.48 22.30 1 0 12.12 -999 ? ZN ZN B 402 >LEU.B 238 -46.93 105.67 17.68 -46.46 104.96 15.66 -46.70 105.32 16.67 3 0 8.07 -999 ? ZN ZN B 402 >GLY.B 239 -42.47 105.54 19.38 -42.87 105.20 20.03 -42.67 105.37 19.71 1 0 9.90 -999 ? ZN ZN B 402 >VAL^B 240 -39.89 105.67 22.15 -38.95 103.61 22.20 -39.42 104.64 22.17 3 0 12.46 -999 ? ZN ZN B 402 >MET^B 241 -37.55 108.36 23.42 -36.92 111.66 22.54 -37.23 110.01 22.98 2 0 18.03 -999 ? ZN ZN B 402 >ALA^B 242 -34.17 107.07 24.62 -33.83 105.72 24.06 -34.00 106.40 24.34 2 0 17.24 -999 ? ZN ZN B 402 >GLU^B 243 -30.57 108.69 27.52 -30.74 110.20 29.01 -30.66 109.44 28.26 2 0 24.39 -999 ? ZN ZN B 402 >VAL^B 244 -27.13 107.26 23.99 -26.46 108.40 22.25 -26.80 107.83 23.12 3 0 22.57 -999 ? ZN ZN B 402 >ASP^B 245 -23.71 105.07 26.59 -24.46 103.20 27.20 -24.08 104.13 26.90 2 0 25.30 -999 ? ZN ZN B 402 >ASN^B 246 -20.88 108.47 25.55 -20.19 107.11 27.02 -20.54 107.79 26.29 2 0 29.55 -999 ? ZN ZN B 402 >GLN^B 247 -23.26 114.62 23.41 -22.24 116.39 24.06 -22.75 115.51 23.74 2 0 30.66 -999 ? ZN ZN B 402 >MET^B 248 -22.12 111.56 20.12 -23.34 107.77 19.73 -22.73 109.66 19.93 2 0 24.11 -999 ? ZN ZN B 402 >THR^B 249 -22.07 113.36 16.80 -20.03 113.44 15.95 -21.05 113.40 16.38 2 0 28.72 -999 ? ZN ZN B 402 >LEU~B 250 -25.70 113.88 13.60 -27.64 113.69 12.63 -26.67 113.78 13.12 3 0 23.28 -999 ? ZN ZN B 402 >GLU~B 251 -20.38 111.90 11.61 -18.92 112.78 10.34 -19.65 112.34 10.97 2 0 27.55 -999 ? ZN ZN A 402 >ASP~B 252 -20.29 109.25 15.64 -18.38 109.99 15.02 -19.34 109.62 15.33 2 0 28.52 -999 ? ZN ZN B 402 >PHE~B 253 -26.85 108.02 16.99 -29.11 106.57 17.79 -27.98 107.30 17.39 3 0 19.22 -999 ? ZN ZN B 402 >ALA~B 254 -25.75 107.09 12.28 -25.85 108.07 11.12 -25.80 107.58 11.70 2 0 20.56 -999 ? ZN ZN B 401 >ALA~B 255 -22.66 104.85 11.62 -21.20 105.32 11.55 -21.93 105.09 11.59 2 0 23.92 -999 ? ZN ZN B 401 >ASP~B 256 -23.25 103.81 16.30 -22.99 102.51 17.90 -23.12 103.16 17.10 2 0 22.51 -999 ? ZN ZN B 402 >ILE~B 257 -27.97 102.90 14.72 -28.74 104.13 15.12 -28.35 103.51 14.92 3 0 17.00 -999 ? ZN ZN B 402 >LYS~B 258 -25.96 101.08 10.72 -22.73 101.83 5.25 -24.35 101.45 7.99 2 0 21.85 -999 ? ZN ZN B 401 >SER~B 259 -23.46 98.59 12.15 -21.45 97.88 13.30 -22.45 98.23 12.72 2 0 23.06 -999 ? ZN ZN B 401 >LYS~B 260 -25.65 97.38 15.05 -24.29 100.72 20.18 -24.97 99.05 17.62 2 0 21.74 -999 ? ZN ZN B 402 >LEU~B 261 -29.82 97.75 12.63 -31.44 98.34 13.87 -30.63 98.05 13.25 3 0 13.92 -999 ? ZN ZN B 402 >ASN.B 262 -26.72 93.92 9.92 -25.54 92.85 8.50 -26.13 93.38 9.21 2 0 19.45 -999 ? ZN ZN B 401 >ILE.B 263 -28.59 99.36 7.94 -29.70 100.20 8.40 -29.15 99.78 8.17 3 0 14.96 -999 ? ZN ZN B 401 >PRO.B 264 -28.20 96.56 3.34 -26.91 98.06 4.49 -27.56 97.31 3.91 3 0 17.29 -999 ? ZN ZN B 401 >SER.B 265 -26.94 101.98 3.65 -27.40 103.69 1.94 -27.17 102.84 2.79 2 0 18.70 -999 ? ZN ZN B 401 >VAL^B 266 -28.04 104.71 6.09 -28.07 104.46 8.29 -28.05 104.58 7.19 3 0 17.10 -999 ? ZN ZN B 401 >ARG^B 267 -31.38 108.30 2.45 -33.79 107.47 0.72 -32.58 107.89 1.58 2 0 13.63 -999 ? ZN ZN A 402 >PHE^B 268 -26.71 111.70 8.71 -24.07 112.53 8.31 -25.39 112.11 8.51 3 0 21.91 -999 ? ZN ZN A 402 >VAL^B 269 -30.30 114.86 7.63 -32.15 115.47 6.55 -31.23 115.16 7.09 3 0 17.06 -999 ? ZN ZN A 402 >GLY.B 270 -28.43 117.43 9.69 -27.94 117.09 9.08 -28.19 117.26 9.39 1 0 20.67 -999 ? ZN ZN A 402 >GLU.B 271 -25.27 121.46 10.97 -24.72 123.08 12.43 -24.99 122.27 11.70 2 0 25.84 -999 ? ZN ZN A 402 >SER.B 272 -22.66 115.72 10.55 -20.64 116.23 9.28 -21.65 115.97 9.91 2 0 25.31 -999 ? ZN ZN A 402 >ASN.B 273 -19.74 117.99 13.68 -20.11 120.10 13.35 -19.93 119.04 13.51 2 0 28.81 -999 ? ZN ZN A 402 >GLN.B 274 -26.92 118.19 15.60 -27.10 120.29 15.87 -27.01 119.24 15.74 2 0 26.97 -999 ? ZN ZN A 402 >LYS^B 275 -24.21 116.63 19.13 -19.07 117.25 20.30 -21.64 116.94 19.71 2 0 32.38 -999 ? ZN ZN B 402 >ILE^B 276 -26.84 112.79 18.77 -27.86 113.13 18.13 -27.35 112.96 18.45 3 0 23.03 -999 ? ZN ZN B 402 >LYS^B 277 -28.04 112.73 23.24 -26.21 110.17 27.80 -27.12 111.45 25.52 2 0 26.47 -999 ? ZN ZN B 402 >ARG^B 278 -33.11 114.47 25.89 -35.97 114.81 26.88 -34.54 114.64 26.38 2 0 23.19 -999 ? ZN ZN B 402 >ILE^B 279 -32.31 108.73 20.03 -31.33 108.19 19.74 -31.82 108.46 19.88 3 0 17.60 -999 ? ZN ZN B 402 >ALA^B 280 -36.85 109.46 19.16 -37.78 110.59 18.83 -37.31 110.03 18.99 2 0 15.00 -999 ? ZN ZN B 402 >ILE^B 281 -36.74 104.99 17.71 -35.74 104.09 17.87 -36.24 104.54 17.79 3 0 11.40 -999 ? ZN ZN B 402 >ILE.B 282 -41.66 106.21 14.73 -43.02 106.75 14.92 -42.34 106.48 14.83 3 0 8.31 -999 ? ZN ZN B 402 >GLY.B 283 -39.59 102.15 13.09 -40.35 102.56 13.10 -39.97 102.35 13.10 1 0 5.97 -999 ? ZN ZN B 402 >GLY.B 284 -41.31 101.77 9.74 -40.78 102.45 9.84 -41.04 102.11 9.79 1 0 4.14 -999 ? ZN ZN B 401 >SER.B 285 -42.52 104.99 8.17 -43.54 106.03 6.21 -43.03 105.51 7.19 2 0 7.72 -999 ? ZN ZN B 401 >GLY.B 286 -42.82 107.61 10.95 -42.53 107.90 10.27 -42.67 107.76 10.61 1 0 9.05 -999 ? ZN ZN B 402 >ILE.B 287 -41.86 111.09 7.58 -40.83 112.18 7.72 -41.35 111.64 7.65 3 0 13.18 -999 ? ZN ZN B 401 >GLY.B 288 -45.18 113.19 10.25 -44.48 113.02 10.77 -44.83 113.11 10.51 1 0 14.50 -999 ? ZN ZN B 401 >TYR~B 289 -45.28 110.80 14.60 -47.79 109.56 14.66 -46.54 110.18 14.63 3 0 11.74 -999 ? ZN ZN B 402 >GLU~B 290 -39.98 115.46 11.22 -41.44 114.62 9.91 -40.71 115.04 10.56 2 0 16.07 -999 ? ZN ZN B 401 >TYR~B 291 -41.81 119.15 12.42 -40.61 119.58 9.91 -41.21 119.37 11.16 3 0 19.42 -999 ? ZN ZN A 402 >GLN~B 292 -45.46 115.49 18.78 -47.34 114.68 18.22 -46.40 115.08 18.50 2 0 17.13 -999 ? ZN ZN B 402 >ALA~B 293 -40.44 114.49 18.56 -39.75 113.50 17.61 -40.09 114.00 18.08 2 0 16.28 -999 ? ZN ZN B 402 >VAL~B 294 -38.27 117.65 18.59 -37.06 118.77 17.15 -37.67 118.21 17.87 3 0 21.27 -999 ? ZN ZN B 402 >GLN~B 295 -42.88 120.37 19.26 -44.83 119.83 18.31 -43.85 120.10 18.78 2 0 21.82 -999 ? ZN ZN B 402 >GLN~B 296 -42.88 114.74 22.57 -43.68 113.24 21.18 -43.28 113.99 21.87 2 0 16.90 -999 ? ZN ZN B 402 >GLY.B 297 -36.97 116.79 23.45 -37.15 116.39 22.80 -37.06 116.59 23.12 1 0 22.39 -999 ? ZN ZN B 402 >ALA.B 298 -35.36 114.65 20.69 -36.10 113.85 19.62 -35.73 114.25 20.16 2 0 18.66 -999 ? ZN ZN B 402 >ASP.B 299 -30.65 115.42 19.76 -30.54 116.24 21.74 -30.60 115.83 20.75 2 0 24.19 -999 ? ZN ZN B 402 >VAL^B 300 -32.78 113.31 16.18 -31.32 111.68 15.56 -32.05 112.49 15.87 3 0 18.81 -999 ? ZN ZN B 402 >PHE^B 301 -38.16 111.38 14.04 -40.48 109.86 13.65 -39.32 110.62 13.85 3 0 12.96 -999 ? ZN ZN B 402 >VAL^B 302 -34.96 107.92 13.63 -33.31 106.71 14.43 -34.14 107.32 14.03 3 0 13.49 -999 ? ZN ZN B 402 >THR^B 303 -37.37 106.23 11.12 -39.15 107.32 10.30 -38.26 106.78 10.71 2 0 9.94 -999 ? ZN ZN B 401 >GLY.B 304 -37.52 104.72 7.61 -38.13 105.28 7.78 -37.83 105.00 7.69 1 0 8.91 -999 ? ZN ZN B 401 >ASP.B 305 -40.41 105.08 4.17 -40.72 103.08 3.51 -40.56 104.08 3.84 2 0 7.64 -999 ? ZN ZN B 401 >ILE.B 306 -36.73 109.86 5.25 -36.36 110.60 6.47 -36.55 110.23 5.86 3 0 14.01 -999 ? ZN ZN B 401 >LYS~B 307 -38.53 111.12 1.13 -44.30 110.60 0.01 -41.42 110.86 0.57 2 0 11.14 -999 ? ZN ZN A 402 >HIS~B 308 -35.94 115.60 -2.36 -34.88 117.34 -2.86 -35.41 116.47 -2.61 3 0 6.54 -999 ? ZN ZN A 402 >HIS~B 309 -40.27 117.69 -1.83 -39.84 118.53 -3.70 -40.06 118.11 -2.77 3 0 5.48 -999 ? ZN ZN A 402 >ASP~B 310 -40.42 114.63 4.44 -42.44 114.56 3.83 -41.43 114.60 4.13 2 0 12.35 -999 ? ZN ZN A 402 >ALA~B 311 -35.94 115.65 4.45 -34.97 114.68 3.72 -35.46 115.17 4.09 2 0 12.53 -999 ? ZN ZN A 402 >LEU~B 312 -36.04 119.44 1.32 -35.12 120.85 -0.09 -35.58 120.15 0.61 3 0 9.97 -999 ? ZN ZN A 402 >ASP~B 313 -39.61 120.08 5.22 -40.78 120.61 3.53 -40.19 120.34 4.37 2 0 12.28 -999 ? ZN ZN A 402 >ALA~B 314 -36.50 118.91 8.14 -36.25 117.42 8.39 -36.37 118.17 8.26 2 0 16.61 -999 ? ZN ZN A 402 >LYS~B 315 -33.07 120.28 7.09 -27.74 119.98 5.88 -30.40 120.13 6.49 2 0 18.28 -999 ? ZN ZN A 402 >ILE~B 316 -35.12 124.50 5.59 -36.00 125.53 5.05 -35.56 125.01 5.32 3 0 16.17 -999 ? ZN ZN A 402 >HIS~B 317 -38.40 123.74 9.47 -39.77 124.82 8.30 -39.08 124.28 8.88 3 0 18.53 -999 ? ZN ZN A 402 >GLY.B 318 -32.98 122.14 11.89 -33.67 121.77 11.74 -33.32 121.95 11.82 1 0 21.53 -999 ? ZN ZN A 402 >VAL.B 319 -34.86 118.87 12.59 -37.01 118.35 12.88 -35.93 118.61 12.74 3 0 21.03 -999 ? ZN ZN A 402 >ASN.B 320 -31.14 115.93 13.50 -30.16 117.79 13.90 -30.65 116.86 13.70 2 0 23.67 -999 ? ZN ZN A 402 >LEU^B 321 -34.15 112.90 9.63 -36.13 113.84 9.47 -35.14 113.37 9.55 3 0 17.10 -999 ? ZN ZN B 401 >ILE^B 322 -30.90 108.55 11.32 -29.73 108.13 11.96 -30.32 108.34 11.64 3 0 16.96 -999 ? ZN ZN B 401 >ASP^B 323 -33.57 107.34 6.30 -34.87 106.07 5.21 -34.22 106.70 5.75 2 0 12.28 -999 ? ZN ZN B 401 >ILE.B 324 -32.60 102.90 10.45 -32.97 102.93 11.84 -32.78 102.91 11.14 3 0 12.22 -999 ? ZN ZN B 401 >ASN~B 325 -34.08 101.07 5.49 -32.41 102.02 4.50 -33.24 101.54 4.99 2 0 12.86 -999 ? ZN ZN B 401 >HIS~B 326 -40.92 100.43 6.30 -42.93 100.06 6.77 -41.93 100.24 6.54 3 0 -3.48 -999 ? ZN ZN B 401s >TYR~B 327 -35.81 95.23 5.63 -35.48 92.50 6.11 -35.64 93.87 5.87 3 0 10.21 -999 ? ZN ZN B 401 >SER~B 328 -35.17 97.75 10.01 -33.21 99.13 9.77 -34.19 98.44 9.89 2 0 10.89 -999 ? ZN ZN B 401 >GLU~B 329 -40.29 98.42 11.20 -42.37 98.57 11.02 -41.33 98.49 11.11 2 0 2.54 -999 ? ZN ZN B 402s >TYR~B 330 -34.63 93.02 10.28 -32.00 93.52 11.20 -33.31 93.27 10.74 3 0 12.23 -999 ? ZN ZN B 401 >VAL~B 331 -35.72 93.30 14.48 -35.07 95.38 15.07 -35.39 94.34 14.78 3 0 10.43 -999 ? ZN ZN B 402 >MET~B 332 -39.19 92.21 15.66 -41.40 91.46 13.16 -40.29 91.83 14.41 2 0 8.04 -999 ? ZN ZN B 402 >LYS~B 333 -38.73 88.63 14.36 -36.14 88.00 9.08 -37.43 88.32 11.72 2 0 13.39 -999 ? ZN ZN B 401 >GLU~B 334 -33.85 87.37 15.86 -33.56 85.28 16.19 -33.70 86.33 16.02 2 0 17.83 -999 ? ZN ZN B 402 >GLY~B 335 -37.70 90.31 19.42 -38.03 89.63 19.05 -37.87 89.97 19.24 1 0 12.98 -999 ? ZN ZN B 402 >LEU~B 336 -42.15 88.81 18.07 -44.32 88.58 18.18 -43.24 88.69 18.12 3 0 11.72 -999 ? ZN ZN B 402 >LYS~B 337 -39.69 85.19 19.25 -35.37 81.01 18.46 -37.53 83.10 18.86 2 0 20.93 -999 ? ZN ZN B 402 >THR~B 338 -38.01 86.11 22.61 -36.16 87.10 23.19 -37.09 86.61 22.90 2 0 18.00 -999 ? ZN ZN B 402 >LEU~B 339 -42.08 88.73 23.33 -41.87 90.87 23.70 -41.98 89.80 23.51 3 0 14.55 -999 ? ZN ZN B 402 >LEU~B 340 -43.74 84.25 21.45 -45.70 83.32 20.94 -44.72 83.78 21.20 3 0 17.44 -999 ? ZN ZN B 402 >MET~B 341 -40.91 82.07 24.36 -37.60 80.92 22.22 -39.25 81.50 23.29 2 0 21.57 -999 ? ZN ZN B 402 >ASN~B 342 -40.74 85.47 27.90 -41.03 86.13 29.94 -40.88 85.80 28.92 2 0 21.94 -999 ? ZN ZN B 402 >TRP~B 343 -44.99 87.08 27.38 -45.87 88.61 23.86 -45.43 87.84 25.62 3 0 17.23 -999 ? ZN ZN B 402 >PHE~B 344 -45.25 79.78 24.19 -46.74 79.97 21.79 -45.99 79.88 22.99 3 0 21.77 -999 ? ZN ZN B 402 >ASN~B 345 -41.25 80.30 29.90 -40.44 79.74 31.83 -40.84 80.02 30.86 2 0 27.56 -999 ? ZN ZN B 402 >ILE~B 346 -45.42 82.76 31.99 -45.50 84.07 32.24 -45.46 83.42 32.11 3 0 25.06 -999 ? ZN ZN B 402 >GLU~B 347 -50.18 80.14 30.04 -50.60 82.14 30.54 -50.39 81.14 30.29 2 0 25.41 -999 ? ZN ZN B 402 >LYS.B 348 -45.82 76.15 30.63 -44.25 78.32 34.65 -45.03 77.24 32.64 2 0 30.27 -999 ? ZN ZN B 402 >ILE.B 349 -47.08 76.79 26.05 -48.05 77.38 25.58 -47.57 77.08 25.81 3 0 25.74 -999 ? ZN ZN B 402 >ASN.B 350 -43.56 72.18 25.31 -43.16 71.77 27.37 -43.36 71.98 26.34 2 0 30.96 -999 ? ZN ZN B 402 >ILE.B 351 -45.86 75.47 21.01 -47.10 75.51 20.46 -46.48 75.49 20.73 3 0 24.87 -999 ? ZN ZN B 402 >ASP.B 352 -40.82 74.97 18.30 -40.24 73.02 18.95 -40.53 73.99 18.62 2 0 26.97 -999 ? ZN ZN B 402 >VAL^B 353 -41.01 79.46 18.27 -42.10 81.06 19.35 -41.56 80.26 18.81 3 0 19.87 -999 ? ZN ZN B 402 >GLU^B 354 -37.43 78.09 15.20 -36.78 76.82 13.66 -37.10 77.45 14.43 2 0 23.36 -999 ? ZN ZN B 402 >ALA^B 355 -37.64 83.78 14.03 -36.69 84.81 14.61 -37.17 84.29 14.32 2 0 16.21 -999 ? ZN ZN B 402 >SER.B 356 -37.69 83.51 10.20 -38.30 83.95 7.88 -37.99 83.73 9.04 2 0 15.96 -999 ? ZN ZN B 401 >THR.B 357 -34.09 83.81 8.88 -33.33 81.74 8.97 -33.71 82.77 8.92 2 0 20.15 -999 ? ZN ZN B 401 >ILE.B 358 -36.35 84.41 4.61 -36.91 83.61 3.74 -36.63 84.01 4.17 3 0 17.20 -999 ? ZN ZN B 401 >ASN.B 359 -32.68 88.91 3.99 -32.53 91.05 3.94 -32.61 89.98 3.97 2 0 14.74 -999 ? ZN ZN B 401 >THR.B 360 -37.37 89.63 2.92 -38.80 89.04 4.49 -38.08 89.34 3.70 2 0 11.92 -999 ? ZN ZN B 401 >ASP.B 361 -34.85 93.86 2.41 -34.87 96.02 2.16 -34.86 94.94 2.28 2 0 11.71 -999 ? ZN ZN B 401 >PRO.B 362 -38.88 95.51 -0.47 -37.38 93.88 -0.75 -38.13 94.70 -0.61 3 0 11.92 -999 ? ZN ZN B 401 >PHE^B 363 -35.37 98.65 -1.40 -37.23 100.69 -1.90 -36.30 99.67 -1.65 3 0 13.11 -999 ? ZN ZN B 401 >GLN^B 364 -29.16 93.68 -3.73 -28.66 91.97 -4.89 -28.91 92.82 -4.31 2 0 21.76 -999 ? ZN ZN B 401 >TYR^B 365 -29.29 98.99 -0.08 -31.62 99.98 1.12 -30.45 99.48 0.52 3 0 15.98 -999 ? ZN ZN B 401 >ILE.B 366 -25.45 98.14 -5.79 -25.88 98.28 -6.68 -25.66 98.21 -6.24 3 0 22.82 -999 ? ZN ZN A 402