PFRMAT TS TARGET T0251 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 This is try11-opt2, the best-scoring model with an unconstrained METHOD undertaker cost function. REMARK 6 REMARK 6 T0251 model 1 Thu Aug 12 12:03:28 2004 MODEL 1 PARENT 1egr 1fo5_A 1ego 1kte 1grx REMARK 7 REMARK 7 ALLPARENTS 1egr 1fo5_A 1ego 1kte 1grx 1qfn_A 1jhb 1hyu_A REMARK 7 ALLPARENTS 1t1v_A 1j0f_A 1thx 1r26_A 1ilo_A 1st9_A 1fb6_A REMARK 7 ALLPARENTS 1h75_A ATOM 1 N MET 1 -11.836 -4.346 -5.768 1.00 0.00 ATOM 2 CA MET 1 -10.893 -3.709 -4.791 1.00 0.00 ATOM 3 CB MET 1 -9.826 -4.729 -4.392 1.00 0.00 ATOM 4 CG MET 1 -9.252 -4.519 -2.997 1.00 0.00 ATOM 5 SD MET 1 -8.349 -2.975 -2.802 1.00 0.00 ATOM 6 CE MET 1 -6.949 -3.225 -3.953 1.00 0.00 ATOM 7 O MET 1 -9.553 -2.701 -6.512 1.00 0.00 ATOM 8 C MET 1 -10.153 -2.558 -5.458 1.00 0.00 ATOM 9 N VAL 2 -10.261 -1.406 -4.828 1.00 0.00 ATOM 10 CA VAL 2 -9.627 -0.202 -5.313 1.00 0.00 ATOM 11 CB VAL 2 -10.678 0.886 -5.586 1.00 0.00 ATOM 12 CG1 VAL 2 -10.011 2.077 -6.238 1.00 0.00 ATOM 13 CG2 VAL 2 -11.776 0.329 -6.463 1.00 0.00 ATOM 14 O VAL 2 -9.466 0.608 -3.062 1.00 0.00 ATOM 15 C VAL 2 -8.882 0.399 -4.131 1.00 0.00 ATOM 16 N VAL 3 -7.613 0.663 -4.327 1.00 0.00 ATOM 17 CA VAL 3 -6.777 1.231 -3.275 1.00 0.00 ATOM 18 CB VAL 3 -5.443 0.481 -3.168 1.00 0.00 ATOM 19 CG1 VAL 3 -4.470 1.300 -2.322 1.00 0.00 ATOM 20 CG2 VAL 3 -5.698 -0.868 -2.513 1.00 0.00 ATOM 21 O VAL 3 -5.971 2.742 -4.959 1.00 0.00 ATOM 22 C VAL 3 -6.373 2.613 -3.810 1.00 0.00 ATOM 23 N TYR 4 -6.636 3.646 -3.009 1.00 0.00 ATOM 24 CA TYR 4 -6.145 4.981 -3.319 1.00 0.00 ATOM 25 CB TYR 4 -6.981 6.041 -2.600 1.00 0.00 ATOM 26 CG TYR 4 -8.365 6.228 -3.179 1.00 0.00 ATOM 27 CD1 TYR 4 -9.463 5.583 -2.622 1.00 0.00 ATOM 28 CD2 TYR 4 -8.571 7.046 -4.283 1.00 0.00 ATOM 29 CE1 TYR 4 -10.731 5.748 -3.145 1.00 0.00 ATOM 30 CE2 TYR 4 -9.832 7.222 -4.819 1.00 0.00 ATOM 31 CZ TYR 4 -10.917 6.564 -4.241 1.00 0.00 ATOM 32 OH TYR 4 -12.177 6.728 -4.762 1.00 0.00 ATOM 33 O TYR 4 -4.521 5.025 -1.628 1.00 0.00 ATOM 34 C TYR 4 -4.688 5.061 -2.852 1.00 0.00 ATOM 35 N GLY 5 -4.048 5.833 -3.610 1.00 0.00 ATOM 36 CA GLY 5 -2.613 5.973 -3.396 1.00 0.00 ATOM 37 O GLY 5 -2.766 8.041 -4.596 1.00 0.00 ATOM 38 C GLY 5 -2.064 7.252 -3.962 1.00 0.00 ATOM 39 N ALA 6 -0.694 7.407 -3.636 1.00 0.00 ATOM 40 CA ALA 6 0.047 8.567 -4.076 1.00 0.00 ATOM 41 CB ALA 6 -0.444 9.878 -3.520 1.00 0.00 ATOM 42 O ALA 6 1.982 7.160 -3.949 1.00 0.00 ATOM 43 C ALA 6 1.465 8.165 -4.429 1.00 0.00 ATOM 44 N ASP 7 2.094 8.978 -5.270 1.00 0.00 ATOM 45 CA ASP 7 3.467 8.745 -5.676 1.00 0.00 ATOM 46 CB ASP 7 3.473 8.394 -7.164 1.00 0.00 ATOM 47 CG ASP 7 2.870 7.032 -7.444 1.00 0.00 ATOM 48 OD1 ASP 7 3.501 6.016 -7.076 1.00 0.00 ATOM 49 OD2 ASP 7 1.770 6.977 -8.028 1.00 0.00 ATOM 50 O ASP 7 3.611 11.143 -5.595 1.00 0.00 ATOM 51 C ASP 7 4.200 10.069 -5.466 1.00 0.00 ATOM 52 N VAL 8 5.517 9.951 -5.124 1.00 0.00 ATOM 53 CA VAL 8 6.345 11.137 -4.905 1.00 0.00 ATOM 54 CB VAL 8 7.788 10.747 -4.784 1.00 0.00 ATOM 55 CG1 VAL 8 8.695 11.964 -4.924 1.00 0.00 ATOM 56 CG2 VAL 8 7.977 10.118 -3.415 1.00 0.00 ATOM 57 O VAL 8 6.087 11.267 -7.325 1.00 0.00 ATOM 58 C VAL 8 6.323 11.871 -6.258 1.00 0.00 ATOM 59 N ILE 9 6.536 13.282 -6.315 1.00 0.00 ATOM 60 CA ILE 9 6.562 14.109 -7.521 1.00 0.00 ATOM 61 CB ILE 9 7.925 14.786 -7.694 1.00 0.00 ATOM 62 CG1 ILE 9 8.393 15.702 -6.580 1.00 0.00 ATOM 63 CG2 ILE 9 7.954 15.508 -9.029 1.00 0.00 ATOM 64 CD1 ILE 9 7.430 16.742 -6.206 1.00 0.00 ATOM 65 O ILE 9 5.175 13.429 -9.363 1.00 0.00 ATOM 66 C ILE 9 5.232 13.945 -8.242 1.00 0.00 ATOM 67 N CYS 10 4.138 14.450 -7.557 1.00 0.00 ATOM 68 CA CYS 10 2.814 14.377 -8.162 1.00 0.00 ATOM 69 CB CYS 10 1.957 13.507 -7.293 1.00 0.00 ATOM 70 SG CYS 10 2.007 11.804 -7.973 1.00 0.00 ATOM 71 O CYS 10 2.619 16.037 -6.442 1.00 0.00 ATOM 72 C CYS 10 2.382 15.733 -7.607 1.00 0.00 ATOM 73 N ALA 11 1.473 16.795 -8.377 1.00 0.00 ATOM 74 CA ALA 11 0.963 18.052 -7.844 1.00 0.00 ATOM 75 CB ALA 11 0.442 18.970 -8.827 1.00 0.00 ATOM 76 O ALA 11 -0.450 18.132 -5.931 1.00 0.00 ATOM 77 C ALA 11 -0.278 17.660 -7.079 1.00 0.00 ATOM 78 N SER 12 -1.112 16.809 -7.670 1.00 0.00 ATOM 79 CA SER 12 -2.353 16.355 -6.993 1.00 0.00 ATOM 80 CB SER 12 -3.246 15.639 -8.055 1.00 0.00 ATOM 81 OG SER 12 -4.416 15.157 -7.402 1.00 0.00 ATOM 82 O SER 12 -2.506 15.683 -4.714 1.00 0.00 ATOM 83 C SER 12 -1.955 15.522 -5.790 1.00 0.00 ATOM 84 N CYS 13 -0.929 14.586 -5.936 1.00 0.00 ATOM 85 CA CYS 13 -0.469 13.771 -4.821 1.00 0.00 ATOM 86 CB CYS 13 0.792 13.009 -5.232 1.00 0.00 ATOM 87 SG CYS 13 0.543 11.816 -6.567 1.00 0.00 ATOM 88 O CYS 13 0.305 13.918 -2.604 1.00 0.00 ATOM 89 C CYS 13 0.012 14.572 -3.616 1.00 0.00 ATOM 90 N VAL 14 0.734 15.681 -3.910 1.00 0.00 ATOM 91 CA VAL 14 1.201 16.565 -2.839 1.00 0.00 ATOM 92 CB VAL 14 1.954 17.759 -3.437 1.00 0.00 ATOM 93 CG1 VAL 14 2.355 18.754 -2.355 1.00 0.00 ATOM 94 CG2 VAL 14 3.227 17.254 -4.102 1.00 0.00 ATOM 95 O VAL 14 -0.049 16.837 -0.859 1.00 0.00 ATOM 96 C VAL 14 -0.041 16.959 -2.085 1.00 0.00 ATOM 97 N ASN 15 -1.133 17.264 -2.784 1.00 0.00 ATOM 98 CA ASN 15 -2.365 17.599 -2.099 1.00 0.00 ATOM 99 CB ASN 15 -3.316 18.364 -3.031 1.00 0.00 ATOM 100 CG ASN 15 -4.621 18.739 -2.342 1.00 0.00 ATOM 101 ND2 ASN 15 -5.712 18.120 -2.757 1.00 0.00 ATOM 102 OD1 ASN 15 -4.638 19.571 -1.441 1.00 0.00 ATOM 103 O ASN 15 -3.526 16.272 -0.484 1.00 0.00 ATOM 104 C ASN 15 -2.686 16.294 -1.400 1.00 0.00 ATOM 105 N ALA 16 -1.978 15.139 -1.769 1.00 0.00 ATOM 106 CA ALA 16 -2.133 13.835 -1.095 1.00 0.00 ATOM 107 CB ALA 16 -2.974 12.907 -1.871 1.00 0.00 ATOM 108 O ALA 16 0.115 14.116 -1.827 1.00 0.00 ATOM 109 C ALA 16 -0.628 13.574 -1.000 1.00 0.00 ATOM 110 N PRO 17 -0.077 12.871 0.002 1.00 0.00 ATOM 111 CA PRO 17 1.270 12.322 -0.036 1.00 0.00 ATOM 112 CB PRO 17 1.243 11.569 1.397 1.00 0.00 ATOM 113 CG PRO 17 -0.029 10.802 1.142 1.00 0.00 ATOM 114 CD PRO 17 -0.939 11.870 0.574 1.00 0.00 ATOM 115 O PRO 17 1.528 10.912 -1.951 1.00 0.00 ATOM 116 C PRO 17 2.048 11.749 -1.219 1.00 0.00 ATOM 117 N THR 18 3.411 12.037 -1.280 1.00 0.00 ATOM 118 CA THR 18 4.308 11.380 -2.253 1.00 0.00 ATOM 119 CB THR 18 5.349 12.384 -2.725 1.00 0.00 ATOM 120 CG2 THR 18 4.719 13.563 -3.444 1.00 0.00 ATOM 121 OG1 THR 18 6.063 12.936 -1.598 1.00 0.00 ATOM 122 O THR 18 5.481 10.435 -0.359 1.00 0.00 ATOM 123 C THR 18 4.492 10.403 -1.093 1.00 0.00 ATOM 124 N SER 19 3.482 9.467 -0.856 1.00 0.00 ATOM 125 CA SER 19 3.552 8.481 0.209 1.00 0.00 ATOM 126 CB SER 19 2.204 7.803 0.459 1.00 0.00 ATOM 127 OG SER 19 2.308 6.820 1.475 1.00 0.00 ATOM 128 O SER 19 4.447 6.654 -1.055 1.00 0.00 ATOM 129 C SER 19 4.615 7.403 -0.083 1.00 0.00 ATOM 130 N LYS 20 5.647 7.229 0.762 1.00 0.00 ATOM 131 CA LYS 20 6.516 6.056 0.682 1.00 0.00 ATOM 132 CB LYS 20 7.720 6.217 1.593 1.00 0.00 ATOM 133 CG LYS 20 8.919 6.885 0.913 1.00 0.00 ATOM 134 CD LYS 20 8.519 8.141 0.142 1.00 0.00 ATOM 135 CE LYS 20 9.704 8.722 -0.618 1.00 0.00 ATOM 136 NZ LYS 20 10.340 7.703 -1.505 1.00 0.00 ATOM 137 O LYS 20 5.959 3.727 0.490 1.00 0.00 ATOM 138 C LYS 20 5.732 4.801 1.058 1.00 0.00 ATOM 139 N ASP 21 4.782 4.946 2.000 1.00 0.00 ATOM 140 CA ASP 21 3.983 3.806 2.443 1.00 0.00 ATOM 141 CB ASP 21 3.124 4.269 3.676 1.00 0.00 ATOM 142 CG ASP 21 3.961 4.624 4.894 1.00 0.00 ATOM 143 OD1 ASP 21 3.483 5.423 5.710 1.00 0.00 ATOM 144 OD2 ASP 21 5.084 4.116 5.011 1.00 0.00 ATOM 145 O ASP 21 2.903 1.970 1.365 1.00 0.00 ATOM 146 C ASP 21 3.088 3.184 1.381 1.00 0.00 ATOM 147 N ILE 22 2.523 4.024 0.502 1.00 0.00 ATOM 148 CA ILE 22 1.649 3.535 -0.564 1.00 0.00 ATOM 149 CB ILE 22 1.066 4.664 -1.415 1.00 0.00 ATOM 150 CG1 ILE 22 -0.101 4.122 -2.244 1.00 0.00 ATOM 151 CG2 ILE 22 2.129 5.275 -2.308 1.00 0.00 ATOM 152 CD1 ILE 22 -1.325 3.718 -1.405 1.00 0.00 ATOM 153 O ILE 22 1.893 1.607 -1.959 1.00 0.00 ATOM 154 C ILE 22 2.443 2.599 -1.486 1.00 0.00 ATOM 155 N TYR 23 3.743 2.845 -1.694 1.00 0.00 ATOM 156 CA TYR 23 4.585 1.952 -2.490 1.00 0.00 ATOM 157 CB TYR 23 5.995 2.468 -2.562 1.00 0.00 ATOM 158 CG TYR 23 6.159 3.467 -3.682 1.00 0.00 ATOM 159 CD1 TYR 23 6.263 4.838 -3.418 1.00 0.00 ATOM 160 CD2 TYR 23 6.216 3.041 -5.011 1.00 0.00 ATOM 161 CE1 TYR 23 6.428 5.754 -4.457 1.00 0.00 ATOM 162 CE2 TYR 23 6.379 3.946 -6.048 1.00 0.00 ATOM 163 CZ TYR 23 6.485 5.294 -5.770 1.00 0.00 ATOM 164 OH TYR 23 6.667 6.179 -6.807 1.00 0.00 ATOM 165 O TYR 23 4.757 -0.425 -2.523 1.00 0.00 ATOM 166 C TYR 23 4.757 0.588 -1.822 1.00 0.00 ATOM 167 N ASP 24 5.076 0.711 -0.668 1.00 0.00 ATOM 168 CA ASP 24 4.993 -0.475 0.188 1.00 0.00 ATOM 169 CB ASP 24 5.109 -0.065 1.698 1.00 0.00 ATOM 170 CG ASP 24 6.522 0.313 2.124 1.00 0.00 ATOM 171 OD1 ASP 24 7.489 -0.010 1.405 1.00 0.00 ATOM 172 OD2 ASP 24 6.654 0.943 3.185 1.00 0.00 ATOM 173 O ASP 24 3.640 -2.439 -0.105 1.00 0.00 ATOM 174 C ASP 24 3.647 -1.207 0.023 1.00 0.00 ATOM 175 N TRP 25 2.568 -0.442 0.118 1.00 0.00 ATOM 176 CA TRP 25 1.245 -1.041 -0.061 1.00 0.00 ATOM 177 CB TRP 25 0.185 0.017 0.205 1.00 0.00 ATOM 178 CG TRP 25 0.259 0.751 1.510 1.00 0.00 ATOM 179 CD1 TRP 25 -0.155 2.042 1.696 1.00 0.00 ATOM 180 CD2 TRP 25 0.746 0.271 2.759 1.00 0.00 ATOM 181 CE2 TRP 25 0.607 1.332 3.673 1.00 0.00 ATOM 182 CE3 TRP 25 1.295 -0.911 3.239 1.00 0.00 ATOM 183 NE1 TRP 25 0.052 2.396 2.996 1.00 0.00 ATOM 184 CZ2 TRP 25 0.983 1.228 5.003 1.00 0.00 ATOM 185 CZ3 TRP 25 1.677 -1.021 4.549 1.00 0.00 ATOM 186 CH2 TRP 25 1.523 0.049 5.427 1.00 0.00 ATOM 187 O TRP 25 0.394 -2.681 -1.552 1.00 0.00 ATOM 188 C TRP 25 1.088 -1.679 -1.442 1.00 0.00 ATOM 189 N LEU 26 1.710 -1.115 -2.397 1.00 0.00 ATOM 190 CA LEU 26 1.702 -1.611 -3.754 1.00 0.00 ATOM 191 CB LEU 26 2.480 -0.669 -4.676 1.00 0.00 ATOM 192 CG LEU 26 1.838 0.689 -4.955 1.00 0.00 ATOM 193 CD1 LEU 26 2.793 1.591 -5.718 1.00 0.00 ATOM 194 CD2 LEU 26 0.573 0.524 -5.788 1.00 0.00 ATOM 195 O LEU 26 1.783 -3.865 -4.589 1.00 0.00 ATOM 196 C LEU 26 2.315 -3.003 -3.878 1.00 0.00 ATOM 197 N GLN 27 3.418 -3.211 -3.191 1.00 0.00 ATOM 198 CA GLN 27 4.097 -4.501 -3.259 1.00 0.00 ATOM 199 CB GLN 27 5.453 -4.559 -2.742 1.00 0.00 ATOM 200 CG GLN 27 6.441 -3.825 -3.647 1.00 0.00 ATOM 201 CD GLN 27 7.845 -3.755 -3.062 1.00 0.00 ATOM 202 OE1 GLN 27 8.744 -4.426 -3.544 1.00 0.00 ATOM 203 NE2 GLN 27 8.028 -2.929 -2.042 1.00 0.00 ATOM 204 O GLN 27 2.987 -6.574 -3.055 1.00 0.00 ATOM 205 C GLN 27 3.260 -5.514 -2.509 1.00 0.00 ATOM 206 N PRO 28 2.880 -5.209 -1.271 1.00 0.00 ATOM 207 CA PRO 28 2.105 -6.082 -0.401 1.00 0.00 ATOM 208 CB PRO 28 2.025 -5.308 0.914 1.00 0.00 ATOM 209 CG PRO 28 3.407 -4.837 1.002 1.00 0.00 ATOM 210 CD PRO 28 3.669 -4.297 -0.421 1.00 0.00 ATOM 211 O PRO 28 0.393 -7.740 -0.666 1.00 0.00 ATOM 212 C PRO 28 0.821 -6.634 -1.003 1.00 0.00 ATOM 213 N LEU 29 0.210 -5.865 -1.892 1.00 0.00 ATOM 214 CA LEU 29 -1.028 -6.288 -2.529 1.00 0.00 ATOM 215 CB LEU 29 -1.888 -5.078 -2.814 1.00 0.00 ATOM 216 CG LEU 29 -2.349 -4.328 -1.579 1.00 0.00 ATOM 217 CD1 LEU 29 -3.163 -3.101 -2.006 1.00 0.00 ATOM 218 CD2 LEU 29 -3.058 -5.166 -0.557 1.00 0.00 ATOM 219 O LEU 29 -1.238 -8.126 -4.022 1.00 0.00 ATOM 220 C LEU 29 -0.733 -7.036 -3.851 1.00 0.00 ATOM 221 N LEU 30 0.115 -6.481 -4.722 1.00 0.00 ATOM 222 CA LEU 30 0.450 -7.139 -5.970 1.00 0.00 ATOM 223 CB LEU 30 1.385 -6.251 -6.822 1.00 0.00 ATOM 224 CG LEU 30 0.737 -5.054 -7.520 1.00 0.00 ATOM 225 CD1 LEU 30 1.801 -4.143 -8.104 1.00 0.00 ATOM 226 CD2 LEU 30 -0.190 -5.567 -8.617 1.00 0.00 ATOM 227 O LEU 30 1.043 -9.324 -6.731 1.00 0.00 ATOM 228 C LEU 30 1.143 -8.488 -5.834 1.00 0.00 ATOM 229 N LYS 31 1.833 -8.710 -4.699 1.00 0.00 ATOM 230 CA LYS 31 2.522 -9.972 -4.446 1.00 0.00 ATOM 231 CB LYS 31 3.761 -9.491 -3.466 1.00 0.00 ATOM 232 CG LYS 31 4.727 -10.568 -3.020 1.00 0.00 ATOM 233 CD LYS 31 5.575 -11.066 -4.161 1.00 0.00 ATOM 234 CE LYS 31 6.655 -12.012 -3.648 1.00 0.00 ATOM 235 NZ LYS 31 6.088 -13.176 -2.901 1.00 0.00 ATOM 236 O LYS 31 1.982 -12.315 -4.286 1.00 0.00 ATOM 237 C LYS 31 1.559 -11.156 -4.275 1.00 0.00 ATOM 238 N ARG 32 0.274 -10.866 -4.107 1.00 0.00 ATOM 239 CA ARG 32 -0.679 -11.837 -3.602 1.00 0.00 ATOM 240 CB ARG 32 -1.108 -12.037 -2.422 1.00 0.00 ATOM 241 CG ARG 32 -0.210 -13.086 -1.773 1.00 0.00 ATOM 242 CD ARG 32 -0.442 -13.168 -0.270 1.00 0.00 ATOM 243 NE ARG 32 -1.856 -13.300 0.072 1.00 0.00 ATOM 244 CZ ARG 32 -2.576 -14.408 -0.087 1.00 0.00 ATOM 245 NH1 ARG 32 -2.015 -15.503 -0.587 1.00 0.00 ATOM 246 NH2 ARG 32 -3.861 -14.417 0.251 1.00 0.00 ATOM 247 O ARG 32 -2.098 -11.303 -5.449 1.00 0.00 ATOM 248 C ARG 32 -1.681 -12.184 -4.704 1.00 0.00 ATOM 249 N LYS 33 -2.046 -13.522 -4.814 1.00 0.00 ATOM 250 CA LYS 33 -2.985 -13.941 -5.852 1.00 0.00 ATOM 251 CB LYS 33 -3.108 -15.472 -5.798 1.00 0.00 ATOM 252 CG LYS 33 -1.858 -16.125 -6.392 1.00 0.00 ATOM 253 CD LYS 33 -1.849 -17.637 -6.341 1.00 0.00 ATOM 254 CE LYS 33 -0.729 -18.184 -7.214 1.00 0.00 ATOM 255 NZ LYS 33 -0.623 -19.667 -7.185 1.00 0.00 ATOM 256 O LYS 33 -5.106 -13.784 -4.747 1.00 0.00 ATOM 257 C LYS 33 -4.349 -13.324 -5.621 1.00 0.00 ATOM 258 N TYR 34 -4.938 -12.379 -6.455 1.00 0.00 ATOM 259 CA TYR 34 -6.307 -11.910 -6.381 1.00 0.00 ATOM 260 CB TYR 34 -6.120 -10.433 -6.058 1.00 0.00 ATOM 261 CG TYR 34 -5.211 -10.220 -4.871 1.00 0.00 ATOM 262 CD1 TYR 34 -5.321 -11.024 -3.737 1.00 0.00 ATOM 263 CD2 TYR 34 -4.247 -9.213 -4.874 1.00 0.00 ATOM 264 CE1 TYR 34 -4.491 -10.831 -2.636 1.00 0.00 ATOM 265 CE2 TYR 34 -3.415 -9.012 -3.779 1.00 0.00 ATOM 266 CZ TYR 34 -3.540 -9.824 -2.667 1.00 0.00 ATOM 267 OH TYR 34 -2.714 -9.648 -1.577 1.00 0.00 ATOM 268 O TYR 34 -7.337 -10.982 -8.362 1.00 0.00 ATOM 269 C TYR 34 -7.061 -11.993 -7.714 1.00 0.00 ATOM 270 N PRO 35 -7.377 -13.195 -8.177 1.00 0.00 ATOM 271 CA PRO 35 -7.958 -13.335 -9.534 1.00 0.00 ATOM 272 CB PRO 35 -7.996 -14.862 -9.752 1.00 0.00 ATOM 273 CG PRO 35 -8.083 -15.390 -8.335 1.00 0.00 ATOM 274 CD PRO 35 -7.197 -14.480 -7.502 1.00 0.00 ATOM 275 O PRO 35 -9.678 -12.423 -10.862 1.00 0.00 ATOM 276 C PRO 35 -9.346 -12.761 -9.723 1.00 0.00 ATOM 277 N ASN 36 -10.117 -12.611 -8.640 1.00 0.00 ATOM 278 CA ASN 36 -11.469 -12.069 -8.731 1.00 0.00 ATOM 279 CB ASN 36 -12.516 -12.950 -8.122 1.00 0.00 ATOM 280 CG ASN 36 -12.377 -13.135 -6.688 1.00 0.00 ATOM 281 ND2 ASN 36 -13.221 -14.125 -6.150 1.00 0.00 ATOM 282 OD1 ASN 36 -11.694 -12.500 -5.930 1.00 0.00 ATOM 283 O ASN 36 -12.530 -9.928 -8.419 1.00 0.00 ATOM 284 C ASN 36 -11.479 -10.546 -8.644 1.00 0.00 ATOM 285 N ILE 37 -10.226 -9.973 -8.831 1.00 0.00 ATOM 286 CA ILE 37 -10.089 -8.505 -8.776 1.00 0.00 ATOM 287 CB ILE 37 -9.550 -8.042 -7.365 1.00 0.00 ATOM 288 CG1 ILE 37 -8.072 -8.405 -7.205 1.00 0.00 ATOM 289 CG2 ILE 37 -10.355 -8.644 -6.196 1.00 0.00 ATOM 290 CD1 ILE 37 -7.367 -7.646 -6.122 1.00 0.00 ATOM 291 O ILE 37 -8.547 -8.518 -10.608 1.00 0.00 ATOM 292 C ILE 37 -9.544 -7.996 -10.069 1.00 0.00 ATOM 293 N SER 38 -10.212 -7.000 -10.638 1.00 0.00 ATOM 294 CA SER 38 -9.817 -6.400 -11.886 1.00 0.00 ATOM 295 CB SER 38 -11.039 -6.163 -12.756 1.00 0.00 ATOM 296 OG SER 38 -10.667 -5.702 -14.041 1.00 0.00 ATOM 297 O SER 38 -9.116 -4.679 -10.384 1.00 0.00 ATOM 298 C SER 38 -9.247 -5.031 -11.554 1.00 0.00 ATOM 299 N PHE 39 -8.934 -4.216 -12.495 1.00 0.00 ATOM 300 CA PHE 39 -8.424 -2.874 -12.248 1.00 0.00 ATOM 301 CB PHE 39 -7.773 -2.219 -13.379 1.00 0.00 ATOM 302 CG PHE 39 -7.160 -0.909 -12.995 1.00 0.00 ATOM 303 CD1 PHE 39 -6.049 -0.870 -12.154 1.00 0.00 ATOM 304 CD2 PHE 39 -7.711 0.290 -13.439 1.00 0.00 ATOM 305 CE1 PHE 39 -5.498 0.340 -11.758 1.00 0.00 ATOM 306 CE2 PHE 39 -7.171 1.513 -13.049 1.00 0.00 ATOM 307 CZ PHE 39 -6.061 1.537 -12.205 1.00 0.00 ATOM 308 O PHE 39 -9.526 -1.262 -11.011 1.00 0.00 ATOM 309 C PHE 39 -9.692 -2.116 -11.877 1.00 0.00 ATOM 310 N LYS 40 -11.120 -3.288 -11.302 1.00 0.00 ATOM 311 CA LYS 40 -11.895 -3.361 -10.057 1.00 0.00 ATOM 312 CB LYS 40 -13.000 -4.474 -10.118 1.00 0.00 ATOM 313 CG LYS 40 -13.682 -4.575 -11.465 1.00 0.00 ATOM 314 CD LYS 40 -14.686 -3.477 -11.674 1.00 0.00 ATOM 315 CE LYS 40 -15.436 -3.689 -12.989 1.00 0.00 ATOM 316 NZ LYS 40 -16.138 -2.451 -13.430 1.00 0.00 ATOM 317 O LYS 40 -10.437 -4.347 -8.162 1.00 0.00 ATOM 318 C LYS 40 -11.096 -3.495 -8.757 1.00 0.00 ATOM 319 N TYR 41 -8.472 -5.294 -8.802 1.00 0.00 ATOM 320 CA TYR 41 -7.418 -4.585 -8.092 1.00 0.00 ATOM 321 CB TYR 41 -6.225 -5.544 -8.026 1.00 0.00 ATOM 322 CG TYR 41 -5.072 -4.824 -7.378 1.00 0.00 ATOM 323 CD1 TYR 41 -5.087 -4.615 -6.004 1.00 0.00 ATOM 324 CD2 TYR 41 -4.028 -4.290 -8.130 1.00 0.00 ATOM 325 CE1 TYR 41 -4.071 -3.903 -5.372 1.00 0.00 ATOM 326 CE2 TYR 41 -3.008 -3.560 -7.517 1.00 0.00 ATOM 327 CZ TYR 41 -3.050 -3.344 -6.139 1.00 0.00 ATOM 328 OH TYR 41 -2.084 -2.607 -5.513 1.00 0.00 ATOM 329 O TYR 41 -6.623 -3.441 -10.018 1.00 0.00 ATOM 330 C TYR 41 -7.163 -3.332 -8.913 1.00 0.00 ATOM 331 N THR 42 -7.515 -2.165 -8.380 1.00 0.00 ATOM 332 CA THR 42 -7.348 -0.907 -9.068 1.00 0.00 ATOM 333 CB THR 42 -8.696 -0.356 -9.621 1.00 0.00 ATOM 334 CG2 THR 42 -9.673 -0.048 -8.482 1.00 0.00 ATOM 335 OG1 THR 42 -8.454 0.835 -10.385 1.00 0.00 ATOM 336 O THR 42 -7.091 0.322 -7.026 1.00 0.00 ATOM 337 C THR 42 -6.622 0.038 -8.128 1.00 0.00 ATOM 338 N TYR 43 -5.402 0.484 -8.566 1.00 0.00 ATOM 339 CA TYR 43 -4.634 1.441 -7.798 1.00 0.00 ATOM 340 CB TYR 43 -3.141 1.087 -7.791 1.00 0.00 ATOM 341 CG TYR 43 -2.276 2.152 -7.148 1.00 0.00 ATOM 342 CD1 TYR 43 -2.264 2.334 -5.773 1.00 0.00 ATOM 343 CD2 TYR 43 -1.482 2.974 -7.935 1.00 0.00 ATOM 344 CE1 TYR 43 -1.467 3.313 -5.200 1.00 0.00 ATOM 345 CE2 TYR 43 -0.685 3.953 -7.369 1.00 0.00 ATOM 346 CZ TYR 43 -0.687 4.116 -6.000 1.00 0.00 ATOM 347 OH TYR 43 0.110 5.098 -5.454 1.00 0.00 ATOM 348 O TYR 43 -4.696 3.114 -9.529 1.00 0.00 ATOM 349 C TYR 43 -5.097 2.761 -8.417 1.00 0.00 ATOM 350 N ILE 44 -5.969 3.531 -7.656 1.00 0.00 ATOM 351 CA ILE 44 -6.471 4.816 -8.135 1.00 0.00 ATOM 352 CB ILE 44 -7.979 4.991 -7.701 1.00 0.00 ATOM 353 CG1 ILE 44 -8.511 6.379 -8.042 1.00 0.00 ATOM 354 CG2 ILE 44 -8.162 4.710 -6.219 1.00 0.00 ATOM 355 CD1 ILE 44 -10.020 6.488 -7.887 1.00 0.00 ATOM 356 O ILE 44 -5.192 5.939 -6.436 1.00 0.00 ATOM 357 C ILE 44 -5.529 5.910 -7.624 1.00 0.00 ATOM 358 N ASP 45 -5.130 6.814 -8.519 1.00 0.00 ATOM 359 CA ASP 45 -4.212 7.889 -8.179 1.00 0.00 ATOM 360 CB ASP 45 -2.931 7.728 -9.005 1.00 0.00 ATOM 361 CG ASP 45 -1.829 8.679 -8.572 1.00 0.00 ATOM 362 OD1 ASP 45 -2.067 9.499 -7.657 1.00 0.00 ATOM 363 OD2 ASP 45 -0.721 8.604 -9.146 1.00 0.00 ATOM 364 O ASP 45 -5.017 9.567 -9.696 1.00 0.00 ATOM 365 C ASP 45 -4.879 9.217 -8.525 1.00 0.00 ATOM 366 N ILE 46 -5.335 9.898 -7.473 1.00 0.00 ATOM 367 CA ILE 46 -6.011 11.177 -7.665 1.00 0.00 ATOM 368 CB ILE 46 -6.444 11.675 -6.229 1.00 0.00 ATOM 369 CG1 ILE 46 -7.959 11.777 -6.144 1.00 0.00 ATOM 370 CG2 ILE 46 -5.658 12.904 -5.773 1.00 0.00 ATOM 371 CD1 ILE 46 -8.652 10.450 -6.362 1.00 0.00 ATOM 372 O ILE 46 -5.572 13.009 -9.147 1.00 0.00 ATOM 373 C ILE 46 -5.099 12.097 -8.476 1.00 0.00 ATOM 374 N THR 47 -3.713 11.893 -8.405 1.00 0.00 ATOM 375 CA THR 47 -2.765 12.740 -9.122 1.00 0.00 ATOM 376 CB THR 47 -1.309 12.292 -8.927 1.00 0.00 ATOM 377 CG2 THR 47 -0.398 13.343 -9.532 1.00 0.00 ATOM 378 OG1 THR 47 -1.041 12.316 -7.513 1.00 0.00 ATOM 379 O THR 47 -2.467 13.573 -11.353 1.00 0.00 ATOM 380 C THR 47 -2.812 12.627 -10.642 1.00 0.00 ATOM 381 N LYS 48 -3.233 11.489 -11.151 1.00 0.00 ATOM 382 CA LYS 48 -3.295 11.265 -12.590 1.00 0.00 ATOM 383 CB LYS 48 -3.384 9.769 -12.900 1.00 0.00 ATOM 384 CG LYS 48 -2.165 8.980 -12.438 1.00 0.00 ATOM 385 CD LYS 48 -2.282 7.509 -12.807 1.00 0.00 ATOM 386 CE LYS 48 -1.084 6.716 -12.305 1.00 0.00 ATOM 387 NZ LYS 48 -1.195 5.271 -12.643 1.00 0.00 ATOM 388 O LYS 48 -4.291 12.385 -14.463 1.00 0.00 ATOM 389 C LYS 48 -4.398 12.039 -13.290 1.00 0.00 ATOM 390 N ASP 49 -5.454 12.325 -12.489 1.00 0.00 ATOM 391 CA ASP 49 -6.591 13.087 -12.941 1.00 0.00 ATOM 392 CB ASP 49 -7.874 12.548 -12.305 1.00 0.00 ATOM 393 CG ASP 49 -9.119 13.227 -12.845 1.00 0.00 ATOM 394 OD1 ASP 49 -8.982 14.146 -13.678 1.00 0.00 ATOM 395 OD2 ASP 49 -10.232 12.838 -12.432 1.00 0.00 ATOM 396 O ASP 49 -6.583 14.905 -11.378 1.00 0.00 ATOM 397 C ASP 49 -6.617 14.564 -12.554 1.00 0.00 ATOM 398 N ASN 50 -6.688 15.423 -13.672 1.00 0.00 ATOM 399 CA ASN 50 -6.688 16.879 -13.486 1.00 0.00 ATOM 400 CB ASN 50 -6.697 17.651 -14.807 1.00 0.00 ATOM 401 CG ASN 50 -5.368 17.577 -15.533 1.00 0.00 ATOM 402 ND2 ASN 50 -5.390 17.849 -16.834 1.00 0.00 ATOM 403 OD1 ASN 50 -4.335 17.280 -14.933 1.00 0.00 ATOM 404 O ASN 50 -7.872 18.215 -11.891 1.00 0.00 ATOM 405 C ASN 50 -7.924 17.266 -12.674 1.00 0.00 ATOM 406 N ASP 51 -9.034 16.661 -13.066 1.00 0.00 ATOM 407 CA ASP 51 -10.306 16.967 -12.416 1.00 0.00 ATOM 408 CB ASP 51 -11.448 16.126 -13.000 1.00 0.00 ATOM 409 CG ASP 51 -11.863 16.585 -14.382 1.00 0.00 ATOM 410 OD1 ASP 51 -11.620 17.761 -14.722 1.00 0.00 ATOM 411 OD2 ASP 51 -12.450 15.766 -15.124 1.00 0.00 ATOM 412 O ASP 51 -10.798 17.398 -10.109 1.00 0.00 ATOM 413 C ASP 51 -10.265 16.663 -10.921 1.00 0.00 ATOM 414 N ASN 52 -9.594 15.562 -10.551 1.00 0.00 ATOM 415 CA ASN 52 -9.487 15.209 -9.157 1.00 0.00 ATOM 416 CB ASN 52 -8.874 13.833 -8.975 1.00 0.00 ATOM 417 CG ASN 52 -9.780 12.730 -9.483 1.00 0.00 ATOM 418 ND2 ASN 52 -9.208 11.563 -9.720 1.00 0.00 ATOM 419 OD1 ASN 52 -10.989 12.922 -9.649 1.00 0.00 ATOM 420 O ASN 52 -9.046 16.589 -7.248 1.00 0.00 ATOM 421 C ASN 52 -8.683 16.242 -8.377 1.00 0.00 ATOM 422 N LEU 53 -7.598 16.735 -8.976 1.00 0.00 ATOM 423 CA LEU 53 -6.764 17.727 -8.302 1.00 0.00 ATOM 424 CB LEU 53 -5.363 17.781 -8.928 1.00 0.00 ATOM 425 CG LEU 53 -4.510 18.975 -8.432 1.00 0.00 ATOM 426 CD1 LEU 53 -4.008 18.701 -7.002 1.00 0.00 ATOM 427 CD2 LEU 53 -3.283 19.219 -9.280 1.00 0.00 ATOM 428 O LEU 53 -7.482 19.658 -7.071 1.00 0.00 ATOM 429 C LEU 53 -7.528 19.038 -8.136 1.00 0.00 ATOM 430 N THR 54 -8.299 19.433 -9.134 1.00 0.00 ATOM 431 CA THR 54 -9.091 20.651 -9.088 1.00 0.00 ATOM 432 CB THR 54 -9.537 21.057 -10.538 1.00 0.00 ATOM 433 CG2 THR 54 -10.494 22.262 -10.482 1.00 0.00 ATOM 434 OG1 THR 54 -8.361 21.390 -11.263 1.00 0.00 ATOM 435 O THR 54 -10.506 21.560 -7.393 1.00 0.00 ATOM 436 C THR 54 -10.192 20.549 -8.011 1.00 0.00 ATOM 437 N ASP 55 -10.801 19.386 -7.916 1.00 0.00 ATOM 438 CA ASP 55 -11.850 19.156 -6.900 1.00 0.00 ATOM 439 CB ASP 55 -13.115 19.988 -7.384 1.00 0.00 ATOM 440 CG ASP 55 -13.717 19.369 -8.637 1.00 0.00 ATOM 441 OD1 ASP 55 -13.461 18.173 -8.898 1.00 0.00 ATOM 442 OD2 ASP 55 -14.463 20.078 -9.353 1.00 0.00 ATOM 443 O ASP 55 -11.610 16.763 -6.728 1.00 0.00 ATOM 444 C ASP 55 -12.106 17.781 -6.260 1.00 0.00 ATOM 445 N HIS 56 -12.980 17.882 -5.144 1.00 0.00 ATOM 446 CA HIS 56 -13.375 16.711 -4.354 1.00 0.00 ATOM 447 CB HIS 56 -14.248 16.055 -5.893 1.00 0.00 ATOM 448 CG HIS 56 -15.301 15.021 -5.578 1.00 0.00 ATOM 449 CD2 HIS 56 -16.542 15.296 -5.059 1.00 0.00 ATOM 450 ND1 HIS 56 -15.159 13.685 -5.674 1.00 0.00 ATOM 451 CE1 HIS 56 -16.265 13.128 -5.264 1.00 0.00 ATOM 452 NE2 HIS 56 -17.138 14.123 -4.876 1.00 0.00 ATOM 453 O HIS 56 -13.649 14.899 -2.829 1.00 0.00 ATOM 454 C HIS 56 -13.282 15.250 -3.938 1.00 0.00 ATOM 455 N ASP 57 -12.503 14.424 -4.701 1.00 0.00 ATOM 456 CA ASP 57 -12.367 12.990 -4.440 1.00 0.00 ATOM 457 CB ASP 57 -11.616 12.235 -5.453 1.00 0.00 ATOM 458 CG ASP 57 -12.517 11.810 -6.577 1.00 0.00 ATOM 459 OD1 ASP 57 -13.625 11.305 -6.301 1.00 0.00 ATOM 460 OD2 ASP 57 -12.107 11.972 -7.737 1.00 0.00 ATOM 461 O ASP 57 -11.824 11.914 -2.367 1.00 0.00 ATOM 462 C ASP 57 -11.504 12.760 -3.202 1.00 0.00 ATOM 463 N LEU 58 -10.469 13.557 -3.039 1.00 0.00 ATOM 464 CA LEU 58 -9.606 13.411 -1.871 1.00 0.00 ATOM 465 CB LEU 58 -8.386 14.292 -1.946 1.00 0.00 ATOM 466 CG LEU 58 -7.352 13.718 -2.941 1.00 0.00 ATOM 467 CD1 LEU 58 -6.235 14.638 -3.089 1.00 0.00 ATOM 468 CD2 LEU 58 -6.845 12.312 -2.501 1.00 0.00 ATOM 469 O LEU 58 -10.267 13.133 0.427 1.00 0.00 ATOM 470 C LEU 58 -10.381 13.799 -0.608 1.00 0.00 ATOM 471 N GLN 59 -11.138 14.789 -0.714 1.00 0.00 ATOM 472 CA GLN 59 -11.969 15.199 0.423 1.00 0.00 ATOM 473 CB GLN 59 -12.654 16.521 0.184 1.00 0.00 ATOM 474 CG GLN 59 -11.662 17.671 0.147 1.00 0.00 ATOM 475 CD GLN 59 -12.337 19.005 0.048 1.00 0.00 ATOM 476 OE1 GLN 59 -13.064 19.387 0.968 1.00 0.00 ATOM 477 NE2 GLN 59 -12.155 19.692 -1.070 1.00 0.00 ATOM 478 O GLN 59 -13.298 13.913 1.966 1.00 0.00 ATOM 479 C GLN 59 -13.016 14.158 0.793 1.00 0.00 ATOM 480 N PHE 60 -13.689 13.605 -0.215 1.00 0.00 ATOM 481 CA PHE 60 -14.606 12.482 -0.020 1.00 0.00 ATOM 482 CB PHE 60 -15.251 12.149 -1.391 1.00 0.00 ATOM 483 CG PHE 60 -15.868 10.770 -1.445 1.00 0.00 ATOM 484 CD1 PHE 60 -17.149 10.578 -0.941 1.00 0.00 ATOM 485 CD2 PHE 60 -15.171 9.705 -1.992 1.00 0.00 ATOM 486 CE1 PHE 60 -17.746 9.315 -0.984 1.00 0.00 ATOM 487 CE2 PHE 60 -15.760 8.451 -2.061 1.00 0.00 ATOM 488 CZ PHE 60 -17.040 8.251 -1.540 1.00 0.00 ATOM 489 O PHE 60 -14.382 10.623 1.499 1.00 0.00 ATOM 490 C PHE 60 -13.870 11.287 0.603 1.00 0.00 ATOM 491 N ILE 61 -12.552 10.981 0.294 1.00 0.00 ATOM 492 CA ILE 61 -11.747 10.033 1.060 1.00 0.00 ATOM 493 CB ILE 61 -10.383 9.809 0.296 1.00 0.00 ATOM 494 CG1 ILE 61 -10.574 8.966 -0.964 1.00 0.00 ATOM 495 CG2 ILE 61 -9.334 9.175 1.223 1.00 0.00 ATOM 496 CD1 ILE 61 -9.431 9.080 -1.929 1.00 0.00 ATOM 497 O ILE 61 -11.463 9.674 3.421 1.00 0.00 ATOM 498 C ILE 61 -11.603 10.497 2.511 1.00 0.00 ATOM 499 N GLU 62 -11.312 11.758 2.720 1.00 0.00 ATOM 500 CA GLU 62 -11.179 12.304 4.080 1.00 0.00 ATOM 501 CB GLU 62 -10.904 13.814 4.005 1.00 0.00 ATOM 502 CG GLU 62 -11.017 14.527 5.349 1.00 0.00 ATOM 503 CD GLU 62 -10.899 16.041 5.224 1.00 0.00 ATOM 504 OE1 GLU 62 -11.130 16.745 6.234 1.00 0.00 ATOM 505 OE2 GLU 62 -10.573 16.522 4.116 1.00 0.00 ATOM 506 O GLU 62 -12.317 11.666 6.102 1.00 0.00 ATOM 507 C GLU 62 -12.422 12.038 4.932 1.00 0.00 ATOM 508 N ARG 63 -13.580 12.274 4.363 1.00 0.00 ATOM 509 CA ARG 63 -14.828 12.034 5.083 1.00 0.00 ATOM 510 CB ARG 63 -16.002 12.631 4.234 1.00 0.00 ATOM 511 CG ARG 63 -16.192 14.137 4.435 1.00 0.00 ATOM 512 CD ARG 63 -17.085 14.791 3.388 1.00 0.00 ATOM 513 NE ARG 63 -16.379 14.979 2.123 1.00 0.00 ATOM 514 CZ ARG 63 -16.778 15.794 1.151 1.00 0.00 ATOM 515 NH1 ARG 63 -16.067 15.897 0.037 1.00 0.00 ATOM 516 NH2 ARG 63 -17.885 16.510 1.293 1.00 0.00 ATOM 517 O ARG 63 -15.526 10.205 6.415 1.00 0.00 ATOM 518 C ARG 63 -14.987 10.576 5.372 1.00 0.00 ATOM 519 N ILE 64 -14.639 9.690 4.420 1.00 0.00 ATOM 520 CA ILE 64 -14.712 8.244 4.679 1.00 0.00 ATOM 521 CB ILE 64 -14.312 7.469 3.431 1.00 0.00 ATOM 522 CG1 ILE 64 -15.337 7.617 2.317 1.00 0.00 ATOM 523 CG2 ILE 64 -14.119 5.983 3.767 1.00 0.00 ATOM 524 CD1 ILE 64 -14.927 7.041 0.991 1.00 0.00 ATOM 525 O ILE 64 -14.373 7.428 6.888 1.00 0.00 ATOM 526 C ILE 64 -13.844 7.880 5.880 1.00 0.00 ATOM 527 N GLU 65 -12.600 8.338 5.903 1.00 0.00 ATOM 528 CA GLU 65 -11.710 8.048 7.030 1.00 0.00 ATOM 529 CB GLU 65 -10.357 7.558 6.556 1.00 0.00 ATOM 530 CG GLU 65 -10.376 6.176 5.907 1.00 0.00 ATOM 531 CD GLU 65 -10.998 5.101 6.788 1.00 0.00 ATOM 532 OE1 GLU 65 -10.762 5.110 8.010 1.00 0.00 ATOM 533 OE2 GLU 65 -11.709 4.229 6.250 1.00 0.00 ATOM 534 O GLU 65 -11.360 10.422 7.273 1.00 0.00 ATOM 535 C GLU 65 -11.525 9.333 7.835 1.00 0.00 ATOM 536 N GLN 66 -11.280 9.142 9.189 1.00 0.00 ATOM 537 CA GLN 66 -10.866 10.234 10.075 1.00 0.00 ATOM 538 CB GLN 66 -10.614 9.832 11.516 1.00 0.00 ATOM 539 CG GLN 66 -11.755 8.968 12.075 1.00 0.00 ATOM 540 CD GLN 66 -11.677 8.833 13.579 1.00 0.00 ATOM 541 OE1 GLN 66 -12.709 8.679 14.254 1.00 0.00 ATOM 542 NE2 GLN 66 -10.460 8.933 14.118 1.00 0.00 ATOM 543 O GLN 66 -8.837 10.286 8.822 1.00 0.00 ATOM 544 C GLN 66 -9.595 10.916 9.547 1.00 0.00 ATOM 545 N ASP 67 -9.479 12.229 9.788 1.00 0.00 ATOM 546 CA ASP 67 -8.289 12.937 9.254 1.00 0.00 ATOM 547 CB ASP 67 -8.246 14.369 10.163 1.00 0.00 ATOM 548 CG ASP 67 -9.542 15.031 10.548 1.00 0.00 ATOM 549 OD1 ASP 67 -10.599 14.773 9.944 1.00 0.00 ATOM 550 OD2 ASP 67 -9.425 15.858 11.496 1.00 0.00 ATOM 551 O ASP 67 -5.971 12.278 9.116 1.00 0.00 ATOM 552 C ASP 67 -6.990 12.402 9.830 1.00 0.00 ATOM 553 N GLU 68 -7.000 12.083 11.108 1.00 0.00 ATOM 554 CA GLU 68 -5.794 11.557 11.744 1.00 0.00 ATOM 555 CB GLU 68 -5.976 11.488 13.247 1.00 0.00 ATOM 556 CG GLU 68 -6.143 12.863 13.893 1.00 0.00 ATOM 557 CD GLU 68 -4.975 13.808 13.760 1.00 0.00 ATOM 558 OE1 GLU 68 -3.823 13.371 13.627 1.00 0.00 ATOM 559 OE2 GLU 68 -5.200 15.036 13.831 1.00 0.00 ATOM 560 O GLU 68 -4.315 9.878 10.868 1.00 0.00 ATOM 561 C GLU 68 -5.478 10.193 11.130 1.00 0.00 ATOM 562 N LEU 69 -6.503 9.388 10.891 1.00 0.00 ATOM 563 CA LEU 69 -6.301 8.075 10.296 1.00 0.00 ATOM 564 CB LEU 69 -7.537 7.161 10.803 1.00 0.00 ATOM 565 CG LEU 69 -7.467 5.716 10.363 1.00 0.00 ATOM 566 CD1 LEU 69 -6.208 4.977 10.849 1.00 0.00 ATOM 567 CD2 LEU 69 -8.694 4.974 10.784 1.00 0.00 ATOM 568 O LEU 69 -5.316 7.126 8.323 1.00 0.00 ATOM 569 C LEU 69 -5.867 8.096 8.841 1.00 0.00 ATOM 570 N PHE 70 -6.077 9.284 8.147 1.00 0.00 ATOM 571 CA PHE 70 -5.726 9.456 6.751 1.00 0.00 ATOM 572 CB PHE 70 -5.638 10.960 6.381 1.00 0.00 ATOM 573 CG PHE 70 -5.161 11.215 5.003 1.00 0.00 ATOM 574 CD1 PHE 70 -5.805 10.720 3.886 1.00 0.00 ATOM 575 CD2 PHE 70 -4.056 11.957 4.822 1.00 0.00 ATOM 576 CE1 PHE 70 -5.324 10.984 2.617 1.00 0.00 ATOM 577 CE2 PHE 70 -3.590 12.248 3.547 1.00 0.00 ATOM 578 CZ PHE 70 -4.229 11.767 2.462 1.00 0.00 ATOM 579 O PHE 70 -4.432 7.912 5.446 1.00 0.00 ATOM 580 C PHE 70 -4.419 8.782 6.323 1.00 0.00 ATOM 581 N TYR 71 -3.321 9.134 7.020 1.00 0.00 ATOM 582 CA TYR 71 -2.056 8.453 6.795 1.00 0.00 ATOM 583 CB TYR 71 -0.861 9.044 7.397 1.00 0.00 ATOM 584 CG TYR 71 -0.368 10.164 6.498 1.00 0.00 ATOM 585 CD1 TYR 71 0.154 9.886 5.233 1.00 0.00 ATOM 586 CD2 TYR 71 -0.487 11.500 6.878 1.00 0.00 ATOM 587 CE1 TYR 71 0.537 10.910 4.368 1.00 0.00 ATOM 588 CE2 TYR 71 -0.105 12.534 6.020 1.00 0.00 ATOM 589 CZ TYR 71 0.404 12.230 4.769 1.00 0.00 ATOM 590 OH TYR 71 0.774 13.245 3.915 1.00 0.00 ATOM 591 O TYR 71 -1.793 5.890 6.730 1.00 0.00 ATOM 592 C TYR 71 -2.090 6.986 7.199 1.00 0.00 ATOM 593 N PRO 72 -3.449 6.662 2.713 1.00 0.00 ATOM 594 CA PRO 72 -4.139 5.832 1.715 1.00 0.00 ATOM 595 CB PRO 72 -3.287 4.571 1.673 1.00 0.00 ATOM 596 CG PRO 72 -1.926 5.119 1.898 1.00 0.00 ATOM 597 CD PRO 72 -2.085 6.131 2.990 1.00 0.00 ATOM 598 O PRO 72 -5.890 5.707 3.330 1.00 0.00 ATOM 599 C PRO 72 -5.550 5.462 2.177 1.00 0.00 ATOM 600 N LEU 73 -6.411 5.038 1.251 1.00 0.00 ATOM 601 CA LEU 73 -7.822 4.784 1.528 1.00 0.00 ATOM 602 CB LEU 73 -8.732 5.927 1.052 1.00 0.00 ATOM 603 CG LEU 73 -10.229 5.599 1.176 1.00 0.00 ATOM 604 CD1 LEU 73 -10.637 5.425 2.654 1.00 0.00 ATOM 605 CD2 LEU 73 -11.047 6.669 0.490 1.00 0.00 ATOM 606 O LEU 73 -8.010 3.420 -0.444 1.00 0.00 ATOM 607 C LEU 73 -8.025 3.466 0.788 1.00 0.00 ATOM 608 N ILE 74 -8.223 2.390 1.561 1.00 0.00 ATOM 609 CA ILE 74 -8.434 1.060 1.004 1.00 0.00 ATOM 610 CB ILE 74 -7.815 -0.060 1.891 1.00 0.00 ATOM 611 CG1 ILE 74 -6.350 0.245 2.223 1.00 0.00 ATOM 612 CG2 ILE 74 -7.945 -1.407 1.206 1.00 0.00 ATOM 613 CD1 ILE 74 -5.449 0.339 1.022 1.00 0.00 ATOM 614 O ILE 74 -10.623 0.755 1.903 1.00 0.00 ATOM 615 C ILE 74 -9.928 0.771 0.889 1.00 0.00 ATOM 616 N THR 75 -10.363 0.374 -0.306 1.00 0.00 ATOM 617 CA THR 75 -11.686 -0.108 -0.660 1.00 0.00 ATOM 618 CB THR 75 -12.496 0.981 -1.482 1.00 0.00 ATOM 619 CG2 THR 75 -11.805 1.183 -2.810 1.00 0.00 ATOM 620 OG1 THR 75 -13.849 0.536 -1.653 1.00 0.00 ATOM 621 O THR 75 -11.394 -1.902 -2.246 1.00 0.00 ATOM 622 C THR 75 -11.559 -1.582 -1.066 1.00 0.00 ATOM 623 N MET 76 -11.811 -2.493 -0.130 1.00 0.00 ATOM 624 CA MET 76 -11.918 -3.914 -0.423 1.00 0.00 ATOM 625 CB MET 76 -11.692 -4.679 0.794 1.00 0.00 ATOM 626 CG MET 76 -11.795 -6.130 0.425 1.00 0.00 ATOM 627 SD MET 76 -10.533 -6.529 -0.827 1.00 0.00 ATOM 628 CE MET 76 -9.032 -6.632 0.129 1.00 0.00 ATOM 629 O MET 76 -14.181 -4.480 -0.067 1.00 0.00 ATOM 630 C MET 76 -13.363 -4.099 -0.898 1.00 0.00 ATOM 631 N ASN 77 -13.553 -4.334 -2.201 1.00 0.00 ATOM 632 CA ASN 77 -14.819 -4.596 -2.882 1.00 0.00 ATOM 633 CB ASN 77 -15.217 -6.066 -2.725 1.00 0.00 ATOM 634 CG ASN 77 -16.413 -6.441 -3.576 1.00 0.00 ATOM 635 ND2 ASN 77 -17.101 -7.509 -3.189 1.00 0.00 ATOM 636 OD1 ASN 77 -16.716 -5.776 -4.565 1.00 0.00 ATOM 637 O ASN 77 -16.573 -4.127 -1.331 1.00 0.00 ATOM 638 C ASN 77 -15.972 -3.763 -2.342 1.00 0.00 ATOM 639 N ASP 78 -16.109 -2.518 -2.986 1.00 0.00 ATOM 640 CA ASP 78 -17.059 -1.541 -2.462 1.00 0.00 ATOM 641 CB ASP 78 -18.480 -1.876 -2.920 1.00 0.00 ATOM 642 CG ASP 78 -18.651 -1.756 -4.422 1.00 0.00 ATOM 643 OD1 ASP 78 -18.317 -0.688 -4.976 1.00 0.00 ATOM 644 OD2 ASP 78 -19.122 -2.730 -5.047 1.00 0.00 ATOM 645 O ASP 78 -18.210 -0.947 -0.406 1.00 0.00 ATOM 646 C ASP 78 -17.149 -1.352 -0.946 1.00 0.00 ATOM 647 N GLU 79 -16.095 -1.763 -0.253 1.00 0.00 ATOM 648 CA GLU 79 -16.069 -1.647 1.207 1.00 0.00 ATOM 649 CB GLU 79 -16.080 -2.986 1.945 1.00 0.00 ATOM 650 CG GLU 79 -16.047 -2.858 3.461 1.00 0.00 ATOM 651 CD GLU 79 -16.083 -4.205 4.159 1.00 0.00 ATOM 652 OE1 GLU 79 -16.063 -5.238 3.458 1.00 0.00 ATOM 653 OE2 GLU 79 -16.134 -4.225 5.405 1.00 0.00 ATOM 654 O GLU 79 -13.708 -1.291 0.951 1.00 0.00 ATOM 655 C GLU 79 -14.784 -0.862 1.397 1.00 0.00 ATOM 656 N TYR 80 -14.848 0.333 2.147 1.00 0.00 ATOM 657 CA TYR 80 -13.674 1.151 2.407 1.00 0.00 ATOM 658 CB TYR 80 -13.952 2.623 2.096 1.00 0.00 ATOM 659 CG TYR 80 -14.441 2.932 0.728 1.00 0.00 ATOM 660 CD1 TYR 80 -15.647 2.410 0.259 1.00 0.00 ATOM 661 CD2 TYR 80 -13.751 3.795 -0.078 1.00 0.00 ATOM 662 CE1 TYR 80 -16.129 2.730 -0.984 1.00 0.00 ATOM 663 CE2 TYR 80 -14.213 4.117 -1.326 1.00 0.00 ATOM 664 CZ TYR 80 -15.402 3.588 -1.779 1.00 0.00 ATOM 665 OH TYR 80 -15.845 3.929 -3.033 1.00 0.00 ATOM 666 O TYR 80 -13.785 1.144 4.768 1.00 0.00 ATOM 667 C TYR 80 -13.233 0.663 3.777 1.00 0.00 ATOM 668 N VAL 81 -12.063 0.031 3.873 1.00 0.00 ATOM 669 CA VAL 81 -11.598 -0.528 5.128 1.00 0.00 ATOM 670 CB VAL 81 -10.678 -1.727 4.959 1.00 0.00 ATOM 671 CG1 VAL 81 -11.478 -2.876 4.303 1.00 0.00 ATOM 672 CG2 VAL 81 -9.433 -1.365 4.149 1.00 0.00 ATOM 673 O VAL 81 -10.978 0.557 7.188 1.00 0.00 ATOM 674 C VAL 81 -10.924 0.567 5.958 1.00 0.00 ATOM 675 N ALA 82 -10.203 1.419 5.115 1.00 0.00 ATOM 676 CA ALA 82 -9.475 2.480 5.767 1.00 0.00 ATOM 677 CB ALA 82 -9.322 2.219 7.252 1.00 0.00 ATOM 678 O ALA 82 -7.758 1.817 4.225 1.00 0.00 ATOM 679 C ALA 82 -8.069 2.543 5.169 1.00 0.00 ATOM 680 N ASP 83 -7.273 3.337 5.893 1.00 0.00 ATOM 681 CA ASP 83 -5.895 3.529 5.459 1.00 0.00 ATOM 682 CB ASP 83 -5.508 5.000 5.539 1.00 0.00 ATOM 683 CG ASP 83 -6.373 5.806 6.504 1.00 0.00 ATOM 684 OD1 ASP 83 -7.571 6.033 6.200 1.00 0.00 ATOM 685 OD2 ASP 83 -5.860 6.213 7.570 1.00 0.00 ATOM 686 O ASP 83 -5.468 2.081 7.312 1.00 0.00 ATOM 687 C ASP 83 -4.984 2.828 6.462 1.00 0.00 ATOM 688 N GLY 84 -3.709 2.962 6.330 1.00 0.00 ATOM 689 CA GLY 84 -2.804 2.243 7.200 1.00 0.00 ATOM 690 O GLY 84 -1.010 3.355 6.042 1.00 0.00 ATOM 691 C GLY 84 -1.426 2.895 7.123 1.00 0.00 ATOM 692 N TYR 85 -0.639 2.661 8.161 1.00 0.00 ATOM 693 CA TYR 85 0.762 3.091 8.213 1.00 0.00 ATOM 694 CB TYR 85 1.090 3.656 9.570 1.00 0.00 ATOM 695 CG TYR 85 0.527 5.047 9.782 1.00 0.00 ATOM 696 CD1 TYR 85 -0.801 5.204 10.117 1.00 0.00 ATOM 697 CD2 TYR 85 1.328 6.168 9.686 1.00 0.00 ATOM 698 CE1 TYR 85 -1.352 6.453 10.337 1.00 0.00 ATOM 699 CE2 TYR 85 0.779 7.441 9.911 1.00 0.00 ATOM 700 CZ TYR 85 -0.565 7.555 10.241 1.00 0.00 ATOM 701 OH TYR 85 -1.175 8.776 10.458 1.00 0.00 ATOM 702 O TYR 85 0.915 0.870 9.100 1.00 0.00 ATOM 703 C TYR 85 0.274 1.916 9.043 1.00 0.00 ATOM 704 N ILE 86 -0.884 1.963 9.848 1.00 0.00 ATOM 705 CA ILE 86 -1.391 0.915 10.723 1.00 0.00 ATOM 706 CB ILE 86 -1.828 1.721 12.124 1.00 0.00 ATOM 707 CG1 ILE 86 -1.831 0.771 13.337 1.00 0.00 ATOM 708 CG2 ILE 86 -3.194 2.355 11.922 1.00 0.00 ATOM 709 CD1 ILE 86 -0.437 0.289 13.773 1.00 0.00 ATOM 710 O ILE 86 -2.502 -1.190 10.890 1.00 0.00 ATOM 711 C ILE 86 -2.589 -0.015 10.530 1.00 0.00 ATOM 712 N GLN 87 -3.552 0.440 9.707 1.00 0.00 ATOM 713 CA GLN 87 -4.716 -0.374 9.390 1.00 0.00 ATOM 714 CB GLN 87 -5.805 0.530 8.820 1.00 0.00 ATOM 715 CG GLN 87 -7.143 -0.095 8.550 1.00 0.00 ATOM 716 CD GLN 87 -7.995 -0.511 9.724 1.00 0.00 ATOM 717 OE1 GLN 87 -9.010 -1.188 9.512 1.00 0.00 ATOM 718 NE2 GLN 87 -7.665 -0.165 10.958 1.00 0.00 ATOM 719 O GLN 87 -4.838 -2.592 8.526 1.00 0.00 ATOM 720 C GLN 87 -4.258 -1.518 8.490 1.00 0.00 ATOM 721 N THR 88 -3.061 -1.277 7.755 1.00 0.00 ATOM 722 CA THR 88 -2.516 -2.318 6.879 1.00 0.00 ATOM 723 CB THR 88 -1.387 -1.712 5.977 1.00 0.00 ATOM 724 CG2 THR 88 -0.839 -2.765 5.019 1.00 0.00 ATOM 725 OG1 THR 88 -1.908 -0.611 5.223 1.00 0.00 ATOM 726 O THR 88 -2.065 -4.644 7.228 1.00 0.00 ATOM 727 C THR 88 -1.977 -3.501 7.675 1.00 0.00 ATOM 728 N LYS 89 -1.349 -3.229 8.818 1.00 0.00 ATOM 729 CA LYS 89 -0.816 -4.316 9.627 1.00 0.00 ATOM 730 CB LYS 89 0.062 -3.268 10.720 1.00 0.00 ATOM 731 CG LYS 89 1.412 -2.709 10.246 1.00 0.00 ATOM 732 CD LYS 89 1.722 -1.358 10.877 1.00 0.00 ATOM 733 CE LYS 89 3.097 -0.858 10.459 1.00 0.00 ATOM 734 NZ LYS 89 3.305 0.566 10.850 1.00 0.00 ATOM 735 O LYS 89 -1.940 -6.414 9.982 1.00 0.00 ATOM 736 C LYS 89 -2.002 -5.186 10.042 1.00 0.00 ATOM 737 N GLN 90 -3.058 -4.523 10.409 1.00 0.00 ATOM 738 CA GLN 90 -4.268 -5.229 10.800 1.00 0.00 ATOM 739 CB GLN 90 -5.262 -4.346 11.635 1.00 0.00 ATOM 740 CG GLN 90 -4.702 -3.817 12.939 1.00 0.00 ATOM 741 CD GLN 90 -5.598 -2.775 13.554 1.00 0.00 ATOM 742 OE1 GLN 90 -6.666 -2.480 13.014 1.00 0.00 ATOM 743 NE2 GLN 90 -5.157 -2.172 14.653 1.00 0.00 ATOM 744 O GLN 90 -5.317 -7.079 9.611 1.00 0.00 ATOM 745 C GLN 90 -4.941 -5.895 9.584 1.00 0.00 ATOM 746 N ILE 91 -4.987 -5.109 8.513 1.00 0.00 ATOM 747 CA ILE 91 -5.556 -5.618 7.242 1.00 0.00 ATOM 748 CB ILE 91 -5.630 -4.432 6.248 1.00 0.00 ATOM 749 CG1 ILE 91 -6.718 -3.433 6.681 1.00 0.00 ATOM 750 CG2 ILE 91 -5.800 -4.885 4.811 1.00 0.00 ATOM 751 CD1 ILE 91 -6.614 -2.125 5.911 1.00 0.00 ATOM 752 O ILE 91 -5.296 -7.667 6.025 1.00 0.00 ATOM 753 C ILE 91 -4.743 -6.798 6.694 1.00 0.00 ATOM 754 N THR 92 -3.420 -6.694 6.754 1.00 0.00 ATOM 755 CA THR 92 -2.574 -7.785 6.274 1.00 0.00 ATOM 756 CB THR 92 -1.051 -7.464 6.271 1.00 0.00 ATOM 757 CG2 THR 92 -0.743 -6.241 5.372 1.00 0.00 ATOM 758 OG1 THR 92 -0.702 -7.241 7.646 1.00 0.00 ATOM 759 O THR 92 -2.707 -10.145 6.627 1.00 0.00 ATOM 760 C THR 92 -2.860 -9.031 7.122 1.00 0.00 ATOM 761 N ARG 93 -3.356 -8.815 8.334 1.00 0.00 ATOM 762 CA ARG 93 -3.715 -9.965 9.181 1.00 0.00 ATOM 763 CB ARG 93 -3.908 -9.634 10.597 1.00 0.00 ATOM 764 CG ARG 93 -2.600 -9.253 11.258 1.00 0.00 ATOM 765 CD ARG 93 -2.776 -8.875 12.724 1.00 0.00 ATOM 766 NE ARG 93 -1.748 -7.910 13.088 1.00 0.00 ATOM 767 CZ ARG 93 -1.989 -6.671 13.497 1.00 0.00 ATOM 768 NH1 ARG 93 -3.234 -6.223 13.616 1.00 0.00 ATOM 769 NH2 ARG 93 -0.975 -5.869 13.749 1.00 0.00 ATOM 770 O ARG 93 -5.204 -11.648 8.433 1.00 0.00 ATOM 771 C ARG 93 -4.881 -10.469 8.355 1.00 0.00 ATOM 772 N PHE 94 -5.604 -9.646 7.499 1.00 0.00 ATOM 773 CA PHE 94 -6.724 -10.148 6.671 1.00 0.00 ATOM 774 CB PHE 94 -7.880 -9.733 7.580 1.00 0.00 ATOM 775 CG PHE 94 -7.948 -10.364 8.936 1.00 0.00 ATOM 776 CD1 PHE 94 -8.092 -11.743 9.060 1.00 0.00 ATOM 777 CD2 PHE 94 -7.926 -9.601 10.079 1.00 0.00 ATOM 778 CE1 PHE 94 -8.180 -12.328 10.306 1.00 0.00 ATOM 779 CE2 PHE 94 -8.019 -10.174 11.336 1.00 0.00 ATOM 780 CZ PHE 94 -8.144 -11.544 11.451 1.00 0.00 ATOM 781 O PHE 94 -8.175 -10.160 4.750 1.00 0.00 ATOM 782 C PHE 94 -7.181 -9.665 5.286 1.00 0.00 ATOM 783 N ILE 95 -6.598 -8.552 4.825 1.00 0.00 ATOM 784 CA ILE 95 -6.881 -7.898 3.557 1.00 0.00 ATOM 785 CB ILE 95 -5.957 -6.774 3.309 1.00 0.00 ATOM 786 CG1 ILE 95 -6.546 -5.827 2.257 1.00 0.00 ATOM 787 CG2 ILE 95 -4.590 -7.233 2.985 1.00 0.00 ATOM 788 CD1 ILE 95 -7.917 -5.247 2.610 1.00 0.00 ATOM 789 O ILE 95 -7.465 -8.834 1.459 1.00 0.00 ATOM 790 C ILE 95 -6.685 -8.870 2.402 1.00 0.00 ATOM 791 N ASP 96 -5.638 -9.701 2.438 1.00 0.00 ATOM 792 CA ASP 96 -5.317 -10.602 1.334 1.00 0.00 ATOM 793 CB ASP 96 -4.043 -11.372 1.520 1.00 0.00 ATOM 794 CG ASP 96 -2.807 -10.472 1.531 1.00 0.00 ATOM 795 OD1 ASP 96 -1.807 -11.015 2.076 1.00 0.00 ATOM 796 OD2 ASP 96 -2.890 -9.314 1.044 1.00 0.00 ATOM 797 O ASP 96 -6.962 -11.803 0.061 1.00 0.00 ATOM 798 C ASP 96 -6.466 -11.598 1.171 1.00 0.00 ATOM 799 N GLN 97 -6.943 -12.168 2.272 1.00 0.00 ATOM 800 CA GLN 97 -8.035 -13.135 2.229 1.00 0.00 ATOM 801 CB GLN 97 -8.132 -13.834 3.607 1.00 0.00 ATOM 802 CG GLN 97 -6.895 -14.680 3.918 1.00 0.00 ATOM 803 CD GLN 97 -6.816 -15.138 5.363 1.00 0.00 ATOM 804 OE1 GLN 97 -7.292 -14.462 6.271 1.00 0.00 ATOM 805 NE2 GLN 97 -6.192 -16.289 5.582 1.00 0.00 ATOM 806 O GLN 97 -10.071 -13.041 0.965 1.00 0.00 ATOM 807 C GLN 97 -9.340 -12.479 1.780 1.00 0.00 ATOM 808 N LYS 98 -9.610 -11.298 2.315 1.00 0.00 ATOM 809 CA LYS 98 -10.820 -10.570 1.949 1.00 0.00 ATOM 810 CB LYS 98 -10.853 -9.267 2.751 1.00 0.00 ATOM 811 CG LYS 98 -11.125 -9.457 4.234 1.00 0.00 ATOM 812 CD LYS 98 -11.173 -8.124 4.962 1.00 0.00 ATOM 813 CE LYS 98 -11.471 -8.313 6.442 1.00 0.00 ATOM 814 NZ LYS 98 -11.465 -7.019 7.178 1.00 0.00 ATOM 815 O LYS 98 -11.835 -10.372 -0.224 1.00 0.00 ATOM 816 C LYS 98 -10.813 -10.237 0.458 1.00 0.00 ATOM 817 N LEU 99 -9.677 -9.732 -0.044 1.00 0.00 ATOM 818 CA LEU 99 -9.552 -9.367 -1.454 1.00 0.00 ATOM 819 CB LEU 99 -8.119 -8.890 -1.610 1.00 0.00 ATOM 820 CG LEU 99 -7.941 -8.622 -3.073 1.00 0.00 ATOM 821 CD1 LEU 99 -9.184 -7.895 -3.583 1.00 0.00 ATOM 822 CD2 LEU 99 -6.695 -7.775 -3.240 1.00 0.00 ATOM 823 O LEU 99 -10.476 -10.476 -3.378 1.00 0.00 ATOM 824 C LEU 99 -9.809 -10.583 -2.353 1.00 0.00 ATOM 825 N VAL 100 -9.225 -11.699 -1.997 1.00 0.00 ATOM 826 CA VAL 100 -9.423 -12.913 -2.784 1.00 0.00 ATOM 827 CB VAL 100 -8.494 -14.069 -2.312 1.00 0.00 ATOM 828 CG1 VAL 100 -8.804 -15.380 -3.030 1.00 0.00 ATOM 829 CG2 VAL 100 -7.025 -13.627 -2.464 1.00 0.00 ATOM 830 O VAL 100 -11.475 -13.743 -3.714 1.00 0.00 ATOM 831 C VAL 100 -10.914 -13.313 -2.739 1.00 0.00 ATOM 832 N ASN 101 -11.526 -13.257 -1.565 1.00 0.00 ATOM 833 CA ASN 101 -12.946 -13.566 -1.460 1.00 0.00 ATOM 834 CB ASN 101 -13.437 -13.391 -0.008 1.00 0.00 ATOM 835 CG ASN 101 -12.975 -14.484 0.925 1.00 0.00 ATOM 836 ND2 ASN 101 -12.998 -14.168 2.223 1.00 0.00 ATOM 837 OD1 ASN 101 -12.650 -15.588 0.513 1.00 0.00 ATOM 838 O ASN 101 -14.618 -13.143 -3.098 1.00 0.00 ATOM 839 C ASN 101 -13.802 -12.668 -2.331 1.00 0.00 ATOM 840 N GLU 102 -13.552 -11.364 -2.303 1.00 0.00 ATOM 841 CA GLU 102 -14.358 -10.408 -3.050 1.00 0.00 ATOM 842 CB GLU 102 -15.203 -9.558 -2.101 1.00 0.00 ATOM 843 CG GLU 102 -16.190 -10.315 -1.246 1.00 0.00 ATOM 844 CD GLU 102 -16.982 -9.398 -0.335 1.00 0.00 ATOM 845 OE1 GLU 102 -16.773 -8.167 -0.380 1.00 0.00 ATOM 846 OE2 GLU 102 -17.822 -9.906 0.434 1.00 0.00 ATOM 847 O GLU 102 -12.614 -8.801 -3.412 1.00 0.00 ATOM 848 C GLU 102 -13.535 -9.457 -3.904 1.00 0.00 TER END