PFRMAT TS TARGET T0242 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 model try18-opt2, which forms a rather different sheet than METHOD our first model, but scores reasonably well. REMARK 6 REMARK 6 T0242 model 2 Mon Aug 23 11:28:23 2004 MODEL 2 PARENT 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A REMARK 7 REMARK 7 ALLPARENTS 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A 1in8_A 1j7k_A REMARK 7 ALLPARENTS 1n3y_A 1g2y_A 1otr_B 1fxl_A 1sjy_A 1kgd_A 1uqr_A REMARK 7 ALLPARENTS 1byw_A 1nww_A 1ojq_A 1h9m_A 1h6t_A 1s96_A 1fm0_E REMARK 7 ALLPARENTS 1hh1_A ATOM 1 N MET 1 -2.144 -4.173 14.974 1.00 0.00 ATOM 2 CA MET 1 -3.323 -4.450 14.158 1.00 0.00 ATOM 3 CB MET 1 -3.883 -3.155 13.568 1.00 0.00 ATOM 4 CG MET 1 -4.513 -2.227 14.596 1.00 0.00 ATOM 5 SD MET 1 -5.042 -0.656 13.884 1.00 0.00 ATOM 6 CE MET 1 -6.401 -1.195 12.850 1.00 0.00 ATOM 7 O MET 1 -1.958 -6.425 14.054 1.00 0.00 ATOM 8 C MET 1 -2.375 -5.425 13.466 1.00 0.00 ATOM 9 N GLY 2 -2.037 -5.122 12.215 1.00 0.00 ATOM 10 CA GLY 2 -1.145 -5.982 11.459 1.00 0.00 ATOM 11 O GLY 2 0.937 -7.069 11.445 1.00 0.00 ATOM 12 C GLY 2 0.283 -6.097 11.875 1.00 0.00 ATOM 13 N LYS 3 0.803 -5.146 12.640 1.00 0.00 ATOM 14 CA LYS 3 2.220 -5.134 13.001 1.00 0.00 ATOM 15 CB LYS 3 2.997 -3.926 12.477 1.00 0.00 ATOM 16 CG LYS 3 3.046 -3.827 10.961 1.00 0.00 ATOM 17 CD LYS 3 3.814 -4.991 10.357 1.00 0.00 ATOM 18 CE LYS 3 3.971 -4.829 8.854 1.00 0.00 ATOM 19 NZ LYS 3 2.679 -5.015 8.137 1.00 0.00 ATOM 20 O LYS 3 1.452 -4.428 15.169 1.00 0.00 ATOM 21 C LYS 3 2.350 -4.945 14.510 1.00 0.00 ATOM 22 N VAL 4 3.430 -5.400 15.051 1.00 0.00 ATOM 23 CA VAL 4 3.662 -5.286 16.481 1.00 0.00 ATOM 24 CB VAL 4 3.676 -6.676 17.145 1.00 0.00 ATOM 25 CG1 VAL 4 2.335 -7.369 16.957 1.00 0.00 ATOM 26 CG2 VAL 4 4.761 -7.548 16.532 1.00 0.00 ATOM 27 O VAL 4 5.917 -4.759 15.886 1.00 0.00 ATOM 28 C VAL 4 4.994 -4.582 16.680 1.00 0.00 ATOM 29 N PHE 5 5.104 -3.823 17.759 1.00 0.00 ATOM 30 CA PHE 5 6.339 -3.132 18.097 1.00 0.00 ATOM 31 CB PHE 5 6.095 -1.631 18.351 1.00 0.00 ATOM 32 CG PHE 5 7.298 -0.873 18.886 1.00 0.00 ATOM 33 CD1 PHE 5 8.161 -0.243 18.052 1.00 0.00 ATOM 34 CD2 PHE 5 7.540 -0.812 20.243 1.00 0.00 ATOM 35 CE1 PHE 5 9.256 0.503 18.564 1.00 0.00 ATOM 36 CE2 PHE 5 8.612 -0.136 20.748 1.00 0.00 ATOM 37 CZ PHE 5 9.483 0.495 19.912 1.00 0.00 ATOM 38 O PHE 5 6.287 -4.079 20.330 1.00 0.00 ATOM 39 C PHE 5 6.947 -3.864 19.294 1.00 0.00 ATOM 40 N LEU 6 8.226 -4.251 19.171 1.00 0.00 ATOM 41 CA LEU 6 8.924 -4.977 20.220 1.00 0.00 ATOM 42 CB LEU 6 9.384 -6.343 19.704 1.00 0.00 ATOM 43 CG LEU 6 10.185 -7.203 20.683 1.00 0.00 ATOM 44 CD1 LEU 6 9.334 -7.586 21.884 1.00 0.00 ATOM 45 CD2 LEU 6 10.662 -8.481 20.011 1.00 0.00 ATOM 46 O LEU 6 10.998 -3.867 19.770 1.00 0.00 ATOM 47 C LEU 6 10.146 -4.173 20.611 1.00 0.00 ATOM 48 N THR 7 10.194 -3.807 21.883 1.00 0.00 ATOM 49 CA THR 7 11.256 -2.979 22.407 1.00 0.00 ATOM 50 CB THR 7 11.235 -1.832 22.947 1.00 0.00 ATOM 51 CG2 THR 7 12.314 -1.660 24.001 1.00 0.00 ATOM 52 OG1 THR 7 11.555 -1.013 21.815 1.00 0.00 ATOM 53 O THR 7 11.644 -4.792 23.973 1.00 0.00 ATOM 54 C THR 7 12.096 -4.062 23.084 1.00 0.00 ATOM 55 N ASN 8 13.385 -3.965 22.767 1.00 0.00 ATOM 56 CA ASN 8 14.325 -4.929 23.333 1.00 0.00 ATOM 57 CB ASN 8 14.220 -6.084 22.484 1.00 0.00 ATOM 58 CG ASN 8 13.566 -6.155 21.119 1.00 0.00 ATOM 59 ND2 ASN 8 13.556 -7.353 20.541 1.00 0.00 ATOM 60 OD1 ASN 8 13.075 -5.160 20.587 1.00 0.00 ATOM 61 O ASN 8 15.809 -4.096 21.632 1.00 0.00 ATOM 62 C ASN 8 15.678 -4.754 22.659 1.00 0.00 ATOM 63 N ALA 9 16.624 -5.586 23.267 1.00 0.00 ATOM 64 CA ALA 9 17.962 -5.622 22.685 1.00 0.00 ATOM 65 CB ALA 9 18.980 -6.098 23.742 1.00 0.00 ATOM 66 O ALA 9 17.320 -7.448 21.261 1.00 0.00 ATOM 67 C ALA 9 18.014 -6.437 21.396 1.00 0.00 ATOM 68 N PHE 10 18.843 -5.994 20.456 1.00 0.00 ATOM 69 CA PHE 10 18.995 -6.669 19.180 1.00 0.00 ATOM 70 CB PHE 10 17.931 -6.170 18.201 1.00 0.00 ATOM 71 CG PHE 10 17.999 -4.695 17.929 1.00 0.00 ATOM 72 CD1 PHE 10 18.742 -4.206 16.868 1.00 0.00 ATOM 73 CD2 PHE 10 17.325 -3.795 18.735 1.00 0.00 ATOM 74 CE1 PHE 10 18.806 -2.847 16.618 1.00 0.00 ATOM 75 CE2 PHE 10 17.389 -2.438 18.486 1.00 0.00 ATOM 76 CZ PHE 10 18.125 -1.963 17.432 1.00 0.00 ATOM 77 O PHE 10 21.241 -5.867 19.367 1.00 0.00 ATOM 78 C PHE 10 20.391 -6.367 18.639 1.00 0.00 ATOM 79 N SER 11 20.645 -6.694 17.374 1.00 0.00 ATOM 80 CA SER 11 21.935 -6.405 16.786 1.00 0.00 ATOM 81 CB SER 11 22.877 -7.598 16.947 1.00 0.00 ATOM 82 OG SER 11 22.450 -8.695 16.158 1.00 0.00 ATOM 83 O SER 11 20.762 -6.019 14.732 1.00 0.00 ATOM 84 C SER 11 21.848 -6.099 15.311 1.00 0.00 ATOM 85 N ILE 12 23.040 -5.877 14.707 1.00 0.00 ATOM 86 CA ILE 12 23.034 -5.539 13.286 1.00 0.00 ATOM 87 CB ILE 12 24.462 -5.342 12.747 1.00 0.00 ATOM 88 CG1 ILE 12 25.098 -4.094 13.362 1.00 0.00 ATOM 89 CG2 ILE 12 24.443 -5.179 11.235 1.00 0.00 ATOM 90 CD1 ILE 12 26.583 -3.970 13.095 1.00 0.00 ATOM 91 O ILE 12 21.484 -6.378 11.658 1.00 0.00 ATOM 92 C ILE 12 22.339 -6.651 12.496 1.00 0.00 ATOM 93 N ASN 13 22.689 -7.904 12.785 1.00 0.00 ATOM 94 CA ASN 13 22.090 -9.053 12.098 1.00 0.00 ATOM 95 CB ASN 13 22.662 -10.360 12.649 1.00 0.00 ATOM 96 CG ASN 13 24.064 -10.643 12.143 1.00 0.00 ATOM 97 ND2 ASN 13 24.786 -11.502 12.852 1.00 0.00 ATOM 98 OD1 ASN 13 24.489 -10.094 11.127 1.00 0.00 ATOM 99 O ASN 13 19.774 -9.412 11.482 1.00 0.00 ATOM 100 C ASN 13 20.605 -9.078 12.334 1.00 0.00 ATOM 101 N MET 14 20.185 -8.713 13.587 1.00 0.00 ATOM 102 CA MET 14 18.749 -8.779 13.854 1.00 0.00 ATOM 103 CB MET 14 18.462 -8.470 15.325 1.00 0.00 ATOM 104 CG MET 14 18.941 -9.544 16.289 1.00 0.00 ATOM 105 SD MET 14 18.156 -11.141 15.996 1.00 0.00 ATOM 106 CE MET 14 16.471 -10.785 16.494 1.00 0.00 ATOM 107 O MET 14 16.872 -8.005 12.559 1.00 0.00 ATOM 108 C MET 14 17.996 -7.774 13.002 1.00 0.00 ATOM 109 N LEU 15 18.608 -6.569 12.841 1.00 0.00 ATOM 110 CA LEU 15 17.968 -5.545 12.027 1.00 0.00 ATOM 111 CB LEU 15 18.651 -4.178 12.431 1.00 0.00 ATOM 112 CG LEU 15 18.271 -2.898 11.729 1.00 0.00 ATOM 113 CD1 LEU 15 16.844 -2.617 11.864 1.00 0.00 ATOM 114 CD2 LEU 15 18.968 -1.628 12.272 1.00 0.00 ATOM 115 O LEU 15 17.117 -5.625 9.780 1.00 0.00 ATOM 116 C LEU 15 18.045 -5.919 10.550 1.00 0.00 ATOM 117 N LYS 16 19.187 -6.504 10.126 1.00 0.00 ATOM 118 CA LYS 16 19.198 -6.986 8.727 1.00 0.00 ATOM 119 CB LYS 16 20.550 -7.618 8.388 1.00 0.00 ATOM 120 CG LYS 16 21.693 -6.622 8.287 1.00 0.00 ATOM 121 CD LYS 16 23.002 -7.317 7.946 1.00 0.00 ATOM 122 CE LYS 16 24.150 -6.323 7.870 1.00 0.00 ATOM 123 NZ LYS 16 25.446 -6.993 7.570 1.00 0.00 ATOM 124 O LYS 16 17.514 -8.062 7.394 1.00 0.00 ATOM 125 C LYS 16 18.119 -8.036 8.484 1.00 0.00 ATOM 126 N GLU 17 17.879 -8.942 9.429 1.00 0.00 ATOM 127 CA GLU 17 16.798 -9.910 9.300 1.00 0.00 ATOM 128 CB GLU 17 16.783 -10.861 10.498 1.00 0.00 ATOM 129 CG GLU 17 17.945 -11.841 10.528 1.00 0.00 ATOM 130 CD GLU 17 17.965 -12.681 11.790 1.00 0.00 ATOM 131 OE1 GLU 17 17.116 -12.447 12.674 1.00 0.00 ATOM 132 OE2 GLU 17 18.833 -13.575 11.894 1.00 0.00 ATOM 133 O GLU 17 14.551 -9.710 8.489 1.00 0.00 ATOM 134 C GLU 17 15.436 -9.249 9.227 1.00 0.00 ATOM 135 N PHE 18 15.281 -8.030 9.925 1.00 0.00 ATOM 136 CA PHE 18 14.061 -7.239 9.801 1.00 0.00 ATOM 137 CB PHE 18 13.201 -7.380 11.059 1.00 0.00 ATOM 138 CG PHE 18 12.696 -8.774 11.294 1.00 0.00 ATOM 139 CD1 PHE 18 13.401 -9.656 12.094 1.00 0.00 ATOM 140 CD2 PHE 18 11.513 -9.205 10.717 1.00 0.00 ATOM 141 CE1 PHE 18 12.935 -10.940 12.310 1.00 0.00 ATOM 142 CE2 PHE 18 11.047 -10.488 10.933 1.00 0.00 ATOM 143 CZ PHE 18 11.752 -11.354 11.726 1.00 0.00 ATOM 144 O PHE 18 15.428 -5.302 10.121 1.00 0.00 ATOM 145 C PHE 18 14.417 -5.773 9.612 1.00 0.00 ATOM 146 N PRO 19 13.588 -5.030 8.868 1.00 0.00 ATOM 147 CA PRO 19 12.362 -5.503 8.217 1.00 0.00 ATOM 148 CB PRO 19 11.737 -4.209 7.695 1.00 0.00 ATOM 149 CG PRO 19 12.933 -3.385 7.356 1.00 0.00 ATOM 150 CD PRO 19 13.825 -3.614 8.556 1.00 0.00 ATOM 151 O PRO 19 13.731 -6.356 6.434 1.00 0.00 ATOM 152 C PRO 19 12.649 -6.406 7.024 1.00 0.00 ATOM 153 N THR 20 11.675 -7.242 6.689 1.00 0.00 ATOM 154 CA THR 20 11.794 -8.137 5.547 1.00 0.00 ATOM 155 CB THR 20 12.055 -9.522 6.050 1.00 0.00 ATOM 156 CG2 THR 20 13.412 -9.774 5.498 1.00 0.00 ATOM 157 OG1 THR 20 12.068 -9.709 7.483 1.00 0.00 ATOM 158 O THR 20 10.256 -7.488 7.233 1.00 0.00 ATOM 159 C THR 20 10.529 -7.430 6.041 1.00 0.00 ATOM 160 N THR 21 9.768 -6.740 5.203 1.00 0.00 ATOM 161 CA THR 21 8.500 -6.118 5.632 1.00 0.00 ATOM 162 CB THR 21 8.717 -4.594 5.788 1.00 0.00 ATOM 163 CG2 THR 21 8.793 -3.889 4.456 1.00 0.00 ATOM 164 OG1 THR 21 7.635 -4.106 6.612 1.00 0.00 ATOM 165 O THR 21 7.571 -6.916 3.565 1.00 0.00 ATOM 166 C THR 21 7.364 -6.461 4.710 1.00 0.00 ATOM 167 N ILE 22 6.159 -6.266 5.251 1.00 0.00 ATOM 168 CA ILE 22 4.893 -6.427 4.525 1.00 0.00 ATOM 169 CB ILE 22 4.107 -7.653 5.025 1.00 0.00 ATOM 170 CG1 ILE 22 2.824 -7.833 4.214 1.00 0.00 ATOM 171 CG2 ILE 22 3.733 -7.487 6.489 1.00 0.00 ATOM 172 CD1 ILE 22 2.155 -9.175 4.417 1.00 0.00 ATOM 173 O ILE 22 3.984 -4.612 5.803 1.00 0.00 ATOM 174 C ILE 22 4.122 -5.109 4.678 1.00 0.00 ATOM 175 N THR 23 3.676 -4.683 3.550 1.00 0.00 ATOM 176 CA THR 23 2.752 -3.504 3.594 1.00 0.00 ATOM 177 CB THR 23 3.151 -2.297 2.725 1.00 0.00 ATOM 178 CG2 THR 23 2.132 -1.177 2.867 1.00 0.00 ATOM 179 OG1 THR 23 4.435 -1.812 3.137 1.00 0.00 ATOM 180 O THR 23 1.202 -4.572 2.101 1.00 0.00 ATOM 181 C THR 23 1.361 -3.957 3.160 1.00 0.00 ATOM 182 N ILE 24 0.376 -3.763 4.041 1.00 0.00 ATOM 183 CA ILE 24 -1.057 -3.966 3.698 1.00 0.00 ATOM 184 CB ILE 24 -1.831 -4.611 4.862 1.00 0.00 ATOM 185 CG1 ILE 24 -1.242 -5.982 5.198 1.00 0.00 ATOM 186 CG2 ILE 24 -3.295 -4.793 4.492 1.00 0.00 ATOM 187 CD1 ILE 24 -1.797 -6.591 6.466 1.00 0.00 ATOM 188 O ILE 24 -1.717 -1.707 4.227 1.00 0.00 ATOM 189 C ILE 24 -1.686 -2.596 3.379 1.00 0.00 ATOM 190 N ASP 25 -2.188 -2.433 2.145 1.00 0.00 ATOM 191 CA ASP 25 -2.817 -1.185 1.733 1.00 0.00 ATOM 192 CB ASP 25 -2.071 -0.551 0.660 1.00 0.00 ATOM 193 CG ASP 25 -1.267 0.555 1.315 1.00 0.00 ATOM 194 OD1 ASP 25 -1.296 0.753 2.545 1.00 0.00 ATOM 195 OD2 ASP 25 -0.568 1.290 0.585 1.00 0.00 ATOM 196 O ASP 25 -3.539 -3.260 0.809 1.00 0.00 ATOM 197 C ASP 25 -3.297 -2.080 0.596 1.00 0.00 ATOM 198 N LYS 26 -3.627 -2.350 -2.717 1.00 0.00 ATOM 199 CA LYS 26 -4.082 -3.111 -3.877 1.00 0.00 ATOM 200 CB LYS 26 -3.971 -2.164 -5.075 1.00 0.00 ATOM 201 CG LYS 26 -4.932 -0.988 -5.025 1.00 0.00 ATOM 202 CD LYS 26 -6.377 -1.452 -5.113 1.00 0.00 ATOM 203 CE LYS 26 -7.335 -0.271 -5.146 1.00 0.00 ATOM 204 NZ LYS 26 -7.086 0.612 -6.318 1.00 0.00 ATOM 205 O LYS 26 -3.425 -5.162 -4.916 1.00 0.00 ATOM 206 C LYS 26 -3.193 -4.328 -4.040 1.00 0.00 ATOM 207 N LEU 27 -2.189 -4.447 -3.177 1.00 0.00 ATOM 208 CA LEU 27 -1.266 -5.578 -3.225 1.00 0.00 ATOM 209 CB LEU 27 0.174 -5.102 -3.026 1.00 0.00 ATOM 210 CG LEU 27 0.702 -4.089 -4.043 1.00 0.00 ATOM 211 CD1 LEU 27 2.111 -3.646 -3.681 1.00 0.00 ATOM 212 CD2 LEU 27 0.739 -4.698 -5.437 1.00 0.00 ATOM 213 O LEU 27 -2.054 -6.171 -1.045 1.00 0.00 ATOM 214 C LEU 27 -1.621 -6.568 -2.121 1.00 0.00 ATOM 215 N ASP 28 -1.408 -7.851 -2.382 1.00 0.00 ATOM 216 CA ASP 28 -1.725 -8.890 -1.411 1.00 0.00 ATOM 217 CB ASP 28 -1.914 -10.238 -2.111 1.00 0.00 ATOM 218 CG ASP 28 -3.202 -10.305 -2.907 1.00 0.00 ATOM 219 OD1 ASP 28 -4.062 -9.417 -2.722 1.00 0.00 ATOM 220 OD2 ASP 28 -3.353 -11.245 -3.714 1.00 0.00 ATOM 221 O ASP 28 0.535 -8.764 -0.623 1.00 0.00 ATOM 222 C ASP 28 -0.629 -9.069 -0.369 1.00 0.00 ATOM 223 N GLU 29 -1.004 -9.612 0.786 1.00 0.00 ATOM 224 CA GLU 29 -0.065 -9.833 1.879 1.00 0.00 ATOM 225 CB GLU 29 -0.739 -10.605 3.017 1.00 0.00 ATOM 226 CG GLU 29 -1.746 -9.788 3.809 1.00 0.00 ATOM 227 CD GLU 29 -2.449 -10.604 4.875 1.00 0.00 ATOM 228 OE1 GLU 29 -2.206 -11.827 4.943 1.00 0.00 ATOM 229 OE2 GLU 29 -3.243 -10.021 5.642 1.00 0.00 ATOM 230 O GLU 29 2.271 -10.382 1.810 1.00 0.00 ATOM 231 C GLU 29 1.123 -10.634 1.419 1.00 0.00 ATOM 232 N GLU 30 0.859 -11.637 0.628 1.00 0.00 ATOM 233 CA GLU 30 1.944 -12.441 0.135 1.00 0.00 ATOM 234 CB GLU 30 1.402 -13.583 -0.727 1.00 0.00 ATOM 235 CG GLU 30 0.606 -14.621 0.047 1.00 0.00 ATOM 236 CD GLU 30 0.005 -15.684 -0.851 1.00 0.00 ATOM 237 OE1 GLU 30 0.154 -15.571 -2.086 1.00 0.00 ATOM 238 OE2 GLU 30 -0.613 -16.631 -0.320 1.00 0.00 ATOM 239 O GLU 30 4.174 -11.846 -0.513 1.00 0.00 ATOM 240 C GLU 30 2.970 -11.633 -0.656 1.00 0.00 ATOM 241 N ASP 31 2.500 -10.711 -1.480 1.00 0.00 ATOM 242 CA ASP 31 3.388 -9.885 -2.295 1.00 0.00 ATOM 243 CB ASP 31 2.576 -9.058 -3.292 1.00 0.00 ATOM 244 CG ASP 31 1.982 -9.902 -4.404 1.00 0.00 ATOM 245 OD1 ASP 31 2.396 -11.073 -4.544 1.00 0.00 ATOM 246 OD2 ASP 31 1.106 -9.393 -5.132 1.00 0.00 ATOM 247 O ASP 31 5.385 -8.719 -1.645 1.00 0.00 ATOM 248 C ASP 31 4.181 -8.902 -1.435 1.00 0.00 ATOM 249 N PHE 32 3.538 -8.267 -0.479 1.00 0.00 ATOM 250 CA PHE 32 4.210 -7.295 0.378 1.00 0.00 ATOM 251 CB PHE 32 3.143 -6.555 1.226 1.00 0.00 ATOM 252 CG PHE 32 2.520 -5.381 0.537 1.00 0.00 ATOM 253 CD1 PHE 32 1.176 -5.402 0.181 1.00 0.00 ATOM 254 CD2 PHE 32 3.278 -4.249 0.245 1.00 0.00 ATOM 255 CE1 PHE 32 0.594 -4.310 -0.457 1.00 0.00 ATOM 256 CE2 PHE 32 2.703 -3.152 -0.392 1.00 0.00 ATOM 257 CZ PHE 32 1.359 -3.183 -0.743 1.00 0.00 ATOM 258 O PHE 32 6.301 -7.345 1.552 1.00 0.00 ATOM 259 C PHE 32 5.227 -7.907 1.336 1.00 0.00 ATOM 260 N CYS 33 4.885 -9.047 1.922 1.00 0.00 ATOM 261 CA CYS 33 5.769 -9.719 2.869 1.00 0.00 ATOM 262 CB CYS 33 5.345 -11.163 3.039 1.00 0.00 ATOM 263 SG CYS 33 6.379 -12.087 4.209 1.00 0.00 ATOM 264 O CYS 33 7.466 -10.166 1.223 1.00 0.00 ATOM 265 C CYS 33 7.211 -9.844 2.380 1.00 0.00 ATOM 266 N LEU 34 8.150 -9.574 3.281 1.00 0.00 ATOM 267 CA LEU 34 9.579 -9.672 2.998 1.00 0.00 ATOM 268 CB LEU 34 9.856 -10.883 2.124 1.00 0.00 ATOM 269 CG LEU 34 9.605 -12.171 2.960 1.00 0.00 ATOM 270 CD1 LEU 34 9.590 -13.420 2.116 1.00 0.00 ATOM 271 CD2 LEU 34 10.602 -12.342 4.105 1.00 0.00 ATOM 272 O LEU 34 11.295 -8.067 2.521 1.00 0.00 ATOM 273 C LEU 34 10.103 -8.365 2.413 1.00 0.00 ATOM 274 N LYS 35 9.250 -7.378 1.827 1.00 0.00 ATOM 275 CA LYS 35 9.702 -6.095 1.282 1.00 0.00 ATOM 276 CB LYS 35 8.602 -5.739 0.279 1.00 0.00 ATOM 277 CG LYS 35 8.167 -6.897 -0.603 1.00 0.00 ATOM 278 CD LYS 35 9.307 -7.380 -1.484 1.00 0.00 ATOM 279 CE LYS 35 8.827 -8.417 -2.487 1.00 0.00 ATOM 280 NZ LYS 35 9.958 -9.011 -3.255 1.00 0.00 ATOM 281 O LYS 35 9.122 -4.313 2.754 1.00 0.00 ATOM 282 C LYS 35 9.948 -4.781 1.969 1.00 0.00 ATOM 283 N LEU 36 11.066 -4.049 1.581 1.00 0.00 ATOM 284 CA LEU 36 11.383 -2.782 2.237 1.00 0.00 ATOM 285 CB LEU 36 12.862 -2.484 1.980 1.00 0.00 ATOM 286 CG LEU 36 13.854 -3.571 2.398 1.00 0.00 ATOM 287 CD1 LEU 36 15.277 -3.163 2.050 1.00 0.00 ATOM 288 CD2 LEU 36 13.782 -3.816 3.897 1.00 0.00 ATOM 289 O LEU 36 9.809 -0.974 2.084 1.00 0.00 ATOM 290 C LEU 36 10.551 -1.750 1.479 1.00 0.00 ATOM 291 N GLU 37 10.512 -1.612 0.119 1.00 0.00 ATOM 292 CA GLU 37 9.811 -0.637 -0.711 1.00 0.00 ATOM 293 CB GLU 37 10.789 0.253 -1.480 1.00 0.00 ATOM 294 CG GLU 37 11.577 -0.474 -2.557 1.00 0.00 ATOM 295 CD GLU 37 12.579 0.425 -3.254 1.00 0.00 ATOM 296 OE1 GLU 37 12.680 1.610 -2.872 1.00 0.00 ATOM 297 OE2 GLU 37 13.263 -0.055 -4.182 1.00 0.00 ATOM 298 O GLU 37 8.800 -1.123 -2.833 1.00 0.00 ATOM 299 C GLU 37 8.923 -1.447 -1.649 1.00 0.00 ATOM 300 N LEU 38 8.269 -2.473 -1.111 1.00 0.00 ATOM 301 CA LEU 38 7.398 -3.308 -1.928 1.00 0.00 ATOM 302 CB LEU 38 7.298 -4.661 -0.781 1.00 0.00 ATOM 303 CG LEU 38 6.051 -4.456 0.027 1.00 0.00 ATOM 304 CD1 LEU 38 4.805 -5.137 -0.554 1.00 0.00 ATOM 305 CD2 LEU 38 6.194 -5.053 1.448 1.00 0.00 ATOM 306 O LEU 38 5.384 -3.013 -3.188 1.00 0.00 ATOM 307 C LEU 38 6.149 -2.549 -2.346 1.00 0.00 ATOM 308 N ARG 39 5.970 -1.325 -1.701 1.00 0.00 ATOM 309 CA ARG 39 4.817 -0.500 -2.021 1.00 0.00 ATOM 310 CB ARG 39 4.056 -0.242 -0.650 1.00 0.00 ATOM 311 CG ARG 39 2.947 0.783 -0.743 1.00 0.00 ATOM 312 CD ARG 39 1.804 0.252 -1.549 1.00 0.00 ATOM 313 NE ARG 39 0.697 1.194 -1.570 1.00 0.00 ATOM 314 CZ ARG 39 -0.562 0.865 -1.845 1.00 0.00 ATOM 315 NH1 ARG 39 -0.882 -0.389 -2.125 1.00 0.00 ATOM 316 NH2 ARG 39 -1.502 1.795 -1.830 1.00 0.00 ATOM 317 O ARG 39 4.302 1.241 -3.584 1.00 0.00 ATOM 318 C ARG 39 5.171 0.533 -3.084 1.00 0.00 ATOM 319 N LEU 40 6.450 0.592 -3.445 1.00 0.00 ATOM 320 CA LEU 40 6.919 1.553 -4.442 1.00 0.00 ATOM 321 CB LEU 40 8.417 1.425 -4.608 1.00 0.00 ATOM 322 CG LEU 40 9.060 2.099 -5.816 1.00 0.00 ATOM 323 CD1 LEU 40 8.816 3.616 -5.810 1.00 0.00 ATOM 324 CD2 LEU 40 10.537 1.777 -5.783 1.00 0.00 ATOM 325 O LEU 40 6.385 -0.012 -6.183 1.00 0.00 ATOM 326 C LEU 40 6.543 1.165 -5.868 1.00 0.00 ATOM 327 N GLU 41 6.451 2.162 -6.742 1.00 0.00 ATOM 328 CA GLU 41 6.097 1.900 -8.121 1.00 0.00 ATOM 329 CB GLU 41 4.592 1.657 -8.253 1.00 0.00 ATOM 330 CG GLU 41 4.116 0.357 -7.626 1.00 0.00 ATOM 331 CD GLU 41 2.605 0.245 -7.595 1.00 0.00 ATOM 332 OE1 GLU 41 1.981 0.328 -8.674 1.00 0.00 ATOM 333 OE2 GLU 41 2.043 0.072 -6.493 1.00 0.00 ATOM 334 O GLU 41 7.266 3.896 -8.717 1.00 0.00 ATOM 335 C GLU 41 6.445 3.044 -9.056 1.00 0.00 ATOM 336 N ASP 42 5.812 3.104 -10.235 1.00 0.00 ATOM 337 CA ASP 42 6.050 4.132 -11.255 1.00 0.00 ATOM 338 CB ASP 42 5.751 3.381 -12.644 1.00 0.00 ATOM 339 CG ASP 42 6.220 1.940 -12.657 1.00 0.00 ATOM 340 OD1 ASP 42 5.680 1.132 -11.870 1.00 0.00 ATOM 341 OD2 ASP 42 7.124 1.616 -13.455 1.00 0.00 ATOM 342 O ASP 42 5.764 6.390 -10.480 1.00 0.00 ATOM 343 C ASP 42 5.942 5.653 -11.451 1.00 0.00 ATOM 344 N GLY 43 6.126 6.461 -12.772 1.00 0.00 ATOM 345 CA GLY 43 6.090 7.903 -13.033 1.00 0.00 ATOM 346 O GLY 43 7.388 7.988 -11.021 1.00 0.00 ATOM 347 C GLY 43 7.375 8.125 -12.244 1.00 0.00 ATOM 348 N THR 44 8.448 8.461 -12.953 1.00 0.00 ATOM 349 CA THR 44 9.754 8.684 -12.343 1.00 0.00 ATOM 350 CB THR 44 10.701 9.437 -13.297 1.00 0.00 ATOM 351 CG2 THR 44 12.052 9.663 -12.638 1.00 0.00 ATOM 352 OG1 THR 44 10.889 8.670 -14.492 1.00 0.00 ATOM 353 O THR 44 10.468 9.456 -10.187 1.00 0.00 ATOM 354 C THR 44 9.578 9.463 -11.042 1.00 0.00 ATOM 355 N LEU 45 8.359 10.127 -10.867 1.00 0.00 ATOM 356 CA LEU 45 8.174 10.888 -9.639 1.00 0.00 ATOM 357 CB LEU 45 6.553 11.135 -9.592 1.00 0.00 ATOM 358 CG LEU 45 5.797 11.240 -10.898 1.00 0.00 ATOM 359 CD1 LEU 45 4.391 11.721 -10.644 1.00 0.00 ATOM 360 CD2 LEU 45 6.520 12.178 -11.860 1.00 0.00 ATOM 361 O LEU 45 8.961 10.092 -7.515 1.00 0.00 ATOM 362 C LEU 45 8.151 9.955 -8.434 1.00 0.00 ATOM 363 N ILE 46 7.202 9.019 -8.438 1.00 0.00 ATOM 364 CA ILE 46 7.056 8.051 -7.355 1.00 0.00 ATOM 365 CB ILE 46 5.703 7.326 -7.375 1.00 0.00 ATOM 366 CG1 ILE 46 4.552 8.310 -7.228 1.00 0.00 ATOM 367 CG2 ILE 46 5.644 6.321 -6.220 1.00 0.00 ATOM 368 CD1 ILE 46 3.203 7.675 -7.427 1.00 0.00 ATOM 369 O ILE 46 8.524 6.390 -6.442 1.00 0.00 ATOM 370 C ILE 46 8.121 6.968 -7.453 1.00 0.00 ATOM 371 N ASN 47 8.563 6.701 -8.678 1.00 0.00 ATOM 372 CA ASN 47 9.610 5.722 -8.945 1.00 0.00 ATOM 373 CB ASN 47 10.071 5.812 -10.401 1.00 0.00 ATOM 374 CG ASN 47 10.997 4.676 -10.791 1.00 0.00 ATOM 375 ND2 ASN 47 12.229 5.016 -11.151 1.00 0.00 ATOM 376 OD1 ASN 47 10.607 3.509 -10.766 1.00 0.00 ATOM 377 O ASN 47 11.506 5.302 -7.511 1.00 0.00 ATOM 378 C ASN 47 10.707 6.123 -7.968 1.00 0.00 ATOM 379 N ALA 48 10.667 7.532 -7.675 1.00 0.00 ATOM 380 CA ALA 48 11.697 8.001 -6.764 1.00 0.00 ATOM 381 CB ALA 48 12.232 9.350 -7.219 1.00 0.00 ATOM 382 O ALA 48 11.850 7.929 -4.369 1.00 0.00 ATOM 383 C ALA 48 11.130 8.143 -5.352 1.00 0.00 ATOM 384 N ILE 49 9.894 8.542 -5.292 1.00 0.00 ATOM 385 CA ILE 49 9.245 8.764 -3.996 1.00 0.00 ATOM 386 CB ILE 49 7.735 9.029 -4.144 1.00 0.00 ATOM 387 CG1 ILE 49 7.496 10.343 -4.892 1.00 0.00 ATOM 388 CG2 ILE 49 7.074 9.124 -2.778 1.00 0.00 ATOM 389 CD1 ILE 49 8.006 11.565 -4.158 1.00 0.00 ATOM 390 O ILE 49 9.455 7.561 -1.923 1.00 0.00 ATOM 391 C ILE 49 9.296 7.494 -3.142 1.00 0.00 ATOM 392 N GLY 50 9.229 6.320 -3.786 1.00 0.00 ATOM 393 CA GLY 50 9.314 5.059 -3.070 1.00 0.00 ATOM 394 O GLY 50 10.403 4.836 -0.955 1.00 0.00 ATOM 395 C GLY 50 10.535 4.971 -2.165 1.00 0.00 ATOM 396 N HIS 51 11.723 5.019 -2.766 1.00 0.00 ATOM 397 CA HIS 51 12.975 4.913 -2.022 1.00 0.00 ATOM 398 CB HIS 51 14.165 5.252 -2.923 1.00 0.00 ATOM 399 CG HIS 51 14.485 4.190 -3.927 1.00 0.00 ATOM 400 CD2 HIS 51 14.480 4.098 -5.380 1.00 0.00 ATOM 401 ND1 HIS 51 14.903 2.926 -3.567 1.00 0.00 ATOM 402 CE1 HIS 51 15.112 2.201 -4.680 1.00 0.00 ATOM 403 NE2 HIS 51 14.860 2.898 -5.771 1.00 0.00 ATOM 404 O HIS 51 13.642 5.473 0.210 1.00 0.00 ATOM 405 C HIS 51 13.067 5.842 -0.814 1.00 0.00 ATOM 406 N ASP 52 12.522 7.045 -0.914 1.00 0.00 ATOM 407 CA ASP 52 12.534 7.975 0.212 1.00 0.00 ATOM 408 CB ASP 52 12.151 9.382 -0.252 1.00 0.00 ATOM 409 CG ASP 52 13.251 10.051 -1.054 1.00 0.00 ATOM 410 OD1 ASP 52 14.390 9.537 -1.043 1.00 0.00 ATOM 411 OD2 ASP 52 12.975 11.088 -1.691 1.00 0.00 ATOM 412 O ASP 52 11.734 7.587 2.445 1.00 0.00 ATOM 413 C ASP 52 11.495 7.530 1.226 1.00 0.00 ATOM 414 N SER 53 10.376 7.060 0.850 1.00 0.00 ATOM 415 CA SER 53 9.385 6.482 1.772 1.00 0.00 ATOM 416 CB SER 53 8.156 6.059 0.964 1.00 0.00 ATOM 417 OG SER 53 7.516 7.181 0.383 1.00 0.00 ATOM 418 O SER 53 9.890 5.161 3.736 1.00 0.00 ATOM 419 C SER 53 10.033 5.309 2.519 1.00 0.00 ATOM 420 N THR 54 10.798 4.531 1.796 1.00 0.00 ATOM 421 CA THR 54 11.484 3.397 2.377 1.00 0.00 ATOM 422 CB THR 54 12.105 2.496 1.284 1.00 0.00 ATOM 423 CG2 THR 54 12.696 1.195 1.900 1.00 0.00 ATOM 424 OG1 THR 54 11.078 2.146 0.334 1.00 0.00 ATOM 425 O THR 54 12.722 3.168 4.412 1.00 0.00 ATOM 426 C THR 54 12.600 3.777 3.353 1.00 0.00 ATOM 427 N ILE 55 13.406 4.791 2.953 1.00 0.00 ATOM 428 CA ILE 55 14.393 5.309 3.883 1.00 0.00 ATOM 429 CB ILE 55 15.113 6.517 3.257 1.00 0.00 ATOM 430 CG1 ILE 55 15.920 6.083 2.031 1.00 0.00 ATOM 431 CG2 ILE 55 16.066 7.148 4.262 1.00 0.00 ATOM 432 CD1 ILE 55 16.435 7.236 1.200 1.00 0.00 ATOM 433 O ILE 55 14.289 5.461 6.308 1.00 0.00 ATOM 434 C ILE 55 13.751 5.712 5.222 1.00 0.00 ATOM 435 N ASN 56 12.615 6.316 5.108 1.00 0.00 ATOM 436 CA ASN 56 11.888 6.760 6.282 1.00 0.00 ATOM 437 CB ASN 56 10.773 7.666 5.757 1.00 0.00 ATOM 438 CG ASN 56 11.305 8.923 5.099 1.00 0.00 ATOM 439 ND2 ASN 56 10.476 9.559 4.280 1.00 0.00 ATOM 440 OD1 ASN 56 12.449 9.318 5.326 1.00 0.00 ATOM 441 O ASN 56 11.516 5.629 8.363 1.00 0.00 ATOM 442 C ASN 56 11.354 5.624 7.144 1.00 0.00 ATOM 443 N LEU 57 10.785 4.635 6.491 1.00 0.00 ATOM 444 CA LEU 57 10.253 3.488 7.212 1.00 0.00 ATOM 445 CB LEU 57 9.522 2.569 6.230 1.00 0.00 ATOM 446 CG LEU 57 8.230 3.120 5.621 1.00 0.00 ATOM 447 CD1 LEU 57 7.709 2.188 4.538 1.00 0.00 ATOM 448 CD2 LEU 57 7.152 3.265 6.685 1.00 0.00 ATOM 449 O LEU 57 11.207 2.192 8.988 1.00 0.00 ATOM 450 C LEU 57 11.370 2.707 7.883 1.00 0.00 ATOM 451 N VAL 58 12.509 2.626 7.210 1.00 0.00 ATOM 452 CA VAL 58 13.651 1.905 7.746 1.00 0.00 ATOM 453 CB VAL 58 14.798 1.822 6.722 1.00 0.00 ATOM 454 CG1 VAL 58 16.045 1.232 7.366 1.00 0.00 ATOM 455 CG2 VAL 58 14.400 0.941 5.549 1.00 0.00 ATOM 456 O VAL 58 14.435 2.057 9.995 1.00 0.00 ATOM 457 C VAL 58 14.111 2.646 8.954 1.00 0.00 ATOM 458 N ASN 59 14.271 3.976 8.856 1.00 0.00 ATOM 459 CA ASN 59 14.781 4.721 10.028 1.00 0.00 ATOM 460 CB ASN 59 14.849 6.219 9.723 1.00 0.00 ATOM 461 CG ASN 59 15.982 6.569 8.779 1.00 0.00 ATOM 462 ND2 ASN 59 15.883 7.732 8.145 1.00 0.00 ATOM 463 OD1 ASN 59 16.934 5.805 8.625 1.00 0.00 ATOM 464 O ASN 59 14.292 4.384 12.367 1.00 0.00 ATOM 465 C ASN 59 13.851 4.535 11.236 1.00 0.00 ATOM 466 N THR 60 12.502 4.545 10.997 1.00 0.00 ATOM 467 CA THR 60 11.524 4.352 12.061 1.00 0.00 ATOM 468 CB THR 60 10.133 3.858 11.229 1.00 0.00 ATOM 469 CG2 THR 60 8.842 4.159 11.904 1.00 0.00 ATOM 470 OG1 THR 60 10.066 4.380 9.894 1.00 0.00 ATOM 471 O THR 60 11.719 2.898 13.961 1.00 0.00 ATOM 472 C THR 60 11.729 2.999 12.735 1.00 0.00 ATOM 473 N LEU 61 11.924 1.995 11.882 1.00 0.00 ATOM 474 CA LEU 61 12.133 0.600 12.467 1.00 0.00 ATOM 475 CB LEU 61 11.571 -0.400 11.379 1.00 0.00 ATOM 476 CG LEU 61 11.718 -1.894 11.669 1.00 0.00 ATOM 477 CD1 LEU 61 10.789 -2.284 12.808 1.00 0.00 ATOM 478 CD2 LEU 61 11.393 -2.702 10.415 1.00 0.00 ATOM 479 O LEU 61 13.708 -0.449 13.849 1.00 0.00 ATOM 480 C LEU 61 13.504 0.550 13.095 1.00 0.00 ATOM 481 N CYS 62 14.321 1.545 12.924 1.00 0.00 ATOM 482 CA CYS 62 15.636 1.611 13.669 1.00 0.00 ATOM 483 CB CYS 62 16.758 2.063 12.733 1.00 0.00 ATOM 484 SG CYS 62 17.079 0.939 11.353 1.00 0.00 ATOM 485 O CYS 62 16.614 2.862 15.400 1.00 0.00 ATOM 486 C CYS 62 15.510 2.603 14.812 1.00 0.00 ATOM 487 N GLY 63 14.381 3.046 15.269 1.00 0.00 ATOM 488 CA GLY 63 14.211 3.900 16.413 1.00 0.00 ATOM 489 O GLY 63 14.313 6.175 17.108 1.00 0.00 ATOM 490 C GLY 63 14.490 5.375 16.184 1.00 0.00 ATOM 491 N THR 64 14.924 5.754 14.996 1.00 0.00 ATOM 492 CA THR 64 15.283 7.112 14.638 1.00 0.00 ATOM 493 CB THR 64 16.601 7.090 13.827 1.00 0.00 ATOM 494 CG2 THR 64 17.058 8.481 13.439 1.00 0.00 ATOM 495 OG1 THR 64 17.623 6.461 14.617 1.00 0.00 ATOM 496 O THR 64 13.738 7.231 12.820 1.00 0.00 ATOM 497 C THR 64 14.209 7.798 13.805 1.00 0.00 ATOM 498 N GLN 65 13.863 9.028 14.178 1.00 0.00 ATOM 499 CA GLN 65 12.868 9.781 13.415 1.00 0.00 ATOM 500 CB GLN 65 13.317 10.247 12.130 1.00 0.00 ATOM 501 CG GLN 65 12.903 11.694 11.945 1.00 0.00 ATOM 502 CD GLN 65 13.959 12.430 12.690 1.00 0.00 ATOM 503 OE1 GLN 65 14.032 12.249 13.916 1.00 0.00 ATOM 504 NE2 GLN 65 14.983 12.823 11.928 1.00 0.00 ATOM 505 O GLN 65 11.034 8.373 12.819 1.00 0.00 ATOM 506 C GLN 65 11.398 9.372 13.450 1.00 0.00 ATOM 507 N LEU 66 10.572 10.176 14.269 1.00 0.00 ATOM 508 CA LEU 66 9.106 9.994 14.288 1.00 0.00 ATOM 509 CB LEU 66 8.326 9.699 15.203 1.00 0.00 ATOM 510 CG LEU 66 6.905 10.255 15.085 1.00 0.00 ATOM 511 CD1 LEU 66 6.277 9.776 13.795 1.00 0.00 ATOM 512 CD2 LEU 66 6.079 9.794 16.285 1.00 0.00 ATOM 513 O LEU 66 9.149 12.264 13.515 1.00 0.00 ATOM 514 C LEU 66 8.821 11.099 13.275 1.00 0.00 ATOM 515 N GLN 67 8.273 10.733 12.120 1.00 0.00 ATOM 516 CA GLN 67 8.023 11.722 11.080 1.00 0.00 ATOM 517 CB GLN 67 9.390 12.073 10.397 1.00 0.00 ATOM 518 CG GLN 67 9.809 10.991 9.389 1.00 0.00 ATOM 519 CD GLN 67 11.191 11.197 8.791 1.00 0.00 ATOM 520 OE1 GLN 67 11.809 12.246 8.966 1.00 0.00 ATOM 521 NE2 GLN 67 11.676 10.184 8.083 1.00 0.00 ATOM 522 O GLN 67 6.569 10.271 9.835 1.00 0.00 ATOM 523 C GLN 67 6.853 11.425 10.146 1.00 0.00 ATOM 524 N LYS 68 6.062 12.512 9.708 1.00 0.00 ATOM 525 CA LYS 68 4.941 12.419 8.776 1.00 0.00 ATOM 526 CB LYS 68 3.754 13.241 9.282 1.00 0.00 ATOM 527 CG LYS 68 3.165 12.738 10.590 1.00 0.00 ATOM 528 CD LYS 68 2.000 13.605 11.040 1.00 0.00 ATOM 529 CE LYS 68 1.397 13.091 12.337 1.00 0.00 ATOM 530 NZ LYS 68 0.202 13.879 12.744 1.00 0.00 ATOM 531 O LYS 68 5.891 14.084 7.341 1.00 0.00 ATOM 532 C LYS 68 5.400 12.960 7.426 1.00 0.00 ATOM 533 N ASN 69 5.258 12.151 6.377 1.00 0.00 ATOM 534 CA ASN 69 5.677 12.557 5.039 1.00 0.00 ATOM 535 CB ASN 69 6.888 11.738 4.585 1.00 0.00 ATOM 536 CG ASN 69 8.086 11.917 5.497 1.00 0.00 ATOM 537 ND2 ASN 69 8.394 10.887 6.276 1.00 0.00 ATOM 538 OD1 ASN 69 8.725 12.969 5.498 1.00 0.00 ATOM 539 O ASN 69 3.984 11.292 3.900 1.00 0.00 ATOM 540 C ASN 69 4.601 12.359 3.979 1.00 0.00 ATOM 541 N ARG 70 4.357 13.439 3.182 1.00 0.00 ATOM 542 CA ARG 70 3.360 13.360 2.126 1.00 0.00 ATOM 543 CB ARG 70 2.727 14.734 1.894 1.00 0.00 ATOM 544 CG ARG 70 1.481 14.703 1.026 1.00 0.00 ATOM 545 CD ARG 70 0.870 16.089 0.890 1.00 0.00 ATOM 546 NE ARG 70 1.700 16.977 0.080 1.00 0.00 ATOM 547 CZ ARG 70 1.496 18.285 -0.045 1.00 0.00 ATOM 548 NH1 ARG 70 2.303 19.011 -0.805 1.00 0.00 ATOM 549 NH2 ARG 70 0.485 18.860 0.592 1.00 0.00 ATOM 550 O ARG 70 4.935 13.633 0.348 1.00 0.00 ATOM 551 C ARG 70 4.078 12.918 0.866 1.00 0.00 ATOM 552 N VAL 71 3.726 11.721 0.398 1.00 0.00 ATOM 553 CA VAL 71 4.329 11.151 -0.803 1.00 0.00 ATOM 554 CB VAL 71 5.251 9.970 -0.446 1.00 0.00 ATOM 555 CG1 VAL 71 6.391 10.435 0.447 1.00 0.00 ATOM 556 CG2 VAL 71 4.472 8.892 0.293 1.00 0.00 ATOM 557 O VAL 71 2.263 10.087 -1.425 1.00 0.00 ATOM 558 C VAL 71 3.300 10.633 -1.806 1.00 0.00 ATOM 559 N GLU 72 3.611 10.778 -3.089 1.00 0.00 ATOM 560 CA GLU 72 2.730 10.327 -4.158 1.00 0.00 ATOM 561 CB GLU 72 2.958 11.148 -5.439 1.00 0.00 ATOM 562 CG GLU 72 2.548 12.612 -5.296 1.00 0.00 ATOM 563 CD GLU 72 2.586 13.401 -6.599 1.00 0.00 ATOM 564 OE1 GLU 72 3.626 13.382 -7.291 1.00 0.00 ATOM 565 OE2 GLU 72 1.576 14.076 -6.922 1.00 0.00 ATOM 566 O GLU 72 4.051 8.346 -4.380 1.00 0.00 ATOM 567 C GLU 72 2.920 8.822 -4.258 1.00 0.00 ATOM 568 N VAL 73 1.844 8.070 -4.158 1.00 0.00 ATOM 569 CA VAL 73 1.926 6.621 -4.239 1.00 0.00 ATOM 570 CB VAL 73 1.430 5.901 -2.970 1.00 0.00 ATOM 571 CG1 VAL 73 1.311 4.405 -3.220 1.00 0.00 ATOM 572 CG2 VAL 73 2.402 6.120 -1.821 1.00 0.00 ATOM 573 O VAL 73 0.096 6.795 -5.796 1.00 0.00 ATOM 574 C VAL 73 1.060 6.132 -5.401 1.00 0.00 ATOM 575 N LYS 74 1.415 4.970 -5.942 1.00 0.00 ATOM 576 CA LYS 74 0.682 4.377 -7.055 1.00 0.00 ATOM 577 CB LYS 74 1.637 4.297 -8.249 1.00 0.00 ATOM 578 CG LYS 74 1.155 3.561 -9.496 1.00 0.00 ATOM 579 CD LYS 74 2.248 3.663 -10.563 1.00 0.00 ATOM 580 CE LYS 74 1.872 3.025 -11.886 1.00 0.00 ATOM 581 NZ LYS 74 1.974 1.549 -11.827 1.00 0.00 ATOM 582 O LYS 74 1.003 2.173 -6.147 1.00 0.00 ATOM 583 C LYS 74 0.214 2.984 -6.645 1.00 0.00 ATOM 584 N MET 75 -1.057 2.714 -6.880 1.00 0.00 ATOM 585 CA MET 75 -1.659 1.412 -6.594 1.00 0.00 ATOM 586 CB MET 75 -3.185 1.497 -6.545 1.00 0.00 ATOM 587 CG MET 75 -3.736 1.981 -5.214 1.00 0.00 ATOM 588 SD MET 75 -3.267 3.682 -4.844 1.00 0.00 ATOM 589 CE MET 75 -4.243 4.573 -6.054 1.00 0.00 ATOM 590 O MET 75 -0.539 0.739 -8.608 1.00 0.00 ATOM 591 C MET 75 -1.266 0.406 -7.672 1.00 0.00 ATOM 592 N ASN 76 -1.709 -0.835 -7.511 1.00 0.00 ATOM 593 CA ASN 76 -1.394 -1.879 -8.479 1.00 0.00 ATOM 594 CB ASN 76 -1.847 -3.246 -7.959 1.00 0.00 ATOM 595 CG ASN 76 -1.368 -4.389 -8.831 1.00 0.00 ATOM 596 ND2 ASN 76 -2.309 -5.114 -9.425 1.00 0.00 ATOM 597 OD1 ASN 76 -0.166 -4.616 -8.969 1.00 0.00 ATOM 598 O ASN 76 -1.577 -1.992 -10.875 1.00 0.00 ATOM 599 C ASN 76 -2.094 -1.627 -9.813 1.00 0.00 ATOM 600 N GLU 77 -3.228 -0.934 -9.755 1.00 0.00 ATOM 601 CA GLU 77 -4.001 -0.617 -10.949 1.00 0.00 ATOM 602 CB GLU 77 -5.454 -0.308 -10.580 1.00 0.00 ATOM 603 CG GLU 77 -6.213 -1.493 -10.005 1.00 0.00 ATOM 604 CD GLU 77 -7.624 -1.132 -9.586 1.00 0.00 ATOM 605 OE1 GLU 77 -8.004 0.048 -9.732 1.00 0.00 ATOM 606 OE2 GLU 77 -8.352 -2.030 -9.112 1.00 0.00 ATOM 607 O GLU 77 -4.183 1.043 -12.663 1.00 0.00 ATOM 608 C GLU 77 -3.501 0.597 -11.729 1.00 0.00 ATOM 609 N GLY 78 -2.091 1.270 -11.428 1.00 0.00 ATOM 610 CA GLY 78 -1.564 2.476 -12.053 1.00 0.00 ATOM 611 O GLY 78 -1.485 4.808 -11.516 1.00 0.00 ATOM 612 C GLY 78 -2.108 3.748 -11.427 1.00 0.00 ATOM 613 N ASP 79 -3.272 3.644 -10.792 1.00 0.00 ATOM 614 CA ASP 79 -3.905 4.785 -10.146 1.00 0.00 ATOM 615 CB ASP 79 -5.121 4.335 -9.333 1.00 0.00 ATOM 616 CG ASP 79 -6.284 3.914 -10.209 1.00 0.00 ATOM 617 OD1 ASP 79 -6.222 4.153 -11.434 1.00 0.00 ATOM 618 OD2 ASP 79 -7.256 3.344 -9.672 1.00 0.00 ATOM 619 O ASP 79 -2.112 4.843 -8.551 1.00 0.00 ATOM 620 C ASP 79 -2.935 5.485 -9.201 1.00 0.00 ATOM 621 N GLU 80 -3.044 6.807 -9.125 1.00 0.00 ATOM 622 CA GLU 80 -2.175 7.601 -8.263 1.00 0.00 ATOM 623 CB GLU 80 -1.515 8.726 -9.061 1.00 0.00 ATOM 624 CG GLU 80 -0.546 8.245 -10.129 1.00 0.00 ATOM 625 CD GLU 80 0.145 9.387 -10.847 1.00 0.00 ATOM 626 OE1 GLU 80 -0.177 10.557 -10.551 1.00 0.00 ATOM 627 OE2 GLU 80 1.008 9.113 -11.707 1.00 0.00 ATOM 628 O GLU 80 -4.056 8.768 -7.377 1.00 0.00 ATOM 629 C GLU 80 -2.948 8.249 -7.147 1.00 0.00 ATOM 630 N ALA 81 -2.313 8.190 -6.066 1.00 0.00 ATOM 631 CA ALA 81 -2.885 8.899 -4.907 1.00 0.00 ATOM 632 CB ALA 81 -3.713 7.894 -4.123 1.00 0.00 ATOM 633 O ALA 81 -0.742 8.909 -3.824 1.00 0.00 ATOM 634 C ALA 81 -1.832 9.466 -3.968 1.00 0.00 ATOM 635 N LEU 82 -2.167 10.590 -3.344 1.00 0.00 ATOM 636 CA LEU 82 -1.279 11.262 -2.399 1.00 0.00 ATOM 637 CB LEU 82 -1.682 12.729 -2.235 1.00 0.00 ATOM 638 CG LEU 82 -0.822 13.564 -1.283 1.00 0.00 ATOM 639 CD1 LEU 82 0.604 13.668 -1.799 1.00 0.00 ATOM 640 CD2 LEU 82 -1.384 14.971 -1.149 1.00 0.00 ATOM 641 O LEU 82 -2.596 10.680 -0.472 1.00 0.00 ATOM 642 C LEU 82 -1.493 10.625 -1.031 1.00 0.00 ATOM 643 N ILE 83 -0.389 10.179 -0.526 1.00 0.00 ATOM 644 CA ILE 83 -0.334 9.402 0.705 1.00 0.00 ATOM 645 CB ILE 83 0.512 8.141 0.453 1.00 0.00 ATOM 646 CG1 ILE 83 -0.110 7.294 -0.658 1.00 0.00 ATOM 647 CG2 ILE 83 0.597 7.295 1.714 1.00 0.00 ATOM 648 CD1 ILE 83 -1.510 6.809 -0.345 1.00 0.00 ATOM 649 O ILE 83 1.188 11.044 1.554 1.00 0.00 ATOM 650 C ILE 83 0.360 10.167 1.811 1.00 0.00 ATOM 651 N ILE 84 0.194 9.675 2.982 1.00 0.00 ATOM 652 CA ILE 84 0.842 10.295 4.129 1.00 0.00 ATOM 653 CB ILE 84 -0.138 11.074 5.024 1.00 0.00 ATOM 654 CG1 ILE 84 -0.787 12.214 4.236 1.00 0.00 ATOM 655 CG2 ILE 84 0.590 11.669 6.220 1.00 0.00 ATOM 656 CD1 ILE 84 -1.920 12.896 4.972 1.00 0.00 ATOM 657 O ILE 84 0.738 8.366 5.551 1.00 0.00 ATOM 658 C ILE 84 1.456 9.144 4.923 1.00 0.00 ATOM 659 N MET 85 2.779 9.031 4.879 1.00 0.00 ATOM 660 CA MET 85 3.472 7.970 5.595 1.00 0.00 ATOM 661 CB MET 85 4.782 7.613 4.889 1.00 0.00 ATOM 662 CG MET 85 4.602 7.083 3.476 1.00 0.00 ATOM 663 SD MET 85 3.646 5.555 3.424 1.00 0.00 ATOM 664 CE MET 85 4.792 4.411 4.187 1.00 0.00 ATOM 665 O MET 85 4.429 9.446 7.188 1.00 0.00 ATOM 666 C MET 85 3.849 8.396 7.000 1.00 0.00 ATOM 667 N ILE 86 3.481 7.565 7.945 1.00 0.00 ATOM 668 CA ILE 86 3.825 7.821 9.334 1.00 0.00 ATOM 669 CB ILE 86 2.558 7.697 10.200 1.00 0.00 ATOM 670 CG1 ILE 86 1.488 8.679 9.720 1.00 0.00 ATOM 671 CG2 ILE 86 2.874 8.004 11.655 1.00 0.00 ATOM 672 CD1 ILE 86 0.137 8.479 10.374 1.00 0.00 ATOM 673 O ILE 86 4.773 5.684 9.860 1.00 0.00 ATOM 674 C ILE 86 4.948 6.906 9.783 1.00 0.00 ATOM 675 N SER 87 6.129 7.458 10.089 1.00 0.00 ATOM 676 CA SER 87 7.215 6.682 10.671 1.00 0.00 ATOM 677 CB SER 87 8.494 7.434 10.297 1.00 0.00 ATOM 678 OG SER 87 9.634 6.819 10.872 1.00 0.00 ATOM 679 O SER 87 7.599 7.574 12.887 1.00 0.00 ATOM 680 C SER 87 7.197 6.625 12.202 1.00 0.00 ATOM 681 N GLN 88 6.724 5.500 12.725 1.00 0.00 ATOM 682 CA GLN 88 6.651 5.262 14.163 1.00 0.00 ATOM 683 CB GLN 88 7.747 4.715 14.802 1.00 0.00 ATOM 684 CG GLN 88 7.711 3.226 14.530 1.00 0.00 ATOM 685 CD GLN 88 8.618 2.460 15.459 1.00 0.00 ATOM 686 OE1 GLN 88 8.523 2.601 16.682 1.00 0.00 ATOM 687 NE2 GLN 88 9.509 1.644 14.896 1.00 0.00 ATOM 688 O GLN 88 6.392 7.218 15.542 1.00 0.00 ATOM 689 C GLN 88 5.851 6.223 15.039 1.00 0.00 ATOM 690 N ARG 89 4.439 5.960 15.134 1.00 0.00 ATOM 691 CA ARG 89 3.627 6.683 16.082 1.00 0.00 ATOM 692 CB ARG 89 2.527 5.394 16.495 1.00 0.00 ATOM 693 CG ARG 89 2.359 4.252 15.506 1.00 0.00 ATOM 694 CD ARG 89 1.147 3.404 15.881 1.00 0.00 ATOM 695 NE ARG 89 1.137 3.050 17.304 1.00 0.00 ATOM 696 CZ ARG 89 0.116 2.464 17.932 1.00 0.00 ATOM 697 NH1 ARG 89 -0.991 2.162 17.264 1.00 0.00 ATOM 698 NH2 ARG 89 0.199 2.175 19.231 1.00 0.00 ATOM 699 O ARG 89 4.248 7.900 18.052 1.00 0.00 ATOM 700 C ARG 89 4.198 6.808 17.489 1.00 0.00 ATOM 701 N LEU 90 4.635 5.679 18.068 1.00 0.00 ATOM 702 CA LEU 90 5.197 5.676 19.409 1.00 0.00 ATOM 703 CB LEU 90 5.492 4.232 19.820 1.00 0.00 ATOM 704 CG LEU 90 4.306 3.266 19.800 1.00 0.00 ATOM 705 CD1 LEU 90 4.759 1.851 20.127 1.00 0.00 ATOM 706 CD2 LEU 90 3.259 3.679 20.825 1.00 0.00 ATOM 707 O LEU 90 6.749 7.202 20.462 1.00 0.00 ATOM 708 C LEU 90 6.467 6.532 19.463 1.00 0.00 ATOM 709 N GLU 91 7.203 6.461 18.389 1.00 0.00 ATOM 710 CA GLU 91 8.443 7.224 18.316 1.00 0.00 ATOM 711 CB GLU 91 9.394 6.450 17.322 1.00 0.00 ATOM 712 CG GLU 91 10.801 7.029 17.209 1.00 0.00 ATOM 713 CD GLU 91 11.488 7.223 18.558 1.00 0.00 ATOM 714 OE1 GLU 91 11.305 6.386 19.466 1.00 0.00 ATOM 715 OE2 GLU 91 12.233 8.213 18.703 1.00 0.00 ATOM 716 O GLU 91 9.110 9.506 18.589 1.00 0.00 ATOM 717 C GLU 91 8.206 8.729 18.308 1.00 0.00 ATOM 718 N GLU 92 6.997 9.158 17.962 1.00 0.00 ATOM 719 CA GLU 92 6.699 10.586 17.976 1.00 0.00 ATOM 720 CB GLU 92 5.679 10.895 16.657 1.00 0.00 ATOM 721 CG GLU 92 5.735 12.264 15.976 1.00 0.00 ATOM 722 CD GLU 92 4.615 12.509 14.975 1.00 0.00 ATOM 723 OE1 GLU 92 4.529 13.644 14.458 1.00 0.00 ATOM 724 OE2 GLU 92 3.828 11.580 14.701 1.00 0.00 ATOM 725 O GLU 92 5.680 12.163 19.473 1.00 0.00 ATOM 726 C GLU 92 6.018 10.994 19.274 1.00 0.00 ATOM 727 N GLY 93 5.827 10.048 20.176 1.00 0.00 ATOM 728 CA GLY 93 5.191 10.320 21.451 1.00 0.00 ATOM 729 O GLY 93 3.001 10.903 22.332 1.00 0.00 ATOM 730 C GLY 93 3.673 10.492 21.353 1.00 0.00 ATOM 731 N LYS 94 3.112 10.149 20.201 1.00 0.00 ATOM 732 CA LYS 94 1.681 10.311 20.004 1.00 0.00 ATOM 733 CB LYS 94 1.333 10.225 18.517 1.00 0.00 ATOM 734 CG LYS 94 -0.127 10.515 18.203 1.00 0.00 ATOM 735 CD LYS 94 -0.391 10.463 16.708 1.00 0.00 ATOM 736 CE LYS 94 -1.846 10.766 16.392 1.00 0.00 ATOM 737 NZ LYS 94 -2.130 10.672 14.934 1.00 0.00 ATOM 738 O LYS 94 -0.287 9.738 21.241 1.00 0.00 ATOM 739 C LYS 94 0.849 9.385 20.893 1.00 0.00 ATOM 740 N VAL 95 1.569 8.194 20.931 1.00 0.00 ATOM 741 CA VAL 95 0.853 7.206 21.765 1.00 0.00 ATOM 742 CB VAL 95 0.413 5.965 20.967 1.00 0.00 ATOM 743 CG1 VAL 95 -0.248 4.948 21.883 1.00 0.00 ATOM 744 CG2 VAL 95 -0.583 6.354 19.884 1.00 0.00 ATOM 745 O VAL 95 3.115 6.980 22.541 1.00 0.00 ATOM 746 C VAL 95 1.911 6.877 22.825 1.00 0.00 ATOM 747 N LEU 96 1.511 6.476 24.025 1.00 0.00 ATOM 748 CA LEU 96 2.436 6.186 25.090 1.00 0.00 ATOM 749 CB LEU 96 1.958 6.812 26.401 1.00 0.00 ATOM 750 CG LEU 96 2.829 6.555 27.632 1.00 0.00 ATOM 751 CD1 LEU 96 4.216 7.147 27.443 1.00 0.00 ATOM 752 CD2 LEU 96 2.208 7.183 28.871 1.00 0.00 ATOM 753 O LEU 96 1.564 4.007 25.504 1.00 0.00 ATOM 754 C LEU 96 2.577 4.694 25.196 1.00 0.00 ATOM 755 N SER 97 3.719 4.163 24.993 1.00 0.00 ATOM 756 CA SER 97 3.949 2.729 24.960 1.00 0.00 ATOM 757 CB SER 97 4.575 2.263 23.644 1.00 0.00 ATOM 758 OG SER 97 5.823 2.896 23.420 1.00 0.00 ATOM 759 O SER 97 5.843 3.030 26.387 1.00 0.00 ATOM 760 C SER 97 4.890 2.298 26.033 1.00 0.00 ATOM 761 N ASP 98 4.640 1.101 26.535 1.00 0.00 ATOM 762 CA ASP 98 5.500 0.501 27.543 1.00 0.00 ATOM 763 CB ASP 98 4.967 -0.875 27.951 1.00 0.00 ATOM 764 CG ASP 98 3.718 -0.786 28.806 1.00 0.00 ATOM 765 OD1 ASP 98 3.398 0.326 29.277 1.00 0.00 ATOM 766 OD2 ASP 98 3.059 -1.828 29.007 1.00 0.00 ATOM 767 O ASP 98 7.866 0.469 27.898 1.00 0.00 ATOM 768 C ASP 98 6.941 0.322 27.096 1.00 0.00 ATOM 769 N LYS 99 7.133 -0.028 25.821 1.00 0.00 ATOM 770 CA LYS 99 8.478 -0.243 25.300 1.00 0.00 ATOM 771 CB LYS 99 8.357 -1.046 23.955 1.00 0.00 ATOM 772 CG LYS 99 7.697 -2.425 24.078 1.00 0.00 ATOM 773 CD LYS 99 6.296 -2.344 24.700 1.00 0.00 ATOM 774 CE LYS 99 5.251 -3.031 23.880 1.00 0.00 ATOM 775 NZ LYS 99 3.876 -2.822 24.431 1.00 0.00 ATOM 776 O LYS 99 10.494 1.059 25.275 1.00 0.00 ATOM 777 C LYS 99 9.259 1.062 25.189 1.00 0.00 ATOM 778 N GLU 100 8.606 2.225 25.035 1.00 0.00 ATOM 779 CA GLU 100 9.301 3.501 24.971 1.00 0.00 ATOM 780 CB GLU 100 8.272 4.576 24.617 1.00 0.00 ATOM 781 CG GLU 100 8.832 5.989 24.598 1.00 0.00 ATOM 782 CD GLU 100 7.793 7.023 24.210 1.00 0.00 ATOM 783 OE1 GLU 100 6.633 6.634 23.959 1.00 0.00 ATOM 784 OE2 GLU 100 8.138 8.222 24.159 1.00 0.00 ATOM 785 O GLU 100 10.908 4.198 26.623 1.00 0.00 ATOM 786 C GLU 100 9.789 3.728 26.401 1.00 0.00 ATOM 787 N ILE 101 8.955 3.345 27.399 1.00 0.00 ATOM 788 CA ILE 101 9.333 3.504 28.798 1.00 0.00 ATOM 789 CB ILE 101 8.143 3.194 29.725 1.00 0.00 ATOM 790 CG1 ILE 101 7.069 4.277 29.595 1.00 0.00 ATOM 791 CG2 ILE 101 8.598 3.137 31.175 1.00 0.00 ATOM 792 CD1 ILE 101 5.758 3.919 30.259 1.00 0.00 ATOM 793 O ILE 101 11.465 2.913 29.726 1.00 0.00 ATOM 794 C ILE 101 10.459 2.523 29.129 1.00 0.00 ATOM 795 N LYS 102 10.337 1.266 28.692 1.00 0.00 ATOM 796 CA LYS 102 11.366 0.286 28.923 1.00 0.00 ATOM 797 CB LYS 102 10.963 -1.065 28.330 1.00 0.00 ATOM 798 CG LYS 102 11.977 -2.174 28.563 1.00 0.00 ATOM 799 CD LYS 102 11.482 -3.500 28.010 1.00 0.00 ATOM 800 CE LYS 102 12.516 -4.598 28.201 1.00 0.00 ATOM 801 NZ LYS 102 12.054 -5.899 27.641 1.00 0.00 ATOM 802 O LYS 102 13.739 0.629 28.880 1.00 0.00 ATOM 803 C LYS 102 12.668 0.733 28.269 1.00 0.00 ATOM 804 N ASP 103 12.608 1.208 26.995 1.00 0.00 ATOM 805 CA ASP 103 13.807 1.685 26.305 1.00 0.00 ATOM 806 CB ASP 103 12.953 2.297 24.842 1.00 0.00 ATOM 807 CG ASP 103 13.591 2.317 23.431 1.00 0.00 ATOM 808 OD1 ASP 103 14.481 1.532 23.112 1.00 0.00 ATOM 809 OD2 ASP 103 13.245 3.178 22.624 1.00 0.00 ATOM 810 O ASP 103 15.626 2.962 27.164 1.00 0.00 ATOM 811 C ASP 103 14.412 2.878 27.003 1.00 0.00 ATOM 812 N MET 104 13.601 3.791 27.421 1.00 0.00 ATOM 813 CA MET 104 14.114 4.973 28.146 1.00 0.00 ATOM 814 CB MET 104 13.054 5.992 28.515 1.00 0.00 ATOM 815 CG MET 104 12.433 6.692 27.320 1.00 0.00 ATOM 816 SD MET 104 11.325 8.040 27.823 1.00 0.00 ATOM 817 CE MET 104 9.939 7.084 28.481 1.00 0.00 ATOM 818 O MET 104 15.953 5.089 29.677 1.00 0.00 ATOM 819 C MET 104 14.887 4.551 29.407 1.00 0.00 ATOM 820 N TYR 105 14.355 3.615 30.148 1.00 0.00 ATOM 821 CA TYR 105 14.986 3.166 31.371 1.00 0.00 ATOM 822 CB TYR 105 14.144 2.078 32.041 1.00 0.00 ATOM 823 CG TYR 105 14.754 1.525 33.309 1.00 0.00 ATOM 824 CD1 TYR 105 14.650 2.217 34.509 1.00 0.00 ATOM 825 CD2 TYR 105 15.431 0.314 33.302 1.00 0.00 ATOM 826 CE1 TYR 105 15.204 1.719 35.672 1.00 0.00 ATOM 827 CE2 TYR 105 15.993 -0.200 34.456 1.00 0.00 ATOM 828 CZ TYR 105 15.875 0.514 35.647 1.00 0.00 ATOM 829 OH TYR 105 16.427 0.016 36.803 1.00 0.00 ATOM 830 O TYR 105 17.330 2.862 31.862 1.00 0.00 ATOM 831 C TYR 105 16.367 2.584 31.159 1.00 0.00 ATOM 832 N ARG 106 16.472 1.648 30.238 1.00 0.00 ATOM 833 CA ARG 106 17.738 1.030 29.935 1.00 0.00 ATOM 834 CB ARG 106 17.691 -0.464 29.849 1.00 0.00 ATOM 835 CG ARG 106 17.658 -1.106 31.253 1.00 0.00 ATOM 836 CD ARG 106 17.728 -2.651 31.163 1.00 0.00 ATOM 837 NE ARG 106 16.601 -3.068 30.361 1.00 0.00 ATOM 838 CZ ARG 106 15.368 -3.342 30.743 1.00 0.00 ATOM 839 NH1 ARG 106 15.061 -3.311 32.067 1.00 0.00 ATOM 840 NH2 ARG 106 14.533 -3.648 29.716 1.00 0.00 ATOM 841 O ARG 106 19.350 1.916 28.415 1.00 0.00 ATOM 842 C ARG 106 18.226 1.391 28.574 1.00 0.00 ATOM 843 N GLN 107 17.465 1.274 27.315 1.00 0.00 ATOM 844 CA GLN 107 17.903 1.292 25.925 1.00 0.00 ATOM 845 CB GLN 107 17.222 0.222 25.071 1.00 0.00 ATOM 846 CG GLN 107 17.743 -1.187 25.307 1.00 0.00 ATOM 847 CD GLN 107 16.955 -2.234 24.545 1.00 0.00 ATOM 848 OE1 GLN 107 16.057 -1.908 23.770 1.00 0.00 ATOM 849 NE2 GLN 107 17.290 -3.500 24.766 1.00 0.00 ATOM 850 O GLN 107 18.828 2.929 24.444 1.00 0.00 ATOM 851 C GLN 107 17.810 2.377 24.869 1.00 0.00 ATOM 852 N GLY 108 16.588 2.728 24.485 1.00 0.00 ATOM 853 CA GLY 108 16.404 3.756 23.480 1.00 0.00 ATOM 854 O GLY 108 16.625 4.026 21.113 1.00 0.00 ATOM 855 C GLY 108 16.666 3.256 22.073 1.00 0.00 ATOM 856 N LYS 109 16.896 1.982 21.892 1.00 0.00 ATOM 857 CA LYS 109 17.152 1.323 20.646 1.00 0.00 ATOM 858 CB LYS 109 18.476 0.561 20.706 1.00 0.00 ATOM 859 CG LYS 109 19.701 1.451 20.844 1.00 0.00 ATOM 860 CD LYS 109 20.984 0.637 20.809 1.00 0.00 ATOM 861 CE LYS 109 22.205 1.523 20.988 1.00 0.00 ATOM 862 NZ LYS 109 23.471 0.741 20.929 1.00 0.00 ATOM 863 O LYS 109 15.538 -0.308 21.340 1.00 0.00 ATOM 864 C LYS 109 15.970 0.393 20.423 1.00 0.00 ATOM 865 N ILE 110 15.427 0.351 19.201 1.00 0.00 ATOM 866 CA ILE 110 14.301 -0.501 18.872 1.00 0.00 ATOM 867 CB ILE 110 12.998 0.326 18.715 1.00 0.00 ATOM 868 CG1 ILE 110 13.085 1.328 17.562 1.00 0.00 ATOM 869 CG2 ILE 110 12.624 1.045 19.998 1.00 0.00 ATOM 870 CD1 ILE 110 11.695 1.856 17.163 1.00 0.00 ATOM 871 O ILE 110 15.224 -0.984 16.690 1.00 0.00 ATOM 872 C ILE 110 14.670 -1.413 17.707 1.00 0.00 ATOM 873 N SER 111 13.712 -2.589 17.894 1.00 0.00 ATOM 874 CA SER 111 13.841 -3.555 16.813 1.00 0.00 ATOM 875 CB SER 111 13.925 -4.976 17.374 1.00 0.00 ATOM 876 OG SER 111 12.730 -5.330 18.050 1.00 0.00 ATOM 877 O SER 111 12.804 -3.312 14.658 1.00 0.00 ATOM 878 C SER 111 12.649 -3.491 15.867 1.00 0.00 ATOM 879 N PHE 112 11.366 -3.701 15.994 1.00 0.00 ATOM 880 CA PHE 112 10.109 -3.650 15.270 1.00 0.00 ATOM 881 CB PHE 112 9.280 -4.689 15.492 1.00 0.00 ATOM 882 CG PHE 112 9.292 -5.273 14.107 1.00 0.00 ATOM 883 CD1 PHE 112 10.115 -6.354 13.797 1.00 0.00 ATOM 884 CD2 PHE 112 8.501 -4.725 13.106 1.00 0.00 ATOM 885 CE1 PHE 112 10.148 -6.875 12.505 1.00 0.00 ATOM 886 CE2 PHE 112 8.527 -5.240 11.809 1.00 0.00 ATOM 887 CZ PHE 112 9.352 -6.314 11.511 1.00 0.00 ATOM 888 O PHE 112 9.257 -2.557 17.232 1.00 0.00 ATOM 889 C PHE 112 9.061 -2.892 16.058 1.00 0.00 ATOM 890 N TYR 113 7.939 -2.580 15.413 1.00 0.00 ATOM 891 CA TYR 113 6.855 -1.852 16.036 1.00 0.00 ATOM 892 CB TYR 113 6.578 -0.501 15.370 1.00 0.00 ATOM 893 CG TYR 113 6.199 -0.500 13.943 1.00 0.00 ATOM 894 CD1 TYR 113 4.899 -0.740 13.536 1.00 0.00 ATOM 895 CD2 TYR 113 7.104 -0.284 12.899 1.00 0.00 ATOM 896 CE1 TYR 113 4.522 -0.783 12.192 1.00 0.00 ATOM 897 CE2 TYR 113 6.755 -0.315 11.581 1.00 0.00 ATOM 898 CZ TYR 113 5.473 -0.563 11.228 1.00 0.00 ATOM 899 OH TYR 113 5.075 -0.640 9.873 1.00 0.00 ATOM 900 O TYR 113 5.444 -3.554 15.109 1.00 0.00 ATOM 901 C TYR 113 5.611 -2.729 16.011 1.00 0.00 ATOM 902 N GLU 114 4.756 -2.573 17.011 1.00 0.00 ATOM 903 CA GLU 114 3.519 -3.330 17.066 1.00 0.00 ATOM 904 CB GLU 114 3.806 -4.741 17.754 1.00 0.00 ATOM 905 CG GLU 114 3.864 -4.611 19.285 1.00 0.00 ATOM 906 CD GLU 114 3.995 -5.957 19.981 1.00 0.00 ATOM 907 OE1 GLU 114 4.012 -7.001 19.302 1.00 0.00 ATOM 908 OE2 GLU 114 4.119 -6.000 21.210 1.00 0.00 ATOM 909 O GLU 114 2.237 -1.757 18.336 1.00 0.00 ATOM 910 C GLU 114 2.397 -2.324 17.254 1.00 0.00 ATOM 911 N VAL 115 1.613 -2.119 16.197 1.00 0.00 ATOM 912 CA VAL 115 0.496 -1.181 16.266 1.00 0.00 ATOM 913 CB VAL 115 -0.051 -0.852 14.863 1.00 0.00 ATOM 914 CG1 VAL 115 -1.267 0.061 14.956 1.00 0.00 ATOM 915 CG2 VAL 115 1.044 -0.161 14.054 1.00 0.00 ATOM 916 O VAL 115 -1.021 -0.784 18.086 1.00 0.00 ATOM 917 C VAL 115 -0.426 -1.623 17.409 1.00 0.00 ATOM 918 N TRP 116 -0.507 -2.929 17.634 1.00 0.00 ATOM 919 CA TRP 116 -1.356 -3.424 18.713 1.00 0.00 ATOM 920 CB TRP 116 -2.012 -4.775 18.398 1.00 0.00 ATOM 921 CG TRP 116 -2.750 -5.364 19.581 1.00 0.00 ATOM 922 CD1 TRP 116 -3.047 -4.735 20.762 1.00 0.00 ATOM 923 CD2 TRP 116 -3.261 -6.697 19.702 1.00 0.00 ATOM 924 CE2 TRP 116 -3.850 -6.807 20.985 1.00 0.00 ATOM 925 CE3 TRP 116 -3.277 -7.813 18.852 1.00 0.00 ATOM 926 NE1 TRP 116 -3.704 -5.596 21.609 1.00 0.00 ATOM 927 CZ2 TRP 116 -4.447 -7.986 21.438 1.00 0.00 ATOM 928 CZ3 TRP 116 -3.872 -8.989 19.303 1.00 0.00 ATOM 929 CH2 TRP 116 -4.450 -9.066 20.586 1.00 0.00 ATOM 930 O TRP 116 0.381 -4.655 19.833 1.00 0.00 ATOM 931 C TRP 116 -0.234 -3.594 19.728 1.00 0.00 TER END