PFRMAT TS TARGET T0239 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD For this model we guessed that there would be 3 disulfides (later METHOD confirmed by information found by Alexey Murzin and announced on METHOD FORCASP). METHOD METHOD We tried all 15 possible pairings and built models with constraints METHOD for each. The better models were further optimized. METHOD METHOD We have decided to submit the best model we obtained for each of the METHOD top 4 pairings, sorted by how well they scored on an undertaker cost METHOD function that did not know what pairing was used, but which rewarded METHOD any ssbonds found. METHOD METHOD This is model try30-opt2. METHOD METHOD METHOD REMARK 6 REMARK 6 T0239 model 4 Thu Aug 19 12:49:02 2004 MODEL 4 PARENT 1awc_A 1rmr_A 1g2r_A 1s7o_A 1k78_B REMARK 7 REMARK 7 ALLPARENTS 1awc_A 1rmr_A 1g2r_A 1s7o_A 1k78_B 1dux_C 1jbg_A REMARK 7 ALLPARENTS 1md0_A 2stt_A 1mdm_B ATOM 1 N MET 1 7.613 5.474 -11.495 1.00 0.00 ATOM 2 CA MET 1 7.644 4.410 -10.446 1.00 0.00 ATOM 3 CB MET 1 6.225 4.059 -9.994 1.00 0.00 ATOM 4 CG MET 1 5.506 5.190 -9.274 1.00 0.00 ATOM 5 SD MET 1 6.295 5.635 -7.717 1.00 0.00 ATOM 6 CE MET 1 7.216 7.090 -8.207 1.00 0.00 ATOM 7 O MET 1 8.433 3.056 -12.255 1.00 0.00 ATOM 8 C MET 1 8.308 3.171 -11.029 1.00 0.00 ATOM 9 N LYS 2 8.649 2.216 -10.149 1.00 0.00 ATOM 10 CA LYS 2 9.266 0.991 -10.626 1.00 0.00 ATOM 11 CB LYS 2 9.656 0.108 -9.445 1.00 0.00 ATOM 12 CG LYS 2 10.529 -1.063 -9.868 1.00 0.00 ATOM 13 CD LYS 2 10.844 -1.961 -8.663 1.00 0.00 ATOM 14 CE LYS 2 11.772 -3.107 -9.071 1.00 0.00 ATOM 15 NZ LYS 2 12.457 -3.700 -7.870 1.00 0.00 ATOM 16 O LYS 2 7.178 0.058 -11.357 1.00 0.00 ATOM 17 C LYS 2 8.368 0.246 -11.590 1.00 0.00 ATOM 18 N LYS 3 8.988 -0.160 -12.692 1.00 0.00 ATOM 19 CA LYS 3 8.296 -0.901 -13.748 1.00 0.00 ATOM 20 CB LYS 3 8.490 -2.497 -13.272 1.00 0.00 ATOM 21 CG LYS 3 8.646 -3.611 -14.286 1.00 0.00 ATOM 22 CD LYS 3 9.113 -4.893 -13.603 1.00 0.00 ATOM 23 CE LYS 3 8.070 -5.985 -13.689 1.00 0.00 ATOM 24 NZ LYS 3 8.559 -7.280 -13.103 1.00 0.00 ATOM 25 O LYS 3 6.033 -0.785 -14.561 1.00 0.00 ATOM 26 C LYS 3 7.105 -0.181 -14.333 1.00 0.00 ATOM 27 N HIS 4 7.217 1.102 -14.701 1.00 0.00 ATOM 28 CA HIS 4 6.145 1.816 -15.361 1.00 0.00 ATOM 29 CB HIS 4 5.794 1.106 -16.710 1.00 0.00 ATOM 30 CG HIS 4 6.951 0.969 -17.688 1.00 0.00 ATOM 31 CD2 HIS 4 7.415 -0.229 -18.179 1.00 0.00 ATOM 32 ND1 HIS 4 7.709 1.945 -18.179 1.00 0.00 ATOM 33 CE1 HIS 4 8.612 1.371 -18.938 1.00 0.00 ATOM 34 NE2 HIS 4 8.434 0.071 -18.937 1.00 0.00 ATOM 35 O HIS 4 3.775 1.679 -14.859 1.00 0.00 ATOM 36 C HIS 4 4.920 1.993 -14.470 1.00 0.00 ATOM 37 N ILE 5 5.159 2.361 -13.143 1.00 0.00 ATOM 38 CA ILE 5 4.054 2.472 -12.189 1.00 0.00 ATOM 39 CB ILE 5 4.324 2.102 -10.725 1.00 0.00 ATOM 40 CG1 ILE 5 4.548 0.593 -10.621 1.00 0.00 ATOM 41 CG2 ILE 5 3.170 2.518 -9.831 1.00 0.00 ATOM 42 CD1 ILE 5 5.294 0.219 -9.368 1.00 0.00 ATOM 43 O ILE 5 4.540 4.862 -12.094 1.00 0.00 ATOM 44 C ILE 5 3.706 3.960 -12.219 1.00 0.00 ATOM 45 N ILE 6 2.395 4.168 -12.338 1.00 0.00 ATOM 46 CA ILE 6 1.834 5.512 -12.264 1.00 0.00 ATOM 47 CB ILE 6 1.406 6.010 -13.689 1.00 0.00 ATOM 48 CG1 ILE 6 0.267 5.138 -14.220 1.00 0.00 ATOM 49 CG2 ILE 6 2.612 6.032 -14.616 1.00 0.00 ATOM 50 CD1 ILE 6 -0.269 5.559 -15.580 1.00 0.00 ATOM 51 O ILE 6 -0.064 4.822 -10.963 1.00 0.00 ATOM 52 C ILE 6 0.866 5.624 -11.093 1.00 0.00 ATOM 53 N ILE 7 1.078 6.609 -10.238 1.00 0.00 ATOM 54 CA ILE 7 0.209 6.799 -9.092 1.00 0.00 ATOM 55 CB ILE 7 1.042 6.656 -7.782 1.00 0.00 ATOM 56 CG1 ILE 7 1.835 5.333 -7.785 1.00 0.00 ATOM 57 CG2 ILE 7 0.102 6.791 -6.575 1.00 0.00 ATOM 58 CD1 ILE 7 0.998 4.045 -7.852 1.00 0.00 ATOM 59 O ILE 7 0.243 9.179 -9.410 1.00 0.00 ATOM 60 C ILE 7 -0.440 8.170 -9.219 1.00 0.00 ATOM 61 N LYS 8 -1.830 8.108 -9.075 1.00 0.00 ATOM 62 CA LYS 8 -2.605 9.341 -9.156 1.00 0.00 ATOM 63 CB LYS 8 -4.052 9.091 -9.354 1.00 0.00 ATOM 64 CG LYS 8 -4.866 10.347 -9.608 1.00 0.00 ATOM 65 CD LYS 8 -6.326 10.007 -9.875 1.00 0.00 ATOM 66 CE LYS 8 -7.128 11.259 -10.194 1.00 0.00 ATOM 67 NZ LYS 8 -7.017 12.271 -9.104 1.00 0.00 ATOM 68 O LYS 8 -2.107 11.388 -8.013 1.00 0.00 ATOM 69 C LYS 8 -2.418 10.188 -7.917 1.00 0.00 ATOM 70 N THR 9 -2.583 9.601 -6.749 1.00 0.00 ATOM 71 CA THR 9 -2.483 10.357 -5.505 1.00 0.00 ATOM 72 CB THR 9 -3.523 10.005 -4.444 1.00 0.00 ATOM 73 CG2 THR 9 -3.199 10.737 -3.161 1.00 0.00 ATOM 74 OG1 THR 9 -4.826 10.431 -4.884 1.00 0.00 ATOM 75 O THR 9 -0.769 8.809 -4.842 1.00 0.00 ATOM 76 C THR 9 -1.084 9.991 -4.979 1.00 0.00 ATOM 77 N ILE 10 -0.353 11.009 -4.524 1.00 0.00 ATOM 78 CA ILE 10 0.958 10.738 -3.888 1.00 0.00 ATOM 79 CB ILE 10 2.117 11.283 -4.754 1.00 0.00 ATOM 80 CG1 ILE 10 2.228 10.500 -6.070 1.00 0.00 ATOM 81 CG2 ILE 10 3.419 11.198 -3.973 1.00 0.00 ATOM 82 CD1 ILE 10 2.604 9.042 -5.909 1.00 0.00 ATOM 83 O ILE 10 0.679 12.617 -2.472 1.00 0.00 ATOM 84 C ILE 10 1.042 11.456 -2.544 1.00 0.00 ATOM 85 N PRO 11 1.545 10.770 -1.529 1.00 0.00 ATOM 86 CA PRO 11 1.735 11.424 -0.233 1.00 0.00 ATOM 87 CB PRO 11 2.086 10.222 0.684 1.00 0.00 ATOM 88 CG PRO 11 1.548 9.040 -0.073 1.00 0.00 ATOM 89 CD PRO 11 1.891 9.381 -1.498 1.00 0.00 ATOM 90 O PRO 11 3.697 12.503 -1.087 1.00 0.00 ATOM 91 C PRO 11 2.734 12.569 -0.326 1.00 0.00 ATOM 92 N LYS 12 2.489 13.646 0.414 1.00 0.00 ATOM 93 CA LYS 12 3.383 14.800 0.435 1.00 0.00 ATOM 94 CB LYS 12 2.411 16.042 0.108 1.00 0.00 ATOM 95 CG LYS 12 2.774 16.931 -1.064 1.00 0.00 ATOM 96 CD LYS 12 1.525 17.277 -1.866 1.00 0.00 ATOM 97 CE LYS 12 0.511 16.151 -1.756 1.00 0.00 ATOM 98 NZ LYS 12 -0.514 16.439 -0.714 1.00 0.00 ATOM 99 O LYS 12 5.410 15.522 1.517 1.00 0.00 ATOM 100 C LYS 12 4.443 14.767 1.530 1.00 0.00 ATOM 101 N LYS 13 4.211 13.841 2.541 1.00 0.00 ATOM 102 CA LYS 13 5.148 13.707 3.666 1.00 0.00 ATOM 103 CB LYS 13 4.577 14.448 4.892 1.00 0.00 ATOM 104 CG LYS 13 4.426 15.958 4.715 1.00 0.00 ATOM 105 CD LYS 13 5.769 16.619 4.428 1.00 0.00 ATOM 106 CE LYS 13 5.622 18.120 4.214 1.00 0.00 ATOM 107 NZ LYS 13 5.103 18.813 5.427 1.00 0.00 ATOM 108 O LYS 13 4.664 11.389 3.694 1.00 0.00 ATOM 109 C LYS 13 5.534 12.260 3.815 1.00 0.00 ATOM 110 N GLU 14 6.822 12.000 4.058 1.00 0.00 ATOM 111 CA GLU 14 7.321 10.649 4.175 1.00 0.00 ATOM 112 CB GLU 14 8.858 10.690 4.372 1.00 0.00 ATOM 113 CG GLU 14 9.664 11.250 3.156 1.00 0.00 ATOM 114 CD GLU 14 9.214 12.650 2.634 1.00 0.00 ATOM 115 OE1 GLU 14 9.011 13.586 3.455 1.00 0.00 ATOM 116 OE2 GLU 14 9.095 12.823 1.387 1.00 0.00 ATOM 117 O GLU 14 6.305 8.687 5.096 1.00 0.00 ATOM 118 C GLU 14 6.628 9.861 5.276 1.00 0.00 ATOM 119 N GLU 15 6.419 10.495 6.478 1.00 0.00 ATOM 120 CA GLU 15 5.774 9.830 7.605 1.00 0.00 ATOM 121 CB GLU 15 5.628 10.743 8.787 1.00 0.00 ATOM 122 CG GLU 15 6.917 10.884 9.577 1.00 0.00 ATOM 123 CD GLU 15 6.932 12.110 10.470 1.00 0.00 ATOM 124 OE1 GLU 15 5.912 12.829 10.512 1.00 0.00 ATOM 125 OE2 GLU 15 7.965 12.351 11.129 1.00 0.00 ATOM 126 O GLU 15 3.961 8.267 7.406 1.00 0.00 ATOM 127 C GLU 15 4.391 9.407 7.143 1.00 0.00 ATOM 128 N ILE 16 3.707 10.312 6.445 1.00 0.00 ATOM 129 CA ILE 16 2.363 9.995 5.963 1.00 0.00 ATOM 130 CB ILE 16 1.762 11.222 5.255 1.00 0.00 ATOM 131 CG1 ILE 16 1.503 12.345 6.259 1.00 0.00 ATOM 132 CG2 ILE 16 0.444 10.859 4.586 1.00 0.00 ATOM 133 CD1 ILE 16 1.167 13.673 5.618 1.00 0.00 ATOM 134 O ILE 16 1.592 7.908 5.075 1.00 0.00 ATOM 135 C ILE 16 2.399 8.829 4.998 1.00 0.00 ATOM 136 N ILE 17 3.348 8.868 4.079 1.00 0.00 ATOM 137 CA ILE 17 3.460 7.806 3.116 1.00 0.00 ATOM 138 CB ILE 17 4.593 8.099 2.116 1.00 0.00 ATOM 139 CG1 ILE 17 4.313 9.442 1.436 1.00 0.00 ATOM 140 CG2 ILE 17 4.788 6.941 1.131 1.00 0.00 ATOM 141 CD1 ILE 17 5.270 9.786 0.343 1.00 0.00 ATOM 142 O ILE 17 3.160 5.403 3.397 1.00 0.00 ATOM 143 C ILE 17 3.761 6.430 3.766 1.00 0.00 ATOM 144 N SER 18 4.618 6.412 4.781 1.00 0.00 ATOM 145 CA SER 18 4.952 5.161 5.452 1.00 0.00 ATOM 146 CB SER 18 6.017 5.396 6.524 1.00 0.00 ATOM 147 OG SER 18 7.251 5.782 5.941 1.00 0.00 ATOM 148 O SER 18 3.409 3.375 5.956 1.00 0.00 ATOM 149 C SER 18 3.714 4.559 6.126 1.00 0.00 ATOM 150 N ARG 19 2.964 5.397 6.834 1.00 0.00 ATOM 151 CA ARG 19 1.748 4.963 7.540 1.00 0.00 ATOM 152 CB ARG 19 1.156 6.036 8.381 1.00 0.00 ATOM 153 CG ARG 19 0.820 7.329 7.654 1.00 0.00 ATOM 154 CD ARG 19 0.549 8.451 8.640 1.00 0.00 ATOM 155 NE ARG 19 1.737 8.776 9.425 1.00 0.00 ATOM 156 CZ ARG 19 1.733 9.525 10.524 1.00 0.00 ATOM 157 NH1 ARG 19 0.600 10.036 10.985 1.00 0.00 ATOM 158 NH2 ARG 19 2.867 9.755 11.172 1.00 0.00 ATOM 159 O ARG 19 -0.038 3.515 6.806 1.00 0.00 ATOM 160 C ARG 19 0.600 4.549 6.603 1.00 0.00 ATOM 161 N ASP 20 0.368 5.359 5.569 1.00 0.00 ATOM 162 CA ASP 20 -0.710 5.107 4.617 1.00 0.00 ATOM 163 CB ASP 20 -1.360 6.422 4.182 1.00 0.00 ATOM 164 CG ASP 20 -2.024 7.152 5.335 1.00 0.00 ATOM 165 OD1 ASP 20 -2.761 6.502 6.103 1.00 0.00 ATOM 166 OD2 ASP 20 -1.804 8.376 5.466 1.00 0.00 ATOM 167 O ASP 20 -0.898 4.217 2.413 1.00 0.00 ATOM 168 C ASP 20 -0.159 4.410 3.381 1.00 0.00 ATOM 169 N LEU 21 1.188 4.080 3.249 1.00 0.00 ATOM 170 CA LEU 21 1.741 3.539 2.040 1.00 0.00 ATOM 171 CB LEU 21 3.271 3.555 2.103 1.00 0.00 ATOM 172 CG LEU 21 4.006 3.037 0.865 1.00 0.00 ATOM 173 CD1 LEU 21 3.753 3.944 -0.329 1.00 0.00 ATOM 174 CD2 LEU 21 5.506 2.987 1.112 1.00 0.00 ATOM 175 O LEU 21 1.360 1.283 2.713 1.00 0.00 ATOM 176 C LEU 21 1.337 2.090 1.775 1.00 0.00 ATOM 177 N CYS 22 0.951 1.836 0.522 1.00 0.00 ATOM 178 CA CYS 22 0.663 0.465 0.127 1.00 0.00 ATOM 179 CB CYS 22 -0.843 0.259 -0.042 1.00 0.00 ATOM 180 SG CYS 22 -1.323 -1.425 -0.494 1.00 0.00 ATOM 181 O CYS 22 1.146 0.854 -2.212 1.00 0.00 ATOM 182 C CYS 22 1.366 0.184 -1.198 1.00 0.00 ATOM 183 N ASP 23 2.142 -0.925 -1.197 1.00 0.00 ATOM 184 CA ASP 23 2.872 -1.354 -2.374 1.00 0.00 ATOM 185 CB ASP 23 4.088 -2.170 -1.950 1.00 0.00 ATOM 186 CG ASP 23 4.895 -2.641 -3.143 1.00 0.00 ATOM 187 OD1 ASP 23 4.373 -2.599 -4.277 1.00 0.00 ATOM 188 OD2 ASP 23 6.056 -3.063 -2.942 1.00 0.00 ATOM 189 O ASP 23 1.622 -3.419 -2.522 1.00 0.00 ATOM 190 C ASP 23 2.179 -2.495 -3.127 1.00 0.00 ATOM 191 N CYS 24 2.184 -2.412 -4.607 1.00 0.00 ATOM 192 CA CYS 24 1.577 -3.482 -5.433 1.00 0.00 ATOM 193 CB CYS 24 0.234 -3.021 -6.006 1.00 0.00 ATOM 194 SG CYS 24 -0.618 -4.261 -7.008 1.00 0.00 ATOM 195 O CYS 24 3.110 -2.817 -7.150 1.00 0.00 ATOM 196 C CYS 24 2.566 -3.785 -6.573 1.00 0.00 ATOM 197 N ILE 25 2.865 -5.043 -6.805 1.00 0.00 ATOM 198 CA ILE 25 3.878 -5.417 -7.792 1.00 0.00 ATOM 199 CB ILE 25 5.080 -6.112 -7.118 1.00 0.00 ATOM 200 CG1 ILE 25 5.639 -5.259 -5.967 1.00 0.00 ATOM 201 CG2 ILE 25 6.181 -6.415 -8.109 1.00 0.00 ATOM 202 CD1 ILE 25 6.755 -5.919 -5.199 1.00 0.00 ATOM 203 O ILE 25 2.483 -7.155 -8.618 1.00 0.00 ATOM 204 C ILE 25 3.309 -6.278 -8.890 1.00 0.00 ATOM 205 N TYR 26 3.743 -6.065 -10.103 1.00 0.00 ATOM 206 CA TYR 26 3.453 -6.920 -11.255 1.00 0.00 ATOM 207 CB TYR 26 2.634 -6.157 -12.273 1.00 0.00 ATOM 208 CG TYR 26 3.037 -4.709 -12.433 1.00 0.00 ATOM 209 CD1 TYR 26 2.465 -3.722 -11.641 1.00 0.00 ATOM 210 CD2 TYR 26 3.990 -4.327 -13.375 1.00 0.00 ATOM 211 CE1 TYR 26 2.821 -2.392 -11.773 1.00 0.00 ATOM 212 CE2 TYR 26 4.359 -2.990 -13.518 1.00 0.00 ATOM 213 CZ TYR 26 3.768 -2.029 -12.712 1.00 0.00 ATOM 214 OH TYR 26 4.113 -0.699 -12.827 1.00 0.00 ATOM 215 O TYR 26 5.778 -6.797 -11.801 1.00 0.00 ATOM 216 C TYR 26 4.790 -7.519 -11.640 1.00 0.00 ATOM 217 N TYR 27 4.827 -8.827 -11.976 1.00 0.00 ATOM 218 CA TYR 27 6.036 -9.484 -12.441 1.00 0.00 ATOM 219 CB TYR 27 6.242 -10.853 -11.788 1.00 0.00 ATOM 220 CG TYR 27 6.552 -10.785 -10.311 1.00 0.00 ATOM 221 CD1 TYR 27 5.548 -10.947 -9.364 1.00 0.00 ATOM 222 CD2 TYR 27 7.848 -10.561 -9.866 1.00 0.00 ATOM 223 CE1 TYR 27 5.822 -10.886 -8.012 1.00 0.00 ATOM 224 CE2 TYR 27 8.142 -10.499 -8.517 1.00 0.00 ATOM 225 CZ TYR 27 7.115 -10.663 -7.588 1.00 0.00 ATOM 226 OH TYR 27 7.391 -10.604 -6.243 1.00 0.00 ATOM 227 O TYR 27 4.844 -9.460 -14.581 1.00 0.00 ATOM 228 C TYR 27 5.888 -9.657 -13.945 1.00 0.00 ATOM 229 N TYR 28 7.039 -10.140 -14.593 1.00 0.00 ATOM 230 CA TYR 28 7.037 -10.424 -16.021 1.00 0.00 ATOM 231 CB TYR 28 8.451 -10.753 -16.506 1.00 0.00 ATOM 232 CG TYR 28 9.373 -9.557 -16.558 1.00 0.00 ATOM 233 CD1 TYR 28 10.345 -9.364 -15.584 1.00 0.00 ATOM 234 CD2 TYR 28 9.269 -8.622 -17.580 1.00 0.00 ATOM 235 CE1 TYR 28 11.194 -8.275 -15.624 1.00 0.00 ATOM 236 CE2 TYR 28 10.108 -7.526 -17.635 1.00 0.00 ATOM 237 CZ TYR 28 11.075 -7.357 -16.646 1.00 0.00 ATOM 238 OH TYR 28 11.919 -6.271 -16.690 1.00 0.00 ATOM 239 O TYR 28 5.752 -11.790 -17.592 1.00 0.00 ATOM 240 C TYR 28 6.165 -11.598 -16.440 1.00 0.00 ATOM 241 N ASP 29 5.860 -12.411 -15.416 1.00 0.00 ATOM 242 CA ASP 29 4.995 -13.574 -15.592 1.00 0.00 ATOM 243 CB ASP 29 5.353 -14.698 -14.611 1.00 0.00 ATOM 244 CG ASP 29 5.066 -14.359 -13.148 1.00 0.00 ATOM 245 OD1 ASP 29 4.339 -13.374 -12.854 1.00 0.00 ATOM 246 OD2 ASP 29 5.567 -15.114 -12.290 1.00 0.00 ATOM 247 O ASP 29 2.635 -14.050 -15.499 1.00 0.00 ATOM 248 C ASP 29 3.540 -13.214 -15.481 1.00 0.00 ATOM 249 N ASN 30 3.150 -11.857 -15.432 1.00 0.00 ATOM 250 CA ASN 30 1.771 -11.409 -15.429 1.00 0.00 ATOM 251 CB ASN 30 0.946 -12.208 -16.441 1.00 0.00 ATOM 252 CG ASN 30 1.418 -12.005 -17.868 1.00 0.00 ATOM 253 ND2 ASN 30 1.768 -13.101 -18.534 1.00 0.00 ATOM 254 OD1 ASN 30 1.467 -10.880 -18.362 1.00 0.00 ATOM 255 O ASN 30 -0.141 -11.629 -14.019 1.00 0.00 ATOM 256 C ASN 30 1.083 -11.558 -14.095 1.00 0.00 ATOM 257 N SER 31 1.832 -11.762 -13.025 1.00 0.00 ATOM 258 CA SER 31 1.264 -11.855 -11.678 1.00 0.00 ATOM 259 CB SER 31 1.942 -12.976 -10.887 1.00 0.00 ATOM 260 OG SER 31 1.476 -13.008 -9.548 1.00 0.00 ATOM 261 O SER 31 2.592 -10.050 -10.920 1.00 0.00 ATOM 262 C SER 31 1.477 -10.559 -10.938 1.00 0.00 ATOM 263 N VAL 32 0.424 -10.054 -10.298 1.00 0.00 ATOM 264 CA VAL 32 0.544 -8.851 -9.474 1.00 0.00 ATOM 265 CB VAL 32 -0.414 -7.728 -10.041 1.00 0.00 ATOM 266 CG1 VAL 32 -0.288 -6.439 -9.248 1.00 0.00 ATOM 267 CG2 VAL 32 -0.159 -7.466 -11.518 1.00 0.00 ATOM 268 O VAL 32 -0.524 -9.590 -7.460 1.00 0.00 ATOM 269 C VAL 32 0.498 -9.120 -7.985 1.00 0.00 ATOM 270 N ILE 33 1.612 -8.839 -7.241 1.00 0.00 ATOM 271 CA ILE 33 1.638 -9.057 -5.792 1.00 0.00 ATOM 272 CB ILE 33 2.812 -9.979 -5.419 1.00 0.00 ATOM 273 CG1 ILE 33 2.644 -11.350 -6.076 1.00 0.00 ATOM 274 CG2 ILE 33 2.879 -10.172 -3.911 1.00 0.00 ATOM 275 CD1 ILE 33 3.856 -12.246 -5.940 1.00 0.00 ATOM 276 O ILE 33 2.756 -6.989 -5.383 1.00 0.00 ATOM 277 C ILE 33 1.769 -7.690 -5.129 1.00 0.00 ATOM 278 N CYS 34 0.811 -7.316 -4.285 1.00 0.00 ATOM 279 CA CYS 34 0.903 -6.026 -3.586 1.00 0.00 ATOM 280 CB CYS 34 -0.494 -5.404 -3.580 1.00 0.00 ATOM 281 SG CYS 34 -1.165 -5.060 -5.225 1.00 0.00 ATOM 282 O CYS 34 0.912 -7.055 -1.403 1.00 0.00 ATOM 283 C CYS 34 1.448 -6.253 -2.179 1.00 0.00 ATOM 284 N LYS 35 2.501 -5.551 -1.828 1.00 0.00 ATOM 285 CA LYS 35 3.091 -5.695 -0.500 1.00 0.00 ATOM 286 CB LYS 35 4.643 -5.650 -0.517 1.00 0.00 ATOM 287 CG LYS 35 5.407 -6.109 0.766 1.00 0.00 ATOM 288 CD LYS 35 6.831 -6.509 0.321 1.00 0.00 ATOM 289 CE LYS 35 7.746 -6.863 1.447 1.00 0.00 ATOM 290 NZ LYS 35 7.286 -8.122 2.131 1.00 0.00 ATOM 291 O LYS 35 2.464 -3.521 0.254 1.00 0.00 ATOM 292 C LYS 35 2.481 -4.721 0.499 1.00 0.00 ATOM 293 N PRO 36 2.022 -5.258 1.639 1.00 0.00 ATOM 294 CA PRO 36 1.503 -4.453 2.722 1.00 0.00 ATOM 295 CB PRO 36 1.131 -5.476 3.800 1.00 0.00 ATOM 296 CG PRO 36 0.856 -6.731 3.042 1.00 0.00 ATOM 297 CD PRO 36 1.840 -6.759 1.907 1.00 0.00 ATOM 298 O PRO 36 1.905 -2.732 4.284 1.00 0.00 ATOM 299 C PRO 36 2.420 -3.468 3.421 1.00 0.00 ATOM 300 N ILE 37 3.791 -3.483 3.167 1.00 0.00 ATOM 301 CA ILE 37 4.707 -2.529 3.800 1.00 0.00 ATOM 302 CB ILE 37 6.038 -3.131 4.284 1.00 0.00 ATOM 303 CG1 ILE 37 5.796 -4.086 5.455 1.00 0.00 ATOM 304 CG2 ILE 37 6.985 -2.034 4.744 1.00 0.00 ATOM 305 CD1 ILE 37 7.000 -4.934 5.809 1.00 0.00 ATOM 306 O ILE 37 5.656 -0.355 3.267 1.00 0.00 ATOM 307 C ILE 37 5.106 -1.392 2.870 1.00 0.00 ATOM 308 N GLY 38 4.925 -1.587 1.560 1.00 0.00 ATOM 309 CA GLY 38 5.294 -0.665 0.515 1.00 0.00 ATOM 310 O GLY 38 7.269 0.189 -0.635 1.00 0.00 ATOM 311 C GLY 38 6.775 -0.560 0.216 1.00 0.00 ATOM 312 N PRO 39 7.574 -1.463 0.769 1.00 0.00 ATOM 313 CA PRO 39 9.047 -1.403 0.686 1.00 0.00 ATOM 314 CB PRO 39 9.537 -2.698 1.231 1.00 0.00 ATOM 315 CG PRO 39 8.366 -3.259 1.990 1.00 0.00 ATOM 316 CD PRO 39 7.201 -2.862 1.139 1.00 0.00 ATOM 317 O PRO 39 10.809 -0.879 -0.858 1.00 0.00 ATOM 318 C PRO 39 9.687 -1.361 -0.697 1.00 0.00 ATOM 319 N SER 40 8.974 -1.874 -1.685 1.00 0.00 ATOM 320 CA SER 40 9.519 -1.885 -3.035 1.00 0.00 ATOM 321 CB SER 40 9.295 -3.311 -3.563 1.00 0.00 ATOM 322 OG SER 40 10.120 -4.229 -2.859 1.00 0.00 ATOM 323 O SER 40 7.622 -0.469 -3.484 1.00 0.00 ATOM 324 C SER 40 8.716 -0.879 -3.858 1.00 0.00 ATOM 325 N LYS 41 9.277 -0.446 -4.980 1.00 0.00 ATOM 326 CA LYS 41 8.542 0.479 -5.820 1.00 0.00 ATOM 327 CB LYS 41 10.107 1.489 -5.975 1.00 0.00 ATOM 328 CG LYS 41 9.966 2.917 -6.451 1.00 0.00 ATOM 329 CD LYS 41 11.302 3.493 -6.880 1.00 0.00 ATOM 330 CE LYS 41 11.094 4.802 -7.617 1.00 0.00 ATOM 331 NZ LYS 41 12.324 5.207 -8.338 1.00 0.00 ATOM 332 O LYS 41 7.022 1.594 -7.316 1.00 0.00 ATOM 333 C LYS 41 7.160 0.816 -6.371 1.00 0.00 ATOM 334 N VAL 42 6.136 0.230 -5.761 1.00 0.00 ATOM 335 CA VAL 42 4.759 0.485 -6.165 1.00 0.00 ATOM 336 CB VAL 42 3.942 -0.623 -6.857 1.00 0.00 ATOM 337 CG1 VAL 42 2.756 -0.027 -7.599 1.00 0.00 ATOM 338 CG2 VAL 42 4.805 -1.376 -7.855 1.00 0.00 ATOM 339 O VAL 42 4.100 0.950 -3.903 1.00 0.00 ATOM 340 C VAL 42 4.008 1.267 -5.107 1.00 0.00 ATOM 341 N TYR 43 3.285 2.370 -5.549 1.00 0.00 ATOM 342 CA TYR 43 2.650 3.211 -4.534 1.00 0.00 ATOM 343 CB TYR 43 3.709 4.244 -4.080 1.00 0.00 ATOM 344 CG TYR 43 5.146 3.850 -3.872 1.00 0.00 ATOM 345 CD1 TYR 43 6.036 3.695 -4.926 1.00 0.00 ATOM 346 CD2 TYR 43 5.619 3.646 -2.580 1.00 0.00 ATOM 347 CE1 TYR 43 7.352 3.346 -4.706 1.00 0.00 ATOM 348 CE2 TYR 43 6.940 3.291 -2.358 1.00 0.00 ATOM 349 CZ TYR 43 7.794 3.147 -3.417 1.00 0.00 ATOM 350 OH TYR 43 9.113 2.792 -3.206 1.00 0.00 ATOM 351 O TYR 43 1.146 4.322 -6.020 1.00 0.00 ATOM 352 C TYR 43 1.304 3.785 -4.909 1.00 0.00 ATOM 353 N VAL 44 0.347 3.708 -3.997 1.00 0.00 ATOM 354 CA VAL 44 -0.994 4.249 -4.287 1.00 0.00 ATOM 355 CB VAL 44 -1.996 3.249 -4.711 1.00 0.00 ATOM 356 CG1 VAL 44 -1.647 2.868 -6.157 1.00 0.00 ATOM 357 CG2 VAL 44 -2.053 1.980 -3.856 1.00 0.00 ATOM 358 O VAL 44 -0.440 4.323 -1.926 1.00 0.00 ATOM 359 C VAL 44 -1.173 4.703 -2.835 1.00 0.00 ATOM 360 N SER 45 -2.163 5.600 -2.618 1.00 0.00 ATOM 361 CA SER 45 -2.578 5.896 -1.262 1.00 0.00 ATOM 362 CB SER 45 -3.223 7.309 -1.197 1.00 0.00 ATOM 363 OG SER 45 -2.350 8.333 -1.647 1.00 0.00 ATOM 364 O SER 45 -4.236 4.145 -1.438 1.00 0.00 ATOM 365 C SER 45 -3.418 4.732 -0.713 1.00 0.00 ATOM 366 N THR 46 -3.332 4.546 0.610 1.00 0.00 ATOM 367 CA THR 46 -4.183 3.577 1.317 1.00 0.00 ATOM 368 CB THR 46 -3.577 3.179 2.675 1.00 0.00 ATOM 369 CG2 THR 46 -2.273 2.422 2.472 1.00 0.00 ATOM 370 OG1 THR 46 -3.316 4.356 3.450 1.00 0.00 ATOM 371 O THR 46 -5.830 4.901 2.545 1.00 0.00 ATOM 372 C THR 46 -5.525 4.296 1.511 1.00 0.00 ATOM 373 N SER 47 -6.325 4.289 0.463 1.00 0.00 ATOM 374 CA SER 47 -7.521 5.056 0.313 1.00 0.00 ATOM 375 CB SER 47 -7.259 6.417 -0.335 1.00 0.00 ATOM 376 OG SER 47 -6.591 7.258 0.590 1.00 0.00 ATOM 377 O SER 47 -7.894 3.707 -1.647 1.00 0.00 ATOM 378 C SER 47 -8.368 4.184 -0.606 1.00 0.00 ATOM 379 N LEU 48 -9.719 4.264 -0.419 1.00 0.00 ATOM 380 CA LEU 48 -10.647 3.635 -1.344 1.00 0.00 ATOM 381 CB LEU 48 -12.135 3.503 -0.967 1.00 0.00 ATOM 382 CG LEU 48 -12.327 2.383 0.111 1.00 0.00 ATOM 383 CD1 LEU 48 -13.711 2.613 0.720 1.00 0.00 ATOM 384 CD2 LEU 48 -12.276 1.060 -0.619 1.00 0.00 ATOM 385 O LEU 48 -10.527 3.997 -3.743 1.00 0.00 ATOM 386 C LEU 48 -10.589 4.471 -2.619 1.00 0.00 ATOM 387 N GLU 49 -10.696 5.822 -2.483 1.00 0.00 ATOM 388 CA GLU 49 -10.692 6.771 -3.609 1.00 0.00 ATOM 389 CB GLU 49 -10.829 8.207 -3.100 1.00 0.00 ATOM 390 CG GLU 49 -12.205 8.544 -2.549 1.00 0.00 ATOM 391 CD GLU 49 -12.275 9.943 -1.972 1.00 0.00 ATOM 392 OE1 GLU 49 -11.227 10.620 -1.924 1.00 0.00 ATOM 393 OE2 GLU 49 -13.381 10.365 -1.569 1.00 0.00 ATOM 394 O GLU 49 -9.429 6.685 -5.518 1.00 0.00 ATOM 395 C GLU 49 -9.338 6.550 -4.304 1.00 0.00 ATOM 396 N ASN 50 -8.210 6.502 -3.754 1.00 0.00 ATOM 397 CA ASN 50 -6.999 6.278 -4.548 1.00 0.00 ATOM 398 CB ASN 50 -5.759 6.270 -3.717 1.00 0.00 ATOM 399 CG ASN 50 -4.489 6.199 -4.575 1.00 0.00 ATOM 400 ND2 ASN 50 -4.288 7.168 -5.392 1.00 0.00 ATOM 401 OD1 ASN 50 -3.720 5.187 -4.433 1.00 0.00 ATOM 402 O ASN 50 -6.500 4.850 -6.439 1.00 0.00 ATOM 403 C ASN 50 -7.068 4.958 -5.328 1.00 0.00 ATOM 404 N LEU 51 -7.756 3.918 -4.766 1.00 0.00 ATOM 405 CA LEU 51 -7.903 2.630 -5.448 1.00 0.00 ATOM 406 CB LEU 51 -8.587 1.646 -4.592 1.00 0.00 ATOM 407 CG LEU 51 -8.957 0.309 -5.239 1.00 0.00 ATOM 408 CD1 LEU 51 -7.693 -0.427 -5.663 1.00 0.00 ATOM 409 CD2 LEU 51 -9.755 -0.525 -4.254 1.00 0.00 ATOM 410 O LEU 51 -8.442 2.290 -7.795 1.00 0.00 ATOM 411 C LEU 51 -8.734 2.824 -6.714 1.00 0.00 ATOM 412 N GLU 52 -9.836 3.605 -6.629 1.00 0.00 ATOM 413 CA GLU 52 -10.638 3.861 -7.802 1.00 0.00 ATOM 414 CB GLU 52 -11.890 4.556 -7.616 1.00 0.00 ATOM 415 CG GLU 52 -12.858 3.671 -6.826 1.00 0.00 ATOM 416 CD GLU 52 -14.301 3.914 -7.159 1.00 0.00 ATOM 417 OE1 GLU 52 -14.600 4.927 -7.817 1.00 0.00 ATOM 418 OE2 GLU 52 -15.144 3.083 -6.775 1.00 0.00 ATOM 419 O GLU 52 -9.584 4.310 -9.902 1.00 0.00 ATOM 420 C GLU 52 -9.616 4.537 -8.693 1.00 0.00 ATOM 421 N LYS 53 -8.897 5.351 -8.027 1.00 0.00 ATOM 422 CA LYS 53 -7.844 6.057 -8.742 1.00 0.00 ATOM 423 CB LYS 53 -7.126 7.036 -7.854 1.00 0.00 ATOM 424 CG LYS 53 -7.959 8.267 -7.508 1.00 0.00 ATOM 425 CD LYS 53 -7.229 9.172 -6.526 1.00 0.00 ATOM 426 CE LYS 53 -8.077 10.378 -6.146 1.00 0.00 ATOM 427 NZ LYS 53 -7.477 11.150 -5.016 1.00 0.00 ATOM 428 O LYS 53 -6.267 5.195 -10.318 1.00 0.00 ATOM 429 C LYS 53 -6.885 5.008 -9.257 1.00 0.00 ATOM 430 N CYS 54 -6.593 3.950 -8.491 1.00 0.00 ATOM 431 CA CYS 54 -5.712 2.886 -8.965 1.00 0.00 ATOM 432 CB CYS 54 -5.640 1.752 -7.942 1.00 0.00 ATOM 433 SG CYS 54 -4.778 2.180 -6.412 1.00 0.00 ATOM 434 O CYS 54 -5.468 2.204 -11.259 1.00 0.00 ATOM 435 C CYS 54 -6.238 2.325 -10.281 1.00 0.00 ATOM 436 N LEU 55 -7.551 2.099 -10.364 1.00 0.00 ATOM 437 CA LEU 55 -8.144 1.590 -11.598 1.00 0.00 ATOM 438 CB LEU 55 -9.631 1.121 -11.229 1.00 0.00 ATOM 439 CG LEU 55 -10.509 0.681 -12.409 1.00 0.00 ATOM 440 CD1 LEU 55 -9.868 -0.438 -13.210 1.00 0.00 ATOM 441 CD2 LEU 55 -11.881 0.280 -11.894 1.00 0.00 ATOM 442 O LEU 55 -7.888 2.156 -13.925 1.00 0.00 ATOM 443 C LEU 55 -8.106 2.570 -12.779 1.00 0.00 ATOM 444 N GLN 56 -8.402 3.820 -12.507 1.00 0.00 ATOM 445 CA GLN 56 -8.397 4.837 -13.552 1.00 0.00 ATOM 446 CB GLN 56 -8.795 6.198 -12.978 1.00 0.00 ATOM 447 CG GLN 56 -10.260 6.299 -12.583 1.00 0.00 ATOM 448 CD GLN 56 -10.593 7.619 -11.914 1.00 0.00 ATOM 449 OE1 GLN 56 -9.708 8.437 -11.660 1.00 0.00 ATOM 450 NE2 GLN 56 -11.872 7.832 -11.630 1.00 0.00 ATOM 451 O GLN 56 -6.971 5.165 -15.454 1.00 0.00 ATOM 452 C GLN 56 -7.041 5.033 -14.230 1.00 0.00 ATOM 453 N LEU 57 -5.971 5.059 -13.433 1.00 0.00 ATOM 454 CA LEU 57 -4.617 5.210 -13.968 1.00 0.00 ATOM 455 CB LEU 57 -3.574 5.170 -12.870 1.00 0.00 ATOM 456 CG LEU 57 -3.464 6.436 -12.021 1.00 0.00 ATOM 457 CD1 LEU 57 -2.595 6.173 -10.806 1.00 0.00 ATOM 458 CD2 LEU 57 -2.897 7.569 -12.868 1.00 0.00 ATOM 459 O LEU 57 -3.790 4.284 -16.024 1.00 0.00 ATOM 460 C LEU 57 -4.271 4.068 -14.912 1.00 0.00 ATOM 461 N HIS 58 -4.552 2.841 -14.446 1.00 0.00 ATOM 462 CA HIS 58 -4.221 1.676 -15.289 1.00 0.00 ATOM 463 CB HIS 58 -4.469 0.374 -14.522 1.00 0.00 ATOM 464 CG HIS 58 -3.498 0.135 -13.407 1.00 0.00 ATOM 465 CD2 HIS 58 -3.585 0.043 -11.957 1.00 0.00 ATOM 466 ND1 HIS 58 -2.153 -0.068 -13.622 1.00 0.00 ATOM 467 CE1 HIS 58 -1.542 -0.254 -12.439 1.00 0.00 ATOM 468 NE2 HIS 58 -2.396 -0.188 -11.435 1.00 0.00 ATOM 469 O HIS 58 -4.688 1.260 -17.622 1.00 0.00 ATOM 470 C HIS 58 -5.097 1.674 -16.559 1.00 0.00 ATOM 471 N TYR 59 -6.350 2.070 -16.463 1.00 0.00 ATOM 472 CA TYR 59 -7.252 2.069 -17.636 1.00 0.00 ATOM 473 CB TYR 59 -8.649 2.545 -17.237 1.00 0.00 ATOM 474 CG TYR 59 -9.625 2.614 -18.392 1.00 0.00 ATOM 475 CD1 TYR 59 -10.252 1.468 -18.861 1.00 0.00 ATOM 476 CD2 TYR 59 -9.918 3.824 -19.003 1.00 0.00 ATOM 477 CE1 TYR 59 -11.144 1.519 -19.914 1.00 0.00 ATOM 478 CE2 TYR 59 -10.808 3.897 -20.060 1.00 0.00 ATOM 479 CZ TYR 59 -11.423 2.729 -20.511 1.00 0.00 ATOM 480 OH TYR 59 -12.311 2.783 -21.560 1.00 0.00 ATOM 481 O TYR 59 -6.541 2.617 -19.873 1.00 0.00 ATOM 482 C TYR 59 -6.656 2.992 -18.709 1.00 0.00 ATOM 483 N PHE 60 -6.274 4.156 -18.300 1.00 0.00 ATOM 484 CA PHE 60 -5.695 5.128 -19.226 1.00 0.00 ATOM 485 CB PHE 60 -4.998 6.277 -18.220 1.00 0.00 ATOM 486 CG PHE 60 -4.857 7.668 -18.700 1.00 0.00 ATOM 487 CD1 PHE 60 -5.935 8.470 -18.858 1.00 0.00 ATOM 488 CD2 PHE 60 -3.611 8.154 -19.027 1.00 0.00 ATOM 489 CE1 PHE 60 -5.791 9.771 -19.308 1.00 0.00 ATOM 490 CE2 PHE 60 -3.471 9.420 -19.473 1.00 0.00 ATOM 491 CZ PHE 60 -4.537 10.237 -19.614 1.00 0.00 ATOM 492 O PHE 60 -4.062 5.060 -20.954 1.00 0.00 ATOM 493 C PHE 60 -4.370 4.683 -19.846 1.00 0.00 ATOM 494 N LYS 61 -3.535 4.100 -19.033 1.00 0.00 ATOM 495 CA LYS 61 -2.218 3.655 -19.524 1.00 0.00 ATOM 496 CB LYS 61 -1.470 2.952 -18.396 1.00 0.00 ATOM 497 CG LYS 61 -0.077 2.509 -18.781 1.00 0.00 ATOM 498 CD LYS 61 0.622 1.834 -17.623 1.00 0.00 ATOM 499 CE LYS 61 2.035 1.438 -18.002 1.00 0.00 ATOM 500 NZ LYS 61 2.735 0.782 -16.866 1.00 0.00 ATOM 501 O LYS 61 -1.591 2.762 -21.659 1.00 0.00 ATOM 502 C LYS 61 -2.371 2.708 -20.709 1.00 0.00 ATOM 503 N LYS 62 -3.356 1.821 -20.632 1.00 0.00 ATOM 504 CA LYS 62 -3.603 0.866 -21.705 1.00 0.00 ATOM 505 CB LYS 62 -4.724 -0.088 -21.352 1.00 0.00 ATOM 506 CG LYS 62 -4.369 -1.074 -20.252 1.00 0.00 ATOM 507 CD LYS 62 -5.543 -1.977 -19.924 1.00 0.00 ATOM 508 CE LYS 62 -5.180 -2.972 -18.837 1.00 0.00 ATOM 509 NZ LYS 62 -6.330 -3.833 -18.452 1.00 0.00 ATOM 510 O LYS 62 -3.609 1.316 -24.066 1.00 0.00 ATOM 511 C LYS 62 -4.065 1.605 -22.958 1.00 0.00 ATOM 512 N LEU 63 -5.018 2.540 -22.799 1.00 0.00 ATOM 513 CA LEU 63 -5.516 3.288 -23.946 1.00 0.00 ATOM 514 CB LEU 63 -6.616 4.248 -23.487 1.00 0.00 ATOM 515 CG LEU 63 -7.926 3.606 -23.023 1.00 0.00 ATOM 516 CD1 LEU 63 -8.856 4.654 -22.428 1.00 0.00 ATOM 517 CD2 LEU 63 -8.641 2.943 -24.188 1.00 0.00 ATOM 518 O LEU 63 -4.312 4.079 -25.900 1.00 0.00 ATOM 519 C LEU 63 -4.366 4.011 -24.667 1.00 0.00 ATOM 520 N VAL 64 -3.422 4.618 -23.845 1.00 0.00 ATOM 521 CA VAL 64 -2.315 5.383 -24.427 1.00 0.00 ATOM 522 CB VAL 64 -2.149 6.689 -23.628 1.00 0.00 ATOM 523 CG1 VAL 64 -3.448 7.481 -23.627 1.00 0.00 ATOM 524 CG2 VAL 64 -1.770 6.386 -22.187 1.00 0.00 ATOM 525 O VAL 64 -0.035 5.313 -25.149 1.00 0.00 ATOM 526 C VAL 64 -0.921 4.764 -24.466 1.00 0.00 ATOM 527 N LYS 65 -0.756 3.585 -23.894 1.00 0.00 ATOM 528 CA LYS 65 0.492 2.843 -23.859 1.00 0.00 ATOM 529 CB LYS 65 1.240 3.144 -22.585 1.00 0.00 ATOM 530 CG LYS 65 1.738 4.581 -22.608 1.00 0.00 ATOM 531 CD LYS 65 2.740 4.818 -21.532 1.00 0.00 ATOM 532 CE LYS 65 2.007 5.081 -20.267 1.00 0.00 ATOM 533 NZ LYS 65 2.951 5.072 -19.145 1.00 0.00 ATOM 534 O LYS 65 -1.095 1.041 -24.037 1.00 0.00 ATOM 535 C LYS 65 0.082 1.400 -24.130 1.00 0.00 ATOM 536 N ASN 66 1.164 0.575 -24.440 1.00 0.00 ATOM 537 CA ASN 66 0.940 -0.843 -24.695 1.00 0.00 ATOM 538 CB ASN 66 2.232 -1.612 -24.856 1.00 0.00 ATOM 539 CG ASN 66 1.982 -3.110 -24.943 1.00 0.00 ATOM 540 ND2 ASN 66 2.870 -3.904 -24.345 1.00 0.00 ATOM 541 OD1 ASN 66 1.006 -3.544 -25.552 1.00 0.00 ATOM 542 O ASN 66 0.452 -0.375 -22.422 1.00 0.00 ATOM 543 C ASN 66 0.225 -1.111 -23.385 1.00 0.00 ATOM 544 N ILE 67 -0.589 -2.166 -23.378 1.00 0.00 ATOM 545 CA ILE 67 -1.363 -2.525 -22.214 1.00 0.00 ATOM 546 CB ILE 67 -2.630 -2.639 -23.082 1.00 0.00 ATOM 547 CG1 ILE 67 -2.827 -1.368 -23.908 1.00 0.00 ATOM 548 CG2 ILE 67 -3.858 -2.837 -22.206 1.00 0.00 ATOM 549 CD1 ILE 67 -3.916 -1.481 -24.954 1.00 0.00 ATOM 550 O ILE 67 -1.157 -4.895 -21.949 1.00 0.00 ATOM 551 C ILE 67 -1.109 -3.788 -21.406 1.00 0.00 ATOM 552 N GLU 68 -0.863 -3.632 -20.093 1.00 0.00 ATOM 553 CA GLU 68 -0.663 -4.766 -19.199 1.00 0.00 ATOM 554 CB GLU 68 -0.149 -4.256 -17.868 1.00 0.00 ATOM 555 CG GLU 68 1.246 -3.638 -17.941 1.00 0.00 ATOM 556 CD GLU 68 2.354 -4.595 -18.392 1.00 0.00 ATOM 557 OE1 GLU 68 2.253 -5.815 -18.156 1.00 0.00 ATOM 558 OE2 GLU 68 3.367 -4.110 -18.969 1.00 0.00 ATOM 559 O GLU 68 -3.066 -4.589 -19.150 1.00 0.00 ATOM 560 C GLU 68 -2.059 -5.314 -18.989 1.00 0.00 ATOM 561 N ILE 69 -2.251 -6.539 -18.691 1.00 0.00 ATOM 562 CA ILE 69 -3.553 -7.179 -18.489 1.00 0.00 ATOM 563 CB ILE 69 -3.459 -8.761 -18.597 1.00 0.00 ATOM 564 CG1 ILE 69 -2.628 -9.233 -19.803 1.00 0.00 ATOM 565 CG2 ILE 69 -4.828 -9.443 -18.612 1.00 0.00 ATOM 566 CD1 ILE 69 -2.269 -10.679 -19.848 1.00 0.00 ATOM 567 O ILE 69 -3.981 -6.875 -16.149 1.00 0.00 ATOM 568 C ILE 69 -4.452 -6.913 -17.306 1.00 0.00 ATOM 569 N PHE 70 -5.746 -6.674 -17.815 1.00 0.00 ATOM 570 CA PHE 70 -6.760 -6.385 -16.833 1.00 0.00 ATOM 571 CB PHE 70 -8.132 -6.631 -17.463 1.00 0.00 ATOM 572 CG PHE 70 -9.284 -6.367 -16.534 1.00 0.00 ATOM 573 CD1 PHE 70 -9.743 -5.077 -16.326 1.00 0.00 ATOM 574 CD2 PHE 70 -9.904 -7.406 -15.865 1.00 0.00 ATOM 575 CE1 PHE 70 -10.799 -4.833 -15.471 1.00 0.00 ATOM 576 CE2 PHE 70 -10.963 -7.162 -15.009 1.00 0.00 ATOM 577 CZ PHE 70 -11.411 -5.883 -14.810 1.00 0.00 ATOM 578 O PHE 70 -7.417 -6.689 -14.547 1.00 0.00 ATOM 579 C PHE 70 -6.855 -7.179 -15.532 1.00 0.00 ATOM 580 N ASP 71 -6.324 -8.370 -15.513 1.00 0.00 ATOM 581 CA ASP 71 -6.360 -9.193 -14.302 1.00 0.00 ATOM 582 CB ASP 71 -5.854 -10.613 -14.558 1.00 0.00 ATOM 583 CG ASP 71 -6.886 -11.483 -15.248 1.00 0.00 ATOM 584 OD1 ASP 71 -8.060 -11.065 -15.325 1.00 0.00 ATOM 585 OD2 ASP 71 -6.520 -12.584 -15.709 1.00 0.00 ATOM 586 O ASP 71 -5.876 -8.578 -12.034 1.00 0.00 ATOM 587 C ASP 71 -5.519 -8.544 -13.215 1.00 0.00 ATOM 588 N GLU 72 -4.402 -7.954 -13.637 1.00 0.00 ATOM 589 CA GLU 72 -3.484 -7.290 -12.707 1.00 0.00 ATOM 590 CB GLU 72 -2.243 -6.767 -13.442 1.00 0.00 ATOM 591 CG GLU 72 -1.509 -7.820 -14.254 1.00 0.00 ATOM 592 CD GLU 72 -0.530 -7.211 -15.239 1.00 0.00 ATOM 593 OE1 GLU 72 -0.982 -6.476 -16.148 1.00 0.00 ATOM 594 OE2 GLU 72 0.685 -7.467 -15.106 1.00 0.00 ATOM 595 O GLU 72 -4.086 -5.948 -10.816 1.00 0.00 ATOM 596 C GLU 72 -4.203 -6.134 -12.025 1.00 0.00 ATOM 597 N VAL 73 -4.929 -5.362 -12.806 1.00 0.00 ATOM 598 CA VAL 73 -5.670 -4.241 -12.243 1.00 0.00 ATOM 599 CB VAL 73 -6.469 -3.472 -13.273 1.00 0.00 ATOM 600 CG1 VAL 73 -7.348 -2.432 -12.583 1.00 0.00 ATOM 601 CG2 VAL 73 -5.515 -2.799 -14.243 1.00 0.00 ATOM 602 O VAL 73 -6.781 -4.212 -10.118 1.00 0.00 ATOM 603 C VAL 73 -6.663 -4.764 -11.216 1.00 0.00 ATOM 604 N HIS 74 -7.394 -5.799 -11.588 1.00 0.00 ATOM 605 CA HIS 74 -8.385 -6.413 -10.708 1.00 0.00 ATOM 606 CB HIS 74 -9.205 -7.471 -11.507 1.00 0.00 ATOM 607 CG HIS 74 -10.322 -8.086 -10.720 1.00 0.00 ATOM 608 CD2 HIS 74 -11.343 -7.520 -10.033 1.00 0.00 ATOM 609 ND1 HIS 74 -10.450 -9.447 -10.550 1.00 0.00 ATOM 610 CE1 HIS 74 -11.503 -9.697 -9.789 1.00 0.00 ATOM 611 NE2 HIS 74 -12.062 -8.546 -9.462 1.00 0.00 ATOM 612 O HIS 74 -8.325 -6.881 -8.337 1.00 0.00 ATOM 613 C HIS 74 -7.777 -6.974 -9.444 1.00 0.00 ATOM 614 N ASN 75 -6.567 -7.562 -9.568 1.00 0.00 ATOM 615 CA ASN 75 -5.829 -8.053 -8.420 1.00 0.00 ATOM 616 CB ASN 75 -4.521 -8.713 -8.865 1.00 0.00 ATOM 617 CG ASN 75 -4.746 -10.056 -9.531 1.00 0.00 ATOM 618 ND2 ASN 75 -3.755 -10.512 -10.291 1.00 0.00 ATOM 619 OD1 ASN 75 -5.796 -10.676 -9.363 1.00 0.00 ATOM 620 O ASN 75 -5.501 -6.866 -6.355 1.00 0.00 ATOM 621 C ASN 75 -5.463 -6.829 -7.593 1.00 0.00 ATOM 622 N SER 76 -5.126 -5.693 -8.229 1.00 0.00 ATOM 623 CA SER 76 -4.860 -4.472 -7.491 1.00 0.00 ATOM 624 CB SER 76 -4.361 -3.477 -8.540 1.00 0.00 ATOM 625 OG SER 76 -3.119 -3.886 -9.086 1.00 0.00 ATOM 626 O SER 76 -5.999 -3.408 -5.687 1.00 0.00 ATOM 627 C SER 76 -6.098 -3.925 -6.798 1.00 0.00 ATOM 628 N LYS 77 -7.267 -4.051 -7.429 1.00 0.00 ATOM 629 CA LYS 77 -8.529 -3.588 -6.849 1.00 0.00 ATOM 630 CB LYS 77 -9.683 -3.861 -7.813 1.00 0.00 ATOM 631 CG LYS 77 -11.029 -3.344 -7.334 1.00 0.00 ATOM 632 CD LYS 77 -12.115 -3.587 -8.369 1.00 0.00 ATOM 633 CE LYS 77 -13.470 -3.112 -7.869 1.00 0.00 ATOM 634 NZ LYS 77 -14.549 -3.366 -8.866 1.00 0.00 ATOM 635 O LYS 77 -9.056 -3.261 -4.526 1.00 0.00 ATOM 636 C LYS 77 -8.786 -4.066 -5.412 1.00 0.00 ATOM 637 N PRO 78 -8.753 -5.393 -5.036 1.00 0.00 ATOM 638 CA PRO 78 -9.024 -5.839 -3.665 1.00 0.00 ATOM 639 CB PRO 78 -8.889 -7.367 -3.731 1.00 0.00 ATOM 640 CG PRO 78 -9.198 -7.682 -5.169 1.00 0.00 ATOM 641 CD PRO 78 -8.519 -6.543 -5.946 1.00 0.00 ATOM 642 O PRO 78 -7.967 -5.241 -1.588 1.00 0.00 ATOM 643 C PRO 78 -7.885 -5.277 -2.816 1.00 0.00 ATOM 644 N ASN 79 -6.778 -4.899 -3.578 1.00 0.00 ATOM 645 CA ASN 79 -5.609 -4.377 -2.886 1.00 0.00 ATOM 646 CB ASN 79 -4.328 -4.722 -3.649 1.00 0.00 ATOM 647 CG ASN 79 -3.876 -6.150 -3.410 1.00 0.00 ATOM 648 ND2 ASN 79 -3.104 -6.689 -4.347 1.00 0.00 ATOM 649 OD1 ASN 79 -4.216 -6.758 -2.394 1.00 0.00 ATOM 650 O ASN 79 -5.141 -2.868 -1.047 1.00 0.00 ATOM 651 C ASN 79 -5.446 -2.998 -2.247 1.00 0.00 ATOM 652 N CYS 80 -5.676 -1.937 -3.021 1.00 0.00 ATOM 653 CA CYS 80 -5.636 -0.575 -2.514 1.00 0.00 ATOM 654 CB CYS 80 -5.775 0.637 -3.585 1.00 0.00 ATOM 655 SG CYS 80 -4.417 1.007 -4.794 1.00 0.00 ATOM 656 O CYS 80 -6.629 -0.208 -0.340 1.00 0.00 ATOM 657 C CYS 80 -6.771 -0.698 -1.510 1.00 0.00 ATOM 658 N ASP 81 -7.889 -1.325 -1.903 1.00 0.00 ATOM 659 CA ASP 81 -9.044 -1.471 -1.012 1.00 0.00 ATOM 660 CB ASP 81 -10.001 -2.712 -1.541 1.00 0.00 ATOM 661 CG ASP 81 -11.451 -2.775 -1.140 1.00 0.00 ATOM 662 OD1 ASP 81 -11.983 -2.026 -0.292 1.00 0.00 ATOM 663 OD2 ASP 81 -12.206 -3.641 -1.641 1.00 0.00 ATOM 664 O ASP 81 -9.037 -2.008 1.334 1.00 0.00 ATOM 665 C ASP 81 -8.660 -2.334 0.199 1.00 0.00 ATOM 666 N LYS 82 -7.951 -3.435 -0.059 1.00 0.00 ATOM 667 CA LYS 82 -7.525 -4.345 1.032 1.00 0.00 ATOM 668 CB LYS 82 -6.287 -5.331 0.505 1.00 0.00 ATOM 669 CG LYS 82 -6.258 -6.727 1.174 1.00 0.00 ATOM 670 CD LYS 82 -5.050 -7.544 0.792 1.00 0.00 ATOM 671 CE LYS 82 -5.066 -8.926 1.410 1.00 0.00 ATOM 672 NZ LYS 82 -5.829 -9.876 0.568 1.00 0.00 ATOM 673 O LYS 82 -6.700 -3.651 3.207 1.00 0.00 ATOM 674 C LYS 82 -6.561 -3.593 1.976 1.00 0.00 ATOM 675 N CYS 83 -5.619 -2.838 1.430 1.00 0.00 ATOM 676 CA CYS 83 -4.690 -2.071 2.268 1.00 0.00 ATOM 677 CB CYS 83 -3.580 -1.444 1.421 1.00 0.00 ATOM 678 SG CYS 83 -2.410 -2.632 0.724 1.00 0.00 ATOM 679 O CYS 83 -5.146 -0.739 4.209 1.00 0.00 ATOM 680 C CYS 83 -5.393 -0.943 3.021 1.00 0.00 ATOM 681 N LEU 84 -6.423 -0.177 2.454 1.00 0.00 ATOM 682 CA LEU 84 -7.127 0.824 3.218 1.00 0.00 ATOM 683 CB LEU 84 -6.935 2.080 3.258 1.00 0.00 ATOM 684 CG LEU 84 -8.036 2.959 3.860 1.00 0.00 ATOM 685 CD1 LEU 84 -7.402 4.145 4.593 1.00 0.00 ATOM 686 CD2 LEU 84 -8.989 3.442 2.772 1.00 0.00 ATOM 687 O LEU 84 -9.184 0.349 2.079 1.00 0.00 ATOM 688 C LEU 84 -8.602 0.463 3.166 1.00 0.00 ATOM 689 N ILE 85 -9.216 0.486 4.271 1.00 0.00 ATOM 690 CA ILE 85 -10.644 0.292 4.274 1.00 0.00 ATOM 691 CB ILE 85 -11.069 -0.901 5.172 1.00 0.00 ATOM 692 CG1 ILE 85 -10.447 -2.195 4.637 1.00 0.00 ATOM 693 CG2 ILE 85 -12.601 -1.017 5.216 1.00 0.00 ATOM 694 CD1 ILE 85 -10.655 -3.392 5.543 1.00 0.00 ATOM 695 O ILE 85 -10.972 2.080 5.867 1.00 0.00 ATOM 696 C ILE 85 -11.331 1.553 4.801 1.00 0.00 ATOM 697 N VAL 86 -12.306 2.054 4.057 1.00 0.00 ATOM 698 CA VAL 86 -13.026 3.243 4.477 1.00 0.00 ATOM 699 CB VAL 86 -13.313 4.162 3.303 1.00 0.00 ATOM 700 CG1 VAL 86 -14.145 5.385 3.716 1.00 0.00 ATOM 701 CG2 VAL 86 -12.011 4.632 2.686 1.00 0.00 ATOM 702 O VAL 86 -14.995 1.890 4.702 1.00 0.00 ATOM 703 C VAL 86 -14.333 2.834 5.152 1.00 0.00 ATOM 704 N GLU 87 -14.563 3.383 6.315 1.00 0.00 ATOM 705 CA GLU 87 -15.789 3.075 7.032 1.00 0.00 ATOM 706 CB GLU 87 -15.471 2.466 8.401 1.00 0.00 ATOM 707 CG GLU 87 -16.700 2.095 9.215 1.00 0.00 ATOM 708 CD GLU 87 -16.347 1.465 10.547 1.00 0.00 ATOM 709 OE1 GLU 87 -15.140 1.372 10.859 1.00 0.00 ATOM 710 OE2 GLU 87 -17.276 1.060 11.278 1.00 0.00 ATOM 711 O GLU 87 -16.041 5.355 7.720 1.00 0.00 ATOM 712 C GLU 87 -16.575 4.378 7.189 1.00 0.00 ATOM 713 N ILE 88 -17.810 4.375 6.710 1.00 0.00 ATOM 714 CA ILE 88 -18.678 5.558 6.810 1.00 0.00 ATOM 715 CB ILE 88 -18.606 6.360 5.470 1.00 0.00 ATOM 716 CG1 ILE 88 -17.193 6.889 5.153 1.00 0.00 ATOM 717 CG2 ILE 88 -19.677 7.422 5.462 1.00 0.00 ATOM 718 CD1 ILE 88 -16.942 7.236 3.693 1.00 0.00 ATOM 719 O ILE 88 -20.726 4.333 6.614 1.00 0.00 ATOM 720 C ILE 88 -20.048 5.114 7.293 1.00 0.00 ATOM 721 N GLY 89 -20.514 5.620 8.421 1.00 0.00 ATOM 722 CA GLY 89 -21.825 5.244 8.939 1.00 0.00 ATOM 723 O GLY 89 -23.179 3.280 8.802 1.00 0.00 ATOM 724 C GLY 89 -22.064 3.758 9.006 1.00 0.00 ATOM 725 N GLY 90 -21.022 2.915 9.398 1.00 0.00 ATOM 726 CA GLY 90 -21.206 1.474 9.547 1.00 0.00 ATOM 727 O GLY 90 -20.872 -0.518 8.292 1.00 0.00 ATOM 728 C GLY 90 -20.986 0.705 8.258 1.00 0.00 ATOM 729 N VAL 91 -20.843 1.402 7.141 1.00 0.00 ATOM 730 CA VAL 91 -20.579 0.741 5.865 1.00 0.00 ATOM 731 CB VAL 91 -21.849 0.658 4.999 1.00 0.00 ATOM 732 CG1 VAL 91 -22.911 -0.181 5.693 1.00 0.00 ATOM 733 CG2 VAL 91 -22.420 2.046 4.753 1.00 0.00 ATOM 734 O VAL 91 -19.401 2.714 5.194 1.00 0.00 ATOM 735 C VAL 91 -19.522 1.529 5.099 1.00 0.00 ATOM 736 N TYR 92 -18.833 0.797 4.215 1.00 0.00 ATOM 737 CA TYR 92 -17.817 1.428 3.387 1.00 0.00 ATOM 738 CB TYR 92 -16.651 0.435 3.042 1.00 0.00 ATOM 739 CG TYR 92 -17.176 -0.720 2.242 1.00 0.00 ATOM 740 CD1 TYR 92 -17.317 -0.645 0.865 1.00 0.00 ATOM 741 CD2 TYR 92 -17.596 -1.881 2.877 1.00 0.00 ATOM 742 CE1 TYR 92 -17.861 -1.692 0.141 1.00 0.00 ATOM 743 CE2 TYR 92 -18.138 -2.940 2.155 1.00 0.00 ATOM 744 CZ TYR 92 -18.288 -2.822 0.804 1.00 0.00 ATOM 745 OH TYR 92 -18.848 -3.872 0.092 1.00 0.00 ATOM 746 O TYR 92 -18.789 1.683 1.202 1.00 0.00 ATOM 747 C TYR 92 -18.191 2.231 2.151 1.00 0.00 ATOM 748 N PHE 93 -17.837 3.480 2.173 1.00 0.00 ATOM 749 CA PHE 93 -18.119 4.353 1.038 1.00 0.00 ATOM 750 CB PHE 93 -18.443 5.723 1.636 1.00 0.00 ATOM 751 CG PHE 93 -18.797 6.764 0.614 1.00 0.00 ATOM 752 CD1 PHE 93 -20.034 6.754 -0.004 1.00 0.00 ATOM 753 CD2 PHE 93 -17.891 7.753 0.267 1.00 0.00 ATOM 754 CE1 PHE 93 -20.360 7.710 -0.947 1.00 0.00 ATOM 755 CE2 PHE 93 -18.217 8.709 -0.675 1.00 0.00 ATOM 756 CZ PHE 93 -19.447 8.691 -1.282 1.00 0.00 ATOM 757 O PHE 93 -15.763 4.441 0.639 1.00 0.00 ATOM 758 C PHE 93 -16.895 4.439 0.149 1.00 0.00 ATOM 759 N VAL 94 -17.119 4.299 -1.104 1.00 0.00 ATOM 760 CA VAL 94 -15.990 4.559 -1.978 1.00 0.00 ATOM 761 CB VAL 94 -15.742 3.353 -2.889 1.00 0.00 ATOM 762 CG1 VAL 94 -14.539 3.651 -3.791 1.00 0.00 ATOM 763 CG2 VAL 94 -15.518 2.094 -2.051 1.00 0.00 ATOM 764 O VAL 94 -17.437 5.767 -3.453 1.00 0.00 ATOM 765 C VAL 94 -16.331 5.719 -2.907 1.00 0.00 ATOM 766 N ARG 95 -15.375 6.592 -3.087 1.00 0.00 ATOM 767 CA ARG 95 -15.612 7.735 -3.960 1.00 0.00 ATOM 768 CB ARG 95 -15.153 9.004 -3.276 1.00 0.00 ATOM 769 CG ARG 95 -16.203 10.098 -3.345 1.00 0.00 ATOM 770 CD ARG 95 -16.250 10.767 -4.716 1.00 0.00 ATOM 771 NE ARG 95 -15.023 11.509 -5.008 1.00 0.00 ATOM 772 CZ ARG 95 -14.929 12.459 -5.935 1.00 0.00 ATOM 773 NH1 ARG 95 -15.991 12.787 -6.661 1.00 0.00 ATOM 774 NH2 ARG 95 -13.773 13.081 -6.140 1.00 0.00 ATOM 775 O ARG 95 -13.462 7.223 -4.927 1.00 0.00 ATOM 776 C ARG 95 -14.630 7.572 -5.108 1.00 0.00 ATOM 777 N ARG 96 -15.314 7.842 -6.300 1.00 0.00 ATOM 778 CA ARG 96 -14.596 7.745 -7.562 1.00 0.00 ATOM 779 CB ARG 96 -15.452 7.011 -8.579 1.00 0.00 ATOM 780 CG ARG 96 -14.879 6.988 -9.978 1.00 0.00 ATOM 781 CD ARG 96 -15.555 5.902 -10.792 1.00 0.00 ATOM 782 NE ARG 96 -15.121 5.900 -12.183 1.00 0.00 ATOM 783 CZ ARG 96 -15.268 4.862 -12.999 1.00 0.00 ATOM 784 NH1 ARG 96 -15.833 3.747 -12.555 1.00 0.00 ATOM 785 NH2 ARG 96 -14.853 4.940 -14.255 1.00 0.00 ATOM 786 O ARG 96 -15.208 10.011 -7.914 1.00 0.00 ATOM 787 C ARG 96 -14.341 9.151 -8.045 1.00 0.00 ATOM 788 N VAL 97 -13.107 9.404 -8.475 1.00 0.00 ATOM 789 CA VAL 97 -12.745 10.723 -9.003 1.00 0.00 ATOM 790 CB VAL 97 -11.251 10.792 -9.333 1.00 0.00 ATOM 791 CG1 VAL 97 -10.949 12.100 -10.084 1.00 0.00 ATOM 792 CG2 VAL 97 -10.373 10.690 -8.075 1.00 0.00 ATOM 793 O VAL 97 -14.195 12.072 -10.370 1.00 0.00 ATOM 794 C VAL 97 -13.606 10.998 -10.231 1.00 0.00 ATOM 795 N ASN 98 -13.748 10.032 -11.133 1.00 0.00 ATOM 796 CA ASN 98 -14.570 10.191 -12.325 1.00 0.00 ATOM 797 CB ASN 98 -13.747 9.924 -13.588 1.00 0.00 ATOM 798 CG ASN 98 -14.569 10.069 -14.854 1.00 0.00 ATOM 799 ND2 ASN 98 -14.332 9.191 -15.822 1.00 0.00 ATOM 800 OD1 ASN 98 -15.401 10.967 -14.964 1.00 0.00 ATOM 801 O ASN 98 -15.825 8.315 -13.105 1.00 0.00 ATOM 802 C ASN 98 -15.777 9.260 -12.288 1.00 0.00 TER END