HEADER GLYCOLYSIS 20-FEB-92 1BAL 1BAL 2 COMPND DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE (E3-BINDING DOMAIN) 1BAL 3 COMPND 2 (E.C.2.3.1.61) CORE FROM THE 2-OXOGLUTARATE DEHYDROGENASE 1BAL 4 COMPND 3 MULTIENZYME COMPLEX OF (ESCHERICHIA COLI) (NMR, 1BAL 5 COMPND 4 56 SIMULATED ANNEALING STRUCTURES) 1BAL 6 SOURCE SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF THE 1BAL 7 SOURCE 2 (ESCHERICHIA COLI) MULTIENZYME 1BAL 8 EXPDTA NMR 1BAL 9 AUTHOR G.M.CLORE,M.A.ROBIEN,A.M.GRONENBORN 1BAL 10 REVDAT 1 31-JAN-94 1BAL 0 1BAL 11 JRNL AUTH M.A.ROBIEN,G.M.CLORE,J.G.OMICHINSKI,R.N.PERHAM, 1BAL 12 JRNL AUTH 2 E.APPELLA,K.SAKAGUCHI,A.M.GRONENBORN 1BAL 13 JRNL TITL THREE-*DIMENSIONAL SOLUTION STRUCTURE OF THE 1BAL 14 JRNL TITL 2 E3-*BINDING DOMAIN OF THE DIHYDROLIPOAMIDE 1BAL 15 JRNL TITL 3 SUCCINYLTRANSFERASE CORE FROM THE 2-*OXOGLUTARATE 1BAL 16 JRNL TITL 4 DEHYDROGENASE MULTIENZYME COMPLEX OF (ESCHERICHIA 1BAL 17 JRNL TITL 5 $COLI) 1BAL 18 JRNL REF BIOCHEMISTRY V. 31 3463 1992 1BAL 19 JRNL REFN ASTM BICHAW US ISSN 0006-2960 033 1BAL 20 REMARK 1 1BAL 21 REMARK 2 1BAL 22 REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 1BAL 23 REMARK 3 1BAL 24 REMARK 3 REFINEMENT. NONE. 1BAL 25 REMARK 3 DETAILS OF THE STRUCTURE DETERMINATION AND ALL STRUCTURAL 1BAL 26 REMARK 3 STATISTICS ARE GIVEN IN THE PAPER CITED ON *JRNL* RECORDS 1BAL 27 REMARK 3 ABOVE. THE STRUCTURES ARE BASED ON 630 INTERPROTON 1BAL 28 REMARK 3 DISTANCE RESTRAINTS DERIVED FROM NOE MEASUREMENTS; AND 46 1BAL 29 REMARK 3 PHI AND 35 PSI BACKBONE TORSION ANGLE RESTRAINTS AND 20 1BAL 30 REMARK 3 CHI1 SIDE CHAIN TORSION ANGLE RESTRAINTS DERIVED FROM 1BAL 31 REMARK 3 COUPLING CONSTANTS AND NOE DATA. THE LATTER ARE OBTAINED 1BAL 32 REMARK 3 USING THE CONFORMATIONAL GRID SEARCH PROGRAM STEREOSEARCH 1BAL 33 REMARK 3 (M.NILGES,G.M.CLORE,A.M.GRONENBORN (1990) BIOPOLYMERS 1BAL 34 REMARK 3 29, 813-822). THE METHOD USED TO DETERMINE THE STRUCTURES 1BAL 35 REMARK 3 IS THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL 1BAL 36 REMARK 3 SIMULATED ANNEALING METHOD (M.NILGES,G.M.CLORE, 1BAL 37 REMARK 3 A.M.GRONENBORN, FEBS LETT. 229, 317-324 (1988)). 1BAL 38 REMARK 4 1BAL 39 REMARK 4 THESE COORDINATES WERE GENERATED FROM SOLUTION NMR DATA. 1BAL 40 REMARK 4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND 1BAL 41 REMARK 4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE 1BAL 42 REMARK 4 RECORDS ARE MEANINGLESS. 1BAL 43 REMARK 5 1BAL 44 REMARK 5 THIS ENTRY CONTAINS THE COORDINATES OF 56 INDIVIDUAL 1BAL 45 REMARK 5 SIMULATED ANNEALING STRUCTURES. THE COORDINATES OF THE 1BAL 46 REMARK 5 (SA)R MINIMIZED AVERAGE STRUCTURE ARE PRESENTED IN PROTEIN 1BAL 47 REMARK 5 DATA BANK ENTRY 1BBL. (SA)R RESTRAINED MINIMIZED MEAN 1BAL 48 REMARK 5 STRUCTURE WAS DERIVED BY AVERAGING THE COORDINATES OF THE 1BAL 49 REMARK 5 INDIVIDUAL SA STRUCTURES BEST FITTED TO RESIDUES 14 - 30 1BAL 50 REMARK 5 AND 39 - 47, AND SUBJECTING THE RESULTING COORDINATES TO 1BAL 51 REMARK 5 RESTRAINED MINIMIZATION. RESIDUES 1 - 11 AND 48 - 51 ARE 1BAL 52 REMARK 5 COMPLETELY DISORDERED AND ARE NOT INCLUDED IN THE 1BAL 53 REMARK 5 COORDINATE SET. 1BAL 54 REMARK 6 1BAL 55 REMARK 6 THE QUANTITY PRESENTED IN COLUMNS 61 - 66 OF ENTRY 1BBL HAS 1BAL 56 REMARK 6 NO MEANING. THE QUANTITY PRESENTED IN COLUMNS 61 - 66 OF 1BAL 57 REMARK 6 THIS ENTRY REPRESENTS THE ATOMIC RMS DEVIATIONS OF THE 56 1BAL 58 REMARK 6 INDIVIDUAL STRUCTURES ABOUT THE MEAN STRUCTURE. 1BAL 59 REMARK 7 1BAL 60 REMARK 7 ALL THE INTERPROTON DISTANCE AND TORSION ANGLE RESTRAINTS 1BAL 61 REMARK 7 ARE PRESENTED IN PROTEIN DATA BANK ENTRY R1BBLMR. 1BAL 62 SEQRES 1 51 TYR ALA SER LEU GLU GLU GLN ASN ASN ASP ALA LEU SER 1BAL 63 SEQRES 2 51 PRO ALA ILE ARG ARG LEU LEU ALA GLU HIS ASN LEU ASP 1BAL 64 SEQRES 3 51 ALA SER ALA ILE LYS GLY THR GLY VAL GLY GLY ARG LEU 1BAL 65 SEQRES 4 51 THR ARG GLU ASP VAL GLU LYS HIS LEU ALA LYS ALA 1BAL 66 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 1BAL 67 ORIGX1 1.000000 0.000000 0.000000 0.00000 1BAL 68 ORIGX2 0.000000 1.000000 0.000000 0.00000 1BAL 69 ORIGX3 0.000000 0.000000 1.000000 0.00000 1BAL 70 SCALE1 1.000000 0.000000 0.000000 0.00000 1BAL 71 SCALE2 0.000000 1.000000 0.000000 0.00000 1BAL 72 SCALE3 0.000000 0.000000 1.000000 0.00000 1BAL 73 MODEL 1 1BAL 74 ATOM 1 N TYR 1 20.399 -2.722 7.205 1.00 12.96 1BAL 75 ATOM 2 CA TYR 1 20.919 -2.136 5.935 1.00 11.65 1BAL 76 ATOM 3 C TYR 1 21.827 -3.153 5.238 1.00 11.45 1BAL 77 ATOM 4 O TYR 1 22.054 -4.235 5.744 1.00 12.40 1BAL 78 ATOM 5 CB TYR 1 21.715 -0.861 6.216 1.00 11.16 1BAL 79 ATOM 6 CG TYR 1 21.777 -0.626 7.727 1.00 12.69 1BAL 80 ATOM 7 CD1 TYR 1 22.583 -1.412 8.525 1.00 13.55 1BAL 81 ATOM 8 CD2 TYR 1 21.027 0.374 8.312 1.00 13.33 1BAL 82 ATOM 9 CE1 TYR 1 22.640 -1.199 9.888 1.00 14.95 1BAL 83 ATOM 10 CE2 TYR 1 21.084 0.585 9.675 1.00 14.79 1BAL 84 ATOM 11 CZ TYR 1 21.891 -0.200 10.473 1.00 15.57 1BAL 85 ATOM 12 OH TYR 1 21.948 0.012 11.836 1.00 17.04 1BAL 86 ATOM 13 1H TYR 1 21.142 -3.296 7.652 1.00 13.44 1BAL 87 ATOM 14 2H TYR 1 20.117 -1.956 7.849 1.00 13.13 1BAL 88 ATOM 15 3H TYR 1 19.575 -3.321 6.998 1.00 13.34 1BAL 89 ATOM 16 HA TYR 1 20.090 -1.902 5.289 1.00 11.41 1BAL 90 ATOM 17 1HB TYR 1 22.717 -0.962 5.829 1.00 10.66 1BAL 91 ATOM 18 2HB TYR 1 21.233 -0.017 5.744 1.00 10.41 1BAL 92 ATOM 19 HD1 TYR 1 23.176 -2.198 8.080 1.00 13.18 1BAL 93 ATOM 20 HD2 TYR 1 20.391 0.996 7.700 1.00 12.76 1BAL 94 ATOM 21 HE1 TYR 1 23.277 -1.821 10.500 1.00 15.62 1BAL 95 ATOM 22 HE2 TYR 1 20.492 1.371 10.120 1.00 15.37 1BAL 96 ATOM 23 HH TYR 1 21.880 -0.841 12.271 1.00 17.86 1BAL 97 ATOM 24 N ALA 2 22.324 -2.784 4.089 1.00 10.42 1BAL 98 ATOM 25 CA ALA 2 23.221 -3.716 3.341 1.00 10.65 1BAL 99 ATOM 26 C ALA 2 24.342 -2.931 2.653 1.00 9.94 1BAL 100 ATOM 27 O ALA 2 25.103 -3.479 1.880 1.00 10.08 1BAL 101 ATOM 28 CB ALA 2 22.401 -4.462 2.290 1.00 10.68 1BAL 102 ATOM 29 H ALA 2 22.111 -1.902 3.719 1.00 9.66 1BAL 103 ATOM 30 HA ALA 2 23.651 -4.426 4.027 1.00 11.58 1BAL 104 ATOM 31 1HB ALA 2 21.922 -3.753 1.631 1.00 9.73 1BAL 105 ATOM 32 2HB ALA 2 23.048 -5.104 1.711 1.00 10.99 1BAL 106 ATOM 33 3HB ALA 2 21.646 -5.063 2.775 1.00 11.49 1BAL 107 ATOM 34 N SER 3 24.419 -1.663 2.950 1.00 9.40 1BAL 108 ATOM 35 CA SER 3 25.483 -0.826 2.323 1.00 9.01 1BAL 109 ATOM 36 C SER 3 25.857 0.335 3.250 1.00 9.58 1BAL 110 ATOM 37 O SER 3 25.692 0.251 4.451 1.00 10.54 1BAL 111 ATOM 38 CB SER 3 24.967 -0.273 0.995 1.00 7.50 1BAL 112 ATOM 39 OG SER 3 23.927 -1.167 0.627 1.00 7.29 1BAL 113 ATOM 40 H SER 3 23.783 -1.263 3.580 1.00 9.43 1BAL 114 ATOM 41 HA SER 3 26.353 -1.433 2.141 1.00 9.57 1BAL 115 ATOM 42 1HB SER 3 24.574 0.724 1.122 1.00 6.89 1BAL 116 ATOM 43 2HB SER 3 25.747 -0.280 0.248 1.00 7.48 1BAL 117 ATOM 44 HG SER 3 23.376 -0.729 -0.024 1.00 6.39 1BAL 118 ATOM 45 N LEU 4 26.351 1.395 2.671 1.00 9.16 1BAL 119 ATOM 46 CA LEU 4 26.742 2.570 3.504 1.00 10.05 1BAL 120 ATOM 47 C LEU 4 25.598 3.589 3.551 1.00 9.41 1BAL 121 ATOM 48 O LEU 4 25.364 4.216 4.566 1.00 10.19 1BAL 122 ATOM 49 CB LEU 4 27.982 3.222 2.898 1.00 10.44 1BAL 123 ATOM 50 CG LEU 4 28.957 2.131 2.451 1.00 10.96 1BAL 124 ATOM 51 CD1 LEU 4 30.271 2.779 2.011 1.00 11.48 1BAL 125 ATOM 52 CD2 LEU 4 29.230 1.188 3.626 1.00 12.33 1BAL 126 ATOM 53 H LEU 4 26.466 1.419 1.698 1.00 8.40 1BAL 127 ATOM 54 HA LEU 4 26.967 2.239 4.505 1.00 11.01 1BAL 128 ATOM 55 1HB LEU 4 27.697 3.824 2.048 1.00 9.51 1BAL 129 ATOM 56 2HB LEU 4 28.457 3.854 3.635 1.00 11.41 1BAL 130 ATOM 57 HG LEU 4 28.531 1.575 1.629 1.00 10.15 1BAL 131 ATOM 58 1HD1 LEU 4 30.063 3.667 1.433 1.00 10.94 1BAL 132 ATOM 59 2HD1 LEU 4 30.854 3.049 2.879 1.00 12.30 1BAL 133 ATOM 60 3HD1 LEU 4 30.835 2.084 1.406 1.00 11.72 1BAL 134 ATOM 61 1HD2 LEU 4 29.302 1.756 4.541 1.00 13.01 1BAL 135 ATOM 62 2HD2 LEU 4 28.425 0.473 3.714 1.00 12.12 1BAL 136 ATOM 63 3HD2 LEU 4 30.157 0.660 3.460 1.00 12.99 1BAL 137 ATOM 64 N GLU 5 24.912 3.733 2.451 1.00 8.08 1BAL 138 ATOM 65 CA GLU 5 23.781 4.708 2.414 1.00 7.46 1BAL 139 ATOM 66 C GLU 5 22.453 3.990 2.676 1.00 6.81 1BAL 140 ATOM 67 O GLU 5 21.514 4.578 3.174 1.00 6.53 1BAL 141 ATOM 68 CB GLU 5 23.739 5.370 1.037 1.00 6.55 1BAL 142 ATOM 69 CG GLU 5 22.796 6.575 1.088 1.00 5.98 1BAL 143 ATOM 70 CD GLU 5 21.958 6.615 -0.193 1.00 4.56 1BAL 144 ATOM 71 OE1 GLU 5 21.072 5.781 -0.285 1.00 3.73 1BAL 145 ATOM 72 OE2 GLU 5 22.252 7.476 -1.005 1.00 4.59 1BAL 146 ATOM 73 H GLU 5 25.136 3.206 1.656 1.00 7.56 1BAL 147 ATOM 74 HA GLU 5 23.934 5.462 3.166 1.00 8.27 1BAL 148 ATOM 75 1HB GLU 5 24.730 5.698 0.762 1.00 7.11 1BAL 149 ATOM 76 2HB GLU 5 23.384 4.662 0.304 1.00 6.06 1BAL 150 ATOM 77 1HG GLU 5 22.139 6.490 1.941 1.00 6.14 1BAL 151 ATOM 78 2HG GLU 5 23.370 7.486 1.167 1.00 6.68 1BAL 152 ATOM 79 N GLU 6 22.404 2.730 2.337 1.00 6.90 1BAL 153 ATOM 80 CA GLU 6 21.146 1.959 2.560 1.00 6.62 1BAL 154 ATOM 81 C GLU 6 20.585 2.249 3.957 1.00 7.45 1BAL 155 ATOM 82 O GLU 6 21.311 2.255 4.931 1.00 8.47 1BAL 156 ATOM 83 CB GLU 6 21.447 0.466 2.431 1.00 7.36 1BAL 157 ATOM 84 CG GLU 6 20.469 -0.159 1.434 1.00 6.75 1BAL 158 ATOM 85 CD GLU 6 20.773 0.368 0.030 1.00 5.79 1BAL 159 ATOM 86 OE1 GLU 6 21.608 1.253 -0.048 1.00 5.49 1BAL 160 ATOM 87 OE2 GLU 6 20.152 -0.146 -0.887 1.00 5.69 1BAL 161 ATOM 88 H GLU 6 23.187 2.296 1.939 1.00 7.38 1BAL 162 ATOM 89 HA GLU 6 20.419 2.240 1.818 1.00 5.48 1BAL 163 ATOM 90 1HB GLU 6 22.459 0.329 2.081 1.00 7.68 1BAL 164 ATOM 91 2HB GLU 6 21.337 -0.010 3.394 1.00 8.18 1BAL 165 ATOM 92 1HG GLU 6 20.574 -1.233 1.443 1.00 7.67 1BAL 166 ATOM 93 2HG GLU 6 19.455 0.102 1.702 1.00 6.33 1BAL 167 ATOM 94 N GLN 7 19.303 2.482 4.022 1.00 7.05 1BAL 168 ATOM 95 CA GLN 7 18.677 2.772 5.346 1.00 7.86 1BAL 169 ATOM 96 C GLN 7 18.083 1.489 5.943 1.00 8.70 1BAL 170 ATOM 97 O GLN 7 18.264 0.413 5.410 1.00 9.06 1BAL 171 ATOM 98 CB GLN 7 17.571 3.812 5.158 1.00 7.10 1BAL 172 ATOM 99 CG GLN 7 16.930 3.619 3.782 1.00 5.68 1BAL 173 ATOM 100 CD GLN 7 16.536 2.151 3.608 1.00 6.30 1BAL 174 ATOM 101 OE1 GLN 7 17.296 1.349 3.103 1.00 6.79 1BAL 175 ATOM 102 NE2 GLN 7 15.360 1.758 4.012 1.00 6.72 1BAL 176 ATOM 103 H GLN 7 18.756 2.465 3.210 1.00 6.29 1BAL 177 ATOM 104 HA GLN 7 19.424 3.164 6.015 1.00 8.51 1BAL 178 ATOM 105 1HB GLN 7 16.824 3.691 5.927 1.00 7.71 1BAL 179 ATOM 106 2HB GLN 7 17.992 4.804 5.226 1.00 7.22 1BAL 180 ATOM 107 1HG GLN 7 16.047 4.236 3.701 1.00 5.02 1BAL 181 ATOM 108 2HG GLN 7 17.631 3.895 3.009 1.00 5.18 1BAL 182 ATOM 109 1HE2 GLN 7 15.093 0.821 3.908 1.00 7.35 1BAL 183 ATOM 110 2HE2 GLN 7 14.743 2.401 4.421 1.00 6.65 1BAL 184 ATOM 111 N ASN 8 17.387 1.633 7.039 1.00 9.14 1BAL 185 ATOM 112 CA ASN 8 16.779 0.431 7.683 1.00 9.99 1BAL 186 ATOM 113 C ASN 8 15.487 0.032 6.959 1.00 9.20 1BAL 187 ATOM 114 O ASN 8 15.483 -0.181 5.763 1.00 8.55 1BAL 188 ATOM 115 CB ASN 8 16.467 0.752 9.144 1.00 10.92 1BAL 189 ATOM 116 CG ASN 8 15.474 1.914 9.205 1.00 10.15 1BAL 190 ATOM 117 OD1 ASN 8 15.074 2.348 10.268 1.00 10.81 1BAL 191 ATOM 118 ND2 ASN 8 15.052 2.447 8.091 1.00 8.86 1BAL 192 ATOM 119 H ASN 8 17.266 2.521 7.434 1.00 8.99 1BAL 193 ATOM 120 HA ASN 8 17.478 -0.387 7.642 1.00 10.65 1BAL 194 ATOM 121 1HB ASN 8 16.033 -0.113 9.624 1.00 11.61 1BAL 195 ATOM 122 2HB ASN 8 17.374 1.030 9.660 1.00 11.63 1BAL 196 ATOM 123 1HD2 ASN 8 14.417 3.192 8.114 1.00 8.46 1BAL 197 ATOM 124 2HD2 ASN 8 15.373 2.102 7.232 1.00 8.38 1BAL 198 ATOM 125 N ASN 9 14.418 -0.058 7.704 1.00 9.40 1BAL 199 ATOM 126 CA ASN 9 13.117 -0.447 7.081 1.00 8.73 1BAL 200 ATOM 127 C ASN 9 12.879 0.356 5.795 1.00 7.38 1BAL 201 ATOM 128 O ASN 9 13.385 1.450 5.641 1.00 6.78 1BAL 202 ATOM 129 CB ASN 9 11.990 -0.171 8.074 1.00 9.02 1BAL 203 ATOM 130 CG ASN 9 12.248 -0.962 9.360 1.00 10.53 1BAL 204 ATOM 131 OD1 ASN 9 13.028 -1.894 9.383 1.00 11.32 1BAL 205 ATOM 132 ND2 ASN 9 11.617 -0.622 10.451 1.00 11.05 1BAL 206 ATOM 133 H ASN 9 14.469 0.127 8.664 1.00 10.05 1BAL 207 ATOM 134 HA ASN 9 13.134 -1.497 6.846 1.00 9.19 1BAL 208 ATOM 135 1HB ASN 9 11.953 0.884 8.304 1.00 8.63 1BAL 209 ATOM 136 2HB ASN 9 11.045 -0.477 7.651 1.00 8.73 1BAL 210 ATOM 137 1HD2 ASN 9 11.773 -1.118 11.281 1.00 12.02 1BAL 211 ATOM 138 2HD2 ASN 9 10.988 0.130 10.439 1.00 10.54 1BAL 212 ATOM 139 N ASP 10 12.109 -0.212 4.901 1.00 7.20 1BAL 213 ATOM 140 CA ASP 10 11.824 0.496 3.614 1.00 6.12 1BAL 214 ATOM 141 C ASP 10 10.432 1.143 3.659 1.00 5.26 1BAL 215 ATOM 142 O ASP 10 10.190 2.044 4.438 1.00 4.94 1BAL 216 ATOM 143 CB ASP 10 11.882 -0.515 2.468 1.00 6.70 1BAL 217 ATOM 144 CG ASP 10 13.267 -1.164 2.437 1.00 7.97 1BAL 218 ATOM 145 OD1 ASP 10 13.566 -1.848 3.403 1.00 8.91 1BAL 219 ATOM 146 OD2 ASP 10 13.948 -0.939 1.451 1.00 8.06 1BAL 220 ATOM 147 H ASP 10 11.722 -1.096 5.074 1.00 7.95 1BAL 221 ATOM 148 HA ASP 10 12.565 1.258 3.452 1.00 5.86 1BAL 222 ATOM 149 1HB ASP 10 11.134 -1.280 2.615 1.00 7.10 1BAL 223 ATOM 150 2HB ASP 10 11.703 -0.014 1.530 1.00 6.10 1BAL 224 ATOM 151 N ALA 11 9.546 0.670 2.822 1.00 5.08 1BAL 225 ATOM 152 CA ALA 11 8.171 1.252 2.805 1.00 4.27 1BAL 226 ATOM 153 C ALA 11 7.214 0.341 2.025 1.00 4.02 1BAL 227 ATOM 154 O ALA 11 7.160 -0.850 2.256 1.00 4.33 1BAL 228 ATOM 155 CB ALA 11 8.221 2.624 2.136 1.00 3.42 1BAL 229 ATOM 156 H ALA 11 9.781 -0.058 2.212 1.00 5.57 1BAL 230 ATOM 157 HA ALA 11 7.817 1.362 3.814 1.00 4.55 1BAL 231 ATOM 158 1HB ALA 11 8.951 3.245 2.632 1.00 3.72 1BAL 232 ATOM 159 2HB ALA 11 8.495 2.514 1.096 1.00 3.27 1BAL 233 ATOM 160 3HB ALA 11 7.252 3.096 2.200 1.00 3.08 1BAL 234 ATOM 161 N LEU 12 6.480 0.927 1.118 1.00 3.50 1BAL 235 ATOM 162 CA LEU 12 5.516 0.117 0.313 1.00 3.22 1BAL 236 ATOM 163 C LEU 12 6.192 -0.402 -0.964 1.00 2.61 1BAL 237 ATOM 164 O LEU 12 7.402 -0.422 -1.063 1.00 2.76 1BAL 238 ATOM 165 CB LEU 12 4.323 0.996 -0.062 1.00 3.01 1BAL 239 ATOM 166 CG LEU 12 3.576 1.399 1.212 1.00 3.80 1BAL 240 ATOM 167 CD1 LEU 12 2.967 2.790 1.020 1.00 3.72 1BAL 241 ATOM 168 CD2 LEU 12 2.455 0.393 1.481 1.00 4.11 1BAL 242 ATOM 169 H LEU 12 6.561 1.892 0.965 1.00 3.32 1BAL 243 ATOM 170 HA LEU 12 5.173 -0.717 0.901 1.00 3.69 1BAL 244 ATOM 171 1HB LEU 12 4.671 1.880 -0.575 1.00 2.65 1BAL 245 ATOM 172 2HB LEU 12 3.658 0.447 -0.713 1.00 2.78 1BAL 246 ATOM 173 HG LEU 12 4.261 1.414 2.047 1.00 4.31 1BAL 247 ATOM 174 1HD1 LEU 12 2.622 2.899 0.003 1.00 2.98 1BAL 248 ATOM 175 2HD1 LEU 12 2.131 2.918 1.694 1.00 4.50 1BAL 249 ATOM 176 3HD1 LEU 12 3.710 3.546 1.228 1.00 3.96 1BAL 250 ATOM 177 1HD2 LEU 12 2.782 -0.599 1.207 1.00 4.72 1BAL 251 ATOM 178 2HD2 LEU 12 2.198 0.406 2.530 1.00 4.60 1BAL 252 ATOM 179 3HD2 LEU 12 1.585 0.654 0.898 1.00 3.45 1BAL 253 ATOM 180 N SER 13 5.388 -0.814 -1.912 1.00 2.03 1BAL 254 ATOM 181 CA SER 13 5.962 -1.335 -3.190 1.00 1.70 1BAL 255 ATOM 182 C SER 13 5.087 -0.882 -4.380 1.00 0.95 1BAL 256 ATOM 183 O SER 13 3.968 -0.450 -4.195 1.00 0.74 1BAL 257 ATOM 184 CB SER 13 5.995 -2.862 -3.124 1.00 2.45 1BAL 258 ATOM 185 OG SER 13 5.351 -3.170 -1.897 1.00 1.73 1BAL 259 ATOM 186 H SER 13 4.418 -0.781 -1.786 1.00 1.94 1BAL 260 ATOM 187 HA SER 13 6.957 -0.959 -3.304 1.00 1.64 1BAL 261 ATOM 188 1HB SER 13 5.450 -3.294 -3.952 1.00 3.10 1BAL 262 ATOM 189 2HB SER 13 7.013 -3.223 -3.112 1.00 3.29 1BAL 263 ATOM 190 HG SER 13 5.758 -3.961 -1.538 1.00 2.51 1BAL 264 ATOM 191 N PRO 14 5.622 -0.992 -5.588 1.00 0.88 1BAL 265 ATOM 192 CA PRO 14 4.877 -0.593 -6.793 1.00 0.63 1BAL 266 ATOM 193 C PRO 14 3.568 -1.388 -6.922 1.00 0.72 1BAL 267 ATOM 194 O PRO 14 2.542 -0.844 -7.280 1.00 1.10 1BAL 268 ATOM 195 CB PRO 14 5.808 -0.913 -7.969 1.00 1.25 1BAL 269 ATOM 196 CG PRO 14 7.108 -1.541 -7.379 1.00 1.62 1BAL 270 ATOM 197 CD PRO 14 6.978 -1.514 -5.844 1.00 1.48 1BAL 271 ATOM 198 HA PRO 14 4.674 0.461 -6.772 1.00 0.35 1BAL 272 ATOM 199 1HB PRO 14 5.331 -1.613 -8.637 1.00 1.56 1BAL 273 ATOM 200 2HB PRO 14 6.047 -0.007 -8.507 1.00 1.25 1BAL 274 ATOM 201 1HG PRO 14 7.213 -2.559 -7.722 1.00 2.01 1BAL 275 ATOM 202 2HG PRO 14 7.968 -0.965 -7.687 1.00 1.75 1BAL 276 ATOM 203 1HD PRO 14 7.084 -2.506 -5.440 1.00 1.81 1BAL 277 ATOM 204 2HD PRO 14 7.722 -0.854 -5.425 1.00 1.59 1BAL 278 ATOM 205 N ALA 15 3.635 -2.656 -6.623 1.00 1.00 1BAL 279 ATOM 206 CA ALA 15 2.410 -3.506 -6.729 1.00 1.03 1BAL 280 ATOM 207 C ALA 15 1.247 -2.881 -5.947 1.00 0.62 1BAL 281 ATOM 208 O ALA 15 0.102 -3.233 -6.149 1.00 0.84 1BAL 282 ATOM 209 CB ALA 15 2.717 -4.891 -6.162 1.00 1.29 1BAL 283 ATOM 210 H ALA 15 4.484 -3.049 -6.329 1.00 1.44 1BAL 284 ATOM 211 HA ALA 15 2.133 -3.601 -7.765 1.00 1.24 1BAL 285 ATOM 212 1HB ALA 15 3.784 -5.008 -6.043 1.00 1.25 1BAL 286 ATOM 213 2HB ALA 15 2.237 -5.007 -5.201 1.00 1.19 1BAL 287 ATOM 214 3HB ALA 15 2.350 -5.650 -6.836 1.00 2.26 1BAL 288 ATOM 215 N ILE 16 1.565 -1.967 -5.072 1.00 0.18 1BAL 289 ATOM 216 CA ILE 16 0.486 -1.315 -4.269 1.00 0.32 1BAL 290 ATOM 217 C ILE 16 -0.647 -0.831 -5.183 1.00 0.64 1BAL 291 ATOM 218 O ILE 16 -1.779 -0.704 -4.758 1.00 0.93 1BAL 292 ATOM 219 CB ILE 16 1.075 -0.125 -3.510 1.00 0.71 1BAL 293 ATOM 220 CG1 ILE 16 0.032 0.407 -2.525 1.00 0.99 1BAL 294 ATOM 221 CG2 ILE 16 1.442 0.977 -4.504 1.00 0.79 1BAL 295 ATOM 222 CD1 ILE 16 0.608 1.616 -1.783 1.00 1.40 1BAL 296 ATOM 223 H ILE 16 2.502 -1.710 -4.943 1.00 0.39 1BAL 297 ATOM 224 HA ILE 16 0.091 -2.026 -3.561 1.00 0.37 1BAL 298 ATOM 225 HB ILE 16 1.959 -0.435 -2.974 1.00 0.84 1BAL 299 ATOM 226 1HG1 ILE 16 -0.857 0.703 -3.062 1.00 1.03 1BAL 300 ATOM 227 2HG1 ILE 16 -0.225 -0.365 -1.815 1.00 0.93 1BAL 301 ATOM 228 1HG2 ILE 16 1.874 0.537 -5.392 1.00 1.02 1BAL 302 ATOM 229 2HG2 ILE 16 0.555 1.530 -4.778 1.00 0.72 1BAL 303 ATOM 230 3HG2 ILE 16 2.157 1.650 -4.056 1.00 1.68 1BAL 304 ATOM 231 1HD1 ILE 16 1.657 1.453 -1.580 1.00 2.41 1BAL 305 ATOM 232 2HD1 ILE 16 0.497 2.503 -2.389 1.00 0.92 1BAL 306 ATOM 233 3HD1 ILE 16 0.083 1.755 -0.850 1.00 1.84 1BAL 307 ATOM 234 N ARG 17 -0.320 -0.570 -6.420 1.00 0.76 1BAL 308 ATOM 235 CA ARG 17 -1.369 -0.095 -7.370 1.00 1.27 1BAL 309 ATOM 236 C ARG 17 -2.141 -1.288 -7.944 1.00 1.43 1BAL 310 ATOM 237 O ARG 17 -3.351 -1.350 -7.849 1.00 1.71 1BAL 311 ATOM 238 CB ARG 17 -0.700 0.675 -8.511 1.00 1.51 1BAL 312 ATOM 239 CG ARG 17 -0.465 2.126 -8.077 1.00 1.68 1BAL 313 ATOM 240 CD ARG 17 -1.631 2.989 -8.563 1.00 2.93 1BAL 314 ATOM 241 NE ARG 17 -1.463 4.371 -8.036 1.00 3.69 1BAL 315 ATOM 242 CZ ARG 17 -2.326 4.837 -7.176 1.00 4.96 1BAL 316 ATOM 243 NH1 ARG 17 -2.009 4.855 -5.911 1.00 5.91 1BAL 317 ATOM 244 NH2 ARG 17 -3.479 5.270 -7.610 1.00 5.62 1BAL 318 ATOM 245 H ARG 17 0.604 -0.687 -6.722 1.00 0.59 1BAL 319 ATOM 246 HA ARG 17 -2.054 0.556 -6.853 1.00 1.44 1BAL 320 ATOM 247 1HB ARG 17 0.245 0.212 -8.755 1.00 1.49 1BAL 321 ATOM 248 2HB ARG 17 -1.337 0.656 -9.384 1.00 1.59 1BAL 322 ATOM 249 1HG ARG 17 -0.395 2.179 -7.002 1.00 1.73 1BAL 323 ATOM 250 2HG ARG 17 0.457 2.487 -8.509 1.00 1.55 1BAL 324 ATOM 251 1HD ARG 17 -1.643 3.016 -9.643 1.00 2.88 1BAL 325 ATOM 252 2HD ARG 17 -2.565 2.580 -8.205 1.00 3.75 1BAL 326 ATOM 253 HE ARG 17 -0.712 4.926 -8.333 1.00 3.48 1BAL 327 ATOM 254 1HH1 ARG 17 -1.116 4.515 -5.614 1.00 5.72 1BAL 328 ATOM 255 2HH1 ARG 17 -2.657 5.208 -5.237 1.00 7.03 1BAL 329 ATOM 256 1HH2 ARG 17 -3.687 5.240 -8.588 1.00 5.34 1BAL 330 ATOM 257 2HH2 ARG 17 -4.152 5.630 -6.965 1.00 6.64 1BAL 331 ATOM 258 N ARG 18 -1.424 -2.207 -8.527 1.00 1.43 1BAL 332 ATOM 259 CA ARG 18 -2.100 -3.401 -9.111 1.00 1.72 1BAL 333 ATOM 260 C ARG 18 -2.657 -4.291 -7.995 1.00 1.44 1BAL 334 ATOM 261 O ARG 18 -3.384 -5.231 -8.250 1.00 1.75 1BAL 335 ATOM 262 CB ARG 18 -1.088 -4.192 -9.941 1.00 2.00 1BAL 336 ATOM 263 CG ARG 18 -1.053 -3.627 -11.364 1.00 2.52 1BAL 337 ATOM 264 CD ARG 18 -2.111 -4.335 -12.213 1.00 3.82 1BAL 338 ATOM 265 NE ARG 18 -2.376 -3.525 -13.436 1.00 5.03 1BAL 339 ATOM 266 CZ ARG 18 -1.432 -3.378 -14.324 1.00 5.12 1BAL 340 ATOM 267 NH1 ARG 18 -0.773 -4.432 -14.725 1.00 4.50 1BAL 341 ATOM 268 NH2 ARG 18 -1.178 -2.183 -14.783 1.00 6.01 1BAL 342 ATOM 269 H ARG 18 -0.450 -2.114 -8.580 1.00 1.39 1BAL 343 ATOM 270 HA ARG 18 -2.907 -3.079 -9.747 1.00 2.00 1BAL 344 ATOM 271 1HB ARG 18 -0.108 -4.107 -9.494 1.00 2.05 1BAL 345 ATOM 272 2HB ARG 18 -1.376 -5.232 -9.970 1.00 1.89 1BAL 346 ATOM 273 1HG ARG 18 -1.258 -2.566 -11.339 1.00 2.74 1BAL 347 ATOM 274 2HG ARG 18 -0.076 -3.787 -11.794 1.00 2.17 1BAL 348 ATOM 275 1HD ARG 18 -1.756 -5.313 -12.503 1.00 3.41 1BAL 349 ATOM 276 2HD ARG 18 -3.026 -4.441 -11.649 1.00 4.61 1BAL 350 ATOM 277 HE ARG 18 -3.252 -3.105 -13.570 1.00 5.85 1BAL 351 ATOM 278 1HH1 ARG 18 -0.996 -5.332 -14.351 1.00 4.01 1BAL 352 ATOM 279 2HH1 ARG 18 -0.046 -4.338 -15.404 1.00 4.68 1BAL 353 ATOM 280 1HH2 ARG 18 -1.703 -1.398 -14.453 1.00 6.54 1BAL 354 ATOM 281 2HH2 ARG 18 -0.458 -2.051 -15.464 1.00 6.25 1BAL 355 ATOM 282 N LEU 19 -2.303 -3.974 -6.779 1.00 0.87 1BAL 356 ATOM 283 CA LEU 19 -2.800 -4.789 -5.633 1.00 0.58 1BAL 357 ATOM 284 C LEU 19 -4.330 -4.896 -5.684 1.00 0.50 1BAL 358 ATOM 285 O LEU 19 -4.901 -5.872 -5.236 1.00 0.41 1BAL 359 ATOM 286 CB LEU 19 -2.375 -4.118 -4.324 1.00 0.32 1BAL 360 ATOM 287 CG LEU 19 -2.613 -5.085 -3.159 1.00 0.22 1BAL 361 ATOM 288 CD1 LEU 19 -1.331 -5.876 -2.890 1.00 0.48 1BAL 362 ATOM 289 CD2 LEU 19 -2.983 -4.283 -1.909 1.00 0.18 1BAL 363 ATOM 290 H LEU 19 -1.715 -3.206 -6.622 1.00 0.68 1BAL 364 ATOM 291 HA LEU 19 -2.371 -5.775 -5.682 1.00 0.67 1BAL 365 ATOM 292 1HB LEU 19 -1.326 -3.863 -4.373 1.00 0.35 1BAL 366 ATOM 293 2HB LEU 19 -2.951 -3.218 -4.172 1.00 0.31 1BAL 367 ATOM 294 HG LEU 19 -3.415 -5.764 -3.406 1.00 0.25 1BAL 368 ATOM 295 1HD1 LEU 19 -1.006 -6.361 -3.798 1.00 1.69 1BAL 369 ATOM 296 2HD1 LEU 19 -0.556 -5.208 -2.547 1.00 1.19 1BAL 370 ATOM 297 3HD1 LEU 19 -1.517 -6.624 -2.134 1.00 0.85 1BAL 371 ATOM 298 1HD2 LEU 19 -2.272 -3.482 -1.766 1.00 1.00 1BAL 372 ATOM 299 2HD2 LEU 19 -3.972 -3.865 -2.023 1.00 0.75 1BAL 373 ATOM 300 3HD2 LEU 19 -2.967 -4.930 -1.043 1.00 1.14 1BAL 374 ATOM 301 N LEU 20 -4.960 -3.892 -6.230 1.00 0.59 1BAL 375 ATOM 302 CA LEU 20 -6.450 -3.922 -6.316 1.00 0.64 1BAL 376 ATOM 303 C LEU 20 -6.904 -5.028 -7.277 1.00 0.73 1BAL 377 ATOM 304 O LEU 20 -7.947 -5.623 -7.093 1.00 0.82 1BAL 378 ATOM 305 CB LEU 20 -6.950 -2.570 -6.823 1.00 0.72 1BAL 379 ATOM 306 CG LEU 20 -7.099 -1.613 -5.639 1.00 0.90 1BAL 380 ATOM 307 CD1 LEU 20 -6.877 -0.178 -6.121 1.00 1.01 1BAL 381 ATOM 308 CD2 LEU 20 -8.511 -1.738 -5.064 1.00 0.93 1BAL 382 ATOM 309 H LEU 20 -4.459 -3.125 -6.579 1.00 0.67 1BAL 383 ATOM 310 HA LEU 20 -6.860 -4.109 -5.339 1.00 0.61 1BAL 384 ATOM 311 1HB LEU 20 -6.243 -2.164 -7.532 1.00 0.77 1BAL 385 ATOM 312 2HB LEU 20 -7.906 -2.696 -7.310 1.00 0.63 1BAL 386 ATOM 313 HG LEU 20 -6.372 -1.859 -4.878 1.00 0.95 1BAL 387 ATOM 314 1HD1 LEU 20 -7.333 -0.045 -7.091 1.00 1.42 1BAL 388 ATOM 315 2HD1 LEU 20 -7.320 0.514 -5.421 1.00 1.75 1BAL 389 ATOM 316 3HD1 LEU 20 -5.818 0.021 -6.196 1.00 0.42 1BAL 390 ATOM 317 1HD2 LEU 20 -8.692 -2.758 -4.757 1.00 1.18 1BAL 391 ATOM 318 2HD2 LEU 20 -8.616 -1.086 -4.209 1.00 1.41 1BAL 392 ATOM 319 3HD2 LEU 20 -9.236 -1.460 -5.815 1.00 1.55 1BAL 393 ATOM 320 N ALA 21 -6.110 -5.279 -8.284 1.00 0.76 1BAL 394 ATOM 321 CA ALA 21 -6.484 -6.342 -9.264 1.00 0.86 1BAL 395 ATOM 322 C ALA 21 -6.033 -7.715 -8.752 1.00 0.68 1BAL 396 ATOM 323 O ALA 21 -6.710 -8.706 -8.945 1.00 1.05 1BAL 397 ATOM 324 CB ALA 21 -5.809 -6.049 -10.603 1.00 1.07 1BAL 398 ATOM 325 H ALA 21 -5.278 -4.774 -8.395 1.00 0.75 1BAL 399 ATOM 326 HA ALA 21 -7.552 -6.344 -9.397 1.00 0.98 1BAL 400 ATOM 327 1HB ALA 21 -4.991 -5.359 -10.457 1.00 1.07 1BAL 401 ATOM 328 2HB ALA 21 -5.429 -6.967 -11.028 1.00 1.15 1BAL 402 ATOM 329 3HB ALA 21 -6.525 -5.612 -11.284 1.00 2.07 1BAL 403 ATOM 330 N GLU 22 -4.897 -7.743 -8.111 1.00 0.38 1BAL 404 ATOM 331 CA GLU 22 -4.385 -9.041 -7.580 1.00 0.42 1BAL 405 ATOM 332 C GLU 22 -5.472 -9.747 -6.760 1.00 0.32 1BAL 406 ATOM 333 O GLU 22 -5.637 -10.947 -6.846 1.00 0.44 1BAL 407 ATOM 334 CB GLU 22 -3.172 -8.773 -6.692 1.00 0.59 1BAL 408 ATOM 335 CG GLU 22 -2.244 -9.989 -6.725 1.00 1.08 1BAL 409 ATOM 336 CD GLU 22 -3.022 -11.233 -6.291 1.00 1.17 1BAL 410 ATOM 337 OE1 GLU 22 -3.256 -11.335 -5.097 1.00 1.86 1BAL 411 ATOM 338 OE2 GLU 22 -3.340 -12.010 -7.176 1.00 2.40 1BAL 412 ATOM 339 H GLU 22 -4.384 -6.919 -7.979 1.00 0.55 1BAL 413 ATOM 340 HA GLU 22 -4.091 -9.672 -8.401 1.00 0.50 1BAL 414 ATOM 341 1HB GLU 22 -2.642 -7.903 -7.053 1.00 0.89 1BAL 415 ATOM 342 2HB GLU 22 -3.498 -8.593 -5.678 1.00 0.25 1BAL 416 ATOM 343 1HG GLU 22 -1.868 -10.136 -7.728 1.00 2.55 1BAL 417 ATOM 344 2HG GLU 22 -1.414 -9.835 -6.052 1.00 2.13 1BAL 418 ATOM 345 N HIS 23 -6.190 -8.984 -5.981 1.00 0.22 1BAL 419 ATOM 346 CA HIS 23 -7.268 -9.595 -5.146 1.00 0.36 1BAL 420 ATOM 347 C HIS 23 -8.622 -9.477 -5.854 1.00 0.52 1BAL 421 ATOM 348 O HIS 23 -9.635 -9.896 -5.331 1.00 0.65 1BAL 422 ATOM 349 CB HIS 23 -7.331 -8.869 -3.804 1.00 0.22 1BAL 423 ATOM 350 CG HIS 23 -5.948 -8.896 -3.152 1.00 0.26 1BAL 424 ATOM 351 ND1 HIS 23 -5.287 -9.934 -2.909 1.00 0.39 1BAL 425 ATOM 352 CD2 HIS 23 -5.158 -7.850 -2.711 1.00 0.28 1BAL 426 ATOM 353 CE1 HIS 23 -4.173 -9.656 -2.366 1.00 0.46 1BAL 427 ATOM 354 NE2 HIS 23 -4.005 -8.347 -2.199 1.00 0.42 1BAL 428 ATOM 355 H HIS 23 -6.024 -8.019 -5.944 1.00 0.18 1BAL 429 ATOM 356 HA HIS 23 -7.042 -10.634 -4.978 1.00 0.59 1BAL 430 ATOM 357 1HB HIS 23 -7.633 -7.844 -3.955 1.00 0.13 1BAL 431 ATOM 358 2HB HIS 23 -8.040 -9.361 -3.155 1.00 0.25 1BAL 432 ATOM 359 HD1 HIS 23 -5.592 -10.843 -3.114 1.00 0.47 1BAL 433 ATOM 360 HD2 HIS 23 -5.420 -6.804 -2.765 1.00 0.26 1BAL 434 ATOM 361 HE1 HIS 23 -3.445 -10.398 -2.073 1.00 0.57 1BAL 435 ATOM 362 N ASN 24 -8.608 -8.911 -7.029 1.00 0.62 1BAL 436 ATOM 363 CA ASN 24 -9.888 -8.759 -7.783 1.00 0.93 1BAL 437 ATOM 364 C ASN 24 -10.859 -7.866 -7.001 1.00 0.78 1BAL 438 ATOM 365 O ASN 24 -12.043 -8.133 -6.950 1.00 0.72 1BAL 439 ATOM 366 CB ASN 24 -10.513 -10.140 -7.989 1.00 1.18 1BAL 440 ATOM 367 CG ASN 24 -11.236 -10.173 -9.337 1.00 1.21 1BAL 441 ATOM 368 OD1 ASN 24 -12.438 -10.334 -9.406 1.00 2.01 1BAL 442 ATOM 369 ND2 ASN 24 -10.541 -10.027 -10.431 1.00 1.09 1BAL 443 ATOM 370 H ASN 24 -7.767 -8.588 -7.414 1.00 0.55 1BAL 444 ATOM 371 HA ASN 24 -9.687 -8.313 -8.742 1.00 1.17 1BAL 445 ATOM 372 1HB ASN 24 -9.741 -10.895 -7.979 1.00 1.46 1BAL 446 ATOM 373 2HB ASN 24 -11.221 -10.343 -7.199 1.00 1.67 1BAL 447 ATOM 374 1HD2 ASN 24 -10.989 -10.046 -11.302 1.00 1.44 1BAL 448 ATOM 375 2HD2 ASN 24 -9.571 -9.898 -10.383 1.00 1.27 1BAL 449 ATOM 376 N LEU 25 -10.327 -6.823 -6.412 1.00 0.82 1BAL 450 ATOM 377 CA LEU 25 -11.192 -5.887 -5.623 1.00 0.69 1BAL 451 ATOM 378 C LEU 25 -11.163 -4.489 -6.249 1.00 0.81 1BAL 452 ATOM 379 O LEU 25 -10.122 -4.006 -6.650 1.00 1.02 1BAL 453 ATOM 380 CB LEU 25 -10.667 -5.813 -4.188 1.00 0.73 1BAL 454 ATOM 381 CG LEU 25 -10.610 -7.227 -3.596 1.00 1.00 1BAL 455 ATOM 382 CD1 LEU 25 -10.043 -7.153 -2.177 1.00 0.77 1BAL 456 ATOM 383 CD2 LEU 25 -12.023 -7.816 -3.540 1.00 1.73 1BAL 457 ATOM 384 H LEU 25 -9.366 -6.653 -6.490 1.00 0.97 1BAL 458 ATOM 385 HA LEU 25 -12.204 -6.249 -5.613 1.00 0.57 1BAL 459 ATOM 386 1HB LEU 25 -9.677 -5.383 -4.187 1.00 0.46 1BAL 460 ATOM 387 2HB LEU 25 -11.321 -5.193 -3.592 1.00 0.92 1BAL 461 ATOM 388 HG LEU 25 -9.979 -7.853 -4.208 1.00 1.14 1BAL 462 ATOM 389 1HD1 LEU 25 -9.109 -6.612 -2.186 1.00 0.63 1BAL 463 ATOM 390 2HD1 LEU 25 -10.742 -6.644 -1.531 1.00 1.25 1BAL 464 ATOM 391 3HD1 LEU 25 -9.872 -8.151 -1.800 1.00 1.82 1BAL 465 ATOM 392 1HD2 LEU 25 -12.742 -7.031 -3.360 1.00 1.31 1BAL 466 ATOM 393 2HD2 LEU 25 -12.253 -8.300 -4.477 1.00 2.82 1BAL 467 ATOM 394 3HD2 LEU 25 -12.083 -8.542 -2.742 1.00 2.08 1BAL 468 ATOM 395 N ASP 26 -12.309 -3.868 -6.318 1.00 0.76 1BAL 469 ATOM 396 CA ASP 26 -12.368 -2.503 -6.916 1.00 0.98 1BAL 470 ATOM 397 C ASP 26 -12.238 -1.439 -5.823 1.00 0.87 1BAL 471 ATOM 398 O ASP 26 -12.769 -1.589 -4.740 1.00 1.06 1BAL 472 ATOM 399 CB ASP 26 -13.704 -2.331 -7.635 1.00 1.20 1BAL 473 ATOM 400 CG ASP 26 -13.659 -3.080 -8.969 1.00 1.94 1BAL 474 ATOM 401 OD1 ASP 26 -13.853 -4.283 -8.922 1.00 2.11 1BAL 475 ATOM 402 OD2 ASP 26 -13.431 -2.405 -9.960 1.00 2.73 1BAL 476 ATOM 403 H ASP 26 -13.123 -4.296 -5.980 1.00 0.65 1BAL 477 ATOM 404 HA ASP 26 -11.566 -2.388 -7.624 1.00 1.13 1BAL 478 ATOM 405 1HB ASP 26 -14.501 -2.734 -7.027 1.00 0.87 1BAL 479 ATOM 406 2HB ASP 26 -13.888 -1.283 -7.820 1.00 1.38 1BAL 480 ATOM 407 N ALA 27 -11.535 -0.383 -6.131 1.00 0.66 1BAL 481 ATOM 408 CA ALA 27 -11.363 0.701 -5.121 1.00 0.54 1BAL 482 ATOM 409 C ALA 27 -12.675 1.472 -4.950 1.00 0.51 1BAL 483 ATOM 410 O ALA 27 -12.784 2.340 -4.107 1.00 0.52 1BAL 484 ATOM 411 CB ALA 27 -10.267 1.655 -5.593 1.00 0.45 1BAL 485 ATOM 412 H ALA 27 -11.125 -0.303 -7.017 1.00 0.65 1BAL 486 ATOM 413 HA ALA 27 -11.078 0.269 -4.177 1.00 0.59 1BAL 487 ATOM 414 1HB ALA 27 -9.929 1.362 -6.576 1.00 1.23 1BAL 488 ATOM 415 2HB ALA 27 -10.654 2.662 -5.636 1.00 0.86 1BAL 489 ATOM 416 3HB ALA 27 -9.435 1.624 -4.906 1.00 0.77 1BAL 490 ATOM 417 N SER 28 -13.646 1.135 -5.755 1.00 0.64 1BAL 491 ATOM 418 CA SER 28 -14.958 1.837 -5.655 1.00 0.79 1BAL 492 ATOM 419 C SER 28 -15.488 1.762 -4.219 1.00 0.68 1BAL 493 ATOM 420 O SER 28 -16.014 2.725 -3.697 1.00 0.66 1BAL 494 ATOM 421 CB SER 28 -15.954 1.168 -6.601 1.00 1.14 1BAL 495 ATOM 422 OG SER 28 -16.842 0.473 -5.738 1.00 2.47 1BAL 496 ATOM 423 H SER 28 -13.513 0.428 -6.420 1.00 0.71 1BAL 497 ATOM 424 HA SER 28 -14.836 2.867 -5.938 1.00 0.87 1BAL 498 ATOM 425 1HB SER 28 -16.494 1.908 -7.174 1.00 0.53 1BAL 499 ATOM 426 2HB SER 28 -15.452 0.473 -7.258 1.00 1.99 1BAL 500 ATOM 427 HG SER 28 -17.401 1.120 -5.302 1.00 2.82 1BAL 501 ATOM 428 N ALA 29 -15.337 0.616 -3.613 1.00 0.70 1BAL 502 ATOM 429 CA ALA 29 -15.824 0.461 -2.210 1.00 0.75 1BAL 503 ATOM 430 C ALA 29 -14.810 1.064 -1.232 1.00 0.74 1BAL 504 ATOM 431 O ALA 29 -15.136 1.354 -0.097 1.00 0.91 1BAL 505 ATOM 432 CB ALA 29 -16.005 -1.024 -1.903 1.00 0.90 1BAL 506 ATOM 433 H ALA 29 -14.909 -0.135 -4.072 1.00 0.73 1BAL 507 ATOM 434 HA ALA 29 -16.769 0.965 -2.102 1.00 0.79 1BAL 508 ATOM 435 1HB ALA 29 -15.098 -1.560 -2.142 1.00 1.58 1BAL 509 ATOM 436 2HB ALA 29 -16.230 -1.156 -0.856 1.00 1.51 1BAL 510 ATOM 437 3HB ALA 29 -16.818 -1.422 -2.494 1.00 0.64 1BAL 511 ATOM 438 N ILE 30 -13.602 1.240 -1.696 1.00 0.69 1BAL 512 ATOM 439 CA ILE 30 -12.550 1.824 -0.808 1.00 0.91 1BAL 513 ATOM 440 C ILE 30 -12.416 3.328 -1.077 1.00 1.08 1BAL 514 ATOM 441 O ILE 30 -13.023 3.853 -1.991 1.00 0.74 1BAL 515 ATOM 442 CB ILE 30 -11.209 1.129 -1.098 1.00 0.97 1BAL 516 ATOM 443 CG1 ILE 30 -11.407 -0.401 -1.062 1.00 0.79 1BAL 517 ATOM 444 CG2 ILE 30 -10.156 1.552 -0.050 1.00 1.23 1BAL 518 ATOM 445 CD1 ILE 30 -12.065 -0.815 0.260 1.00 0.82 1BAL 519 ATOM 446 H ILE 30 -13.386 0.990 -2.619 1.00 0.61 1BAL 520 ATOM 447 HA ILE 30 -12.826 1.667 0.219 1.00 0.99 1BAL 521 ATOM 448 HB ILE 30 -10.865 1.417 -2.080 1.00 1.00 1BAL 522 ATOM 449 1HG1 ILE 30 -12.042 -0.698 -1.885 1.00 0.69 1BAL 523 ATOM 450 2HG1 ILE 30 -10.453 -0.898 -1.163 1.00 0.81 1BAL 524 ATOM 451 1HG2 ILE 30 -10.640 1.854 0.865 1.00 0.39 1BAL 525 ATOM 452 2HG2 ILE 30 -9.491 0.729 0.158 1.00 1.87 1BAL 526 ATOM 453 3HG2 ILE 30 -9.579 2.382 -0.433 1.00 2.11 1BAL 527 ATOM 454 1HD1 ILE 30 -11.662 -0.233 1.072 1.00 1.66 1BAL 528 ATOM 455 2HD1 ILE 30 -13.131 -0.656 0.203 1.00 0.59 1BAL 529 ATOM 456 3HD1 ILE 30 -11.873 -1.860 0.446 1.00 1.40 1BAL 530 ATOM 457 N LYS 31 -11.623 3.988 -0.276 1.00 1.89 1BAL 531 ATOM 458 CA LYS 31 -11.435 5.458 -0.470 1.00 2.10 1BAL 532 ATOM 459 C LYS 31 -9.977 5.844 -0.202 1.00 2.04 1BAL 533 ATOM 460 O LYS 31 -9.390 5.423 0.776 1.00 1.86 1BAL 534 ATOM 461 CB LYS 31 -12.348 6.212 0.497 1.00 2.13 1BAL 535 ATOM 462 CG LYS 31 -13.681 5.470 0.613 1.00 1.80 1BAL 536 ATOM 463 CD LYS 31 -14.660 6.320 1.426 1.00 1.68 1BAL 537 ATOM 464 CE LYS 31 -16.031 5.641 1.428 1.00 1.80 1BAL 538 ATOM 465 NZ LYS 31 -15.920 4.244 1.933 1.00 2.64 1BAL 539 ATOM 466 H LYS 31 -11.157 3.524 0.449 1.00 2.39 1BAL 540 ATOM 467 HA LYS 31 -11.693 5.721 -1.481 1.00 2.31 1BAL 541 ATOM 468 1HB LYS 31 -11.879 6.269 1.467 1.00 2.22 1BAL 542 ATOM 469 2HB LYS 31 -12.521 7.212 0.127 1.00 2.58 1BAL 543 ATOM 470 1HG LYS 31 -14.085 5.294 -0.374 1.00 2.24 1BAL 544 ATOM 471 2HG LYS 31 -13.528 4.522 1.106 1.00 1.65 1BAL 545 ATOM 472 1HD LYS 31 -14.301 6.417 2.440 1.00 1.36 1BAL 546 ATOM 473 2HD LYS 31 -14.742 7.301 0.984 1.00 2.38 1BAL 547 ATOM 474 1HE LYS 31 -16.707 6.193 2.064 1.00 1.12 1BAL 548 ATOM 475 2HE LYS 31 -16.427 5.622 0.424 1.00 2.96 1BAL 549 ATOM 476 1HZ LYS 31 -14.930 4.043 2.181 1.00 3.02 1BAL 550 ATOM 477 2HZ LYS 31 -16.518 4.131 2.777 1.00 2.46 1BAL 551 ATOM 478 3HZ LYS 31 -16.233 3.582 1.195 1.00 3.69 1BAL 552 ATOM 479 N GLY 32 -9.423 6.638 -1.077 1.00 2.22 1BAL 553 ATOM 480 CA GLY 32 -8.006 7.061 -0.889 1.00 2.18 1BAL 554 ATOM 481 C GLY 32 -7.943 8.418 -0.186 1.00 2.21 1BAL 555 ATOM 482 O GLY 32 -7.822 9.445 -0.824 1.00 2.79 1BAL 556 ATOM 483 H GLY 32 -9.934 6.954 -1.852 1.00 2.38 1BAL 557 ATOM 484 1HA GLY 32 -7.490 6.325 -0.290 1.00 2.03 1BAL 558 ATOM 485 2HA GLY 32 -7.524 7.136 -1.852 1.00 2.30 1BAL 559 ATOM 486 N THR 33 -8.027 8.397 1.117 1.00 1.59 1BAL 560 ATOM 487 CA THR 33 -7.974 9.681 1.875 1.00 1.59 1BAL 561 ATOM 488 C THR 33 -6.521 10.054 2.185 1.00 1.45 1BAL 562 ATOM 489 O THR 33 -6.227 10.604 3.229 1.00 1.27 1BAL 563 ATOM 490 CB THR 33 -8.751 9.522 3.186 1.00 1.37 1BAL 564 ATOM 491 OG1 THR 33 -8.400 8.227 3.662 1.00 1.00 1BAL 565 ATOM 492 CG2 THR 33 -10.257 9.469 2.942 1.00 1.71 1BAL 566 ATOM 493 H THR 33 -8.124 7.545 1.592 1.00 1.15 1BAL 567 ATOM 494 HA THR 33 -8.425 10.462 1.288 1.00 1.91 1BAL 568 ATOM 495 HB THR 33 -8.498 10.285 3.901 1.00 1.33 1BAL 569 ATOM 496 HG1 THR 33 -8.319 7.644 2.904 1.00 1.71 1BAL 570 ATOM 497 1HG2 THR 33 -10.456 9.004 1.988 1.00 2.62 1BAL 571 ATOM 498 2HG2 THR 33 -10.732 8.895 3.724 1.00 0.87 1BAL 572 ATOM 499 3HG2 THR 33 -10.662 10.470 2.941 1.00 2.33 1BAL 573 ATOM 500 N GLY 34 -5.642 9.746 1.271 1.00 1.73 1BAL 574 ATOM 501 CA GLY 34 -4.206 10.075 1.495 1.00 1.64 1BAL 575 ATOM 502 C GLY 34 -4.009 11.591 1.555 1.00 1.74 1BAL 576 ATOM 503 O GLY 34 -4.926 12.348 1.301 1.00 1.99 1BAL 577 ATOM 504 H GLY 34 -5.925 9.303 0.443 1.00 2.08 1BAL 578 ATOM 505 1HA GLY 34 -3.881 9.636 2.427 1.00 1.41 1BAL 579 ATOM 506 2HA GLY 34 -3.617 9.670 0.685 1.00 1.75 1BAL 580 ATOM 507 N VAL 35 -2.818 12.002 1.889 1.00 1.67 1BAL 581 ATOM 508 CA VAL 35 -2.547 13.468 1.970 1.00 1.78 1BAL 582 ATOM 509 C VAL 35 -2.742 14.117 0.596 1.00 2.33 1BAL 583 ATOM 510 O VAL 35 -2.786 15.326 0.478 1.00 2.24 1BAL 584 ATOM 511 CB VAL 35 -1.108 13.686 2.436 1.00 1.83 1BAL 585 ATOM 512 CG1 VAL 35 -0.754 15.168 2.293 1.00 2.04 1BAL 586 ATOM 513 CG2 VAL 35 -0.987 13.280 3.907 1.00 1.36 1BAL 587 ATOM 514 H VAL 35 -2.108 11.357 2.086 1.00 1.61 1BAL 588 ATOM 515 HA VAL 35 -3.222 13.918 2.678 1.00 1.53 1BAL 589 ATOM 516 HB VAL 35 -0.435 13.092 1.837 1.00 2.19 1BAL 590 ATOM 517 1HG1 VAL 35 -1.586 15.775 2.619 1.00 1.34 1BAL 591 ATOM 518 2HG1 VAL 35 0.111 15.396 2.898 1.00 2.66 1BAL 592 ATOM 519 3HG1 VAL 35 -0.534 15.393 1.260 1.00 2.48 1BAL 593 ATOM 520 1HG2 VAL 35 -1.778 12.589 4.160 1.00 0.97 1BAL 594 ATOM 521 2HG2 VAL 35 -0.032 12.805 4.076 1.00 2.14 1BAL 595 ATOM 522 3HG2 VAL 35 -1.066 14.156 4.535 1.00 1.53 1BAL 596 ATOM 523 N GLY 36 -2.856 13.299 -0.415 1.00 3.31 1BAL 597 ATOM 524 CA GLY 36 -3.049 13.851 -1.785 1.00 3.88 1BAL 598 ATOM 525 C GLY 36 -3.834 12.866 -2.654 1.00 4.14 1BAL 599 ATOM 526 O GLY 36 -3.502 12.646 -3.801 1.00 5.13 1BAL 600 ATOM 527 H GLY 36 -2.815 12.330 -0.273 1.00 3.81 1BAL 601 ATOM 528 1HA GLY 36 -3.593 14.782 -1.720 1.00 3.89 1BAL 602 ATOM 529 2HA GLY 36 -2.084 14.034 -2.235 1.00 4.13 1BAL 603 ATOM 530 N GLY 37 -4.862 12.295 -2.087 1.00 3.26 1BAL 604 ATOM 531 CA GLY 37 -5.680 11.324 -2.866 1.00 3.45 1BAL 605 ATOM 532 C GLY 37 -4.877 10.051 -3.143 1.00 3.36 1BAL 606 ATOM 533 O GLY 37 -5.402 9.082 -3.654 1.00 3.35 1BAL 607 ATOM 534 H GLY 37 -5.093 12.503 -1.158 1.00 2.51 1BAL 608 ATOM 535 1HA GLY 37 -6.566 11.071 -2.304 1.00 3.24 1BAL 609 ATOM 536 2HA GLY 37 -5.970 11.773 -3.805 1.00 3.93 1BAL 610 ATOM 537 N ARG 38 -3.619 10.081 -2.800 1.00 3.39 1BAL 611 ATOM 538 CA ARG 38 -2.767 8.879 -3.035 1.00 3.38 1BAL 612 ATOM 539 C ARG 38 -3.321 7.678 -2.262 1.00 2.93 1BAL 613 ATOM 540 O ARG 38 -3.207 7.608 -1.054 1.00 3.05 1BAL 614 ATOM 541 CB ARG 38 -1.344 9.177 -2.568 1.00 3.33 1BAL 615 ATOM 542 CG ARG 38 -0.398 9.097 -3.767 1.00 4.07 1BAL 616 ATOM 543 CD ARG 38 1.015 9.473 -3.319 1.00 4.37 1BAL 617 ATOM 544 NE ARG 38 1.975 9.119 -4.401 1.00 5.06 1BAL 618 ATOM 545 CZ ARG 38 1.553 9.060 -5.635 1.00 4.86 1BAL 619 ATOM 546 NH1 ARG 38 1.191 10.164 -6.231 1.00 4.36 1BAL 620 ATOM 547 NH2 ARG 38 1.507 7.901 -6.233 1.00 5.63 1BAL 621 ATOM 548 H ARG 38 -3.237 10.885 -2.390 1.00 3.48 1BAL 622 ATOM 549 HA ARG 38 -2.755 8.652 -4.088 1.00 3.77 1BAL 623 ATOM 550 1HB ARG 38 -1.302 10.167 -2.138 1.00 2.99 1BAL 624 ATOM 551 2HB ARG 38 -1.048 8.454 -1.823 1.00 3.31 1BAL 625 ATOM 552 1HG ARG 38 -0.398 8.092 -4.163 1.00 4.58 1BAL 626 ATOM 553 2HG ARG 38 -0.728 9.780 -4.536 1.00 4.09 1BAL 627 ATOM 554 1HD ARG 38 1.069 10.535 -3.126 1.00 4.07 1BAL 628 ATOM 555 2HD ARG 38 1.273 8.932 -2.421 1.00 4.69 1BAL 629 ATOM 556 HE ARG 38 2.913 8.930 -4.190 1.00 5.84 1BAL 630 ATOM 557 1HH1 ARG 38 1.238 11.035 -5.741 1.00 4.16 1BAL 631 ATOM 558 2HH1 ARG 38 0.864 10.139 -7.175 1.00 4.54 1BAL 632 ATOM 559 1HH2 ARG 38 1.792 7.076 -5.745 1.00 6.24 1BAL 633 ATOM 560 2HH2 ARG 38 1.186 7.838 -7.178 1.00 5.85 1BAL 634 ATOM 561 N LEU 39 -3.909 6.758 -2.977 1.00 2.44 1BAL 635 ATOM 562 CA LEU 39 -4.476 5.554 -2.302 1.00 1.98 1BAL 636 ATOM 563 C LEU 39 -3.416 4.910 -1.401 1.00 1.70 1BAL 637 ATOM 564 O LEU 39 -2.428 4.385 -1.877 1.00 2.02 1BAL 638 ATOM 565 CB LEU 39 -4.932 4.552 -3.372 1.00 2.10 1BAL 639 ATOM 566 CG LEU 39 -5.274 3.202 -2.720 1.00 1.96 1BAL 640 ATOM 567 CD1 LEU 39 -6.222 3.424 -1.540 1.00 1.95 1BAL 641 ATOM 568 CD2 LEU 39 -5.968 2.311 -3.754 1.00 1.67 1BAL 642 ATOM 569 H LEU 39 -3.976 6.856 -3.949 1.00 2.37 1BAL 643 ATOM 570 HA LEU 39 -5.321 5.849 -1.704 1.00 1.84 1BAL 644 ATOM 571 1HB LEU 39 -5.803 4.939 -3.878 1.00 2.17 1BAL 645 ATOM 572 2HB LEU 39 -4.140 4.413 -4.093 1.00 2.21 1BAL 646 ATOM 573 HG LEU 39 -4.371 2.719 -2.378 1.00 2.11 1BAL 647 ATOM 574 1HD1 LEU 39 -6.958 4.172 -1.799 1.00 1.64 1BAL 648 ATOM 575 2HD1 LEU 39 -6.725 2.500 -1.297 1.00 2.14 1BAL 649 ATOM 576 3HD1 LEU 39 -5.662 3.761 -0.681 1.00 2.68 1BAL 650 ATOM 577 1HD2 LEU 39 -5.681 2.618 -4.750 1.00 2.24 1BAL 651 ATOM 578 2HD2 LEU 39 -5.678 1.283 -3.601 1.00 2.33 1BAL 652 ATOM 579 3HD2 LEU 39 -7.039 2.399 -3.649 1.00 0.60 1BAL 653 ATOM 580 N THR 40 -3.644 4.965 -0.118 1.00 1.25 1BAL 654 ATOM 581 CA THR 40 -2.660 4.360 0.827 1.00 1.08 1BAL 655 ATOM 582 C THR 40 -3.052 2.913 1.144 1.00 0.85 1BAL 656 ATOM 583 O THR 40 -4.021 2.400 0.621 1.00 0.70 1BAL 657 ATOM 584 CB THR 40 -2.637 5.178 2.120 1.00 0.81 1BAL 658 ATOM 585 OG1 THR 40 -3.971 5.115 2.614 1.00 0.32 1BAL 659 ATOM 586 CG2 THR 40 -2.380 6.656 1.842 1.00 1.17 1BAL 660 ATOM 587 H THR 40 -4.454 5.398 0.223 1.00 1.18 1BAL 661 ATOM 588 HA THR 40 -1.681 4.374 0.380 1.00 1.42 1BAL 662 ATOM 589 HB THR 40 -1.936 4.788 2.834 1.00 0.95 1BAL 663 ATOM 590 HG1 THR 40 -4.047 5.733 3.345 1.00 1.12 1BAL 664 ATOM 591 1HG2 THR 40 -1.847 6.765 0.909 1.00 1.82 1BAL 665 ATOM 592 2HG2 THR 40 -3.320 7.184 1.777 1.00 0.38 1BAL 666 ATOM 593 3HG2 THR 40 -1.789 7.080 2.640 1.00 2.00 1BAL 667 ATOM 594 N ARG 41 -2.289 2.288 1.997 1.00 0.90 1BAL 668 ATOM 595 CA ARG 41 -2.602 0.875 2.360 1.00 0.83 1BAL 669 ATOM 596 C ARG 41 -3.502 0.834 3.599 1.00 0.65 1BAL 670 ATOM 597 O ARG 41 -4.071 -0.190 3.922 1.00 0.75 1BAL 671 ATOM 598 CB ARG 41 -1.298 0.136 2.652 1.00 1.14 1BAL 672 ATOM 599 CG ARG 41 -1.562 -1.371 2.630 1.00 1.12 1BAL 673 ATOM 600 CD ARG 41 -0.246 -2.113 2.874 1.00 1.23 1BAL 674 ATOM 601 NE ARG 41 -0.548 -3.500 3.325 1.00 2.10 1BAL 675 ATOM 602 CZ ARG 41 -1.495 -4.174 2.731 1.00 2.93 1BAL 676 ATOM 603 NH1 ARG 41 -2.658 -4.275 3.315 1.00 4.27 1BAL 677 ATOM 604 NH2 ARG 41 -1.247 -4.725 1.574 1.00 3.37 1BAL 678 ATOM 605 H ARG 41 -1.517 2.742 2.396 1.00 1.04 1BAL 679 ATOM 606 HA ARG 41 -3.105 0.398 1.536 1.00 0.78 1BAL 680 ATOM 607 1HB ARG 41 -0.563 0.386 1.901 1.00 1.29 1BAL 681 ATOM 608 2HB ARG 41 -0.926 0.425 3.623 1.00 1.26 1BAL 682 ATOM 609 1HG ARG 41 -2.271 -1.627 3.402 1.00 1.25 1BAL 683 ATOM 610 2HG ARG 41 -1.965 -1.655 1.669 1.00 0.99 1BAL 684 ATOM 611 1HD ARG 41 0.330 -2.150 1.961 1.00 1.00 1BAL 685 ATOM 612 2HD ARG 41 0.326 -1.605 3.637 1.00 1.46 1BAL 686 ATOM 613 HE ARG 41 -0.040 -3.903 4.060 1.00 2.88 1BAL 687 ATOM 614 1HH1 ARG 41 -2.812 -3.840 4.202 1.00 4.41 1BAL 688 ATOM 615 2HH1 ARG 41 -3.395 -4.788 2.875 1.00 5.47 1BAL 689 ATOM 616 1HH2 ARG 41 -0.345 -4.626 1.156 1.00 2.89 1BAL 690 ATOM 617 2HH2 ARG 41 -1.961 -5.245 1.105 1.00 4.67 1BAL 691 ATOM 618 N GLU 42 -3.611 1.950 4.266 1.00 0.48 1BAL 692 ATOM 619 CA GLU 42 -4.470 1.994 5.485 1.00 0.57 1BAL 693 ATOM 620 C GLU 42 -5.949 2.041 5.087 1.00 0.44 1BAL 694 ATOM 621 O GLU 42 -6.823 1.950 5.925 1.00 0.58 1BAL 695 ATOM 622 CB GLU 42 -4.119 3.239 6.299 1.00 0.66 1BAL 696 ATOM 623 CG GLU 42 -5.036 3.315 7.521 1.00 2.47 1BAL 697 ATOM 624 CD GLU 42 -6.235 4.209 7.198 1.00 3.92 1BAL 698 ATOM 625 OE1 GLU 42 -5.980 5.322 6.766 1.00 4.17 1BAL 699 ATOM 626 OE2 GLU 42 -7.338 3.731 7.401 1.00 5.09 1BAL 700 ATOM 627 H GLU 42 -3.134 2.753 3.967 1.00 0.39 1BAL 701 ATOM 628 HA GLU 42 -4.288 1.116 6.081 1.00 0.80 1BAL 702 ATOM 629 1HB GLU 42 -3.089 3.182 6.621 1.00 1.01 1BAL 703 ATOM 630 2HB GLU 42 -4.251 4.120 5.689 1.00 1.35 1BAL 704 ATOM 631 1HG GLU 42 -5.388 2.327 7.777 1.00 2.78 1BAL 705 ATOM 632 2HG GLU 42 -4.497 3.730 8.359 1.00 2.90 1BAL 706 ATOM 633 N ASP 43 -6.195 2.183 3.813 1.00 0.32 1BAL 707 ATOM 634 CA ASP 43 -7.609 2.236 3.341 1.00 0.44 1BAL 708 ATOM 635 C ASP 43 -8.065 0.845 2.890 1.00 0.31 1BAL 709 ATOM 636 O ASP 43 -9.207 0.472 3.072 1.00 0.55 1BAL 710 ATOM 637 CB ASP 43 -7.709 3.211 2.169 1.00 0.57 1BAL 711 ATOM 638 CG ASP 43 -7.697 4.645 2.701 1.00 0.73 1BAL 712 ATOM 639 OD1 ASP 43 -8.752 5.068 3.143 1.00 1.03 1BAL 713 ATOM 640 OD2 ASP 43 -6.631 5.238 2.636 1.00 1.29 1BAL 714 ATOM 641 H ASP 43 -5.457 2.255 3.173 1.00 0.32 1BAL 715 ATOM 642 HA ASP 43 -8.242 2.576 4.143 1.00 0.67 1BAL 716 ATOM 643 1HB ASP 43 -6.870 3.070 1.503 1.00 0.53 1BAL 717 ATOM 644 2HB ASP 43 -8.628 3.039 1.627 1.00 0.75 1BAL 718 ATOM 645 N VAL 44 -7.160 0.105 2.309 1.00 0.23 1BAL 719 ATOM 646 CA VAL 44 -7.521 -1.265 1.840 1.00 0.36 1BAL 720 ATOM 647 C VAL 44 -7.321 -2.282 2.969 1.00 0.51 1BAL 721 ATOM 648 O VAL 44 -7.761 -3.410 2.876 1.00 0.50 1BAL 722 ATOM 649 CB VAL 44 -6.631 -1.638 0.656 1.00 0.62 1BAL 723 ATOM 650 CG1 VAL 44 -7.352 -2.675 -0.206 1.00 0.32 1BAL 724 ATOM 651 CG2 VAL 44 -6.356 -0.389 -0.182 1.00 1.02 1BAL 725 ATOM 652 H VAL 44 -6.249 0.447 2.181 1.00 0.41 1BAL 726 ATOM 653 HA VAL 44 -8.552 -1.275 1.527 1.00 0.29 1BAL 727 ATOM 654 HB VAL 44 -5.700 -2.048 1.017 1.00 0.87 1BAL 728 ATOM 655 1HG1 VAL 44 -7.984 -3.291 0.416 1.00 1.26 1BAL 729 ATOM 656 2HG1 VAL 44 -7.959 -2.175 -0.945 1.00 0.92 1BAL 730 ATOM 657 3HG1 VAL 44 -6.627 -3.301 -0.707 1.00 1.21 1BAL 731 ATOM 658 1HG2 VAL 44 -7.212 0.268 -0.149 1.00 0.70 1BAL 732 ATOM 659 2HG2 VAL 44 -5.494 0.130 0.210 1.00 2.01 1BAL 733 ATOM 660 3HG2 VAL 44 -6.165 -0.674 -1.207 1.00 1.37 1BAL 734 ATOM 661 N GLU 45 -6.661 -1.860 4.013 1.00 0.84 1BAL 735 ATOM 662 CA GLU 45 -6.423 -2.791 5.155 1.00 1.14 1BAL 736 ATOM 663 C GLU 45 -7.754 -3.193 5.795 1.00 1.02 1BAL 737 ATOM 664 O GLU 45 -7.983 -4.351 6.084 1.00 1.05 1BAL 738 ATOM 665 CB GLU 45 -5.548 -2.093 6.196 1.00 1.53 1BAL 739 ATOM 666 CG GLU 45 -5.400 -3.002 7.419 1.00 2.26 1BAL 740 ATOM 667 CD GLU 45 -3.946 -2.980 7.894 1.00 1.74 1BAL 741 ATOM 668 OE1 GLU 45 -3.656 -2.124 8.712 1.00 2.55 1BAL 742 ATOM 669 OE2 GLU 45 -3.207 -3.823 7.411 1.00 0.91 1BAL 743 ATOM 670 H GLU 45 -6.325 -0.939 4.047 1.00 0.94 1BAL 744 ATOM 671 HA GLU 45 -5.917 -3.671 4.799 1.00 1.24 1BAL 745 ATOM 672 1HB GLU 45 -4.574 -1.891 5.775 1.00 1.27 1BAL 746 ATOM 673 2HB GLU 45 -6.007 -1.161 6.490 1.00 1.74 1BAL 747 ATOM 674 1HG GLU 45 -6.040 -2.650 8.215 1.00 3.21 1BAL 748 ATOM 675 2HG GLU 45 -5.676 -4.013 7.159 1.00 2.49 1BAL 749 ATOM 676 N LYS 46 -8.604 -2.226 6.003 1.00 1.01 1BAL 750 ATOM 677 CA LYS 46 -9.926 -2.533 6.624 1.00 1.14 1BAL 751 ATOM 678 C LYS 46 -10.864 -3.157 5.588 1.00 0.95 1BAL 752 ATOM 679 O LYS 46 -12.022 -2.799 5.498 1.00 1.60 1BAL 753 ATOM 680 CB LYS 46 -10.541 -1.239 7.153 1.00 1.32 1BAL 754 ATOM 681 CG LYS 46 -9.601 -0.627 8.194 1.00 0.99 1BAL 755 ATOM 682 CD LYS 46 -10.401 -0.288 9.454 1.00 1.24 1BAL 756 ATOM 683 CE LYS 46 -11.515 0.697 9.094 1.00 2.34 1BAL 757 ATOM 684 NZ LYS 46 -11.639 1.749 10.141 1.00 3.03 1BAL 758 ATOM 685 H LYS 46 -8.378 -1.306 5.754 1.00 1.02 1BAL 759 ATOM 686 HA LYS 46 -9.787 -3.221 7.440 1.00 1.31 1BAL 760 ATOM 687 1HB LYS 46 -10.681 -0.544 6.338 1.00 1.82 1BAL 761 ATOM 688 2HB LYS 46 -11.497 -1.452 7.607 1.00 1.61 1BAL 762 ATOM 689 1HG LYS 46 -8.822 -1.333 8.439 1.00 0.79 1BAL 763 ATOM 690 2HG LYS 46 -9.153 0.271 7.796 1.00 1.84 1BAL 764 ATOM 691 1HD LYS 46 -10.832 -1.190 9.864 1.00 1.97 1BAL 765 ATOM 692 2HD LYS 46 -9.748 0.157 10.189 1.00 1.63 1BAL 766 ATOM 693 1HE LYS 46 -11.293 1.165 8.147 1.00 2.72 1BAL 767 ATOM 694 2HE LYS 46 -12.454 0.167 9.013 1.00 3.02 1BAL 768 ATOM 695 1HZ LYS 46 -11.009 1.522 10.936 1.00 2.72 1BAL 769 ATOM 696 2HZ LYS 46 -11.373 2.670 9.739 1.00 3.45 1BAL 770 ATOM 697 3HZ LYS 46 -12.622 1.789 10.477 1.00 3.71 1BAL 771 ATOM 698 N HIS 47 -10.343 -4.078 4.826 1.00 0.54 1BAL 772 ATOM 699 CA HIS 47 -11.190 -4.736 3.790 1.00 0.39 1BAL 773 ATOM 700 C HIS 47 -10.716 -6.175 3.558 1.00 0.33 1BAL 774 ATOM 701 O HIS 47 -11.514 -7.085 3.453 1.00 0.47 1BAL 775 ATOM 702 CB HIS 47 -11.084 -3.948 2.487 1.00 0.33 1BAL 776 ATOM 703 CG HIS 47 -12.394 -4.080 1.708 1.00 0.32 1BAL 777 ATOM 704 ND1 HIS 47 -13.456 -3.473 1.983 1.00 0.35 1BAL 778 ATOM 705 CD2 HIS 47 -12.688 -4.842 0.594 1.00 0.40 1BAL 779 ATOM 706 CE1 HIS 47 -14.383 -3.770 1.166 1.00 0.48 1BAL 780 ATOM 707 NE2 HIS 47 -13.982 -4.640 0.243 1.00 0.49 1BAL 781 ATOM 708 H HIS 47 -9.403 -4.335 4.931 1.00 0.97 1BAL 782 ATOM 709 HA HIS 47 -12.215 -4.745 4.119 1.00 0.57 1BAL 783 ATOM 710 1HB HIS 47 -10.902 -2.906 2.704 1.00 0.32 1BAL 784 ATOM 711 2HB HIS 47 -10.273 -4.335 1.889 1.00 0.43 1BAL 785 ATOM 712 HD1 HIS 47 -13.559 -2.849 2.732 1.00 0.32 1BAL 786 ATOM 713 HD2 HIS 47 -11.996 -5.495 0.085 1.00 0.43 1BAL 787 ATOM 714 HE1 HIS 47 -15.381 -3.363 1.215 1.00 0.59 1BAL 788 ATOM 715 N LEU 48 -9.425 -6.348 3.483 1.00 0.18 1BAL 789 ATOM 716 CA LEU 48 -8.881 -7.718 3.259 1.00 0.28 1BAL 790 ATOM 717 C LEU 48 -9.012 -8.553 4.537 1.00 0.45 1BAL 791 ATOM 718 O LEU 48 -10.098 -8.750 5.045 1.00 0.77 1BAL 792 ATOM 719 CB LEU 48 -7.409 -7.614 2.867 1.00 0.24 1BAL 793 ATOM 720 CG LEU 48 -7.299 -6.899 1.519 1.00 0.36 1BAL 794 ATOM 721 CD1 LEU 48 -5.973 -6.137 1.460 1.00 0.65 1BAL 795 ATOM 722 CD2 LEU 48 -7.334 -7.936 0.394 1.00 0.51 1BAL 796 ATOM 723 H LEU 48 -8.818 -5.583 3.571 1.00 0.07 1BAL 797 ATOM 724 HA LEU 48 -9.429 -8.194 2.464 1.00 0.39 1BAL 798 ATOM 725 1HB LEU 48 -6.872 -7.054 3.618 1.00 0.31 1BAL 799 ATOM 726 2HB LEU 48 -6.983 -8.602 2.789 1.00 0.35 1BAL 800 ATOM 727 HG LEU 48 -8.121 -6.208 1.404 1.00 0.32 1BAL 801 ATOM 728 1HD1 LEU 48 -5.155 -6.817 1.645 1.00 0.78 1BAL 802 ATOM 729 2HD1 LEU 48 -5.851 -5.692 0.484 1.00 1.19 1BAL 803 ATOM 730 3HD1 LEU 48 -5.966 -5.360 2.209 1.00 1.66 1BAL 804 ATOM 731 1HD2 LEU 48 -8.238 -8.523 0.468 1.00 0.49 1BAL 805 ATOM 732 2HD2 LEU 48 -7.312 -7.437 -0.563 1.00 1.43 1BAL 806 ATOM 733 3HD2 LEU 48 -6.478 -8.589 0.474 1.00 1.19 1BAL 807 ATOM 734 N ALA 49 -7.900 -9.026 5.030 1.00 1.66 1BAL 808 ATOM 735 CA ALA 49 -7.944 -9.850 6.274 1.00 1.90 1BAL 809 ATOM 736 C ALA 49 -6.658 -9.655 7.083 1.00 3.26 1BAL 810 ATOM 737 O ALA 49 -6.055 -8.600 7.052 1.00 4.07 1BAL 811 ATOM 738 CB ALA 49 -8.088 -11.323 5.894 1.00 2.51 1BAL 812 ATOM 739 H ALA 49 -7.045 -8.843 4.588 1.00 2.45 1BAL 813 ATOM 740 HA ALA 49 -8.790 -9.552 6.870 1.00 1.20 1BAL 814 ATOM 741 1HB ALA 49 -8.843 -11.429 5.129 1.00 2.29 1BAL 815 ATOM 742 2HB ALA 49 -7.146 -11.696 5.518 1.00 3.56 1BAL 816 ATOM 743 3HB ALA 49 -8.377 -11.896 6.762 1.00 2.85 1BAL 817 ATOM 744 N LYS 50 -6.266 -10.678 7.792 1.00 3.70 1BAL 818 ATOM 745 CA LYS 50 -5.023 -10.570 8.610 1.00 5.04 1BAL 819 ATOM 746 C LYS 50 -3.819 -11.080 7.811 1.00 6.14 1BAL 820 ATOM 747 O LYS 50 -3.966 -11.597 6.721 1.00 6.21 1BAL 821 ATOM 748 CB LYS 50 -5.183 -11.406 9.880 1.00 5.21 1BAL 822 ATOM 749 CG LYS 50 -6.519 -11.051 10.548 1.00 4.34 1BAL 823 ATOM 750 CD LYS 50 -6.355 -11.058 12.075 1.00 5.17 1BAL 824 ATOM 751 CE LYS 50 -6.023 -12.478 12.546 1.00 5.66 1BAL 825 ATOM 752 NZ LYS 50 -7.137 -13.410 12.214 1.00 4.96 1BAL 826 ATOM 753 H LYS 50 -6.784 -11.510 7.788 1.00 3.32 1BAL 827 ATOM 754 HA LYS 50 -4.861 -9.541 8.880 1.00 5.39 1BAL 828 ATOM 755 1HB LYS 50 -5.173 -12.456 9.625 1.00 5.28 1BAL 829 ATOM 756 2HB LYS 50 -4.367 -11.198 10.554 1.00 6.17 1BAL 830 ATOM 757 1HG LYS 50 -6.834 -10.071 10.223 1.00 4.16 1BAL 831 ATOM 758 2HG LYS 50 -7.269 -11.775 10.263 1.00 3.78 1BAL 832 ATOM 759 1HD LYS 50 -5.561 -10.384 12.361 1.00 5.86 1BAL 833 ATOM 760 2HD LYS 50 -7.275 -10.732 12.537 1.00 5.00 1BAL 834 ATOM 761 1HE LYS 50 -5.120 -12.820 12.063 1.00 5.97 1BAL 835 ATOM 762 2HE LYS 50 -5.871 -12.476 13.616 1.00 6.54 1BAL 836 ATOM 763 1HZ LYS 50 -7.887 -12.889 11.717 1.00 4.00 1BAL 837 ATOM 764 2HZ LYS 50 -6.780 -14.172 11.603 1.00 5.15 1BAL 838 ATOM 765 3HZ LYS 50 -7.520 -13.818 13.090 1.00 5.59 1BAL 839 ATOM 766 N ALA 51 -2.650 -10.922 8.371 1.00 7.23 1BAL 840 ATOM 767 CA ALA 51 -1.425 -11.391 7.659 1.00 8.48 1BAL 841 ATOM 768 C ALA 51 -0.406 -11.936 8.665 1.00 9.37 1BAL 842 ATOM 769 O ALA 51 -0.642 -13.039 9.132 1.00 9.38 1BAL 843 ATOM 770 CB ALA 51 -0.811 -10.218 6.898 1.00 9.19 1BAL 844 ATOM 771 OXT ALA 51 0.550 -11.219 8.910 1.00 10.16 1BAL 845 ATOM 772 H ALA 51 -2.578 -10.499 9.253 1.00 7.34 1BAL 846 ATOM 773 HA ALA 51 -1.691 -12.167 6.963 1.00 8.47 1BAL 847 ATOM 774 1HB ALA 51 -1.538 -9.807 6.212 1.00 8.79 1BAL 848 ATOM 775 2HB ALA 51 -0.508 -9.449 7.593 1.00 9.49 1BAL 849 ATOM 776 3HB ALA 51 0.051 -10.555 6.342 1.00 10.00 1BAL 850 TER 777 ALA 51 1BAL 851 ENDMDL 1BAL 852 END