HEADER PRELIMINARY 29-OCT-91 P1YEB COMPND B-2036 COMPOSITE CYTOCHROME $C (REDUCED STATE) SOURCE BAKER'S YEAST (SACCHAROMYCES $CEREVISIAE) AUTHOR M.E.P.MURPHY,G.D.BRAYER JRNL AUTH M.E.P.MURPHY,B.T.NALL,G.D.BRAYER JRNL TITL STRUCTURE DETERMINATION AND ANALYSIS OF YEAST JRNL TITL 2 ISO-2-CYTOCHROME $C AND A COMPOSITE MUTANT JRNL TITL 3 PROTEIN JRNL REF TO BE PUBLISHED V. 0 0 0 JRNL REFN ASTM 353 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.95 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 REMARK 3 PROGRAM PROLSQ REMARK 3 AUTHORS HENDRICKSON AND KONNERT REMARK 3 R VALUE 0.175 REMARK 3 RMSD BOND DISTANCES 0.019 ANGSTROMS REMARK 3 RMSD BOND ANGLE DISTANCES 0.037 ANGSTROMS REMARK 4 REMARK 4 ********************************************************** REMARK 4 * * REMARK 4 * NOTE: * REMARK 4 * THIS IS A "PRE-RELEASE" ENTRY. THE OBJECTIVE OF * REMARK 4 * THE PRE-RELEASE IS TO MAKE PENDING ENTRIES * REMARK 4 * AVAILABLE TO THE SCIENTIFIC COMMUNITY AS SOON AS * REMARK 4 * POSSIBLE. INFORMATION THAT UNIQUELY IDENTIFIES * REMARK 4 * THE COORDINATE SET HAS BEEN PROVIDED. ALL OTHER * REMARK 4 * DETAILS WILL BE PROVIDED WHEN THE STANDARD * REMARK 4 * RELEASE ENTRY BECOMES AVAILABLE. * REMARK 4 * * REMARK 4 * THIS ENTRY MAY NOT FULLY CONFORM TO THE * REMARK 4 * SPECIFICATIONS GIVEN IN THE PROTEIN DATA BANK * REMARK 4 * ATOMIC COORDINATE AND BIBLIOGRAPHIC ENTRY FORMAT * REMARK 4 * DESCRIPTION. * REMARK 4 * * REMARK 4 * RESIDUE AND ATOM NAMES FOR HETEROGENS MAY NOT * REMARK 4 * BE IN THE PROTEIN DATA BANK STANDARD FORMAT. * REMARK 4 * CHANGES TO THESE NAMES MAY THEREFORE OCCUR WHEN * REMARK 4 * THE STANDARD RELEASE ENTRY BECOMES AVAILABLE. * REMARK 4 * * REMARK 4 * THE FOLLOWING CHECKS HAVE BEEN MADE: * REMARK 4 * * REMARK 4 * 1. AMINO ACID SEQUENCE COMPARED TO THE * REMARK 4 * NON-REDUNDANT SEQUENCE DATABASE USING THE * REMARK 4 * GENINFO - GENETIC COMPUTING ENVIRONMENT * REMARK 4 * (NATIONAL CENTER FOR BIOTECHNOLOGY * REMARK 4 * INFORMATION, NATIONAL LIBRARY OF MEDICINE) * REMARK 4 * 2. STEREOCHEMISTRY * REMARK 4 * BOND DISTANCES AND ANGLES * REMARK 4 * DISTORTIONS OF PLANAR GROUPS * REMARK 4 * RAMACHANDRAN PLOT * REMARK 4 * 3. CRYSTAL PACKING * REMARK 4 * * REMARK 4 * A VISUAL CHECK OF THE ENTRY HAS BEEN MADE USING * REMARK 4 * MIDASPLUS (COMPUTER GRAPHICS LABORATORY, * REMARK 4 * UNIVERSITY OF CALIFORNIA, SAN FRANCISCO). * REMARK 4 * * REMARK 4 ********************************************************** REMARK 5 REMARK 5 THE ENTRIES SEQUENCE IS ALIGNED TO THAT OF THE ISO-2- REMARK 5 CYTOCHROME C SEQUENCE STARTING AT POSITION -5. THERE ARE REMARK 5 SIX AMINO ACID SUBSTITUTIONS AS INDICATED BELOW. REMARK 5 GLY -4 TO GLU REMARK 5 PRO -1 TO ALA REMARK 5 ALA 83 TO GLY REMARK 5 THR 99 TO LYS REMARK 5 ALA 102 TO CYS REMARK 5 LYS 103 TO GLU SEQRES 1 108 THR GLU PHE LYS ALA GLY SER ALA LYS LYS GLY ALA THR SEQRES 2 108 LEU PHE LYS THR ARG CYS GLN GLN CYS HIS THR ILE GLU SEQRES 3 108 GLU GLY GLY PRO ASN LYS VAL GLY PRO ASN LEU HIS GLY SEQRES 4 108 ILE PHE GLY ARG HIS SER GLY GLN VAL LYS GLY TYR SER SEQRES 5 108 TYR THR ASP ALA ASN ILE ASN LYS ASN VAL LYS TRP ASP SEQRES 6 108 GLU ASP SER MET SER GLU TYR LEU THR ASN PRO LYS LYS SEQRES 7 108 TYR ILE PRO GLY THR LYS MET ALA PHE GLY GLY LEU LYS SEQRES 8 108 LYS GLU LYS ASP ARG ASN ASP LEU ILE THR TYR LEU LYS SEQRES 9 108 LYS ALA CYS GLU FTNOTE 1 FTNOTE 1 RESIDUE 72 IS TRIMETHYLLYSINE HET TML 72 3 TRIMETHYLLYSINE HET HEM 104 43 IRON PROTOPORPYHRIN IX HET SO4 105 5 SULFATE ION FORMUL 2 TML 3(C1 H3) FORMUL 3 HEM C34 H30 N4 O4 FE1 -- FORMUL 4 SO4 O4 S1 -- FORMUL 5 HOH *55(H2 O1) CRYST1 36.390 36.390 137.280 90.00 90.00 90.00 P 43 21 2 8 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 0.027480 0.000000 0.000000 0.00000 SCALE2 0.000000 0.027480 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007284 0.00000 ATOM 1 N THR -5 2.523 7.271 -4.453 1.00 53.79 ATOM 2 CA THR -5 1.304 8.082 -4.643 1.00 53.96 ATOM 3 C THR -5 1.436 8.914 -5.924 1.00 53.15 ATOM 4 O THR -5 2.049 8.393 -6.875 1.00 53.30 ATOM 5 CB THR -5 1.061 9.022 -3.398 1.00 54.47 ATOM 6 OG1 THR -5 1.924 8.503 -2.353 1.00 54.71 ATOM 7 CG2 THR -5 -0.404 9.174 -3.018 1.00 55.39 ATOM 8 N GLU -4 0.855 10.087 -5.908 1.00 51.59 ATOM 9 CA GLU -4 0.836 11.126 -6.916 1.00 49.98 ATOM 10 C GLU -4 0.588 12.472 -6.182 1.00 47.81 ATOM 11 O GLU -4 -0.372 12.564 -5.397 1.00 48.51 ATOM 12 CB GLU -4 -0.201 11.072 -7.996 1.00 52.32 ATOM 13 CG GLU -4 -0.662 9.760 -8.596 1.00 55.29 ATOM 14 CD GLU -4 -1.886 9.198 -7.915 1.00 57.73 ATOM 15 OE1 GLU -4 -3.006 9.378 -8.361 1.00 58.99 ATOM 16 OE2 GLU -4 -1.610 8.574 -6.863 1.00 58.50 ATOM 17 N PHE -3 1.462 13.419 -6.438 1.00 44.37 ATOM 18 CA PHE -3 1.434 14.771 -5.841 1.00 40.14 ATOM 19 C PHE -3 1.727 15.758 -6.987 1.00 37.14 ATOM 20 O PHE -3 2.705 15.514 -7.704 1.00 37.50 ATOM 21 CB PHE -3 2.419 14.960 -4.662 1.00 38.56 ATOM 22 CG PHE -3 2.789 16.413 -4.437 1.00 36.27 ATOM 23 CD1 PHE -3 1.979 17.210 -3.620 1.00 36.07 ATOM 24 CD2 PHE -3 3.844 16.991 -5.122 1.00 34.17 ATOM 25 CE1 PHE -3 2.248 18.561 -3.456 1.00 34.44 ATOM 26 CE2 PHE -3 4.139 18.352 -4.975 1.00 33.21 ATOM 27 CZ PHE -3 3.314 19.136 -4.139 1.00 33.88 ATOM 28 N LYS -2 0.955 16.807 -7.091 1.00 33.95 ATOM 29 CA LYS -2 1.135 17.816 -8.136 1.00 31.63 ATOM 30 C LYS -2 1.352 19.163 -7.467 1.00 29.90 ATOM 31 O LYS -2 0.823 19.308 -6.355 1.00 31.37 ATOM 32 CB LYS -2 -0.114 17.960 -9.010 1.00 33.06 ATOM 33 CG LYS -2 -0.099 19.082 -10.043 1.00 33.31 ATOM 34 CD LYS -2 -1.491 19.709 -10.231 1.00 33.64 ATOM 35 CE LYS -2 -1.892 19.739 -11.707 1.00 31.12 ATOM 36 NZ LYS -2 -2.550 21.036 -11.999 1.00 31.35 ATOM 37 N ALA -1 2.012 20.047 -8.163 1.00 27.31 ATOM 38 CA ALA -1 2.291 21.391 -7.630 1.00 25.33 ATOM 39 C ALA -1 1.073 22.258 -7.881 1.00 24.53 ATOM 40 O ALA -1 0.435 22.246 -8.942 1.00 25.35 ATOM 41 CB ALA -1 3.523 22.011 -8.235 1.00 25.63 ATOM 42 N GLY 1 0.788 23.013 -6.852 1.00 23.54 ATOM 43 CA GLY 1 -0.373 23.947 -6.903 1.00 20.57 ATOM 44 C GLY 1 0.299 25.306 -6.799 1.00 21.11 ATOM 45 O GLY 1 1.393 25.576 -7.349 1.00 19.85 ATOM 46 N SER 2 -0.393 26.146 -6.010 1.00 19.94 ATOM 47 CA SER 2 0.175 27.495 -5.872 1.00 17.85 ATOM 48 C SER 2 0.891 27.792 -4.558 1.00 18.27 ATOM 49 O SER 2 0.371 27.726 -3.451 1.00 16.87 ATOM 50 CB SER 2 -0.960 28.464 -6.171 1.00 14.64 ATOM 51 OG SER 2 -0.608 29.729 -5.696 1.00 10.27 ATOM 52 N ALA 3 2.140 28.257 -4.749 1.00 17.67 ATOM 53 CA ALA 3 3.020 28.733 -3.698 1.00 15.19 ATOM 54 C ALA 3 2.431 29.979 -3.069 1.00 16.03 ATOM 55 O ALA 3 2.545 30.038 -1.821 1.00 18.42 ATOM 56 CB ALA 3 4.416 28.985 -4.251 1.00 14.81 ATOM 57 N LYS 4 1.804 30.925 -3.763 1.00 14.80 ATOM 58 CA LYS 4 1.175 32.090 -3.072 1.00 15.82 ATOM 59 C LYS 4 0.034 31.537 -2.133 1.00 16.09 ATOM 60 O LYS 4 -0.097 31.983 -0.975 1.00 15.49 ATOM 61 CB LYS 4 0.447 33.045 -3.947 1.00 17.93 ATOM 62 CG LYS 4 0.956 34.059 -4.907 1.00 22.72 ATOM 63 CD LYS 4 -0.107 34.440 -5.958 1.00 26.08 ATOM 64 CE LYS 4 0.309 34.298 -7.392 1.00 26.46 ATOM 65 NZ LYS 4 -0.787 33.761 -8.279 1.00 27.39 ATOM 66 N LYS 5 -0.795 30.673 -2.698 1.00 15.30 ATOM 67 CA LYS 5 -1.908 30.094 -1.925 1.00 16.91 ATOM 68 C LYS 5 -1.386 29.282 -0.735 1.00 15.93 ATOM 69 O LYS 5 -2.002 29.332 0.346 1.00 16.84 ATOM 70 CB LYS 5 -2.844 29.164 -2.689 1.00 20.40 ATOM 71 CG LYS 5 -3.657 29.839 -3.789 1.00 24.53 ATOM 72 CD LYS 5 -3.811 28.918 -4.987 1.00 27.78 ATOM 73 CE LYS 5 -4.975 27.961 -4.833 1.00 29.47 ATOM 74 NZ LYS 5 -4.756 26.711 -5.630 1.00 30.09 ATOM 75 N GLY 6 -0.331 28.525 -1.003 1.00 13.34 ATOM 76 CA GLY 6 0.299 27.680 0.040 1.00 10.79 ATOM 77 C GLY 6 0.765 28.578 1.174 1.00 11.46 ATOM 78 O GLY 6 0.625 28.216 2.372 1.00 12.27 ATOM 79 N ALA 7 1.241 29.760 0.810 1.00 9.50 ATOM 80 CA ALA 7 1.714 30.799 1.709 1.00 7.56 ATOM 81 C ALA 7 0.648 31.252 2.684 1.00 5.90 ATOM 82 O ALA 7 0.893 31.341 3.906 1.00 8.33 ATOM 83 CB ALA 7 2.211 32.050 0.938 1.00 6.60 ATOM 84 N THR 8 -0.512 31.614 2.166 1.00 5.64 ATOM 85 CA THR 8 -1.583 32.078 3.036 1.00 9.10 ATOM 86 C THR 8 -2.089 30.946 3.909 1.00 10.60 ATOM 87 O THR 8 -2.589 31.207 5.019 1.00 13.23 ATOM 88 CB THR 8 -2.811 32.756 2.273 1.00 7.52 ATOM 89 OG1 THR 8 -3.076 31.861 1.172 1.00 7.39 ATOM 90 CG2 THR 8 -2.431 34.206 1.906 1.00 5.58 ATOM 91 N LEU 9 -2.052 29.749 3.338 1.00 10.63 ATOM 92 CA LEU 9 -2.604 28.591 4.153 1.00 10.04 ATOM 93 C LEU 9 -1.735 28.398 5.384 1.00 8.82 ATOM 94 O LEU 9 -2.192 28.168 6.508 1.00 8.31 ATOM 95 CB LEU 9 -2.660 27.398 3.215 1.00 9.14 ATOM 96 CG LEU 9 -3.781 26.995 2.347 1.00 9.43 ATOM 97 CD1 LEU 9 -3.517 25.584 1.817 1.00 7.14 ATOM 98 CD2 LEU 9 -5.119 26.926 3.154 1.00 11.78 ATOM 99 N PHE 10 -0.430 28.527 5.174 1.00 9.66 ATOM 100 CA PHE 10 0.580 28.388 6.215 1.00 8.40 ATOM 101 C PHE 10 0.282 29.426 7.316 1.00 8.08 ATOM 102 O PHE 10 0.155 29.105 8.497 1.00 8.89 ATOM 103 CB PHE 10 2.032 28.539 5.729 1.00 9.85 ATOM 104 CG PHE 10 3.020 28.353 6.879 1.00 10.04 ATOM 105 CD1 PHE 10 3.333 29.453 7.684 1.00 10.42 ATOM 106 CD2 PHE 10 3.600 27.112 7.110 1.00 11.47 ATOM 107 CE1 PHE 10 4.206 29.328 8.747 1.00 12.67 ATOM 108 CE2 PHE 10 4.548 26.982 8.175 1.00 10.69 ATOM 109 CZ PHE 10 4.787 28.080 9.004 1.00 11.28 ATOM 110 N LYS 11 0.203 30.652 6.862 1.00 6.97 ATOM 111 CA LYS 11 0.034 31.771 7.801 1.00 9.00 ATOM 112 C LYS 11 -1.220 31.558 8.628 1.00 9.08 ATOM 113 O LYS 11 -1.209 31.832 9.827 1.00 10.77 ATOM 114 CB LYS 11 0.017 33.112 7.104 1.00 12.12 ATOM 115 CG LYS 11 1.227 33.315 6.188 1.00 18.24 ATOM 116 CD LYS 11 1.658 34.795 6.107 1.00 19.69 ATOM 117 CE LYS 11 2.321 35.013 4.744 1.00 19.56 ATOM 118 NZ LYS 11 1.220 35.387 3.795 1.00 19.50 ATOM 119 N THR 12 -2.200 31.004 7.946 1.00 10.68 ATOM 120 CA THR 12 -3.525 30.779 8.573 1.00 10.90 ATOM 121 C THR 12 -3.683 29.445 9.247 1.00 11.78 ATOM 122 O THR 12 -4.591 29.289 10.129 1.00 11.93 ATOM 123 CB THR 12 -4.638 31.167 7.487 1.00 9.88 ATOM 124 OG1 THR 12 -4.562 30.152 6.468 1.00 9.69 ATOM 125 CG2 THR 12 -4.302 32.561 6.855 1.00 7.14 ATOM 126 N ARG 13 -2.830 28.476 8.940 1.00 13.77 ATOM 127 CA ARG 13 -2.969 27.166 9.621 1.00 14.93 ATOM 128 C ARG 13 -1.801 26.648 10.425 1.00 14.55 ATOM 129 O ARG 13 -2.009 25.821 11.366 1.00 12.25 ATOM 130 CB ARG 13 -3.448 26.061 8.636 1.00 15.94 ATOM 131 CG ARG 13 -4.758 26.441 7.928 1.00 23.93 ATOM 132 CD ARG 13 -5.816 26.614 8.895 1.00 30.93 ATOM 133 NE ARG 13 -7.152 26.987 8.614 1.00 39.79 ATOM 134 CZ ARG 13 -8.051 27.176 9.633 1.00 45.03 ATOM 135 NH1 ARG 13 -7.723 27.047 10.942 1.00 46.14 ATOM 136 NH2 ARG 13 -9.315 27.500 9.300 1.00 46.52 ATOM 137 N CYS 14 -0.576 27.070 10.099 1.00 10.99 ATOM 138 CA CYS 14 0.610 26.500 10.716 1.00 10.78 ATOM 139 C CYS 14 1.431 27.413 11.585 1.00 9.47 ATOM 140 O CYS 14 1.881 27.035 12.687 1.00 10.34 ATOM 141 CB CYS 14 1.475 26.033 9.486 1.00 10.59 ATOM 142 SG CYS 14 0.553 25.035 8.293 1.00 10.19 ATOM 143 N GLN 15 1.562 28.619 11.126 1.00 9.56 ATOM 144 CA GLN 15 2.310 29.705 11.714 1.00 11.18 ATOM 145 C GLN 15 1.968 29.902 13.204 1.00 9.20 ATOM 146 O GLN 15 2.760 30.429 13.944 1.00 6.72 ATOM 147 CB GLN 15 2.023 31.031 10.960 1.00 17.55 ATOM 148 CG GLN 15 3.037 32.101 11.430 1.00 24.30 ATOM 149 CD GLN 15 3.050 33.239 10.419 1.00 28.07 ATOM 150 OE1 GLN 15 1.957 33.692 10.081 1.00 30.55 ATOM 151 NE2 GLN 15 4.251 33.545 9.969 1.00 29.45 ATOM 152 N GLN 16 0.706 29.544 13.510 1.00 8.68 ATOM 153 CA GLN 16 0.264 29.620 14.923 1.00 8.14 ATOM 154 C GLN 16 1.277 28.864 15.797 1.00 7.39 ATOM 155 O GLN 16 1.623 29.313 16.899 1.00 8.11 ATOM 156 CB GLN 16 -1.129 28.956 15.064 1.00 10.07 ATOM 157 CG GLN 16 -1.754 29.161 16.445 1.00 8.36 ATOM 158 CD GLN 16 -2.927 28.257 16.692 1.00 9.90 ATOM 159 OE1 GLN 16 -3.521 27.663 15.788 1.00 12.70 ATOM 160 NE2 GLN 16 -3.350 28.083 17.952 1.00 8.71 ATOM 161 N CYS 17 1.751 27.723 15.248 1.00 4.10 ATOM 162 CA CYS 17 2.639 26.870 16.033 1.00 2.85 ATOM 163 C CYS 17 4.026 26.666 15.504 1.00 4.30 ATOM 164 O CYS 17 4.863 26.129 16.286 1.00 7.49 ATOM 165 CB CYS 17 1.970 25.448 16.109 1.00 2.77 ATOM 166 SG CYS 17 0.360 25.602 16.962 1.00 8.01 ATOM 167 N HIS 18 4.242 27.071 14.287 1.00 6.21 ATOM 168 CA HIS 18 5.562 26.849 13.623 1.00 5.75 ATOM 169 C HIS 18 6.091 28.072 12.890 1.00 5.94 ATOM 170 O HIS 18 5.325 28.903 12.343 1.00 8.15 ATOM 171 CB HIS 18 5.539 25.692 12.583 1.00 5.76 ATOM 172 CG HIS 18 5.189 24.288 12.903 1.00 2.55 ATOM 173 ND1 HIS 18 6.000 23.363 13.510 1.00 4.21 ATOM 174 CD2 HIS 18 3.990 23.668 12.794 1.00 6.18 ATOM 175 CE1 HIS 18 5.327 22.203 13.730 1.00 2.10 ATOM 176 NE2 HIS 18 4.079 22.377 13.295 1.00 6.08 ATOM 177 N THR 19 7.423 28.107 12.868 1.00 3.66 ATOM 178 CA THR 19 8.180 29.121 12.087 1.00 5.14 ATOM 179 C THR 19 8.765 28.303 10.948 1.00 4.67 ATOM 180 O THR 19 8.778 27.079 11.132 1.00 3.50 ATOM 181 CB THR 19 9.348 29.793 12.900 1.00 6.10 ATOM 182 OG1 THR 19 10.261 28.686 13.219 1.00 5.86 ATOM 183 CG2 THR 19 8.879 30.568 14.131 1.00 6.36 ATOM 184 N ILE 20 9.244 28.888 9.861 1.00 8.51 ATOM 185 CA ILE 20 9.740 28.053 8.727 1.00 8.71 ATOM 186 C ILE 20 11.066 28.519 8.145 1.00 8.16 ATOM 187 O ILE 20 11.681 27.792 7.344 1.00 6.98 ATOM 188 CB ILE 20 8.588 28.035 7.597 1.00 11.71 ATOM 189 CG1 ILE 20 8.984 26.983 6.531 1.00 15.94 ATOM 190 CG2 ILE 20 8.365 29.417 6.980 1.00 10.08 ATOM 191 CD1 ILE 20 7.826 26.642 5.533 1.00 19.78 ATOM 192 N GLU 21 11.430 29.700 8.480 1.00 9.67 ATOM 193 CA GLU 21 12.621 30.437 8.083 1.00 12.85 ATOM 194 C GLU 21 13.874 29.796 8.724 1.00 11.42 ATOM 195 O GLU 21 13.820 29.198 9.803 1.00 6.65 ATOM 196 CB GLU 21 12.655 31.874 8.576 1.00 20.13 ATOM 197 CG GLU 21 12.346 33.033 7.629 1.00 29.43 ATOM 198 CD GLU 21 13.267 34.215 7.851 1.00 36.02 ATOM 199 OE1 GLU 21 12.950 35.282 8.374 1.00 37.77 ATOM 200 OE2 GLU 21 14.457 33.929 7.464 1.00 39.35 ATOM 201 N GLU 22 14.935 30.062 7.950 1.00 11.98 ATOM 202 CA GLU 22 16.256 29.563 8.406 1.00 13.78 ATOM 203 C GLU 22 16.560 30.271 9.731 1.00 12.33 ATOM 204 O GLU 22 16.577 31.528 9.786 1.00 12.41 ATOM 205 CB GLU 22 17.246 29.911 7.307 1.00 18.62 ATOM 206 CG GLU 22 18.422 29.011 7.084 1.00 28.02 ATOM 207 CD GLU 22 19.432 28.772 8.150 1.00 34.45 ATOM 208 OE1 GLU 22 19.395 29.614 9.089 1.00 37.46 ATOM 209 OE2 GLU 22 20.254 27.842 8.136 1.00 37.74 ATOM 210 N GLY 23 16.745 29.561 10.824 1.00 10.66 ATOM 211 CA GLY 23 17.065 30.203 12.121 1.00 10.64 ATOM 212 C GLY 23 15.877 30.774 12.864 1.00 9.63 ATOM 213 O GLY 23 16.002 31.618 13.794 1.00 8.46 ATOM 214 N GLY 24 14.691 30.290 12.500 1.00 10.10 ATOM 215 CA GLY 24 13.473 30.807 13.230 1.00 9.17 ATOM 216 C GLY 24 13.417 29.904 14.462 1.00 9.93 ATOM 217 O GLY 24 13.976 28.798 14.389 1.00 8.94 ATOM 218 N PRO 25 12.773 30.403 15.511 1.00 8.66 ATOM 219 CA PRO 25 12.633 29.692 16.754 1.00 6.62 ATOM 220 C PRO 25 11.658 28.553 16.753 1.00 6.63 ATOM 221 O PRO 25 10.631 28.537 16.038 1.00 2.58 ATOM 222 CB PRO 25 12.018 30.800 17.692 1.00 6.59 ATOM 223 CG PRO 25 11.079 31.464 16.670 1.00 7.63 ATOM 224 CD PRO 25 12.184 31.780 15.609 1.00 8.52 ATOM 225 N ASN 26 11.949 27.617 17.658 1.00 7.14 ATOM 226 CA ASN 26 11.023 26.487 17.891 1.00 8.42 ATOM 227 C ASN 26 9.877 27.184 18.721 1.00 10.39 ATOM 228 O ASN 26 10.265 28.111 19.456 1.00 7.67 ATOM 229 CB ASN 26 11.662 25.404 18.741 1.00 8.55 ATOM 230 CG ASN 26 12.603 24.482 18.036 1.00 8.75 ATOM 231 OD1 ASN 26 12.323 24.206 16.854 1.00 9.01 ATOM 232 ND2 ASN 26 13.677 24.027 18.721 1.00 9.60 ATOM 233 N LYS 27 8.658 26.695 18.558 1.00 8.15 ATOM 234 CA LYS 27 7.553 27.355 19.350 1.00 7.12 ATOM 235 C LYS 27 6.691 26.223 19.904 1.00 5.74 ATOM 236 O LYS 27 7.280 25.332 20.555 1.00 2.80 ATOM 237 CB LYS 27 6.828 28.302 18.441 1.00 9.56 ATOM 238 CG LYS 27 7.739 29.214 17.584 1.00 12.80 ATOM 239 CD LYS 27 7.326 30.694 17.759 1.00 14.33 ATOM 240 CE LYS 27 5.974 30.931 17.093 1.00 18.20 ATOM 241 NZ LYS 27 6.214 31.227 15.643 1.00 18.38 ATOM 242 N VAL 28 5.374 26.239 19.688 1.00 6.55 ATOM 243 CA VAL 28 4.579 25.064 20.164 1.00 7.40 ATOM 244 C VAL 28 5.164 23.858 19.371 1.00 8.80 ATOM 245 O VAL 28 5.350 22.815 20.002 1.00 10.45 ATOM 246 CB VAL 28 3.093 25.218 19.958 1.00 7.78 ATOM 247 CG1 VAL 28 2.255 23.957 20.243 1.00 4.36 ATOM 248 CG2 VAL 28 2.523 26.345 20.806 1.00 8.95 ATOM 249 N GLY 29 5.418 24.156 18.070 1.00 8.25 ATOM 250 CA GLY 29 5.987 23.152 17.178 1.00 5.13 ATOM 251 C GLY 29 7.464 23.510 16.894 1.00 4.91 ATOM 252 O GLY 29 7.880 24.645 17.147 1.00 4.16 ATOM 253 N PRO 30 8.151 22.535 16.363 1.00 2.17 ATOM 254 CA PRO 30 9.545 22.725 15.952 1.00 4.52 ATOM 255 C PRO 30 9.626 23.633 14.688 1.00 4.19 ATOM 256 O PRO 30 8.619 23.706 13.975 1.00 3.80 ATOM 257 CB PRO 30 10.016 21.329 15.504 1.00 2.00 ATOM 258 CG PRO 30 8.761 20.535 15.200 1.00 3.58 ATOM 259 CD PRO 30 7.653 21.169 16.055 1.00 4.04 ATOM 260 N ASN 31 10.805 24.241 14.532 1.00 2.94 ATOM 261 CA ASN 31 11.053 25.068 13.330 1.00 4.03 ATOM 262 C ASN 31 11.096 24.047 12.161 1.00 4.43 ATOM 263 O ASN 31 11.525 22.905 12.395 1.00 4.99 ATOM 264 CB ASN 31 12.304 25.953 13.406 1.00 5.31 ATOM 265 CG ASN 31 12.586 26.605 12.038 1.00 5.89 ATOM 266 OD1 ASN 31 13.301 25.932 11.246 1.00 7.54 ATOM 267 ND2 ASN 31 12.056 27.769 11.729 1.00 6.33 ATOM 268 N LEU 32 10.595 24.478 10.992 1.00 4.70 ATOM 269 CA LEU 32 10.519 23.455 9.875 1.00 4.15 ATOM 270 C LEU 32 11.488 23.718 8.735 1.00 4.18 ATOM 271 O LEU 32 11.351 23.041 7.677 1.00 2.00 ATOM 272 CB LEU 32 9.116 23.488 9.287 1.00 2.00 ATOM 273 CG LEU 32 7.886 23.277 10.181 1.00 4.12 ATOM 274 CD1 LEU 32 6.676 23.638 9.299 1.00 2.00 ATOM 275 CD2 LEU 32 7.864 21.877 10.727 1.00 2.00 ATOM 276 N HIS 33 12.313 24.724 8.934 1.00 7.36 ATOM 277 CA HIS 33 13.287 25.016 7.835 1.00 9.27 ATOM 278 C HIS 33 14.085 23.710 7.689 1.00 10.90 ATOM 279 O HIS 33 14.347 22.983 8.705 1.00 11.22 ATOM 280 CB HIS 33 14.190 26.227 8.068 1.00 9.62 ATOM 281 CG HIS 33 14.714 26.810 6.776 1.00 9.98 ATOM 282 ND1 HIS 33 14.049 27.758 6.032 1.00 7.57 ATOM 283 CD2 HIS 33 15.869 26.563 6.102 1.00 10.98 ATOM 284 CE1 HIS 33 14.752 28.081 4.960 1.00 7.55 ATOM 285 NE2 HIS 33 15.857 27.350 4.972 1.00 9.13 ATOM 286 N GLY 34 14.391 23.354 6.476 1.00 7.63 ATOM 287 CA GLY 34 15.122 22.195 6.128 1.00 7.95 ATOM 288 C GLY 34 14.482 20.853 6.345 1.00 10.07 ATOM 289 O GLY 34 15.215 19.843 6.258 1.00 10.06 ATOM 290 N ILE 35 13.183 20.726 6.558 1.00 7.90 ATOM 291 CA ILE 35 12.485 19.491 6.799 1.00 9.84 ATOM 292 C ILE 35 12.521 18.371 5.778 1.00 13.59 ATOM 293 O ILE 35 12.550 17.159 6.201 1.00 11.31 ATOM 294 CB ILE 35 10.967 19.922 7.094 1.00 9.92 ATOM 295 CG1 ILE 35 10.199 18.775 7.712 1.00 11.41 ATOM 296 CG2 ILE 35 10.352 20.574 5.819 1.00 9.55 ATOM 297 CD1 ILE 35 10.697 18.235 9.094 1.00 13.38 ATOM 298 N PHE 36 12.503 18.719 4.477 1.00 13.60 ATOM 299 CA PHE 36 12.495 17.637 3.449 1.00 16.38 ATOM 300 C PHE 36 13.834 16.920 3.318 1.00 17.81 ATOM 301 O PHE 36 13.975 15.961 2.520 1.00 17.90 ATOM 302 CB PHE 36 12.031 18.185 2.085 1.00 17.16 ATOM 303 CG PHE 36 10.634 18.732 2.091 1.00 19.05 ATOM 304 CD1 PHE 36 9.561 17.837 2.009 1.00 20.40 ATOM 305 CD2 PHE 36 10.403 20.090 2.215 1.00 19.43 ATOM 306 CE1 PHE 36 8.238 18.291 2.058 1.00 20.53 ATOM 307 CE2 PHE 36 9.069 20.590 2.236 1.00 20.04 ATOM 308 CZ PHE 36 7.993 19.687 2.138 1.00 18.77 ATOM 309 N GLY 37 14.834 17.399 4.064 1.00 17.09 ATOM 310 CA GLY 37 16.158 16.730 3.949 1.00 17.94 ATOM 311 C GLY 37 16.358 15.911 5.234 1.00 19.15 ATOM 312 O GLY 37 17.438 15.321 5.410 1.00 20.95 ATOM 313 N ARG 38 15.353 15.887 6.089 1.00 16.41 ATOM 314 CA ARG 38 15.382 15.249 7.382 1.00 14.49 ATOM 315 C ARG 38 14.311 14.189 7.608 1.00 15.03 ATOM 316 O ARG 38 13.317 14.042 6.858 1.00 11.99 ATOM 317 CB ARG 38 14.979 16.406 8.388 1.00 14.37 ATOM 318 CG ARG 38 16.127 17.024 9.128 1.00 14.47 ATOM 319 CD ARG 38 15.729 17.487 10.473 1.00 13.97 ATOM 320 NE ARG 38 14.605 18.401 10.468 1.00 15.09 ATOM 321 CZ ARG 38 14.492 19.628 9.945 1.00 17.98 ATOM 322 NH1 ARG 38 13.358 20.352 10.073 1.00 14.82 ATOM 323 NH2 ARG 38 15.515 20.212 9.288 1.00 17.57 ATOM 324 N HIS 39 14.523 13.539 8.765 1.00 12.63 ATOM 325 CA HIS 39 13.554 12.533 9.260 1.00 13.25 ATOM 326 C HIS 39 12.822 13.205 10.443 1.00 13.78 ATOM 327 O HIS 39 13.307 14.203 10.991 1.00 15.62 ATOM 328 CB HIS 39 14.182 11.227 9.738 1.00 12.29 ATOM 329 CG HIS 39 14.806 10.432 8.628 1.00 12.82 ATOM 330 ND1 HIS 39 16.007 10.704 8.054 1.00 12.27 ATOM 331 CD2 HIS 39 14.342 9.296 8.035 1.00 13.90 ATOM 332 CE1 HIS 39 16.257 9.757 7.145 1.00 11.90 ATOM 333 NE2 HIS 39 15.273 8.906 7.099 1.00 11.79 ATOM 334 N SER 40 11.709 12.713 10.880 1.00 13.45 ATOM 335 CA SER 40 10.956 13.225 12.015 1.00 12.78 ATOM 336 C SER 40 11.791 13.162 13.289 1.00 14.49 ATOM 337 O SER 40 12.693 12.330 13.487 1.00 14.05 ATOM 338 CB SER 40 9.647 12.447 12.120 1.00 12.59 ATOM 339 OG SER 40 9.930 11.043 12.340 1.00 9.38 ATOM 340 N GLY 41 11.518 14.096 14.204 1.00 15.01 ATOM 341 CA GLY 41 12.076 14.286 15.489 1.00 14.66 ATOM 342 C GLY 41 13.537 14.543 15.626 1.00 15.54 ATOM 343 O GLY 41 14.189 14.026 16.575 1.00 13.34 ATOM 344 N GLN 42 14.125 15.370 14.776 1.00 18.08 ATOM 345 CA GLN 42 15.568 15.659 14.822 1.00 18.58 ATOM 346 C GLN 42 15.989 17.089 15.085 1.00 17.52 ATOM 347 O GLN 42 17.214 17.383 15.116 1.00 16.40 ATOM 348 CB GLN 42 16.302 15.150 13.589 1.00 22.79 ATOM 349 CG GLN 42 16.970 13.779 13.946 1.00 27.11 ATOM 350 CD GLN 42 16.705 12.999 12.640 1.00 31.32 ATOM 351 OE1 GLN 42 17.425 13.104 11.657 1.00 31.37 ATOM 352 NE2 GLN 42 15.546 12.360 12.712 1.00 33.65 ATOM 353 N VAL 43 14.998 17.950 15.245 1.00 15.48 ATOM 354 CA VAL 43 15.356 19.362 15.522 1.00 14.40 ATOM 355 C VAL 43 15.745 19.343 17.039 1.00 13.72 ATOM 356 O VAL 43 15.039 18.933 17.951 1.00 10.68 ATOM 357 CB VAL 43 14.168 20.282 15.199 1.00 15.28 ATOM 358 CG1 VAL 43 14.354 21.708 15.695 1.00 13.49 ATOM 359 CG2 VAL 43 13.759 20.180 13.725 1.00 14.75 ATOM 360 N LYS 44 16.916 19.888 17.193 1.00 13.42 ATOM 361 CA LYS 44 17.651 20.147 18.382 1.00 13.46 ATOM 362 C LYS 44 16.900 21.175 19.265 1.00 12.95 ATOM 363 O LYS 44 16.468 22.249 18.772 1.00 11.87 ATOM 364 CB LYS 44 19.001 20.805 18.010 1.00 17.73 ATOM 365 CG LYS 44 20.080 20.435 19.040 1.00 21.29 ATOM 366 CD LYS 44 20.849 19.223 18.462 1.00 25.80 ATOM 367 CE LYS 44 22.169 19.126 19.227 1.00 29.14 ATOM 368 NZ LYS 44 21.840 18.794 20.670 1.00 31.75 ATOM 369 N GLY 45 16.726 20.753 20.488 1.00 12.22 ATOM 370 CA GLY 45 16.093 21.514 21.560 1.00 13.14 ATOM 371 C GLY 45 14.584 21.314 21.613 1.00 13.85 ATOM 372 O GLY 45 13.928 21.679 22.632 1.00 13.32 ATOM 373 N TYR 46 14.058 20.756 20.516 1.00 11.88 ATOM 374 CA TYR 46 12.621 20.519 20.476 1.00 11.06 ATOM 375 C TYR 46 12.269 19.219 21.208 1.00 12.35 ATOM 376 O TYR 46 12.865 18.112 20.977 1.00 12.20 ATOM 377 CB TYR 46 12.013 20.594 19.042 1.00 7.32 ATOM 378 CG TYR 46 10.513 20.532 19.265 1.00 5.87 ATOM 379 CD1 TYR 46 9.833 21.686 19.669 1.00 6.98 ATOM 380 CD2 TYR 46 9.817 19.341 19.116 1.00 5.58 ATOM 381 CE1 TYR 46 8.454 21.639 19.897 1.00 5.60 ATOM 382 CE2 TYR 46 8.447 19.292 19.281 1.00 5.55 ATOM 383 CZ TYR 46 7.783 20.434 19.734 1.00 8.51 ATOM 384 OH TYR 46 6.449 20.391 20.019 1.00 6.39 ATOM 385 N SER 47 11.218 19.367 22.039 1.00 10.30 ATOM 386 CA SER 47 10.867 18.119 22.769 1.00 11.55 ATOM 387 C SER 47 9.708 17.491 22.069 1.00 13.03 ATOM 388 O SER 47 8.552 17.954 22.094 1.00 15.86 ATOM 389 CB SER 47 10.919 18.326 24.239 1.00 13.48 ATOM 390 OG SER 47 10.239 19.431 24.713 1.00 16.68 ATOM 391 N TYR 48 10.020 16.424 21.364 1.00 12.11 ATOM 392 CA TYR 48 9.064 15.638 20.627 1.00 13.56 ATOM 393 C TYR 48 8.516 14.493 21.510 1.00 15.44 ATOM 394 O TYR 48 9.139 14.047 22.485 1.00 15.39 ATOM 395 CB TYR 48 9.703 14.892 19.446 1.00 12.20 ATOM 396 CG TYR 48 10.286 15.757 18.378 1.00 12.72 ATOM 397 CD1 TYR 48 9.513 16.215 17.302 1.00 11.66 ATOM 398 CD2 TYR 48 11.648 16.108 18.454 1.00 9.99 ATOM 399 CE1 TYR 48 10.101 16.994 16.274 1.00 11.01 ATOM 400 CE2 TYR 48 12.241 16.903 17.475 1.00 9.54 ATOM 401 CZ TYR 48 11.459 17.352 16.411 1.00 10.33 ATOM 402 OH TYR 48 12.081 18.110 15.468 1.00 6.62 ATOM 403 N THR 49 7.385 14.001 20.976 1.00 15.14 ATOM 404 CA THR 49 6.774 12.832 21.636 1.00 15.63 ATOM 405 C THR 49 7.619 11.619 21.141 1.00 16.66 ATOM 406 O THR 49 8.203 11.721 20.046 1.00 15.06 ATOM 407 CB THR 49 5.295 12.609 21.148 1.00 14.55 ATOM 408 OG1 THR 49 5.453 12.363 19.720 1.00 13.59 ATOM 409 CG2 THR 49 4.339 13.792 21.386 1.00 12.80 ATOM 410 N ASP 50 7.553 10.560 21.926 1.00 15.08 ATOM 411 CA ASP 50 8.208 9.296 21.610 1.00 14.83 ATOM 412 C ASP 50 7.690 8.882 20.226 1.00 13.91 ATOM 413 O ASP 50 8.430 8.488 19.334 1.00 13.38 ATOM 414 CB ASP 50 7.857 8.242 22.676 1.00 18.03 ATOM 415 CG ASP 50 8.566 8.541 23.990 1.00 23.72 ATOM 416 OD1 ASP 50 9.795 8.799 24.066 1.00 26.22 ATOM 417 OD2 ASP 50 7.825 8.587 24.998 1.00 26.38 ATOM 418 N ALA 51 6.396 9.074 20.091 1.00 14.42 ATOM 419 CA ALA 51 5.663 8.777 18.845 1.00 15.66 ATOM 420 C ALA 51 6.328 9.264 17.545 1.00 13.51 ATOM 421 O ALA 51 6.580 8.499 16.588 1.00 10.70 ATOM 422 CB ALA 51 4.291 9.479 19.036 1.00 16.63 ATOM 423 N ASN 52 6.561 10.583 17.516 1.00 12.21 ATOM 424 CA ASN 52 7.165 11.175 16.275 1.00 14.18 ATOM 425 C ASN 52 8.593 10.710 16.134 1.00 14.76 ATOM 426 O ASN 52 9.044 10.417 14.996 1.00 13.53 ATOM 427 CB ASN 52 6.929 12.697 16.253 1.00 13.51 ATOM 428 CG ASN 52 7.782 13.554 15.361 1.00 14.61 ATOM 429 OD1 ASN 52 9.040 13.597 15.469 1.00 15.12 ATOM 430 ND2 ASN 52 7.153 14.341 14.484 1.00 14.56 ATOM 431 N ILE 53 9.309 10.621 17.296 1.00 15.40 ATOM 432 CA ILE 53 10.700 10.193 17.114 1.00 18.00 ATOM 433 C ILE 53 10.746 8.776 16.519 1.00 19.16 ATOM 434 O ILE 53 11.427 8.582 15.500 1.00 18.58 ATOM 435 CB ILE 53 11.662 10.288 18.321 1.00 20.07 ATOM 436 CG1 ILE 53 11.757 11.720 18.870 1.00 20.61 ATOM 437 CG2 ILE 53 13.098 9.735 17.911 1.00 21.77 ATOM 438 CD1 ILE 53 12.539 11.794 20.229 1.00 20.22 ATOM 439 N ASN 54 10.023 7.884 17.180 1.00 19.93 ATOM 440 CA ASN 54 10.046 6.480 16.754 1.00 21.09 ATOM 441 C ASN 54 9.527 6.303 15.342 1.00 20.79 ATOM 442 O ASN 54 10.049 5.444 14.603 1.00 20.79 ATOM 443 CB ASN 54 9.407 5.592 17.833 1.00 23.33 ATOM 444 CG ASN 54 10.335 5.334 19.010 1.00 25.51 ATOM 445 OD1 ASN 54 10.314 6.029 20.044 1.00 26.55 ATOM 446 ND2 ASN 54 11.165 4.281 18.930 1.00 26.14 ATOM 447 N LYS 55 8.546 7.061 14.930 1.00 20.64 ATOM 448 CA LYS 55 8.014 6.917 13.564 1.00 20.90 ATOM 449 C LYS 55 9.108 7.041 12.511 1.00 20.30 ATOM 450 O LYS 55 9.068 6.356 11.445 1.00 19.35 ATOM 451 CB LYS 55 6.811 7.807 13.320 1.00 21.45 ATOM 452 CG LYS 55 6.217 7.588 11.909 1.00 21.69 ATOM 453 CD LYS 55 4.724 7.318 11.948 1.00 20.80 ATOM 454 CE LYS 55 4.213 7.005 10.557 1.00 22.18 ATOM 455 NZ LYS 55 3.186 5.926 10.651 1.00 21.46 ATOM 456 N ASN 56 10.117 7.863 12.764 1.00 18.08 ATOM 457 CA ASN 56 11.237 8.002 11.816 1.00 17.21 ATOM 458 C ASN 56 10.804 8.266 10.368 1.00 16.25 ATOM 459 O ASN 56 11.262 7.587 9.436 1.00 14.05 ATOM 460 CB ASN 56 12.096 6.714 11.938 1.00 15.57 ATOM 461 CG ASN 56 13.509 7.004 11.491 1.00 18.49 ATOM 462 OD1 ASN 56 14.147 6.129 10.883 1.00 21.35 ATOM 463 ND2 ASN 56 14.109 8.182 11.720 1.00 17.95 ATOM 464 N VAL 57 9.913 9.210 10.182 1.00 15.52 ATOM 465 CA VAL 57 9.419 9.584 8.852 1.00 15.39 ATOM 466 C VAL 57 10.488 10.415 8.103 1.00 14.77 ATOM 467 O VAL 57 11.009 11.390 8.618 1.00 13.35 ATOM 468 CB VAL 57 8.100 10.372 8.865 1.00 13.60 ATOM 469 CG1 VAL 57 7.737 10.822 7.432 1.00 15.39 ATOM 470 CG2 VAL 57 6.909 9.688 9.513 1.00 13.82 ATOM 471 N LYS 58 10.713 9.927 6.873 1.00 14.76 ATOM 472 CA LYS 58 11.626 10.666 5.982 1.00 16.59 ATOM 473 C LYS 58 10.604 11.567 5.215 1.00 15.03 ATOM 474 O LYS 58 9.870 10.981 4.428 1.00 13.67 ATOM 475 CB LYS 58 12.427 9.902 4.936 1.00 20.43 ATOM 476 CG LYS 58 13.206 10.724 3.876 1.00 23.36 ATOM 477 CD LYS 58 13.701 12.045 4.391 1.00 26.32 ATOM 478 CE LYS 58 13.940 13.265 3.602 1.00 28.52 ATOM 479 NZ LYS 58 13.477 13.277 2.206 1.00 30.25 ATOM 480 N TRP 59 10.645 12.838 5.510 1.00 14.39 ATOM 481 CA TRP 59 9.730 13.825 4.967 1.00 15.02 ATOM 482 C TRP 59 9.952 14.196 3.532 1.00 15.05 ATOM 483 O TRP 59 10.978 14.750 3.132 1.00 15.50 ATOM 484 CB TRP 59 9.769 15.120 5.824 1.00 14.97 ATOM 485 CG TRP 59 9.383 14.890 7.239 1.00 14.32 ATOM 486 CD1 TRP 59 10.197 14.965 8.351 1.00 11.35 ATOM 487 CD2 TRP 59 8.071 14.579 7.710 1.00 14.25 ATOM 488 NE1 TRP 59 9.440 14.757 9.473 1.00 12.85 ATOM 489 CE2 TRP 59 8.149 14.531 9.132 1.00 12.58 ATOM 490 CE3 TRP 59 6.850 14.346 7.094 1.00 14.70 ATOM 491 CZ2 TRP 59 7.051 14.220 9.907 1.00 13.43 ATOM 492 CZ3 TRP 59 5.740 14.079 7.885 1.00 14.80 ATOM 493 CH2 TRP 59 5.838 13.976 9.279 1.00 13.24 ATOM 494 N ASP 60 8.930 13.941 2.773 1.00 16.99 ATOM 495 CA ASP 60 8.893 14.192 1.312 1.00 18.55 ATOM 496 C ASP 60 7.481 14.746 1.029 1.00 16.66 ATOM 497 O ASP 60 6.615 14.681 1.903 1.00 15.57 ATOM 498 CB ASP 60 9.208 12.887 0.580 1.00 23.27 ATOM 499 CG ASP 60 7.998 11.971 0.424 1.00 29.16 ATOM 500 OD1 ASP 60 7.460 11.331 1.346 1.00 32.03 ATOM 501 OD2 ASP 60 7.511 11.909 -0.730 1.00 33.41 ATOM 502 N GLU 61 7.332 15.230 -0.165 1.00 15.41 ATOM 503 CA GLU 61 6.047 15.761 -0.639 1.00 15.60 ATOM 504 C GLU 61 4.984 14.681 -0.422 1.00 14.59 ATOM 505 O GLU 61 3.842 15.051 -0.139 1.00 14.32 ATOM 506 CB GLU 61 6.059 16.062 -2.165 1.00 17.74 ATOM 507 CG GLU 61 6.941 15.082 -2.977 1.00 22.47 ATOM 508 CD GLU 61 7.151 15.494 -4.407 1.00 22.69 ATOM 509 OE1 GLU 61 6.613 14.884 -5.308 1.00 23.82 ATOM 510 OE2 GLU 61 7.842 16.532 -4.477 1.00 23.64 ATOM 511 N ASP 62 5.386 13.419 -0.512 1.00 14.87 ATOM 512 CA ASP 62 4.395 12.349 -0.331 1.00 16.76 ATOM 513 C ASP 62 4.079 11.992 1.097 1.00 15.67 ATOM 514 O ASP 62 2.894 11.772 1.382 1.00 14.26 ATOM 515 CB ASP 62 4.638 11.121 -1.233 1.00 23.65 ATOM 516 CG ASP 62 4.012 11.468 -2.610 1.00 28.25 ATOM 517 OD1 ASP 62 4.523 12.467 -3.189 1.00 32.96 ATOM 518 OD2 ASP 62 3.041 10.876 -3.075 1.00 29.80 ATOM 519 N SER 63 5.096 11.890 1.943 1.00 14.10 ATOM 520 CA SER 63 4.844 11.602 3.379 1.00 14.46 ATOM 521 C SER 63 4.053 12.787 3.953 1.00 13.08 ATOM 522 O SER 63 3.110 12.675 4.751 1.00 13.48 ATOM 523 CB SER 63 6.156 11.346 4.111 1.00 14.05 ATOM 524 OG SER 63 7.181 12.234 3.556 1.00 15.97 ATOM 525 N MET 64 4.403 13.967 3.466 1.00 12.59 ATOM 526 CA MET 64 3.796 15.226 3.927 1.00 12.44 ATOM 527 C MET 64 2.325 15.313 3.573 1.00 12.68 ATOM 528 O MET 64 1.490 15.717 4.419 1.00 12.78 ATOM 529 CB MET 64 4.709 16.352 3.503 1.00 14.36 ATOM 530 CG MET 64 4.280 17.697 4.009 1.00 16.82 ATOM 531 SD MET 64 4.661 17.751 5.825 1.00 20.65 ATOM 532 CE MET 64 6.463 18.026 5.727 1.00 18.60 ATOM 533 N SER 65 1.935 14.993 2.347 1.00 11.72 ATOM 534 CA SER 65 0.542 15.019 1.925 1.00 12.69 ATOM 535 C SER 65 -0.297 14.081 2.758 1.00 13.53 ATOM 536 O SER 65 -1.459 14.445 3.030 1.00 16.24 ATOM 537 CB SER 65 0.310 14.693 0.424 1.00 9.26 ATOM 538 OG SER 65 -1.128 14.976 0.212 1.00 9.91 ATOM 539 N GLU 66 0.231 12.924 3.099 1.00 15.53 ATOM 540 CA GLU 66 -0.520 11.935 3.916 1.00 17.26 ATOM 541 C GLU 66 -0.635 12.378 5.366 1.00 15.62 ATOM 542 O GLU 66 -1.660 12.195 6.034 1.00 14.71 ATOM 543 CB GLU 66 0.066 10.526 3.829 1.00 20.59 ATOM 544 CG GLU 66 -0.202 9.488 4.890 1.00 24.31 ATOM 545 CD GLU 66 -1.159 8.395 4.561 1.00 28.83 ATOM 546 OE1 GLU 66 -2.259 8.623 4.013 1.00 31.25 ATOM 547 OE2 GLU 66 -0.776 7.256 4.934 1.00 27.75 ATOM 548 N TYR 67 0.450 12.944 5.875 1.00 15.80 ATOM 549 CA TYR 67 0.503 13.425 7.282 1.00 14.13 ATOM 550 C TYR 67 -0.521 14.512 7.524 1.00 12.45 ATOM 551 O TYR 67 -1.284 14.506 8.542 1.00 12.69 ATOM 552 CB TYR 67 1.936 13.878 7.636 1.00 14.35 ATOM 553 CG TYR 67 2.088 14.408 9.050 1.00 14.37 ATOM 554 CD1 TYR 67 2.008 13.552 10.157 1.00 15.32 ATOM 555 CD2 TYR 67 2.331 15.777 9.307 1.00 12.98 ATOM 556 CE1 TYR 67 2.141 14.035 11.462 1.00 13.41 ATOM 557 CE2 TYR 67 2.494 16.245 10.608 1.00 12.05 ATOM 558 CZ TYR 67 2.405 15.380 11.686 1.00 12.28 ATOM 559 OH TYR 67 2.571 15.820 12.993 1.00 9.98 ATOM 560 N LEU 68 -0.508 15.504 6.668 1.00 8.82 ATOM 561 CA LEU 68 -1.456 16.626 6.791 1.00 9.19 ATOM 562 C LEU 68 -2.886 16.195 6.523 1.00 9.80 ATOM 563 O LEU 68 -3.872 16.886 6.862 1.00 8.45 ATOM 564 CB LEU 68 -0.968 17.786 5.996 1.00 9.90 ATOM 565 CG LEU 68 0.395 18.396 6.230 1.00 7.47 ATOM 566 CD1 LEU 68 0.454 19.659 5.344 1.00 7.36 ATOM 567 CD2 LEU 68 0.579 18.749 7.683 1.00 6.49 ATOM 568 N THR 69 -3.043 14.989 5.948 1.00 11.04 ATOM 569 CA THR 69 -4.455 14.551 5.729 1.00 10.39 ATOM 570 C THR 69 -5.070 14.416 7.129 1.00 10.14 ATOM 571 O THR 69 -6.178 14.899 7.455 1.00 8.25 ATOM 572 CB THR 69 -4.488 13.283 4.809 1.00 9.08 ATOM 573 OG1 THR 69 -4.077 13.753 3.470 1.00 13.32 ATOM 574 CG2 THR 69 -5.898 12.671 4.704 1.00 7.82 ATOM 575 N ASN 70 -4.294 13.805 8.016 1.00 9.46 ATOM 576 CA ASN 70 -4.714 13.598 9.425 1.00 11.56 ATOM 577 C ASN 70 -3.435 13.118 10.179 1.00 11.24 ATOM 578 O ASN 70 -3.079 11.935 10.116 1.00 10.15 ATOM 579 CB ASN 70 -5.869 12.655 9.661 1.00 13.82 ATOM 580 CG ASN 70 -6.465 12.671 11.075 1.00 15.14 ATOM 581 OD1 ASN 70 -5.791 12.365 12.061 1.00 15.66 ATOM 582 ND2 ASN 70 -7.709 13.111 11.231 1.00 13.95 ATOM 583 N PRO 71 -2.845 14.101 10.864 1.00 10.82 ATOM 584 CA PRO 71 -1.597 13.891 11.591 1.00 9.50 ATOM 585 C PRO 71 -1.594 12.725 12.552 1.00 11.10 ATOM 586 O PRO 71 -0.669 11.872 12.597 1.00 11.28 ATOM 587 CB PRO 71 -1.412 15.245 12.326 1.00 10.19 ATOM 588 CG PRO 71 -2.097 16.255 11.401 1.00 9.09 ATOM 589 CD PRO 71 -3.300 15.531 10.884 1.00 10.34 ATOM 590 N LYS 72 -2.655 12.695 13.377 1.00 9.69 1 ATOM 591 CA LYS 72 -2.718 11.580 14.356 1.00 14.08 1 ATOM 592 C LYS 72 -2.987 10.252 13.700 1.00 13.71 1 ATOM 593 O LYS 72 -2.447 9.193 14.159 1.00 14.84 1 ATOM 594 CB LYS 72 -3.580 11.946 15.565 1.00 12.73 1 ATOM 595 CG LYS 72 -3.129 13.282 16.202 1.00 17.35 1 ATOM 596 CD LYS 72 -4.162 13.805 17.235 1.00 18.26 1 ATOM 597 CE LYS 72 -3.627 15.099 17.903 1.00 18.67 1 ATOM 598 NZ LYS 72 -3.726 14.919 19.371 1.00 21.91 1 ATOM 599 N LYS 73 -3.731 10.180 12.606 1.00 16.01 ATOM 600 CA LYS 73 -3.977 8.862 11.966 1.00 17.35 ATOM 601 C LYS 73 -2.628 8.288 11.509 1.00 17.73 ATOM 602 O LYS 73 -2.355 7.103 11.714 1.00 17.27 ATOM 603 CB LYS 73 -4.948 8.900 10.815 1.00 20.28 ATOM 604 CG LYS 73 -5.496 7.615 10.207 1.00 23.93 ATOM 605 CD LYS 73 -5.501 6.346 11.081 1.00 24.24 ATOM 606 CE LYS 73 -6.331 5.233 10.482 1.00 26.03 ATOM 607 NZ LYS 73 -6.656 4.101 11.382 1.00 24.10 ATOM 608 N TYR 74 -1.801 9.178 11.013 1.00 17.92 ATOM 609 CA TYR 74 -0.447 8.897 10.487 1.00 16.87 ATOM 610 C TYR 74 0.568 8.641 11.590 1.00 15.53 ATOM 611 O TYR 74 1.382 7.711 11.455 1.00 13.46 ATOM 612 CB TYR 74 0.005 10.038 9.545 1.00 16.76 ATOM 613 CG TYR 74 1.235 9.699 8.722 1.00 18.08 ATOM 614 CD1 TYR 74 1.163 8.854 7.611 1.00 17.93 ATOM 615 CD2 TYR 74 2.477 10.261 9.031 1.00 19.63 ATOM 616 CE1 TYR 74 2.281 8.561 6.835 1.00 18.45 ATOM 617 CE2 TYR 74 3.638 9.980 8.280 1.00 20.24 ATOM 618 CZ TYR 74 3.518 9.129 7.191 1.00 21.33 ATOM 619 OH TYR 74 4.656 8.866 6.455 1.00 22.47 ATOM 620 N ILE 75 0.546 9.486 12.627 1.00 13.75 ATOM 621 CA ILE 75 1.431 9.346 13.768 1.00 11.71 ATOM 622 C ILE 75 0.620 9.338 15.080 1.00 9.67 ATOM 623 O ILE 75 0.565 10.310 15.820 1.00 9.34 ATOM 624 CB ILE 75 2.663 10.323 13.844 1.00 11.80 ATOM 625 CG1 ILE 75 3.336 10.498 12.488 1.00 14.39 ATOM 626 CG2 ILE 75 3.662 9.852 14.931 1.00 8.89 ATOM 627 CD1 ILE 75 4.393 11.586 12.330 1.00 12.89 ATOM 628 N PRO 76 0.004 8.201 15.379 1.00 8.23 ATOM 629 CA PRO 76 -0.738 8.017 16.627 1.00 8.13 ATOM 630 C PRO 76 0.173 8.423 17.794 1.00 7.95 ATOM 631 O PRO 76 1.373 8.022 17.781 1.00 8.05 ATOM 632 CB PRO 76 -1.035 6.495 16.629 1.00 8.54 ATOM 633 CG PRO 76 -1.180 6.200 15.125 1.00 9.51 ATOM 634 CD PRO 76 0.062 6.953 14.565 1.00 10.73 ATOM 635 N GLY 77 -0.343 9.157 18.760 1.00 8.93 ATOM 636 CA GLY 77 0.475 9.557 19.920 1.00 9.90 ATOM 637 C GLY 77 1.055 10.965 19.707 1.00 9.33 ATOM 638 O GLY 77 1.368 11.694 20.681 1.00 7.90 ATOM 639 N THR 78 1.149 11.387 18.450 1.00 7.46 ATOM 640 CA THR 78 1.651 12.710 18.180 1.00 5.80 ATOM 641 C THR 78 0.884 13.792 18.908 1.00 7.05 ATOM 642 O THR 78 -0.355 13.687 18.926 1.00 7.86 ATOM 643 CB THR 78 1.653 13.052 16.618 1.00 8.37 ATOM 644 OG1 THR 78 2.549 14.202 16.641 1.00 2.84 ATOM 645 CG2 THR 78 0.276 13.275 15.976 1.00 2.46 ATOM 646 N LYS 79 1.608 14.803 19.393 1.00 8.15 ATOM 647 CA LYS 79 1.001 15.906 20.108 1.00 10.47 ATOM 648 C LYS 79 0.659 17.078 19.178 1.00 11.14 ATOM 649 O LYS 79 0.160 18.101 19.714 1.00 13.45 ATOM 650 CB LYS 79 1.701 16.342 21.412 1.00 12.07 ATOM 651 CG LYS 79 3.080 16.974 21.127 1.00 11.97 ATOM 652 CD LYS 79 3.638 17.776 22.317 1.00 11.77 ATOM 653 CE LYS 79 5.165 17.860 22.172 1.00 12.87 ATOM 654 NZ LYS 79 5.854 18.825 23.048 1.00 11.91 ATOM 655 N MET 80 0.820 16.900 17.846 1.00 8.20 ATOM 656 CA MET 80 0.387 18.049 16.994 1.00 5.60 ATOM 657 C MET 80 -1.146 18.041 17.002 1.00 4.56 ATOM 658 O MET 80 -1.707 17.051 16.516 1.00 2.00 ATOM 659 CB MET 80 0.924 17.942 15.587 1.00 2.16 ATOM 660 CG MET 80 0.429 19.007 14.676 1.00 4.75 ATOM 661 SD MET 80 1.387 18.924 13.085 1.00 6.88 ATOM 662 CE MET 80 0.101 19.434 11.956 1.00 5.40 ATOM 663 N ALA 81 -1.716 19.094 17.507 1.00 3.98 ATOM 664 CA ALA 81 -3.160 19.264 17.580 1.00 7.32 ATOM 665 C ALA 81 -3.737 20.015 16.376 1.00 12.26 ATOM 666 O ALA 81 -4.179 21.193 16.452 1.00 13.20 ATOM 667 CB ALA 81 -3.577 19.921 18.862 1.00 2.00 ATOM 668 N PHE 82 -3.808 19.309 15.265 1.00 15.45 ATOM 669 CA PHE 82 -4.381 19.916 14.004 1.00 15.78 ATOM 670 C PHE 82 -5.221 18.796 13.410 1.00 18.45 ATOM 671 O PHE 82 -4.739 17.638 13.392 1.00 18.60 ATOM 672 CB PHE 82 -3.287 20.505 13.168 1.00 14.89 ATOM 673 CG PHE 82 -3.639 21.013 11.804 1.00 14.94 ATOM 674 CD1 PHE 82 -4.233 22.223 11.586 1.00 14.43 ATOM 675 CD2 PHE 82 -3.374 20.197 10.689 1.00 16.96 ATOM 676 CE1 PHE 82 -4.566 22.654 10.306 1.00 14.16 ATOM 677 CE2 PHE 82 -3.651 20.625 9.384 1.00 14.16 ATOM 678 CZ PHE 82 -4.261 21.856 9.192 1.00 13.93 ATOM 679 N GLY 83 -6.452 19.111 12.989 1.00 19.75 ATOM 680 CA GLY 83 -7.336 18.049 12.441 1.00 19.75 ATOM 681 C GLY 83 -6.796 17.533 11.116 1.00 21.83 ATOM 682 O GLY 83 -6.903 16.328 10.808 1.00 22.05 ATOM 683 N GLY 84 -6.258 18.451 10.296 1.00 20.67 ATOM 684 CA GLY 84 -5.731 18.027 8.969 1.00 18.28 ATOM 685 C GLY 84 -6.311 18.933 7.871 1.00 17.94 ATOM 686 O GLY 84 -7.127 19.820 8.141 1.00 17.44 ATOM 687 N LEU 85 -5.857 18.743 6.668 1.00 16.60 ATOM 688 CA LEU 85 -6.258 19.461 5.446 1.00 15.72 ATOM 689 C LEU 85 -6.865 18.326 4.567 1.00 14.93 ATOM 690 O LEU 85 -6.108 17.528 4.034 1.00 14.01 ATOM 691 CB LEU 85 -5.050 20.078 4.741 1.00 14.19 ATOM 692 CG LEU 85 -4.736 21.524 5.118 1.00 14.26 ATOM 693 CD1 LEU 85 -3.321 21.778 4.650 1.00 16.65 ATOM 694 CD2 LEU 85 -5.752 22.464 4.508 1.00 10.17 ATOM 695 N LYS 86 -8.168 18.380 4.522 1.00 14.21 ATOM 696 CA LYS 86 -8.908 17.342 3.790 1.00 18.01 ATOM 697 C LYS 86 -8.780 17.370 2.314 1.00 16.50 ATOM 698 O LYS 86 -8.774 16.267 1.717 1.00 16.54 ATOM 699 CB LYS 86 -10.348 17.284 4.339 1.00 21.71 ATOM 700 CG LYS 86 -10.292 17.181 5.898 1.00 27.06 ATOM 701 CD LYS 86 -9.361 16.037 6.329 1.00 30.82 ATOM 702 CE LYS 86 -8.484 16.398 7.507 1.00 34.64 ATOM 703 NZ LYS 86 -8.483 15.205 8.475 1.00 36.32 ATOM 704 N LYS 87 -8.605 18.549 1.724 1.00 15.45 ATOM 705 CA LYS 87 -8.493 18.638 0.270 1.00 15.14 ATOM 706 C LYS 87 -7.035 18.583 -0.195 1.00 14.06 ATOM 707 O LYS 87 -6.185 19.321 0.322 1.00 12.11 ATOM 708 CB LYS 87 -9.136 19.919 -0.239 1.00 19.88 ATOM 709 CG LYS 87 -10.642 19.734 -0.428 1.00 23.68 ATOM 710 CD LYS 87 -11.456 20.620 0.428 1.00 27.60 ATOM 711 CE LYS 87 -12.924 20.668 -0.002 1.00 29.70 ATOM 712 NZ LYS 87 -13.516 21.816 0.754 1.00 33.99 ATOM 713 N GLU 88 -6.891 17.721 -1.192 1.00 13.08 ATOM 714 CA GLU 88 -5.624 17.485 -1.930 1.00 12.37 ATOM 715 C GLU 88 -5.138 18.835 -2.479 1.00 11.73 ATOM 716 O GLU 88 -3.990 19.301 -2.324 1.00 8.55 ATOM 717 CB GLU 88 -5.937 16.585 -3.128 1.00 14.88 ATOM 718 CG GLU 88 -4.846 15.809 -3.845 1.00 17.75 ATOM 719 CD GLU 88 -5.230 15.201 -5.172 1.00 20.45 ATOM 720 OE1 GLU 88 -6.304 14.742 -5.508 1.00 20.62 ATOM 721 OE2 GLU 88 -4.282 15.223 -5.998 1.00 23.21 ATOM 722 N LYS 89 -6.126 19.499 -3.111 1.00 11.47 ATOM 723 CA LYS 89 -5.842 20.823 -3.716 1.00 11.77 ATOM 724 C LYS 89 -5.133 21.657 -2.659 1.00 11.08 ATOM 725 O LYS 89 -4.172 22.316 -2.973 1.00 12.20 ATOM 726 CB LYS 89 -7.075 21.524 -4.237 1.00 14.44 ATOM 727 CG LYS 89 -7.130 23.044 -3.956 1.00 20.96 ATOM 728 CD LYS 89 -6.398 23.870 -4.982 1.00 26.27 ATOM 729 CE LYS 89 -4.923 23.718 -5.191 1.00 28.04 ATOM 730 NZ LYS 89 -4.569 23.657 -6.640 1.00 27.31 ATOM 731 N ASP 90 -5.701 21.629 -1.450 1.00 11.74 ATOM 732 CA ASP 90 -5.201 22.408 -0.314 1.00 9.85 ATOM 733 C ASP 90 -3.791 21.997 0.132 1.00 9.05 ATOM 734 O ASP 90 -2.960 22.872 0.522 1.00 4.86 ATOM 735 CB ASP 90 -6.166 22.311 0.863 1.00 15.55 ATOM 736 CG ASP 90 -7.253 23.359 0.837 1.00 17.94 ATOM 737 OD1 ASP 90 -7.110 24.296 0.014 1.00 17.57 ATOM 738 OD2 ASP 90 -8.222 23.262 1.594 1.00 20.41 ATOM 739 N ARG 91 -3.646 20.690 0.065 1.00 6.37 ATOM 740 CA ARG 91 -2.346 20.131 0.522 1.00 8.04 ATOM 741 C ARG 91 -1.289 20.406 -0.558 1.00 7.95 ATOM 742 O ARG 91 -0.099 20.558 -0.195 1.00 7.80 ATOM 743 CB ARG 91 -2.438 18.667 0.889 1.00 8.56 ATOM 744 CG ARG 91 -3.324 18.241 2.071 1.00 7.62 ATOM 745 CD ARG 91 -3.184 16.766 2.330 1.00 8.42 ATOM 746 NE ARG 91 -3.605 15.850 1.341 1.00 10.88 ATOM 747 CZ ARG 91 -4.734 15.268 0.957 1.00 12.57 ATOM 748 NH1 ARG 91 -5.936 15.395 1.529 1.00 10.80 ATOM 749 NH2 ARG 91 -4.712 14.432 -0.097 1.00 11.80 ATOM 750 N ASN 92 -1.745 20.403 -1.804 1.00 6.86 ATOM 751 CA ASN 92 -0.839 20.624 -2.936 1.00 6.76 ATOM 752 C ASN 92 -0.191 22.013 -2.910 1.00 7.65 ATOM 753 O ASN 92 1.041 22.188 -3.096 1.00 8.65 ATOM 754 CB ASN 92 -1.516 20.284 -4.267 1.00 10.17 ATOM 755 CG ASN 92 -1.677 18.774 -4.487 1.00 7.34 ATOM 756 OD1 ASN 92 -0.919 17.967 -3.924 1.00 12.20 ATOM 757 ND2 ASN 92 -2.638 18.372 -5.293 1.00 8.46 ATOM 758 N ASP 93 -1.025 22.984 -2.662 1.00 8.70 ATOM 759 CA ASP 93 -0.699 24.420 -2.606 1.00 8.72 ATOM 760 C ASP 93 0.320 24.609 -1.478 1.00 9.32 ATOM 761 O ASP 93 1.412 25.204 -1.589 1.00 9.24 ATOM 762 CB ASP 93 -1.980 25.220 -2.433 1.00 7.41 ATOM 763 CG ASP 93 -2.822 25.422 -3.693 1.00 9.66 ATOM 764 OD1 ASP 93 -2.346 25.182 -4.802 1.00 6.89 ATOM 765 OD2 ASP 93 -3.979 25.849 -3.449 1.00 10.00 ATOM 766 N LEU 94 -0.185 24.047 -0.337 1.00 7.42 ATOM 767 CA LEU 94 0.654 24.167 0.876 1.00 5.60 ATOM 768 C LEU 94 1.989 23.474 0.664 1.00 5.36 ATOM 769 O LEU 94 3.012 24.104 0.993 1.00 4.16 ATOM 770 CB LEU 94 -0.145 23.649 2.095 1.00 6.12 ATOM 771 CG LEU 94 0.633 23.644 3.409 1.00 8.33 ATOM 772 CD1 LEU 94 1.420 24.930 3.672 1.00 7.92 ATOM 773 CD2 LEU 94 -0.331 23.327 4.539 1.00 8.42 ATOM 774 N ILE 95 1.976 22.186 0.267 1.00 5.16 ATOM 775 CA ILE 95 3.320 21.531 0.101 1.00 4.36 ATOM 776 C ILE 95 4.143 22.292 -0.925 1.00 6.76 ATOM 777 O ILE 95 5.380 22.319 -0.886 1.00 6.33 ATOM 778 CB ILE 95 3.150 20.011 -0.124 1.00 6.80 ATOM 779 CG1 ILE 95 2.461 19.462 1.195 1.00 6.04 ATOM 780 CG2 ILE 95 4.430 19.197 -0.447 1.00 6.28 ATOM 781 CD1 ILE 95 1.836 18.048 0.895 1.00 9.85 ATOM 782 N THR 96 3.437 22.939 -1.885 1.00 6.41 ATOM 783 CA THR 96 4.155 23.756 -2.877 1.00 7.24 ATOM 784 C THR 96 5.031 24.790 -2.193 1.00 8.56 ATOM 785 O THR 96 6.245 24.932 -2.371 1.00 9.73 ATOM 786 CB THR 96 3.208 24.326 -4.000 1.00 3.04 ATOM 787 OG1 THR 96 2.786 23.038 -4.677 1.00 4.53 ATOM 788 CG2 THR 96 4.026 25.089 -5.091 1.00 2.00 ATOM 789 N TYR 97 4.393 25.621 -1.379 1.00 10.25 ATOM 790 CA TYR 97 4.991 26.662 -0.604 1.00 8.90 ATOM 791 C TYR 97 6.119 26.156 0.318 1.00 10.99 ATOM 792 O TYR 97 7.245 26.764 0.395 1.00 7.32 ATOM 793 CB TYR 97 3.821 27.332 0.199 1.00 11.91 ATOM 794 CG TYR 97 4.445 28.287 1.200 1.00 13.83 ATOM 795 CD1 TYR 97 4.917 29.534 0.727 1.00 14.65 ATOM 796 CD2 TYR 97 4.618 27.922 2.530 1.00 13.22 ATOM 797 CE1 TYR 97 5.559 30.405 1.591 1.00 14.71 ATOM 798 CE2 TYR 97 5.220 28.851 3.397 1.00 13.37 ATOM 799 CZ TYR 97 5.696 30.053 2.928 1.00 14.32 ATOM 800 OH TYR 97 6.359 30.901 3.778 1.00 14.68 ATOM 801 N LEU 98 5.821 25.073 1.041 1.00 10.77 ATOM 802 CA LEU 98 6.731 24.473 2.026 1.00 10.45 ATOM 803 C LEU 98 8.045 24.092 1.404 1.00 13.68 ATOM 804 O LEU 98 9.140 24.365 1.933 1.00 13.07 ATOM 805 CB LEU 98 6.013 23.243 2.633 1.00 12.52 ATOM 806 CG LEU 98 4.936 23.554 3.675 1.00 12.05 ATOM 807 CD1 LEU 98 4.274 22.248 4.202 1.00 15.46 ATOM 808 CD2 LEU 98 5.562 24.325 4.841 1.00 9.04 ATOM 809 N LYS 99 7.889 23.356 0.294 1.00 11.78 ATOM 810 CA LYS 99 9.026 22.891 -0.501 1.00 13.79 ATOM 811 C LYS 99 9.903 24.116 -0.834 1.00 13.74 ATOM 812 O LYS 99 11.121 24.031 -0.680 1.00 13.05 ATOM 813 CB LYS 99 8.524 22.263 -1.841 1.00 16.16 ATOM 814 CG LYS 99 8.262 20.763 -1.704 1.00 20.28 ATOM 815 CD LYS 99 8.511 19.932 -2.918 1.00 22.22 ATOM 816 CE LYS 99 7.506 20.175 -4.008 1.00 26.87 ATOM 817 NZ LYS 99 7.782 19.328 -5.204 1.00 29.77 ATOM 818 N LYS 100 9.280 25.225 -1.297 1.00 12.89 ATOM 819 CA LYS 100 10.066 26.410 -1.598 1.00 13.68 ATOM 820 C LYS 100 10.693 27.096 -0.375 1.00 12.75 ATOM 821 O LYS 100 11.876 27.530 -0.419 1.00 11.44 ATOM 822 CB LYS 100 9.201 27.498 -2.279 1.00 17.13 ATOM 823 CG LYS 100 8.920 27.152 -3.719 1.00 20.14 ATOM 824 CD LYS 100 8.914 28.397 -4.591 1.00 23.44 ATOM 825 CE LYS 100 9.314 28.089 -6.051 1.00 24.70 ATOM 826 NZ LYS 100 8.763 29.227 -6.882 1.00 26.31 ATOM 827 N ALA 101 9.874 27.287 0.630 1.00 10.40 ATOM 828 CA ALA 101 10.189 28.005 1.857 1.00 11.89 ATOM 829 C ALA 101 11.069 27.281 2.837 1.00 12.89 ATOM 830 O ALA 101 11.756 27.892 3.720 1.00 13.70 ATOM 831 CB ALA 101 8.847 28.451 2.502 1.00 10.18 ATOM 832 N CYS 102 11.030 25.955 2.788 1.00 13.22 ATOM 833 CA CYS 102 11.818 25.144 3.710 1.00 14.66 ATOM 834 C CYS 102 13.252 24.938 3.330 1.00 13.99 ATOM 835 O CYS 102 13.954 24.386 4.160 1.00 13.97 ATOM 836 CB CYS 102 11.133 23.731 3.866 1.00 14.29 ATOM 837 SG CYS 102 9.718 24.129 4.993 1.00 17.34 ATOM 838 N GLU 103 13.591 25.288 2.114 1.00 13.18 ATOM 839 CA GLU 103 14.920 25.025 1.581 1.00 12.98 ATOM 840 C GLU 103 15.993 26.045 1.931 1.00 11.98 ATOM 841 O GLU 103 17.154 25.576 1.939 1.00 9.28 ATOM 842 CB GLU 103 14.815 25.027 0.032 1.00 13.08 ATOM 843 CG GLU 103 16.104 24.700 -0.678 1.00 17.77 ATOM 844 CD GLU 103 16.719 23.375 -0.468 1.00 20.56 ATOM 845 OE1 GLU 103 15.877 22.489 -0.236 1.00 22.83 ATOM 846 OE2 GLU 103 17.951 23.197 -0.443 1.00 24.24 ATOM 847 OXT GLU 103 15.673 27.253 2.019 1.00 9.86 TER 848 GLU 103 HETATM 849 CM1 TML 72 -3.425 13.471 19.620 1.00 21.77 1 HETATM 850 CM2 TML 72 -2.813 15.832 20.128 1.00 20.92 1 HETATM 851 CM3 TML 72 -5.102 15.225 19.876 1.00 19.68 1 HETATM 852 FE HEM 104 2.703 20.839 13.254 1.00 6.61 HETATM 853 CHA HEM 104 4.978 18.712 14.403 1.00 7.64 HETATM 854 CHB HEM 104 3.897 20.576 10.091 1.00 6.48 HETATM 855 CHC HEM 104 0.088 22.759 12.059 1.00 6.55 HETATM 856 CHD HEM 104 1.935 21.858 16.464 1.00 5.59 HETATM 857 N A HEM 104 4.199 19.835 12.395 1.00 4.70 HETATM 858 C1A HEM 104 5.006 18.925 13.023 1.00 6.48 HETATM 859 C2A HEM 104 5.801 18.257 12.032 1.00 6.29 HETATM 860 C3A HEM 104 5.508 18.778 10.848 1.00 5.21 HETATM 861 C4A HEM 104 4.483 19.790 11.077 1.00 5.10 HETATM 862 CMA HEM 104 6.024 18.484 9.392 1.00 5.26 HETATM 863 CAA HEM 104 6.846 17.177 12.428 1.00 9.68 HETATM 864 CBA HEM 104 8.303 17.643 12.051 1.00 10.82 HETATM 865 CGA HEM 104 9.432 16.892 12.714 1.00 12.50 HETATM 866 O1A HEM 104 10.512 17.556 12.972 1.00 9.71 HETATM 867 O2A HEM 104 9.159 15.653 12.890 1.00 10.97 HETATM 868 N B HEM 104 2.088 21.498 11.437 1.00 5.41 HETATM 869 C1B HEM 104 2.810 21.400 10.270 1.00 6.61 HETATM 870 C2B HEM 104 2.105 22.117 9.199 1.00 7.23 HETATM 871 C3B HEM 104 1.067 22.723 9.736 1.00 7.48 HETATM 872 C4B HEM 104 1.042 22.325 11.162 1.00 6.23 HETATM 873 CMB HEM 104 2.653 22.125 7.738 1.00 7.77 HETATM 874 CAB HEM 104 -0.051 23.630 9.142 1.00 9.13 HETATM 875 CBB HEM 104 -1.198 23.026 8.324 1.00 8.49 HETATM 876 N C HEM 104 1.300 22.038 14.079 1.00 6.08 HETATM 877 C1C HEM 104 0.339 22.774 13.406 1.00 7.32 HETATM 878 C2C HEM 104 -0.401 23.583 14.342 1.00 7.80 HETATM 879 C3C HEM 104 0.051 23.279 15.584 1.00 7.56 HETATM 880 C4C HEM 104 1.176 22.349 15.427 1.00 7.41 HETATM 881 CMC HEM 104 -1.592 24.488 13.931 1.00 8.56 HETATM 882 CAC HEM 104 -0.342 23.914 16.930 1.00 5.47 HETATM 883 CBC HEM 104 -1.840 23.896 17.259 1.00 5.46 HETATM 884 N D HEM 104 3.345 20.380 15.087 1.00 5.69 HETATM 885 C1D HEM 104 2.859 20.842 16.317 1.00 5.31 HETATM 886 C2D HEM 104 3.413 20.032 17.380 1.00 6.48 HETATM 887 C3D HEM 104 4.264 19.133 16.827 1.00 6.14 HETATM 888 C4D HEM 104 4.241 19.364 15.381 1.00 6.79 HETATM 889 CMD HEM 104 3.093 20.190 18.871 1.00 7.62 HETATM 890 CAD HEM 104 5.174 18.082 17.498 1.00 3.86 HETATM 891 CBD HEM 104 4.657 16.637 17.470 1.00 2.82 HETATM 892 CGD HEM 104 5.328 15.654 18.368 1.00 3.68 HETATM 893 O1D HEM 104 6.481 15.883 18.796 1.00 2.75 HETATM 894 O2D HEM 104 4.665 14.569 18.576 1.00 3.46 HETATM 895 S SO4 105 1.882 31.196 -7.846 1.00 39.93 HETATM 896 O1 SO4 105 2.253 31.464 -6.418 1.00 40.41 HETATM 897 O2 SO4 105 0.400 30.991 -7.949 1.00 40.37 HETATM 898 O3 SO4 105 2.279 32.403 -8.645 1.00 40.78 HETATM 899 O4 SO4 105 2.602 30.004 -8.357 1.00 40.65 HETATM 900 O HOH 106 4.448 14.654 14.299 1.00 2.17 HETATM 901 O HOH 107 14.129 28.652 0.514 1.00 2.00 HETATM 902 O HOH 108 8.696 26.829 15.199 1.00 2.21 HETATM 903 O HOH 109 11.452 20.098 11.784 1.00 7.51 HETATM 904 O HOH 110 -0.498 20.955 19.110 1.00 9.83 HETATM 905 O HOH 111 -3.697 27.178 13.407 1.00 8.52 HETATM 906 O HOH 112 5.496 6.253 16.379 1.00 9.43 HETATM 907 O HOH 113 13.565 27.130 -2.662 1.00 5.61 HETATM 908 O HOH 114 -1.613 29.542 11.862 1.00 6.06 HETATM 909 O HOH 115 7.261 6.007 9.025 1.00 10.30 HETATM 910 O HOH 116 -3.883 16.480 15.429 1.00 9.61 HETATM 911 O HOH 117 -4.697 14.783 13.636 1.00 17.45 HETATM 912 O HOH 118 -3.153 10.229 7.451 1.00 15.49 HETATM 913 O HOH 119 -8.061 20.969 2.753 1.00 17.51 HETATM 914 O HOH 120 1.085 5.537 18.754 1.00 31.36 HETATM 915 O HOH 121 12.020 19.224 -1.271 1.00 15.73 HETATM 916 O HOH 122 12.848 16.796 12.370 1.00 20.90 HETATM 917 O HOH 123 -0.817 15.850 -2.147 1.00 23.75 HETATM 918 O HOH 124 -3.148 25.670 -7.318 1.00 18.76 HETATM 919 O HOH 125 -6.830 21.968 13.267 1.00 20.61 HETATM 920 O HOH 126 -5.717 11.678 -5.044 1.00 23.74 HETATM 921 O HOH 127 14.322 24.886 21.381 1.00 25.12 HETATM 922 O HOH 128 -2.097 4.715 12.420 1.00 30.28 HETATM 923 O HOH 129 6.578 31.573 10.149 1.00 23.94 HETATM 924 O HOH 130 -2.427 7.752 7.094 1.00 27.00 HETATM 925 O HOH 131 12.538 21.614 -0.557 1.00 26.43 HETATM 926 O HOH 132 6.635 21.741 -6.404 1.00 32.44 HETATM 927 O HOH 133 16.722 14.587 1.043 1.00 34.16 HETATM 928 O HOH 134 14.277 10.536 13.751 1.00 30.95 HETATM 929 O HOH 135 3.499 28.710 18.841 1.00 28.02 HETATM 930 O HOH 136 -0.182 12.038 -2.596 1.00 33.16 HETATM 931 O HOH 137 5.414 6.923 7.760 1.00 33.43 HETATM 932 O HOH 138 19.874 16.962 14.542 1.00 35.99 HETATM 933 O HOH 139 17.450 12.662 8.973 1.00 29.01 HETATM 934 O HOH 140 -1.360 11.671 20.374 1.00 36.86 HETATM 935 O HOH 141 17.037 8.788 10.729 1.00 34.06 HETATM 936 O HOH 142 18.446 11.579 7.025 1.00 43.37 HETATM 937 O HOH 143 12.823 26.503 -5.182 1.00 36.62 HETATM 938 O HOH 144 18.018 23.270 2.826 1.00 33.17 HETATM 939 O HOH 145 -2.908 10.228 19.242 1.00 35.95 HETATM 940 O HOH 146 18.126 27.687 3.811 1.00 32.57 HETATM 941 O HOH 147 -8.288 13.326 7.035 1.00 53.64 HETATM 942 O HOH 148 -2.615 12.007 -1.807 1.00 41.46 HETATM 943 O HOH 149 17.149 27.344 11.400 1.00 32.77 HETATM 944 O HOH 150 5.770 26.242 23.102 1.00 28.41 HETATM 945 O HOH 151 11.606 4.602 8.719 1.00 39.56 HETATM 946 O HOH 152 19.281 15.841 16.846 1.00 43.77 HETATM 947 O HOH 153 3.594 9.514 21.834 1.00 41.75 HETATM 948 O HOH 154 0.544 32.526 -10.616 1.00 40.46 HETATM 949 O HOH 155 8.970 12.676 25.367 1.00 41.02 HETATM 950 O HOH 156 15.248 17.656 20.121 1.00 46.14 HETATM 951 O HOH 157 -6.705 28.594 5.956 1.00 50.28 HETATM 952 O HOH 158 5.635 10.303 23.951 1.00 39.76 HETATM 953 O HOH 159 13.481 23.875 -3.155 1.00 46.32 HETATM 954 O HOH 160 12.426 15.511 0.616 1.00 43.82 MASTER 62 2 3 0 0 0 0 6 953 1 0 9 END