HEADER HYDROLASE/RNA 27-NOV-98 XXXX TITLE THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED TITLE 2 WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE TITLE 3 SUBSTRATE BINDING MODES AND CATALYSIS. COMPND ENDORIBONUCLEASE T1/DINUCLEOTIDE COMPLEX KEYWDS HYDROLASE, ENDORIBONUCLEASE, HYDROLASE/RNA EXPDTA X-RAY DIFFRACTION AUTHOR R.K.ARNI, L.WATANABE, R.J.WARD, R.J.KREITMAN, K.KUMAR, AUTHOR 2 F.G.WALZ JR. JRNL AUTH R.K.ARNI, L.WATANABE, R.J.WARD, R.J.KREITMAN, JRNL AUTH 2 K.KUMAR, F.G.WALZ JR. JRNL TITL THREE-DIMENSIONAL STRUCTURE OF RIBONUCLEASE T1 JRNL TITL 2 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE SUBSTRATE JRNL TITL 3 ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES JRNL TITL 4 AND CATALYSIS. JRNL REF BIOCHEMISTRY V. 38 2452 1999 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.K.ARNI, G.P.PAL, K.G.RAVICHANDRAN, A.TULINSKY, REMARK 1 AUTH 2 P.F.G.W.METCALF JR. REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF GLN 25-RIBONUCLEASE REMARK 1 TITL 2 T1 AT 1.84 ANGSTROMS RESOLUTION: STRUCTURAL REMARK 1 TITL 3 VARIATIONS AT THE BASE RECOGNITION AND CATALYTIC REMARK 1 TITL 4 SITES REMARK 1 REF BIOCHEMISTRY V. 31 3126 1992 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.KOSTREWA, H.-W.CHOE, U.HEINEMANN, W.SAENGER REMARK 1 TITL CRYSTAL STRUCTURE OF GUANOSINE-FREE RIBONUCLEASE REMARK 1 TITL 2 T1, COMPLEXED WITH VANADATE(V), SUGGESTS REMARK 1 TITL 3 CONFORMATIONAL CHANGE UPON SUBSTRATE BINDING REMARK 1 REF BIOCHEMISTRY V. 28 7592 1989 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH R.ARNI, U.HEINEMANN, R.TOKUOKA, W.SAENGER REMARK 1 TITL THREE DIMENSIONAL STRUCTURES OF THE RIBONUCLEASE REMARK 1 TITL 2 T1 2'-GMP COMPLEX AT 1.9 ANGSTROMS RESOLUTION REMARK 1 REF J.BIOL.CHEM. V. 263 15358 1988 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.ARNI, V.HEINEMANN, M.MASLOWSKA, R.TOKUOKA, REMARK 1 AUTH 2 W.SAENGER REMARK 1 TITL RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL REMARK 1 TITL 2 STRUCTURE OF THE RIBONUCLEASE T1 2'-GUANYLIC ACID REMARK 1 TITL 3 COMPLEX AT 1.9 ANGSTROMS RESOLUTION REMARK 1 REF ACTA CRYSTALLOGR., SECT.B V. 43 548 1987 REMARK 1 REFN ASTM ASBSDK DK ISSN 0108-7681 REMARK 1 REFERENCE 5 REMARK 1 AUTH R.ARNI, U.HEINEMANN, W.SAENGER REMARK 1 TITL STRUCTURE AND FUNCTION OF THE ENZYME RIBONUCLEASE REMARK 1 TITL 2 T1 REMARK 1 REF FRESENIUS Z.ANAL.CHEM. V. 327 67 1987 REMARK 1 REFN ASTM ZACFAU GW ISSN 0016-1152 REMARK 1 REFERENCE 6 REMARK 1 AUTH P.O.MARTIN, A.TULINSKY, F.G.WALZ REMARK 1 TITL CRYSTALLIZATION OF RIBONUCLEASE T1 REMARK 1 REF J.MOL.BIOL. V. 136 95 1980 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 SEQRES 1 C 2 G U34 SEQRES 1 D 2 G U34 SEQRES 1 E 2 G U34 SEQRES 1 A 104 ALA CYS ASP TYR THR CYS GLY SER ASN CYS TYR SER SER SEQRES 2 A 104 SER ASP VAL SER THR ALA GLN ALA ALA GLY TYR GLN LEU SEQRES 3 A 104 HIS GLU ASP GLY GLU THR VAL GLY SER ASN SER TYR PRO SEQRES 4 A 104 HIS LYS TYR ASN ASN TYR GLU GLY PHE ASP PHE SER VAL SEQRES 5 A 104 SER SER PRO TYR TYR GLU TRP PRO ILE LEU SER SER GLY SEQRES 6 A 104 ASP VAL TYR SER GLY GLY SER PRO GLY ALA ASP ARG VAL SEQRES 7 A 104 VAL PHE ASN GLU ASN ASN GLN LEU ALA GLY VAL ILE THR SEQRES 8 A 104 HIS THR GLY ALA SER GLY ASN ASN PHE VAL GLU CYS THR SEQRES 1 B 104 ALA CYS ASP TYR THR CYS GLY SER ASN CYS TYR SER SER SEQRES 2 B 104 SER ASP VAL SER THR ALA GLN ALA ALA GLY TYR GLN LEU SEQRES 3 B 104 HIS GLU ASP GLY GLU THR VAL GLY SER ASN SER TYR PRO SEQRES 4 B 104 HIS LYS TYR ASN ASN TYR GLU GLY PHE ASP PHE SER VAL SEQRES 5 B 104 SER SER PRO TYR TYR GLU TRP PRO ILE LEU SER SER GLY SEQRES 6 B 104 ASP VAL TYR SER GLY GLY SER PRO GLY ALA ASP ARG VAL SEQRES 7 B 104 VAL PHE ASN GLU ASN ASN GLN LEU ALA GLY VAL ILE THR SEQRES 8 B 104 HIS THR GLY ALA SER GLY ASN ASN PHE VAL GLU CYS THR HETNAM U34 URIDINE 5'-MONOMETHYLPHOSPHATE FORMUL 1 U34 3(C10 H15 N2 O9 P) FORMUL 6 HOH *92(H2 O) HELIX 1 1 SER A 13 GLU A 28 1 16 HELIX 2 2 SER B 13 ASP B 29 1 17 SHEET 1 A 2 TYR A 4 CYS A 6 0 SHEET 2 A 2 ASN A 9 TYR A 11 -1 N TYR A 11 O TYR A 4 SHEET 1 B 4 HIS A 40 TYR A 42 0 SHEET 2 B 4 TYR A 56 PRO A 60 -1 N GLU A 58 O HIS A 40 SHEET 3 B 4 ASP A 76 ASN A 81 -1 N PHE A 80 O TYR A 57 SHEET 4 B 4 LEU A 86 THR A 91 -1 N ILE A 90 O ARG A 77 SHEET 1 C 2 TYR B 4 CYS B 6 0 SHEET 2 C 2 ASN B 9 TYR B 11 -1 N TYR B 11 O TYR B 4 SHEET 1 D 4 HIS B 40 TYR B 42 0 SHEET 2 D 4 TYR B 56 PRO B 60 -1 N GLU B 58 O HIS B 40 SHEET 3 D 4 ASP B 76 ASN B 81 -1 N PHE B 80 O TYR B 57 SHEET 4 D 4 LEU B 86 THR B 91 -1 N ILE B 90 O ARG B 77 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 SSBOND 3 CYS B 2 CYS B 10 SSBOND 4 CYS B 6 CYS B 103 CISPEP 1 TYR A 38 PRO A 39 1 -0.07 CISPEP 2 SER A 54 PRO A 55 1 1.24 CISPEP 3 TYR B 38 PRO B 39 1 1.06 CISPEP 4 SER B 54 PRO B 55 1 -0.08 CRYST1 69.910 90.290 33.980 90.00 90.00 90.00 P 21 21 21 12 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 0.014304 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011075 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029429 0.00000 MTRIX1 1 -0.070100 0.967600 -0.242700 51.29900 1 MTRIX2 1 -0.524700 0.171100 0.833900 4.64900 1 MTRIX3 1 0.848400 0.185800 0.495700 -14.75900 1 MTRIX1 2 0.541300 0.640400 0.546900 -16.61400 1 MTRIX2 2 0.040900 0.627200 -0.777800 43.66600 1 MTRIX3 2 -0.839800 0.443300 0.313300 67.11300 1 ATOM 1 N9 G D 105 6.649 32.090 13.031 1.00 12.38 N ATOM 2 C8 G D 105 6.823 33.105 12.185 1.00 10.67 C ATOM 3 N7 G D 105 5.894 33.425 11.379 1.00 14.64 N ATOM 4 C5 G D 105 4.916 32.479 11.718 1.00 11.62 C ATOM 5 C6 G D 105 3.600 32.305 11.213 1.00 10.11 C ATOM 6 O6 G D 105 3.044 32.922 10.313 1.00 9.78 O ATOM 7 N1 G D 105 2.935 31.281 11.860 1.00 7.04 N ATOM 8 C2 G D 105 3.463 30.511 12.868 1.00 4.76 C ATOM 9 N2 G D 105 2.668 29.582 13.381 1.00 7.43 N ATOM 10 N3 G D 105 4.702 30.662 13.347 1.00 7.90 N ATOM 11 C4 G D 105 5.373 31.657 12.735 1.00 8.15 C ATOM 12 O5' G D 105 5.569 28.929 15.253 1.00 12.63 O ATOM 13 C5' G D 105 6.879 28.376 15.232 1.00 14.72 C ATOM 14 C4' G D 105 7.929 29.449 15.071 1.00 16.52 C ATOM 15 O4' G D 105 7.817 30.122 13.796 1.00 18.05 O ATOM 16 C3' G D 105 7.756 30.503 16.148 1.00 18.89 C ATOM 17 O3' G D 105 9.033 30.874 16.647 1.00 21.06 O ATOM 18 C2' G D 105 7.099 31.674 15.453 1.00 16.08 C ATOM 19 O2' G D 105 7.494 32.898 16.053 1.00 15.17 O ATOM 20 C1' G D 105 7.592 31.536 14.021 1.00 18.21 C HETATM 21 P U34 D 106 9.299 31.039 18.195 1.00 24.12 P HETATM 22 O1P U34 D 106 8.151 31.822 18.755 1.00 32.55 O HETATM 23 O2P U34 D 106 10.672 31.568 18.326 1.00 24.46 O HETATM 24 N1 U34 D 106 12.748 24.730 19.863 1.00 38.29 N HETATM 25 C2 U34 D 106 13.030 23.404 19.547 1.00 38.41 C HETATM 26 O2 U34 D 106 12.143 22.581 19.283 1.00 39.79 O HETATM 27 N3 U34 D 106 14.374 23.049 19.575 1.00 38.34 N HETATM 28 C4 U34 D 106 15.433 23.893 19.895 1.00 36.94 C HETATM 29 O4 U34 D 106 16.597 23.492 19.855 1.00 38.77 O HETATM 30 C5 U34 D 106 15.031 25.246 20.225 1.00 35.86 C HETATM 31 C U34 D 106 9.283 29.442 18.899 1.00 26.94 C HETATM 32 C6 U34 D 106 13.731 25.613 20.199 1.00 37.60 C HETATM 33 C5' U34 D 106 10.140 28.327 18.400 1.00 29.33 C HETATM 34 C4' U34 D 106 10.220 27.026 19.138 1.00 29.13 C HETATM 35 O4' U34 D 106 11.379 26.317 18.788 1.00 32.95 O HETATM 36 C3' U34 D 106 10.252 27.102 20.629 1.00 29.41 C HETATM 37 O3' U34 D 106 8.970 27.412 21.081 1.00 30.32 O HETATM 38 C2' U34 D 106 10.724 25.683 20.978 1.00 32.29 C HETATM 39 O2' U34 D 106 9.613 24.843 21.301 1.00 34.96 O HETATM 40 C1' U34 D 106 11.384 25.202 19.676 1.00 32.97 C TER 41 U34 D 106 ATOM 42 N9 G E 105 2.771 20.039 30.735 1.00 20.54 N ATOM 43 C8 G E 105 2.579 18.847 30.160 1.00 17.73 C ATOM 44 N7 G E 105 1.708 18.047 30.632 1.00 18.06 N ATOM 45 C5 G E 105 1.211 18.815 31.686 1.00 18.89 C ATOM 46 C6 G E 105 0.116 18.568 32.568 1.00 23.21 C ATOM 47 O6 G E 105 -0.526 17.522 32.732 1.00 27.60 O ATOM 48 N1 G E 105 -0.138 19.659 33.382 1.00 24.69 N ATOM 49 C2 G E 105 0.566 20.839 33.367 1.00 26.66 C ATOM 50 N2 G E 105 0.177 21.778 34.227 1.00 30.14 N ATOM 51 N3 G E 105 1.600 21.074 32.554 1.00 24.86 N ATOM 52 C4 G E 105 1.865 20.036 31.747 1.00 17.89 C ATOM 53 O5' G E 105 3.020 23.626 33.001 1.00 27.35 O ATOM 54 C5' G E 105 4.388 23.760 32.629 1.00 19.86 C ATOM 55 C4' G E 105 4.692 23.013 31.349 1.00 20.52 C ATOM 56 O4' G E 105 4.463 21.593 31.488 1.00 19.78 O ATOM 57 C3' G E 105 3.817 23.496 30.204 1.00 21.18 C ATOM 58 O3' G E 105 4.662 23.757 29.087 1.00 22.04 O ATOM 59 C2' G E 105 2.902 22.346 29.881 1.00 22.11 C ATOM 60 O2' G E 105 2.623 22.289 28.482 1.00 24.74 O ATOM 61 C1' G E 105 3.678 21.137 30.364 1.00 20.07 C HETATM 62 P U34 E 106 4.404 24.883 27.981 1.00 21.12 P HETATM 63 O1P U34 E 106 4.738 26.178 28.617 1.00 18.61 O HETATM 64 O2P U34 E 106 3.083 24.699 27.371 1.00 21.35 O HETATM 65 N1 U34 E 106 5.111 23.087 21.596 1.00 20.89 N HETATM 66 C2 U34 E 106 5.731 22.195 20.742 1.00 19.52 C HETATM 67 O2 U34 E 106 6.952 22.017 20.753 1.00 18.89 O HETATM 68 N3 U34 E 106 4.925 21.436 19.968 1.00 19.26 N HETATM 69 C4 U34 E 106 3.549 21.456 19.943 1.00 20.86 C HETATM 70 O4 U34 E 106 2.947 20.776 19.119 1.00 28.21 O HETATM 71 C5 U34 E 106 2.941 22.388 20.863 1.00 18.57 C HETATM 72 C U34 E 106 5.588 24.547 26.752 1.00 18.26 C HETATM 73 C6 U34 E 106 3.711 23.178 21.657 1.00 17.90 C HETATM 74 C5' U34 E 106 5.889 25.379 25.575 1.00 19.18 C HETATM 75 C4' U34 E 106 6.589 24.727 24.446 1.00 21.28 C HETATM 76 O4' U34 E 106 5.741 23.780 23.810 1.00 22.59 O HETATM 77 C3' U34 E 106 6.970 25.775 23.398 1.00 20.98 C HETATM 78 O3' U34 E 106 8.372 25.791 23.240 1.00 26.53 O HETATM 79 C2' U34 E 106 6.297 25.310 22.122 1.00 22.61 C HETATM 80 O2' U34 E 106 7.172 25.520 21.016 1.00 26.99 O HETATM 81 C1' U34 E 106 6.063 23.847 22.439 1.00 21.44 C TER 82 U34 E 106 ATOM 83 N ALA B 1 -12.767 45.110 31.021 1.00 47.95 N ATOM 84 CA ALA B 1 -13.066 45.303 29.571 1.00 46.27 C ATOM 85 C ALA B 1 -12.296 44.306 28.706 1.00 45.32 C ATOM 86 O ALA B 1 -11.065 44.377 28.599 1.00 44.41 O ATOM 87 CB ALA B 1 -12.740 46.737 29.151 1.00 44.08 C ATOM 88 N CYS B 2 -13.020 43.337 28.156 1.00 42.78 N ATOM 89 CA CYS B 2 -12.411 42.339 27.290 1.00 41.85 C ATOM 90 C CYS B 2 -12.613 42.790 25.864 1.00 39.00 C ATOM 91 O CYS B 2 -13.715 42.674 25.323 1.00 43.51 O ATOM 92 CB CYS B 2 -13.072 40.975 27.467 1.00 41.51 C ATOM 93 SG CYS B 2 -12.986 40.334 29.156 1.00 44.18 S ATOM 94 N ASP B 3 -11.580 43.379 25.280 1.00 33.93 N ATOM 95 CA ASP B 3 -11.674 43.840 23.903 1.00 30.32 C ATOM 96 C ASP B 3 -11.154 42.682 23.045 1.00 29.32 C ATOM 97 O ASP B 3 -11.521 42.568 21.848 1.00 27.46 O ATOM 98 CB ASP B 3 -10.862 45.111 23.737 1.00 29.64 C ATOM 99 CG ASP B 3 -11.500 46.270 24.475 1.00 32.57 C ATOM 100 OD1 ASP B 3 -12.639 46.639 24.114 1.00 38.85 O ATOM 101 OD2 ASP B 3 -10.896 46.791 25.431 1.00 31.63 O ATOM 102 N TYR B 4 -10.337 41.888 23.655 1.00 27.69 N ATOM 103 CA TYR B 4 -9.779 40.712 23.001 1.00 24.75 C ATOM 104 C TYR B 4 -9.855 39.544 23.943 1.00 25.78 C ATOM 105 O TYR B 4 -9.415 39.624 25.096 1.00 25.60 O ATOM 106 CB TYR B 4 -8.342 40.943 22.580 1.00 23.65 C ATOM 107 CG TYR B 4 -8.197 41.972 21.499 1.00 21.98 C ATOM 108 CD1 TYR B 4 -8.405 41.633 20.167 1.00 27.26 C ATOM 109 CD2 TYR B 4 -7.858 43.291 21.801 1.00 17.49 C ATOM 110 CE1 TYR B 4 -8.271 42.594 19.144 1.00 25.18 C ATOM 111 CE2 TYR B 4 -7.724 44.239 20.800 1.00 14.64 C ATOM 112 CZ TYR B 4 -7.925 43.887 19.480 1.00 18.89 C ATOM 113 OH TYR B 4 -7.773 44.812 18.489 1.00 20.01 O ATOM 114 N THR B 5 -10.460 38.467 23.473 1.00 25.29 N ATOM 115 CA THR B 5 -10.547 37.248 24.269 1.00 24.42 C ATOM 116 C THR B 5 -9.714 36.130 23.584 1.00 19.22 C ATOM 117 O THR B 5 -10.008 35.702 22.467 1.00 15.43 O ATOM 118 CB THR B 5 -12.014 36.798 24.430 1.00 28.88 C ATOM 119 OG1 THR B 5 -12.827 37.940 24.737 1.00 36.88 O ATOM 120 CG2 THR B 5 -12.126 35.800 25.584 1.00 32.68 C ATOM 121 N CYS B 6 -8.600 35.734 24.214 1.00 15.77 N ATOM 122 CA CYS B 6 -7.741 34.658 23.706 1.00 16.73 C ATOM 123 C CYS B 6 -7.935 33.448 24.609 1.00 15.09 C ATOM 124 O CYS B 6 -7.328 33.374 25.689 1.00 15.10 O ATOM 125 CB CYS B 6 -6.279 35.065 23.730 1.00 16.65 C ATOM 126 SG CYS B 6 -5.886 36.591 22.847 1.00 19.91 S ATOM 127 N GLY B 7 -8.716 32.479 24.158 1.00 14.58 N ATOM 128 CA GLY B 7 -8.993 31.321 24.978 1.00 9.96 C ATOM 129 C GLY B 7 -9.895 31.867 26.078 1.00 13.86 C ATOM 130 O GLY B 7 -11.046 32.268 25.828 1.00 13.36 O ATOM 131 N SER B 8 -9.353 31.939 27.293 1.00 17.51 N ATOM 132 CA SER B 8 -10.064 32.466 28.457 1.00 18.90 C ATOM 133 C SER B 8 -9.329 33.705 29.000 1.00 20.23 C ATOM 134 O SER B 8 -9.642 34.216 30.085 1.00 24.85 O ATOM 135 CB SER B 8 -10.243 31.390 29.558 1.00 17.04 C ATOM 136 OG SER B 8 -9.015 30.807 29.988 1.00 19.13 O ATOM 137 N ASN B 9 -8.339 34.174 28.246 1.00 18.94 N ATOM 138 CA ASN B 9 -7.585 35.352 28.636 1.00 17.05 C ATOM 139 C ASN B 9 -8.230 36.579 28.025 1.00 17.42 C ATOM 140 O ASN B 9 -8.443 36.644 26.811 1.00 17.31 O ATOM 141 CB ASN B 9 -6.122 35.235 28.209 1.00 15.10 C ATOM 142 CG ASN B 9 -5.372 34.215 29.015 1.00 13.60 C ATOM 143 OD1 ASN B 9 -5.849 33.782 30.050 1.00 16.12 O ATOM 144 ND2 ASN B 9 -4.197 33.805 28.542 1.00 13.71 N ATOM 145 N CYS B 10 -8.606 37.511 28.894 1.00 22.11 N ATOM 146 CA CYS B 10 -9.226 38.769 28.498 1.00 24.97 C ATOM 147 C CYS B 10 -8.217 39.896 28.401 1.00 22.99 C ATOM 148 O CYS B 10 -7.478 40.147 29.350 1.00 19.33 O ATOM 149 CB CYS B 10 -10.272 39.162 29.509 1.00 27.79 C ATOM 150 SG CYS B 10 -11.892 38.651 28.957 1.00 35.30 S ATOM 151 N TYR B 11 -8.185 40.558 27.248 1.00 22.48 N ATOM 152 CA TYR B 11 -7.276 41.674 27.014 1.00 19.19 C ATOM 153 C TYR B 11 -8.032 42.924 26.599 1.00 18.64 C ATOM 154 O TYR B 11 -8.983 42.870 25.812 1.00 17.25 O ATOM 155 CB TYR B 11 -6.224 41.311 25.966 1.00 19.03 C ATOM 156 CG TYR B 11 -5.244 40.256 26.444 1.00 17.29 C ATOM 157 CD1 TYR B 11 -4.528 40.429 27.628 1.00 16.50 C ATOM 158 CD2 TYR B 11 -5.058 39.069 25.730 1.00 16.85 C ATOM 159 CE1 TYR B 11 -3.658 39.453 28.095 1.00 18.40 C ATOM 160 CE2 TYR B 11 -4.190 38.085 26.189 1.00 17.94 C ATOM 161 CZ TYR B 11 -3.496 38.282 27.377 1.00 18.16 C ATOM 162 OH TYR B 11 -2.684 37.284 27.874 1.00 25.10 O ATOM 163 N SER B 12 -7.664 44.041 27.204 1.00 19.00 N ATOM 164 CA SER B 12 -8.298 45.301 26.872 1.00 22.09 C ATOM 165 C SER B 12 -7.455 46.024 25.819 1.00 18.76 C ATOM 166 O SER B 12 -6.259 45.746 25.679 1.00 18.66 O ATOM 167 CB SER B 12 -8.466 46.166 28.136 1.00 21.79 C ATOM 168 OG SER B 12 -7.240 46.745 28.545 1.00 21.02 O ATOM 169 N SER B 13 -8.079 46.961 25.111 1.00 15.54 N ATOM 170 CA SER B 13 -7.418 47.752 24.087 1.00 18.14 C ATOM 171 C SER B 13 -6.159 48.483 24.574 1.00 17.99 C ATOM 172 O SER B 13 -5.220 48.679 23.813 1.00 19.95 O ATOM 173 CB SER B 13 -8.409 48.746 23.523 1.00 21.78 C ATOM 174 OG SER B 13 -9.196 49.254 24.582 1.00 35.16 O ATOM 175 N SER B 14 -6.128 48.890 25.836 1.00 19.10 N ATOM 176 CA SER B 14 -4.946 49.565 26.346 1.00 20.79 C ATOM 177 C SER B 14 -3.862 48.534 26.625 1.00 20.94 C ATOM 178 O SER B 14 -2.675 48.799 26.413 1.00 24.44 O ATOM 179 CB SER B 14 -5.272 50.399 27.588 1.00 23.45 C ATOM 180 OG SER B 14 -5.904 49.625 28.591 1.00 33.40 O ATOM 181 N ASP B 15 -4.278 47.337 27.046 1.00 24.25 N ATOM 182 CA ASP B 15 -3.355 46.223 27.322 1.00 19.29 C ATOM 183 C ASP B 15 -2.573 45.923 26.066 1.00 12.09 C ATOM 184 O ASP B 15 -1.374 45.726 26.109 1.00 15.36 O ATOM 185 CB ASP B 15 -4.119 44.953 27.706 1.00 20.52 C ATOM 186 CG ASP B 15 -4.538 44.932 29.153 1.00 22.90 C ATOM 187 OD1 ASP B 15 -3.902 45.627 29.982 1.00 27.67 O ATOM 188 OD2 ASP B 15 -5.504 44.196 29.465 1.00 22.91 O ATOM 189 N VAL B 16 -3.285 45.888 24.951 1.00 11.46 N ATOM 190 CA VAL B 16 -2.700 45.619 23.655 1.00 12.17 C ATOM 191 C VAL B 16 -1.768 46.766 23.282 1.00 13.51 C ATOM 192 O VAL B 16 -0.620 46.537 22.918 1.00 14.61 O ATOM 193 CB VAL B 16 -3.804 45.421 22.605 1.00 10.65 C ATOM 194 CG1 VAL B 16 -3.205 45.196 21.233 1.00 11.45 C ATOM 195 CG2 VAL B 16 -4.663 44.231 22.990 1.00 7.93 C ATOM 196 N SER B 17 -2.212 48.003 23.486 1.00 17.64 N ATOM 197 CA SER B 17 -1.379 49.169 23.165 1.00 19.99 C ATOM 198 C SER B 17 -0.079 49.168 23.972 1.00 18.80 C ATOM 199 O SER B 17 0.996 49.445 23.438 1.00 20.85 O ATOM 200 CB SER B 17 -2.144 50.483 23.420 1.00 22.79 C ATOM 201 OG SER B 17 -3.246 50.639 22.536 1.00 25.72 O ATOM 202 N THR B 18 -0.177 48.847 25.257 1.00 14.39 N ATOM 203 CA THR B 18 0.993 48.816 26.117 1.00 16.04 C ATOM 204 C THR B 18 2.018 47.787 25.631 1.00 14.71 C ATOM 205 O THR B 18 3.203 48.096 25.477 1.00 15.76 O ATOM 206 CB THR B 18 0.573 48.549 27.589 1.00 18.41 C ATOM 207 OG1 THR B 18 -0.190 49.662 28.062 1.00 18.58 O ATOM 208 CG2 THR B 18 1.782 48.358 28.501 1.00 17.50 C ATOM 209 N ALA B 19 1.547 46.579 25.339 1.00 16.03 N ATOM 210 CA ALA B 19 2.419 45.520 24.868 1.00 12.74 C ATOM 211 C ALA B 19 3.023 45.891 23.529 1.00 12.21 C ATOM 212 O ALA B 19 4.235 45.813 23.350 1.00 17.93 O ATOM 213 CB ALA B 19 1.650 44.219 24.756 1.00 11.04 C ATOM 214 N GLN B 20 2.191 46.335 22.593 1.00 15.36 N ATOM 215 CA GLN B 20 2.680 46.717 21.266 1.00 14.33 C ATOM 216 C GLN B 20 3.798 47.743 21.340 1.00 15.00 C ATOM 217 O GLN B 20 4.824 47.604 20.678 1.00 15.51 O ATOM 218 CB GLN B 20 1.556 47.285 20.400 1.00 16.31 C ATOM 219 CG GLN B 20 2.018 47.716 18.994 1.00 13.70 C ATOM 220 CD GLN B 20 0.869 48.041 18.079 1.00 11.27 C ATOM 221 OE1 GLN B 20 -0.131 47.345 18.048 1.00 15.92 O ATOM 222 NE2 GLN B 20 1.005 49.106 17.325 1.00 12.34 N ATOM 223 N ALA B 21 3.588 48.782 22.135 1.00 15.83 N ATOM 224 CA ALA B 21 4.576 49.849 22.287 1.00 18.37 C ATOM 225 C ALA B 21 5.907 49.320 22.852 1.00 18.50 C ATOM 226 O ALA B 21 6.987 49.725 22.405 1.00 20.73 O ATOM 227 CB ALA B 21 4.013 50.969 23.171 1.00 13.19 C ATOM 228 N ALA B 22 5.824 48.404 23.817 1.00 17.31 N ATOM 229 CA ALA B 22 7.013 47.805 24.417 1.00 16.09 C ATOM 230 C ALA B 22 7.777 47.004 23.360 1.00 17.20 C ATOM 231 O ALA B 22 8.997 47.141 23.236 1.00 19.48 O ATOM 232 CB ALA B 22 6.623 46.920 25.561 1.00 15.07 C ATOM 233 N GLY B 23 7.043 46.222 22.563 1.00 17.73 N ATOM 234 CA GLY B 23 7.646 45.419 21.505 1.00 16.63 C ATOM 235 C GLY B 23 8.216 46.202 20.331 1.00 16.59 C ATOM 236 O GLY B 23 9.325 45.938 19.885 1.00 16.18 O ATOM 237 N TYR B 24 7.466 47.175 19.830 1.00 18.81 N ATOM 238 CA TYR B 24 7.922 47.994 18.712 1.00 22.70 C ATOM 239 C TYR B 24 9.181 48.782 19.062 1.00 25.24 C ATOM 240 O TYR B 24 10.065 48.946 18.223 1.00 25.79 O ATOM 241 CB TYR B 24 6.822 48.951 18.267 1.00 23.67 C ATOM 242 CG TYR B 24 7.172 49.693 17.007 1.00 28.47 C ATOM 243 CD1 TYR B 24 7.049 49.080 15.760 1.00 28.89 C ATOM 244 CD2 TYR B 24 7.675 50.993 17.062 1.00 33.03 C ATOM 245 CE1 TYR B 24 7.425 49.730 14.605 1.00 35.47 C ATOM 246 CE2 TYR B 24 8.052 51.660 15.913 1.00 36.72 C ATOM 247 CZ TYR B 24 7.931 51.026 14.682 1.00 40.39 C ATOM 248 OH TYR B 24 8.330 51.690 13.536 1.00 41.42 O ATOM 249 N GLN B 25 9.255 49.252 20.306 1.00 26.68 N ATOM 250 CA GLN B 25 10.387 50.018 20.800 1.00 29.55 C ATOM 251 C GLN B 25 11.663 49.195 20.630 1.00 28.92 C ATOM 252 O GLN B 25 12.655 49.676 20.073 1.00 30.14 O ATOM 253 CB GLN B 25 10.165 50.366 22.279 1.00 32.56 C ATOM 254 CG GLN B 25 11.284 51.181 22.935 1.00 40.57 C ATOM 255 CD GLN B 25 11.500 52.558 22.289 1.00 47.70 C ATOM 256 OE1 GLN B 25 10.549 53.230 21.866 1.00 51.45 O ATOM 257 NE2 GLN B 25 12.759 52.984 22.218 1.00 50.49 N ATOM 258 N LEU B 26 11.646 47.977 21.160 1.00 28.01 N ATOM 259 CA LEU B 26 12.784 47.063 21.058 1.00 27.91 C ATOM 260 C LEU B 26 13.053 46.814 19.574 1.00 28.74 C ATOM 261 O LEU B 26 14.217 46.742 19.152 1.00 27.65 O ATOM 262 CB LEU B 26 12.459 45.740 21.747 1.00 24.43 C ATOM 263 CG LEU B 26 12.390 45.791 23.265 1.00 21.73 C ATOM 264 CD1 LEU B 26 11.633 44.591 23.799 1.00 21.88 C ATOM 265 CD2 LEU B 26 13.797 45.868 23.834 1.00 23.49 C ATOM 266 N HIS B 27 11.979 46.645 18.792 1.00 29.16 N ATOM 267 CA HIS B 27 12.109 46.422 17.351 1.00 31.77 C ATOM 268 C HIS B 27 12.850 47.615 16.760 1.00 35.69 C ATOM 269 O HIS B 27 13.689 47.447 15.869 1.00 38.91 O ATOM 270 CB HIS B 27 10.732 46.293 16.683 1.00 27.38 C ATOM 271 CG HIS B 27 10.804 46.221 15.191 1.00 23.95 C ATOM 272 ND1 HIS B 27 11.501 45.232 14.533 1.00 29.22 N ATOM 273 CD2 HIS B 27 10.295 47.023 14.229 1.00 25.63 C ATOM 274 CE1 HIS B 27 11.423 45.434 13.240 1.00 28.41 C ATOM 275 NE2 HIS B 27 10.694 46.518 13.033 1.00 23.03 N ATOM 276 N GLU B 28 12.528 48.818 17.218 1.00 39.20 N ATOM 277 CA GLU B 28 13.180 49.989 16.672 1.00 40.88 C ATOM 278 C GLU B 28 14.620 50.096 17.225 1.00 38.91 C ATOM 279 O GLU B 28 15.539 50.402 16.473 1.00 40.79 O ATOM 280 CB GLU B 28 12.331 51.240 16.921 1.00 47.17 C ATOM 281 CG GLU B 28 12.727 52.410 16.034 1.00 62.46 C ATOM 282 CD GLU B 28 11.611 52.993 15.161 1.00 72.57 C ATOM 283 OE1 GLU B 28 11.301 52.400 14.099 1.00 77.28 O ATOM 284 OE2 GLU B 28 11.085 54.078 15.510 1.00 78.97 O ATOM 285 N ASP B 29 14.840 49.665 18.474 1.00 36.90 N ATOM 286 CA ASP B 29 16.179 49.656 19.075 1.00 37.08 C ATOM 287 C ASP B 29 17.054 48.506 18.560 1.00 36.54 C ATOM 288 O ASP B 29 18.211 48.381 18.990 1.00 38.07 O ATOM 289 CB ASP B 29 16.082 49.562 20.607 1.00 39.07 C ATOM 290 CG ASP B 29 15.723 50.883 21.268 1.00 40.79 C ATOM 291 OD1 ASP B 29 14.667 51.452 20.936 1.00 41.05 O ATOM 292 OD2 ASP B 29 16.501 51.348 22.129 1.00 39.48 O ATOM 293 N GLY B 30 16.522 47.638 17.704 1.00 32.88 N ATOM 294 CA GLY B 30 17.318 46.553 17.185 1.00 32.47 C ATOM 295 C GLY B 30 17.702 45.501 18.223 1.00 33.03 C ATOM 296 O GLY B 30 18.780 44.899 18.164 1.00 34.36 O ATOM 297 N GLU B 31 16.815 45.273 19.182 1.00 33.59 N ATOM 298 CA GLU B 31 17.070 44.289 20.216 1.00 33.55 C ATOM 299 C GLU B 31 15.932 43.313 20.352 1.00 29.12 C ATOM 300 O GLU B 31 14.824 43.550 19.871 1.00 29.39 O ATOM 301 CB GLU B 31 17.292 44.963 21.564 1.00 39.00 C ATOM 302 CG GLU B 31 18.636 45.620 21.711 1.00 46.74 C ATOM 303 CD GLU B 31 18.759 46.365 23.014 1.00 50.00 C ATOM 304 OE1 GLU B 31 17.731 46.898 23.502 1.00 53.58 O ATOM 305 OE2 GLU B 31 19.888 46.413 23.549 1.00 55.98 O ATOM 306 N THR B 32 16.205 42.255 21.099 1.00 29.06 N ATOM 307 CA THR B 32 15.245 41.205 21.349 1.00 25.29 C ATOM 308 C THR B 32 15.421 40.706 22.774 1.00 25.50 C ATOM 309 O THR B 32 16.446 40.941 23.418 1.00 22.26 O ATOM 310 CB THR B 32 15.445 40.019 20.370 1.00 24.19 C ATOM 311 OG1 THR B 32 16.818 39.607 20.385 1.00 28.31 O ATOM 312 CG2 THR B 32 15.058 40.408 18.943 1.00 20.92 C ATOM 313 N VAL B 33 14.383 40.067 23.282 1.00 26.78 N ATOM 314 CA VAL B 33 14.413 39.507 24.611 1.00 29.70 C ATOM 315 C VAL B 33 13.865 38.085 24.550 1.00 32.59 C ATOM 316 O VAL B 33 13.195 37.699 23.579 1.00 32.32 O ATOM 317 CB VAL B 33 13.612 40.366 25.623 1.00 34.36 C ATOM 318 CG1 VAL B 33 14.328 41.691 25.858 1.00 35.82 C ATOM 319 CG2 VAL B 33 12.196 40.616 25.125 1.00 32.86 C ATOM 320 N GLY B 34 14.156 37.305 25.586 1.00 33.78 N ATOM 321 CA GLY B 34 13.697 35.934 25.626 1.00 31.63 C ATOM 322 C GLY B 34 14.558 35.067 24.726 1.00 31.10 C ATOM 323 O GLY B 34 15.206 35.541 23.791 1.00 30.38 O ATOM 324 N SER B 35 14.571 33.779 25.032 1.00 33.14 N ATOM 325 CA SER B 35 15.334 32.791 24.274 1.00 35.83 C ATOM 326 C SER B 35 14.786 32.676 22.857 1.00 30.83 C ATOM 327 O SER B 35 15.514 32.341 21.923 1.00 33.49 O ATOM 328 CB SER B 35 15.248 31.439 24.977 1.00 37.55 C ATOM 329 OG SER B 35 14.096 31.402 25.792 1.00 46.33 O ATOM 330 N ASN B 36 13.490 32.933 22.715 1.00 25.70 N ATOM 331 CA ASN B 36 12.839 32.875 21.417 1.00 21.26 C ATOM 332 C ASN B 36 13.028 34.176 20.657 1.00 18.90 C ATOM 333 O ASN B 36 12.459 34.359 19.585 1.00 22.08 O ATOM 334 CB ASN B 36 11.359 32.557 21.579 1.00 21.03 C ATOM 335 CG ASN B 36 11.117 31.196 22.210 1.00 16.15 C ATOM 336 OD1 ASN B 36 9.991 30.855 22.522 1.00 19.56 O ATOM 337 ND2 ASN B 36 12.171 30.408 22.381 1.00 23.82 N ATOM 338 N SER B 37 13.785 35.100 21.250 1.00 17.22 N ATOM 339 CA SER B 37 14.101 36.381 20.637 1.00 15.60 C ATOM 340 C SER B 37 12.935 37.178 20.085 1.00 13.43 C ATOM 341 O SER B 37 12.709 37.219 18.880 1.00 14.87 O ATOM 342 CB SER B 37 15.143 36.200 19.534 1.00 20.28 C ATOM 343 OG SER B 37 16.376 35.768 20.076 1.00 33.63 O ATOM 344 N TYR B 38 12.183 37.797 20.981 1.00 14.57 N ATOM 345 CA TYR B 38 11.062 38.627 20.597 1.00 14.69 C ATOM 346 C TYR B 38 11.537 40.081 20.706 1.00 17.20 C ATOM 347 O TYR B 38 12.381 40.399 21.548 1.00 17.84 O ATOM 348 CB TYR B 38 9.877 38.363 21.532 1.00 13.06 C ATOM 349 CG TYR B 38 9.341 36.946 21.438 1.00 15.59 C ATOM 350 CD1 TYR B 38 8.698 36.496 20.288 1.00 17.20 C ATOM 351 CD2 TYR B 38 9.500 36.047 22.494 1.00 18.77 C ATOM 352 CE1 TYR B 38 8.230 35.188 20.190 1.00 16.86 C ATOM 353 CE2 TYR B 38 9.034 34.740 22.407 1.00 15.25 C ATOM 354 CZ TYR B 38 8.402 34.321 21.254 1.00 16.79 C ATOM 355 OH TYR B 38 7.928 33.038 21.169 1.00 16.09 O ATOM 356 N PRO B 39 11.073 40.956 19.800 1.00 19.04 N ATOM 357 CA PRO B 39 10.133 40.591 18.747 1.00 16.37 C ATOM 358 C PRO B 39 10.877 40.124 17.514 1.00 15.71 C ATOM 359 O PRO B 39 12.010 40.519 17.275 1.00 17.46 O ATOM 360 CB PRO B 39 9.404 41.895 18.480 1.00 15.73 C ATOM 361 CG PRO B 39 10.503 42.892 18.616 1.00 19.46 C ATOM 362 CD PRO B 39 11.288 42.420 19.822 1.00 18.11 C ATOM 363 N HIS B 40 10.255 39.216 16.779 1.00 18.34 N ATOM 364 CA HIS B 40 10.818 38.715 15.539 1.00 14.34 C ATOM 365 C HIS B 40 9.689 38.618 14.527 1.00 15.58 C ATOM 366 O HIS B 40 8.509 38.709 14.885 1.00 14.35 O ATOM 367 CB HIS B 40 11.577 37.386 15.730 1.00 16.72 C ATOM 368 CG HIS B 40 10.740 36.236 16.204 1.00 12.58 C ATOM 369 ND1 HIS B 40 10.967 35.612 17.411 1.00 10.22 N ATOM 370 CD2 HIS B 40 9.767 35.520 15.591 1.00 7.80 C ATOM 371 CE1 HIS B 40 10.177 34.558 17.517 1.00 6.06 C ATOM 372 NE2 HIS B 40 9.440 34.484 16.423 1.00 6.62 N ATOM 373 N LYS B 41 10.059 38.475 13.265 1.00 16.64 N ATOM 374 CA LYS B 41 9.100 38.426 12.173 1.00 20.42 C ATOM 375 C LYS B 41 8.029 37.343 12.185 1.00 17.31 C ATOM 376 O LYS B 41 8.293 36.168 12.462 1.00 17.74 O ATOM 377 CB LYS B 41 9.833 38.420 10.825 1.00 24.39 C ATOM 378 CG LYS B 41 8.920 38.601 9.619 1.00 34.51 C ATOM 379 CD LYS B 41 9.706 38.805 8.332 1.00 42.15 C ATOM 380 CE LYS B 41 10.625 37.619 8.026 1.00 48.85 C ATOM 381 NZ LYS B 41 10.231 36.860 6.791 1.00 52.42 N ATOM 382 N TYR B 42 6.803 37.778 11.929 1.00 13.81 N ATOM 383 CA TYR B 42 5.669 36.890 11.831 1.00 12.00 C ATOM 384 C TYR B 42 5.366 36.842 10.334 1.00 12.00 C ATOM 385 O TYR B 42 5.178 37.886 9.704 1.00 13.56 O ATOM 386 CB TYR B 42 4.474 37.436 12.604 1.00 11.09 C ATOM 387 CG TYR B 42 3.277 36.532 12.509 1.00 11.38 C ATOM 388 CD1 TYR B 42 3.214 35.345 13.246 1.00 12.28 C ATOM 389 CD2 TYR B 42 2.212 36.844 11.672 1.00 12.56 C ATOM 390 CE1 TYR B 42 2.119 34.495 13.150 1.00 14.44 C ATOM 391 CE2 TYR B 42 1.111 35.998 11.570 1.00 14.03 C ATOM 392 CZ TYR B 42 1.071 34.828 12.311 1.00 14.33 C ATOM 393 OH TYR B 42 -0.019 33.995 12.216 1.00 16.70 O ATOM 394 N ASN B 43 5.388 35.634 9.770 1.00 10.32 N ATOM 395 CA ASN B 43 5.147 35.407 8.352 1.00 12.22 C ATOM 396 C ASN B 43 3.681 35.431 7.933 1.00 11.44 C ATOM 397 O ASN B 43 3.379 35.729 6.790 1.00 17.87 O ATOM 398 CB ASN B 43 5.750 34.066 7.918 1.00 9.04 C ATOM 399 CG ASN B 43 7.265 34.056 7.959 1.00 10.65 C ATOM 400 OD1 ASN B 43 7.916 34.806 7.248 1.00 15.28 O ATOM 401 ND2 ASN B 43 7.835 33.189 8.793 1.00 11.29 N ATOM 402 N ASN B 44 2.779 35.116 8.857 1.00 14.93 N ATOM 403 CA ASN B 44 1.334 35.043 8.603 1.00 14.00 C ATOM 404 C ASN B 44 0.983 33.797 7.785 1.00 19.04 C ATOM 405 O ASN B 44 0.156 33.835 6.871 1.00 21.69 O ATOM 406 CB ASN B 44 0.787 36.306 7.931 1.00 15.39 C ATOM 407 CG ASN B 44 -0.742 36.373 7.957 1.00 14.99 C ATOM 408 OD1 ASN B 44 -1.410 35.706 8.771 1.00 17.31 O ATOM 409 ND2 ASN B 44 -1.303 37.184 7.073 1.00 18.14 N ATOM 410 N TYR B 45 1.620 32.688 8.135 1.00 17.91 N ATOM 411 CA TYR B 45 1.381 31.410 7.485 1.00 17.14 C ATOM 412 C TYR B 45 -0.117 31.120 7.509 1.00 16.98 C ATOM 413 O TYR B 45 -0.691 30.656 6.520 1.00 14.44 O ATOM 414 CB TYR B 45 2.114 30.313 8.268 1.00 15.55 C ATOM 415 CG TYR B 45 1.715 28.895 7.898 1.00 14.83 C ATOM 416 CD1 TYR B 45 2.034 28.370 6.651 1.00 14.88 C ATOM 417 CD2 TYR B 45 1.010 28.087 8.787 1.00 13.97 C ATOM 418 CE1 TYR B 45 1.663 27.088 6.294 1.00 15.62 C ATOM 419 CE2 TYR B 45 0.635 26.796 8.434 1.00 14.11 C ATOM 420 CZ TYR B 45 0.967 26.312 7.182 1.00 12.12 C ATOM 421 OH TYR B 45 0.598 25.065 6.768 1.00 15.20 O ATOM 422 N GLU B 46 -0.733 31.423 8.648 1.00 15.83 N ATOM 423 CA GLU B 46 -2.151 31.198 8.870 1.00 16.56 C ATOM 424 C GLU B 46 -3.086 31.954 7.931 1.00 16.95 C ATOM 425 O GLU B 46 -4.283 31.705 7.927 1.00 20.40 O ATOM 426 CB GLU B 46 -2.516 31.539 10.311 1.00 13.89 C ATOM 427 CG GLU B 46 -2.006 30.562 11.365 1.00 15.06 C ATOM 428 CD GLU B 46 -0.528 30.693 11.667 1.00 11.08 C ATOM 429 OE1 GLU B 46 0.142 31.611 11.155 1.00 14.26 O ATOM 430 OE2 GLU B 46 -0.028 29.866 12.446 1.00 12.17 O ATOM 431 N GLY B 47 -2.560 32.890 7.155 1.00 14.69 N ATOM 432 CA GLY B 47 -3.424 33.637 6.262 1.00 17.81 C ATOM 433 C GLY B 47 -4.474 34.475 6.981 1.00 18.30 C ATOM 434 O GLY B 47 -5.661 34.445 6.632 1.00 20.05 O ATOM 435 N PHE B 48 -4.062 35.173 8.034 1.00 18.57 N ATOM 436 CA PHE B 48 -4.985 36.039 8.748 1.00 19.39 C ATOM 437 C PHE B 48 -5.141 37.247 7.834 1.00 22.93 C ATOM 438 O PHE B 48 -4.162 37.687 7.219 1.00 22.32 O ATOM 439 CB PHE B 48 -4.392 36.479 10.087 1.00 15.88 C ATOM 440 CG PHE B 48 -4.316 35.384 11.113 1.00 13.99 C ATOM 441 CD1 PHE B 48 -5.415 34.565 11.362 1.00 15.53 C ATOM 442 CD2 PHE B 48 -3.152 35.182 11.841 1.00 11.13 C ATOM 443 CE1 PHE B 48 -5.356 33.558 12.331 1.00 17.05 C ATOM 444 CE2 PHE B 48 -3.074 34.183 12.809 1.00 13.25 C ATOM 445 CZ PHE B 48 -4.174 33.372 13.056 1.00 15.06 C ATOM 446 N ASP B 49 -6.359 37.763 7.696 1.00 26.95 N ATOM 447 CA ASP B 49 -6.558 38.930 6.833 1.00 29.27 C ATOM 448 C ASP B 49 -6.269 40.223 7.594 1.00 27.07 C ATOM 449 O ASP B 49 -7.160 40.874 8.138 1.00 25.64 O ATOM 450 CB ASP B 49 -7.953 38.942 6.178 1.00 35.41 C ATOM 451 CG ASP B 49 -9.077 39.177 7.168 1.00 44.59 C ATOM 452 OD1 ASP B 49 -8.993 38.688 8.320 1.00 49.24 O ATOM 453 OD2 ASP B 49 -10.054 39.864 6.785 1.00 51.68 O ATOM 454 N PHE B 50 -4.986 40.523 7.720 1.00 25.63 N ATOM 455 CA PHE B 50 -4.556 41.721 8.404 1.00 22.02 C ATOM 456 C PHE B 50 -4.806 42.905 7.484 1.00 23.00 C ATOM 457 O PHE B 50 -4.447 42.866 6.311 1.00 28.92 O ATOM 458 CB PHE B 50 -3.071 41.614 8.750 1.00 16.14 C ATOM 459 CG PHE B 50 -2.766 40.617 9.834 1.00 13.37 C ATOM 460 CD1 PHE B 50 -3.712 40.314 10.802 1.00 7.53 C ATOM 461 CD2 PHE B 50 -1.505 40.020 9.912 1.00 10.75 C ATOM 462 CE1 PHE B 50 -3.415 39.448 11.830 1.00 16.11 C ATOM 463 CE2 PHE B 50 -1.195 39.151 10.935 1.00 11.95 C ATOM 464 CZ PHE B 50 -2.145 38.860 11.900 1.00 14.92 C ATOM 465 N SER B 51 -5.461 43.935 8.002 1.00 25.01 N ATOM 466 CA SER B 51 -5.759 45.131 7.223 1.00 26.45 C ATOM 467 C SER B 51 -4.498 45.961 6.971 1.00 26.73 C ATOM 468 O SER B 51 -4.381 46.622 5.940 1.00 27.34 O ATOM 469 CB SER B 51 -6.801 45.968 7.955 1.00 25.30 C ATOM 470 OG SER B 51 -7.798 45.114 8.501 1.00 32.55 O ATOM 471 N VAL B 52 -3.562 45.941 7.920 1.00 26.19 N ATOM 472 CA VAL B 52 -2.316 46.697 7.784 1.00 23.52 C ATOM 473 C VAL B 52 -1.320 45.897 6.960 1.00 23.66 C ATOM 474 O VAL B 52 -1.446 44.681 6.852 1.00 22.12 O ATOM 475 CB VAL B 52 -1.703 47.066 9.154 1.00 23.00 C ATOM 476 CG1 VAL B 52 -2.758 47.719 10.023 1.00 22.08 C ATOM 477 CG2 VAL B 52 -1.110 45.833 9.837 1.00 20.99 C ATOM 478 N SER B 53 -0.300 46.567 6.437 1.00 23.40 N ATOM 479 CA SER B 53 0.676 45.896 5.592 1.00 24.67 C ATOM 480 C SER B 53 1.947 45.403 6.262 1.00 22.77 C ATOM 481 O SER B 53 2.315 45.855 7.350 1.00 23.69 O ATOM 482 CB SER B 53 1.010 46.755 4.369 1.00 30.26 C ATOM 483 OG SER B 53 1.604 47.979 4.750 1.00 38.70 O ATOM 484 N SER B 54 2.602 44.472 5.574 1.00 22.41 N ATOM 485 CA SER B 54 3.829 43.832 6.012 1.00 23.50 C ATOM 486 C SER B 54 5.031 44.773 5.996 1.00 21.42 C ATOM 487 O SER B 54 4.974 45.833 5.374 1.00 22.91 O ATOM 488 CB SER B 54 4.061 42.597 5.132 1.00 23.47 C ATOM 489 OG SER B 54 5.376 42.525 4.624 1.00 30.77 O ATOM 490 N PRO B 55 6.135 44.391 6.667 1.00 21.64 N ATOM 491 CA PRO B 55 6.343 43.153 7.437 1.00 24.43 C ATOM 492 C PRO B 55 5.660 43.139 8.808 1.00 21.27 C ATOM 493 O PRO B 55 5.346 44.193 9.361 1.00 23.49 O ATOM 494 CB PRO B 55 7.862 43.089 7.570 1.00 22.69 C ATOM 495 CG PRO B 55 8.222 44.518 7.694 1.00 24.28 C ATOM 496 CD PRO B 55 7.380 45.178 6.626 1.00 21.94 C ATOM 497 N TYR B 56 5.449 41.937 9.340 1.00 19.68 N ATOM 498 CA TYR B 56 4.809 41.739 10.639 1.00 13.61 C ATOM 499 C TYR B 56 5.785 41.226 11.682 1.00 10.95 C ATOM 500 O TYR B 56 6.791 40.593 11.359 1.00 11.88 O ATOM 501 CB TYR B 56 3.647 40.757 10.527 1.00 12.51 C ATOM 502 CG TYR B 56 2.636 41.141 9.488 1.00 10.27 C ATOM 503 CD1 TYR B 56 1.880 42.306 9.616 1.00 15.04 C ATOM 504 CD2 TYR B 56 2.438 40.348 8.369 1.00 11.55 C ATOM 505 CE1 TYR B 56 0.958 42.667 8.659 1.00 10.68 C ATOM 506 CE2 TYR B 56 1.520 40.696 7.413 1.00 11.39 C ATOM 507 CZ TYR B 56 0.779 41.854 7.560 1.00 14.03 C ATOM 508 OH TYR B 56 -0.162 42.174 6.610 1.00 11.51 O ATOM 509 N TYR B 57 5.483 41.502 12.940 1.00 9.92 N ATOM 510 CA TYR B 57 6.336 41.070 14.034 1.00 9.90 C ATOM 511 C TYR B 57 5.469 40.475 15.117 1.00 12.05 C ATOM 512 O TYR B 57 4.317 40.887 15.315 1.00 14.98 O ATOM 513 CB TYR B 57 7.149 42.251 14.597 1.00 12.95 C ATOM 514 CG TYR B 57 8.015 42.882 13.547 1.00 10.61 C ATOM 515 CD1 TYR B 57 9.266 42.352 13.246 1.00 14.68 C ATOM 516 CD2 TYR B 57 7.535 43.937 12.767 1.00 12.97 C ATOM 517 CE1 TYR B 57 10.021 42.846 12.179 1.00 18.04 C ATOM 518 CE2 TYR B 57 8.278 44.446 11.701 1.00 19.27 C ATOM 519 CZ TYR B 57 9.523 43.892 11.414 1.00 21.55 C ATOM 520 OH TYR B 57 10.275 44.399 10.382 1.00 28.47 O ATOM 521 N GLU B 58 6.035 39.504 15.811 1.00 10.44 N ATOM 522 CA GLU B 58 5.362 38.810 16.888 1.00 9.76 C ATOM 523 C GLU B 58 5.978 39.203 18.240 1.00 8.10 C ATOM 524 O GLU B 58 7.196 39.261 18.402 1.00 8.73 O ATOM 525 CB GLU B 58 5.488 37.308 16.631 1.00 13.74 C ATOM 526 CG GLU B 58 5.023 36.400 17.742 1.00 12.24 C ATOM 527 CD GLU B 58 5.403 34.970 17.476 1.00 9.60 C ATOM 528 OE1 GLU B 58 5.550 34.612 16.285 1.00 13.37 O ATOM 529 OE2 GLU B 58 5.556 34.211 18.451 1.00 12.55 O ATOM 530 N TRP B 59 5.120 39.496 19.200 1.00 7.38 N ATOM 531 CA TRP B 59 5.564 39.903 20.518 1.00 7.84 C ATOM 532 C TRP B 59 4.533 39.398 21.499 1.00 6.85 C ATOM 533 O TRP B 59 3.326 39.505 21.262 1.00 13.49 O ATOM 534 CB TRP B 59 5.668 41.437 20.598 1.00 2.62 C ATOM 535 CG TRP B 59 5.940 41.976 21.965 1.00 11.31 C ATOM 536 CD1 TRP B 59 5.054 42.629 22.784 1.00 10.28 C ATOM 537 CD2 TRP B 59 7.188 41.946 22.673 1.00 8.75 C ATOM 538 NE1 TRP B 59 5.682 43.010 23.952 1.00 13.96 N ATOM 539 CE2 TRP B 59 6.988 42.605 23.910 1.00 12.70 C ATOM 540 CE3 TRP B 59 8.456 41.439 22.371 1.00 8.09 C ATOM 541 CZ2 TRP B 59 8.011 42.770 24.849 1.00 11.03 C ATOM 542 CZ3 TRP B 59 9.476 41.607 23.304 1.00 13.00 C ATOM 543 CH2 TRP B 59 9.244 42.268 24.530 1.00 11.27 C ATOM 544 N PRO B 60 4.996 38.796 22.603 1.00 10.17 N ATOM 545 CA PRO B 60 4.084 38.270 23.624 1.00 11.67 C ATOM 546 C PRO B 60 3.331 39.305 24.446 1.00 10.64 C ATOM 547 O PRO B 60 3.915 40.285 24.904 1.00 13.40 O ATOM 548 CB PRO B 60 5.021 37.475 24.540 1.00 9.17 C ATOM 549 CG PRO B 60 6.162 37.115 23.671 1.00 9.69 C ATOM 550 CD PRO B 60 6.372 38.385 22.883 1.00 9.33 C ATOM 551 N ILE B 61 2.029 39.106 24.582 1.00 11.46 N ATOM 552 CA ILE B 61 1.212 39.957 25.422 1.00 10.93 C ATOM 553 C ILE B 61 0.880 38.968 26.548 1.00 14.97 C ATOM 554 O ILE B 61 0.418 37.852 26.286 1.00 12.35 O ATOM 555 CB ILE B 61 -0.035 40.503 24.710 1.00 9.27 C ATOM 556 CG1 ILE B 61 -0.804 41.392 25.688 1.00 10.95 C ATOM 557 CG2 ILE B 61 -0.926 39.377 24.197 1.00 10.76 C ATOM 558 CD1 ILE B 61 -2.018 42.043 25.085 1.00 6.92 C ATOM 559 N LEU B 62 1.164 39.348 27.793 1.00 15.70 N ATOM 560 CA LEU B 62 0.976 38.464 28.944 1.00 17.11 C ATOM 561 C LEU B 62 -0.272 38.669 29.775 1.00 19.48 C ATOM 562 O LEU B 62 -0.558 39.774 30.202 1.00 18.65 O ATOM 563 CB LEU B 62 2.202 38.554 29.842 1.00 14.33 C ATOM 564 CG LEU B 62 3.569 38.617 29.156 1.00 13.90 C ATOM 565 CD1 LEU B 62 4.616 38.744 30.230 1.00 17.07 C ATOM 566 CD2 LEU B 62 3.823 37.386 28.330 1.00 15.17 C ATOM 567 N SER B 63 -0.933 37.566 30.114 1.00 20.30 N ATOM 568 CA SER B 63 -2.157 37.616 30.908 1.00 23.76 C ATOM 569 C SER B 63 -1.950 38.118 32.343 1.00 23.32 C ATOM 570 O SER B 63 -2.912 38.404 33.053 1.00 23.85 O ATOM 571 CB SER B 63 -2.845 36.248 30.921 1.00 22.70 C ATOM 572 OG SER B 63 -2.087 35.297 31.642 1.00 22.15 O ATOM 573 N SER B 64 -0.692 38.209 32.765 1.00 25.52 N ATOM 574 CA SER B 64 -0.353 38.679 34.100 1.00 24.86 C ATOM 575 C SER B 64 -0.469 40.184 34.144 1.00 28.47 C ATOM 576 O SER B 64 -0.338 40.787 35.210 1.00 30.31 O ATOM 577 CB SER B 64 1.077 38.289 34.456 1.00 24.00 C ATOM 578 OG SER B 64 2.021 38.979 33.652 1.00 27.38 O ATOM 579 N GLY B 65 -0.679 40.788 32.974 1.00 28.25 N ATOM 580 CA GLY B 65 -0.797 42.234 32.873 1.00 29.18 C ATOM 581 C GLY B 65 0.571 42.880 32.753 1.00 27.84 C ATOM 582 O GLY B 65 0.697 44.084 32.542 1.00 24.15 O ATOM 583 N ASP B 66 1.606 42.071 32.918 1.00 27.41 N ATOM 584 CA ASP B 66 2.969 42.553 32.818 1.00 26.47 C ATOM 585 C ASP B 66 3.421 42.615 31.373 1.00 23.64 C ATOM 586 O ASP B 66 2.833 41.993 30.495 1.00 22.34 O ATOM 587 CB ASP B 66 3.909 41.616 33.574 1.00 31.51 C ATOM 588 CG ASP B 66 3.674 41.632 35.058 1.00 34.65 C ATOM 589 OD1 ASP B 66 2.570 41.256 35.502 1.00 41.47 O ATOM 590 OD2 ASP B 66 4.602 42.027 35.783 1.00 35.86 O ATOM 591 N VAL B 67 4.508 43.338 31.153 1.00 17.92 N ATOM 592 CA VAL B 67 5.102 43.467 29.842 1.00 19.45 C ATOM 593 C VAL B 67 6.261 42.470 29.799 1.00 18.76 C ATOM 594 O VAL B 67 7.003 42.325 30.771 1.00 16.97 O ATOM 595 CB VAL B 67 5.584 44.913 29.599 1.00 19.84 C ATOM 596 CG1 VAL B 67 6.511 44.985 28.396 1.00 15.45 C ATOM 597 CG2 VAL B 67 4.371 45.821 29.400 1.00 16.97 C ATOM 598 N TYR B 68 6.335 41.718 28.705 1.00 19.09 N ATOM 599 CA TYR B 68 7.362 40.698 28.496 1.00 18.00 C ATOM 600 C TYR B 68 8.792 41.268 28.581 1.00 21.11 C ATOM 601 O TYR B 68 9.119 42.288 27.956 1.00 21.21 O ATOM 602 CB TYR B 68 7.120 40.008 27.136 1.00 11.40 C ATOM 603 CG TYR B 68 7.997 38.805 26.877 1.00 10.96 C ATOM 604 CD1 TYR B 68 7.756 37.597 27.517 1.00 4.18 C ATOM 605 CD2 TYR B 68 9.074 38.878 26.000 1.00 9.32 C ATOM 606 CE1 TYR B 68 8.568 36.492 27.292 1.00 13.77 C ATOM 607 CE2 TYR B 68 9.893 37.776 25.766 1.00 11.12 C ATOM 608 CZ TYR B 68 9.633 36.586 26.417 1.00 10.77 C ATOM 609 OH TYR B 68 10.441 35.503 26.203 1.00 16.23 O ATOM 610 N SER B 69 9.648 40.570 29.320 1.00 22.23 N ATOM 611 CA SER B 69 11.040 40.979 29.500 1.00 26.30 C ATOM 612 C SER B 69 11.985 39.770 29.410 1.00 27.81 C ATOM 613 O SER B 69 13.209 39.890 29.543 1.00 26.64 O ATOM 614 CB SER B 69 11.191 41.628 30.870 1.00 28.04 C ATOM 615 OG SER B 69 10.693 40.764 31.889 1.00 33.99 O ATOM 616 N GLY B 70 11.393 38.609 29.146 1.00 28.60 N ATOM 617 CA GLY B 70 12.120 37.349 29.070 1.00 26.23 C ATOM 618 C GLY B 70 11.232 36.351 29.796 1.00 25.67 C ATOM 619 O GLY B 70 10.136 36.698 30.249 1.00 27.81 O ATOM 620 N GLY B 71 11.683 35.122 29.946 1.00 21.98 N ATOM 621 CA GLY B 71 10.836 34.162 30.626 1.00 23.69 C ATOM 622 C GLY B 71 9.753 33.601 29.721 1.00 20.82 C ATOM 623 O GLY B 71 9.714 33.911 28.526 1.00 22.90 O ATOM 624 N SER B 72 8.869 32.789 30.300 1.00 20.33 N ATOM 625 CA SER B 72 7.780 32.137 29.568 1.00 19.35 C ATOM 626 C SER B 72 6.915 33.105 28.750 1.00 18.21 C ATOM 627 O SER B 72 6.226 33.962 29.308 1.00 21.51 O ATOM 628 CB SER B 72 6.901 31.316 30.528 1.00 17.24 C ATOM 629 OG SER B 72 5.883 30.614 29.815 1.00 25.84 O ATOM 630 N PRO B 73 6.919 32.952 27.415 1.00 14.51 N ATOM 631 CA PRO B 73 6.123 33.835 26.572 1.00 15.12 C ATOM 632 C PRO B 73 4.627 33.588 26.631 1.00 15.12 C ATOM 633 O PRO B 73 3.836 34.483 26.332 1.00 18.64 O ATOM 634 CB PRO B 73 6.695 33.569 25.178 1.00 15.24 C ATOM 635 CG PRO B 73 7.147 32.186 25.250 1.00 14.34 C ATOM 636 CD PRO B 73 7.793 32.104 26.586 1.00 13.73 C ATOM 637 N GLY B 74 4.226 32.405 27.074 1.00 14.13 N ATOM 638 CA GLY B 74 2.807 32.114 27.097 1.00 10.42 C ATOM 639 C GLY B 74 2.314 31.804 25.689 1.00 7.65 C ATOM 640 O GLY B 74 3.101 31.595 24.776 1.00 9.20 O ATOM 641 N ALA B 75 1.008 31.805 25.495 1.00 5.98 N ATOM 642 CA ALA B 75 0.448 31.471 24.204 1.00 8.85 C ATOM 643 C ALA B 75 -0.106 32.637 23.403 1.00 9.53 C ATOM 644 O ALA B 75 -0.457 32.466 22.242 1.00 11.26 O ATOM 645 CB ALA B 75 -0.650 30.443 24.403 1.00 11.83 C ATOM 646 N ASP B 76 -0.192 33.811 24.016 1.00 7.79 N ATOM 647 CA ASP B 76 -0.783 34.961 23.356 1.00 8.77 C ATOM 648 C ASP B 76 0.204 35.906 22.725 1.00 7.91 C ATOM 649 O ASP B 76 1.289 36.102 23.252 1.00 7.14 O ATOM 650 CB ASP B 76 -1.670 35.709 24.337 1.00 12.25 C ATOM 651 CG ASP B 76 -2.711 34.821 24.970 1.00 10.06 C ATOM 652 OD1 ASP B 76 -3.182 33.865 24.331 1.00 15.08 O ATOM 653 OD2 ASP B 76 -3.067 35.083 26.123 1.00 14.76 O ATOM 654 N ARG B 77 -0.213 36.544 21.636 1.00 5.61 N ATOM 655 CA ARG B 77 0.658 37.452 20.906 1.00 13.11 C ATOM 656 C ARG B 77 -0.021 38.678 20.311 1.00 14.21 C ATOM 657 O ARG B 77 -1.200 38.664 19.969 1.00 12.10 O ATOM 658 CB ARG B 77 1.305 36.728 19.718 1.00 17.06 C ATOM 659 CG ARG B 77 2.039 35.451 20.017 1.00 16.12 C ATOM 660 CD ARG B 77 3.382 35.702 20.640 1.00 13.91 C ATOM 661 NE ARG B 77 4.063 34.434 20.816 1.00 16.65 N ATOM 662 CZ ARG B 77 3.992 33.693 21.911 1.00 11.16 C ATOM 663 NH1 ARG B 77 3.274 34.090 22.954 1.00 8.35 N ATOM 664 NH2 ARG B 77 4.623 32.536 21.943 1.00 12.31 N ATOM 665 N VAL B 78 0.772 39.733 20.179 1.00 12.23 N ATOM 666 CA VAL B 78 0.355 40.958 19.536 1.00 10.67 C ATOM 667 C VAL B 78 1.216 40.931 18.269 1.00 8.81 C ATOM 668 O VAL B 78 2.401 40.580 18.317 1.00 10.74 O ATOM 669 CB VAL B 78 0.738 42.232 20.332 1.00 6.77 C ATOM 670 CG1 VAL B 78 0.300 43.458 19.571 1.00 12.92 C ATOM 671 CG2 VAL B 78 0.094 42.230 21.679 1.00 13.62 C ATOM 672 N VAL B 79 0.587 41.187 17.132 1.00 11.54 N ATOM 673 CA VAL B 79 1.291 41.243 15.859 1.00 12.19 C ATOM 674 C VAL B 79 1.157 42.680 15.374 1.00 9.28 C ATOM 675 O VAL B 79 0.041 43.175 15.226 1.00 7.34 O ATOM 676 CB VAL B 79 0.651 40.323 14.791 1.00 8.77 C ATOM 677 CG1 VAL B 79 1.336 40.510 13.459 1.00 8.66 C ATOM 678 CG2 VAL B 79 0.749 38.904 15.207 1.00 7.69 C ATOM 679 N PHE B 80 2.282 43.359 15.182 1.00 9.78 N ATOM 680 CA PHE B 80 2.266 44.730 14.678 1.00 11.52 C ATOM 681 C PHE B 80 3.149 44.818 13.452 1.00 10.59 C ATOM 682 O PHE B 80 3.892 43.883 13.156 1.00 10.50 O ATOM 683 CB PHE B 80 2.713 45.759 15.744 1.00 12.51 C ATOM 684 CG PHE B 80 4.058 45.474 16.366 1.00 11.68 C ATOM 685 CD1 PHE B 80 5.225 45.963 15.791 1.00 14.04 C ATOM 686 CD2 PHE B 80 4.155 44.695 17.516 1.00 11.29 C ATOM 687 CE1 PHE B 80 6.477 45.671 16.347 1.00 12.80 C ATOM 688 CE2 PHE B 80 5.399 44.397 18.082 1.00 15.57 C ATOM 689 CZ PHE B 80 6.558 44.881 17.499 1.00 13.76 C ATOM 690 N ASN B 81 3.054 45.919 12.717 1.00 13.80 N ATOM 691 CA ASN B 81 3.901 46.066 11.559 1.00 14.49 C ATOM 692 C ASN B 81 5.028 47.075 11.734 1.00 16.70 C ATOM 693 O ASN B 81 5.244 47.636 12.826 1.00 14.99 O ATOM 694 CB ASN B 81 3.082 46.305 10.288 1.00 16.53 C ATOM 695 CG ASN B 81 2.671 47.730 10.101 1.00 16.81 C ATOM 696 OD1 ASN B 81 2.714 48.538 11.026 1.00 17.98 O ATOM 697 ND2 ASN B 81 2.265 48.055 8.882 1.00 18.51 N ATOM 698 N GLU B 82 5.783 47.249 10.659 1.00 21.02 N ATOM 699 CA GLU B 82 6.924 48.148 10.619 1.00 23.96 C ATOM 700 C GLU B 82 6.573 49.588 11.013 1.00 23.49 C ATOM 701 O GLU B 82 7.384 50.290 11.620 1.00 24.90 O ATOM 702 CB GLU B 82 7.506 48.128 9.211 1.00 28.66 C ATOM 703 CG GLU B 82 8.836 48.829 9.092 1.00 37.60 C ATOM 704 CD GLU B 82 9.888 48.207 9.983 1.00 40.78 C ATOM 705 OE1 GLU B 82 10.120 46.992 9.844 1.00 41.25 O ATOM 706 OE2 GLU B 82 10.480 48.930 10.817 1.00 47.71 O ATOM 707 N ASN B 83 5.361 50.017 10.672 1.00 22.68 N ATOM 708 CA ASN B 83 4.905 51.363 10.978 1.00 18.41 C ATOM 709 C ASN B 83 4.151 51.456 12.293 1.00 20.55 C ATOM 710 O ASN B 83 3.308 52.335 12.472 1.00 17.59 O ATOM 711 CB ASN B 83 4.039 51.894 9.838 1.00 22.94 C ATOM 712 CG ASN B 83 4.707 51.742 8.490 1.00 25.24 C ATOM 713 OD1 ASN B 83 4.173 51.083 7.593 1.00 29.99 O ATOM 714 ND2 ASN B 83 5.914 52.299 8.354 1.00 28.91 N ATOM 715 N ASN B 84 4.465 50.546 13.215 1.00 21.11 N ATOM 716 CA ASN B 84 3.847 50.504 14.543 1.00 19.70 C ATOM 717 C ASN B 84 2.327 50.476 14.464 1.00 18.41 C ATOM 718 O ASN B 84 1.641 51.113 15.267 1.00 20.32 O ATOM 719 CB ASN B 84 4.309 51.700 15.388 1.00 23.60 C ATOM 720 CG ASN B 84 4.143 51.486 16.892 1.00 25.73 C ATOM 721 OD1 ASN B 84 4.875 52.064 17.680 1.00 35.03 O ATOM 722 ND2 ASN B 84 3.185 50.678 17.292 1.00 32.24 N ATOM 723 N GLN B 85 1.796 49.723 13.514 1.00 15.47 N ATOM 724 CA GLN B 85 0.353 49.598 13.386 1.00 13.27 C ATOM 725 C GLN B 85 -0.083 48.229 13.867 1.00 12.22 C ATOM 726 O GLN B 85 0.594 47.241 13.600 1.00 12.32 O ATOM 727 CB GLN B 85 -0.077 49.780 11.944 1.00 12.59 C ATOM 728 CG GLN B 85 0.236 51.125 11.392 1.00 16.70 C ATOM 729 CD GLN B 85 -0.221 51.242 9.975 1.00 22.22 C ATOM 730 OE1 GLN B 85 0.398 50.676 9.066 1.00 24.70 O ATOM 731 NE2 GLN B 85 -1.346 51.924 9.768 1.00 25.85 N ATOM 732 N LEU B 86 -1.193 48.195 14.603 1.00 12.96 N ATOM 733 CA LEU B 86 -1.763 46.959 15.120 1.00 17.04 C ATOM 734 C LEU B 86 -2.199 46.096 13.923 1.00 17.93 C ATOM 735 O LEU B 86 -2.973 46.550 13.049 1.00 20.20 O ATOM 736 CB LEU B 86 -2.997 47.265 15.982 1.00 12.82 C ATOM 737 CG LEU B 86 -3.475 46.407 17.159 1.00 13.45 C ATOM 738 CD1 LEU B 86 -4.987 46.539 17.317 1.00 9.27 C ATOM 739 CD2 LEU B 86 -3.099 44.958 16.979 1.00 12.03 C ATOM 740 N ALA B 87 -1.657 44.880 13.855 1.00 17.40 N ATOM 741 CA ALA B 87 -2.012 43.928 12.810 1.00 13.57 C ATOM 742 C ALA B 87 -3.069 43.003 13.409 1.00 13.30 C ATOM 743 O ALA B 87 -4.125 42.815 12.822 1.00 14.40 O ATOM 744 CB ALA B 87 -0.797 43.140 12.363 1.00 16.17 C ATOM 745 N GLY B 88 -2.805 42.471 14.603 1.00 10.89 N ATOM 746 CA GLY B 88 -3.770 41.603 15.248 1.00 10.27 C ATOM 747 C GLY B 88 -3.302 41.029 16.560 1.00 8.62 C ATOM 748 O GLY B 88 -2.173 41.271 16.987 1.00 11.44 O ATOM 749 N VAL B 89 -4.208 40.341 17.246 1.00 11.92 N ATOM 750 CA VAL B 89 -3.893 39.674 18.520 1.00 13.15 C ATOM 751 C VAL B 89 -4.220 38.182 18.302 1.00 13.50 C ATOM 752 O VAL B 89 -5.342 37.818 17.906 1.00 15.08 O ATOM 753 CB VAL B 89 -4.707 40.244 19.698 1.00 11.89 C ATOM 754 CG1 VAL B 89 -4.347 39.547 20.994 1.00 12.94 C ATOM 755 CG2 VAL B 89 -4.420 41.709 19.846 1.00 17.78 C ATOM 756 N ILE B 90 -3.220 37.332 18.496 1.00 11.41 N ATOM 757 CA ILE B 90 -3.375 35.907 18.267 1.00 10.62 C ATOM 758 C ILE B 90 -2.927 35.036 19.447 1.00 9.98 C ATOM 759 O ILE B 90 -2.330 35.524 20.419 1.00 13.68 O ATOM 760 CB ILE B 90 -2.636 35.500 16.969 1.00 6.35 C ATOM 761 CG1 ILE B 90 -1.143 35.858 17.062 1.00 8.41 C ATOM 762 CG2 ILE B 90 -3.262 36.190 15.793 1.00 4.76 C ATOM 763 CD1 ILE B 90 -0.324 35.475 15.835 1.00 4.50 C ATOM 764 N THR B 91 -3.227 33.746 19.361 1.00 12.89 N ATOM 765 CA THR B 91 -2.878 32.812 20.431 1.00 11.55 C ATOM 766 C THR B 91 -2.757 31.381 19.922 1.00 14.43 C ATOM 767 O THR B 91 -3.295 31.033 18.870 1.00 13.59 O ATOM 768 CB THR B 91 -3.938 32.845 21.556 1.00 6.44 C ATOM 769 OG1 THR B 91 -3.539 31.995 22.634 1.00 9.03 O ATOM 770 CG2 THR B 91 -5.264 32.384 21.055 1.00 6.88 C ATOM 771 N HIS B 92 -1.997 30.571 20.647 1.00 14.33 N ATOM 772 CA HIS B 92 -1.840 29.173 20.299 1.00 11.82 C ATOM 773 C HIS B 92 -3.086 28.421 20.771 1.00 13.36 C ATOM 774 O HIS B 92 -3.495 27.446 20.165 1.00 15.98 O ATOM 775 CB HIS B 92 -0.630 28.594 21.002 1.00 7.69 C ATOM 776 CG HIS B 92 0.675 29.040 20.432 1.00 5.60 C ATOM 777 ND1 HIS B 92 0.972 28.935 19.095 1.00 12.51 N ATOM 778 CD2 HIS B 92 1.776 29.558 21.028 1.00 8.75 C ATOM 779 CE1 HIS B 92 2.206 29.370 18.881 1.00 11.53 C ATOM 780 NE2 HIS B 92 2.712 29.754 20.037 1.00 10.77 N ATOM 781 N THR B 93 -3.683 28.894 21.861 1.00 16.70 N ATOM 782 CA THR B 93 -4.881 28.282 22.441 1.00 14.17 C ATOM 783 C THR B 93 -5.999 27.965 21.443 1.00 16.02 C ATOM 784 O THR B 93 -6.708 28.851 20.972 1.00 17.33 O ATOM 785 CB THR B 93 -5.444 29.153 23.585 1.00 13.32 C ATOM 786 OG1 THR B 93 -4.418 29.360 24.570 1.00 16.55 O ATOM 787 CG2 THR B 93 -6.643 28.486 24.238 1.00 9.25 C ATOM 788 N GLY B 94 -6.179 26.681 21.162 1.00 20.76 N ATOM 789 CA GLY B 94 -7.213 26.278 20.229 1.00 23.30 C ATOM 790 C GLY B 94 -6.671 25.966 18.858 1.00 24.42 C ATOM 791 O GLY B 94 -7.441 25.675 17.942 1.00 28.99 O ATOM 792 N ALA B 95 -5.352 26.055 18.712 1.00 23.00 N ATOM 793 CA ALA B 95 -4.688 25.776 17.441 1.00 19.94 C ATOM 794 C ALA B 95 -3.841 24.535 17.617 1.00 18.31 C ATOM 795 O ALA B 95 -3.507 24.173 18.742 1.00 21.08 O ATOM 796 CB ALA B 95 -3.814 26.948 17.017 1.00 12.89 C ATOM 797 N SER B 96 -3.496 23.889 16.511 1.00 18.16 N ATOM 798 CA SER B 96 -2.681 22.688 16.554 1.00 16.87 C ATOM 799 C SER B 96 -1.202 23.018 16.495 1.00 17.34 C ATOM 800 O SER B 96 -0.795 23.971 15.825 1.00 19.05 O ATOM 801 CB SER B 96 -3.023 21.798 15.373 1.00 19.34 C ATOM 802 OG SER B 96 -4.378 21.415 15.428 1.00 25.12 O ATOM 803 N GLY B 97 -0.401 22.200 17.165 1.00 18.04 N ATOM 804 CA GLY B 97 1.041 22.395 17.172 1.00 17.86 C ATOM 805 C GLY B 97 1.455 23.802 17.539 1.00 13.90 C ATOM 806 O GLY B 97 1.054 24.324 18.570 1.00 16.09 O ATOM 807 N ASN B 98 2.276 24.411 16.702 1.00 14.56 N ATOM 808 CA ASN B 98 2.715 25.775 16.941 1.00 14.11 C ATOM 809 C ASN B 98 2.005 26.783 16.060 1.00 15.21 C ATOM 810 O ASN B 98 2.549 27.847 15.768 1.00 14.84 O ATOM 811 CB ASN B 98 4.230 25.916 16.804 1.00 15.72 C ATOM 812 CG ASN B 98 4.941 25.812 18.139 1.00 18.23 C ATOM 813 OD1 ASN B 98 6.146 25.570 18.203 1.00 26.57 O ATOM 814 ND2 ASN B 98 4.197 25.996 19.219 1.00 19.03 N ATOM 815 N ASN B 99 0.785 26.454 15.649 1.00 12.67 N ATOM 816 CA ASN B 99 -0.032 27.352 14.839 1.00 10.91 C ATOM 817 C ASN B 99 -0.754 28.319 15.756 1.00 8.94 C ATOM 818 O ASN B 99 -0.780 28.140 16.977 1.00 13.44 O ATOM 819 CB ASN B 99 -1.090 26.577 14.047 1.00 10.76 C ATOM 820 CG ASN B 99 -0.528 25.879 12.820 1.00 13.88 C ATOM 821 OD1 ASN B 99 -1.272 25.562 11.898 1.00 19.75 O ATOM 822 ND2 ASN B 99 0.770 25.616 12.812 1.00 21.45 N ATOM 823 N PHE B 100 -1.403 29.303 15.155 1.00 11.47 N ATOM 824 CA PHE B 100 -2.148 30.305 15.903 1.00 11.35 C ATOM 825 C PHE B 100 -3.511 30.429 15.311 1.00 10.77 C ATOM 826 O PHE B 100 -3.743 29.989 14.175 1.00 13.96 O ATOM 827 CB PHE B 100 -1.529 31.687 15.768 1.00 9.19 C ATOM 828 CG PHE B 100 -0.160 31.802 16.305 1.00 5.29 C ATOM 829 CD1 PHE B 100 0.040 32.091 17.640 1.00 5.52 C ATOM 830 CD2 PHE B 100 0.933 31.715 15.460 1.00 5.24 C ATOM 831 CE1 PHE B 100 1.314 32.305 18.139 1.00 9.28 C ATOM 832 CE2 PHE B 100 2.220 31.926 15.944 1.00 8.60 C ATOM 833 CZ PHE B 100 2.410 32.225 17.286 1.00 7.61 C ATOM 834 N VAL B 101 -4.395 31.036 16.087 1.00 13.31 N ATOM 835 CA VAL B 101 -5.774 31.313 15.693 1.00 15.94 C ATOM 836 C VAL B 101 -5.947 32.743 16.207 1.00 16.30 C ATOM 837 O VAL B 101 -5.201 33.176 17.104 1.00 8.17 O ATOM 838 CB VAL B 101 -6.864 30.359 16.372 1.00 16.56 C ATOM 839 CG1 VAL B 101 -6.784 28.941 15.809 1.00 14.86 C ATOM 840 CG2 VAL B 101 -6.728 30.327 17.903 1.00 17.99 C ATOM 841 N GLU B 102 -6.875 33.486 15.608 1.00 20.42 N ATOM 842 CA GLU B 102 -7.146 34.865 16.015 1.00 24.28 C ATOM 843 C GLU B 102 -7.931 34.951 17.317 1.00 23.69 C ATOM 844 O GLU B 102 -8.738 34.076 17.639 1.00 23.20 O ATOM 845 CB GLU B 102 -7.908 35.624 14.930 1.00 25.27 C ATOM 846 CG GLU B 102 -7.006 36.283 13.889 1.00 35.95 C ATOM 847 CD GLU B 102 -7.775 37.032 12.793 1.00 42.45 C ATOM 848 OE1 GLU B 102 -8.578 36.391 12.068 1.00 43.88 O ATOM 849 OE2 GLU B 102 -7.557 38.261 12.646 1.00 42.03 O ATOM 850 N CYS B 103 -7.623 35.981 18.098 1.00 23.89 N ATOM 851 CA CYS B 103 -8.329 36.205 19.344 1.00 22.17 C ATOM 852 C CYS B 103 -9.565 36.987 18.945 1.00 25.73 C ATOM 853 O CYS B 103 -9.509 37.871 18.079 1.00 29.02 O ATOM 854 CB CYS B 103 -7.487 37.011 20.312 1.00 17.46 C ATOM 855 SG CYS B 103 -6.011 36.127 20.881 1.00 17.20 S ATOM 856 N THR B 104 -10.693 36.636 19.553 1.00 30.79 N ATOM 857 CA THR B 104 -11.978 37.253 19.267 1.00 33.88 C ATOM 858 C THR B 104 -12.313 38.506 20.070 1.00 34.11 C ATOM 859 O THR B 104 -13.376 39.099 19.809 1.00 37.40 O ATOM 860 CB THR B 104 -13.106 36.210 19.431 1.00 36.04 C ATOM 861 OG1 THR B 104 -12.852 35.396 20.591 1.00 37.06 O ATOM 862 CG2 THR B 104 -13.180 35.312 18.186 1.00 36.69 C ATOM 863 OXT THR B 104 -11.523 38.883 20.948 1.00 35.30 O TER 864 THR B 104 CONECT 21 22 23 31 CONECT 22 21 CONECT 23 21 CONECT 24 25 32 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 32 CONECT 31 21 CONECT 32 24 30 CONECT 52 109 CONECT 62 63 64 72 CONECT 63 62 CONECT 64 62 CONECT 65 66 73 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 73 CONECT 72 62 CONECT 73 65 71 CONECT 85 814 CONECT 93 150 CONECT 109 52 CONECT 126 855 CONECT 150 93 CONECT 814 85 CONECT 855 126 MASTER 42 0 0 2 12 0 0 12 1774 5 32 19 END