PFRMAT TS TARGET T0277 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 model is the resutl of sidechain replacement on the backbone of METHOD our top-scoring template (1jogA). Sidechain optimization was done METHOD with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0277-1jogA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 REMARK 6 REMARK 6 T0277 model 4 Sat Aug 14 13:44:33 2004 MODEL 4 PARENT 1jog_A ATOM 2 N ALA 2 -2.614 -5.359 9.729 1.00 0.00 ATOM 3 CA ALA 2 -2.263 -5.818 11.047 1.00 0.00 ATOM 4 CB ALA 2 -3.476 -6.419 11.740 1.00 0.00 ATOM 5 O ALA 2 -0.234 -6.891 11.817 1.00 0.00 ATOM 6 C ALA 2 -1.168 -6.888 10.987 1.00 0.00 ATOM 7 N SER 3 -1.282 -7.797 10.013 1.00 0.00 ATOM 8 CA SER 3 -0.233 -8.802 9.845 1.00 0.00 ATOM 9 CB SER 3 -0.608 -9.789 8.738 1.00 0.00 ATOM 10 OG SER 3 -1.742 -10.556 9.102 1.00 0.00 ATOM 11 O SER 3 2.172 -8.439 9.881 1.00 0.00 ATOM 12 C SER 3 1.090 -8.054 9.464 1.00 0.00 ATOM 13 N LEU 4 1.021 -6.991 8.673 1.00 0.00 ATOM 14 CA LEU 4 2.295 -6.320 8.355 1.00 0.00 ATOM 15 CB LEU 4 2.066 -5.177 7.363 1.00 0.00 ATOM 16 CG LEU 4 3.305 -4.377 6.952 1.00 0.00 ATOM 17 CD1 LEU 4 4.315 -5.272 6.253 1.00 0.00 ATOM 18 CD2 LEU 4 2.926 -3.252 6.002 1.00 0.00 ATOM 19 O LEU 4 4.003 -6.035 9.984 1.00 0.00 ATOM 20 C LEU 4 2.854 -5.780 9.638 1.00 0.00 ATOM 21 N ALA 5 2.011 -5.008 10.334 1.00 0.00 ATOM 22 CA ALA 5 2.401 -4.388 11.593 1.00 0.00 ATOM 23 CB ALA 5 1.189 -3.782 12.284 1.00 0.00 ATOM 24 O ALA 5 4.084 -5.155 13.154 1.00 0.00 ATOM 25 C ALA 5 3.026 -5.385 12.547 1.00 0.00 ATOM 26 N ARG 6 2.379 -6.513 12.693 1.00 0.00 ATOM 27 CA ARG 6 2.931 -7.491 13.561 1.00 0.00 ATOM 28 CB ARG 6 2.003 -8.702 13.665 1.00 0.00 ATOM 29 CG ARG 6 0.721 -8.438 14.437 1.00 0.00 ATOM 30 CD ARG 6 -0.191 -9.653 14.428 1.00 0.00 ATOM 31 NE ARG 6 -1.439 -9.408 15.146 1.00 0.00 ATOM 32 CZ ARG 6 -2.453 -10.265 15.197 1.00 0.00 ATOM 33 NH1 ARG 6 -3.550 -9.955 15.875 1.00 0.00 ATOM 34 NH2 ARG 6 -2.368 -11.430 14.570 1.00 0.00 ATOM 35 O ARG 6 5.126 -8.359 13.870 1.00 0.00 ATOM 36 C ARG 6 4.306 -8.003 13.077 1.00 0.00 ATOM 37 N ALA 7 4.545 -8.019 11.773 1.00 0.00 ATOM 38 CA ALA 7 5.784 -8.471 11.192 1.00 0.00 ATOM 39 CB ALA 7 5.661 -8.549 9.678 1.00 0.00 ATOM 40 O ALA 7 7.978 -7.810 12.022 1.00 0.00 ATOM 41 C ALA 7 6.843 -7.457 11.586 1.00 0.00 ATOM 42 N VAL 8 6.479 -6.189 11.399 1.00 0.00 ATOM 43 CA VAL 8 7.415 -5.175 11.755 1.00 0.00 ATOM 44 CB VAL 8 6.856 -3.768 11.473 1.00 0.00 ATOM 45 CG1 VAL 8 7.782 -2.704 12.040 1.00 0.00 ATOM 46 CG2 VAL 8 6.721 -3.539 9.975 1.00 0.00 ATOM 47 O VAL 8 8.950 -5.181 13.675 1.00 0.00 ATOM 48 C VAL 8 7.752 -5.267 13.269 1.00 0.00 ATOM 49 N GLU 9 6.751 -5.497 14.120 1.00 0.00 ATOM 50 CA GLU 9 7.110 -5.614 15.546 1.00 0.00 ATOM 51 CB GLU 9 5.883 -5.992 16.378 1.00 0.00 ATOM 52 CG GLU 9 6.151 -6.091 17.870 1.00 0.00 ATOM 53 CD GLU 9 4.906 -6.435 18.665 1.00 0.00 ATOM 54 OE1 GLU 9 3.829 -6.582 18.048 1.00 0.00 ATOM 55 OE2 GLU 9 5.006 -6.555 19.904 1.00 0.00 ATOM 56 O GLU 9 9.136 -6.409 16.603 1.00 0.00 ATOM 57 C GLU 9 8.184 -6.679 15.850 1.00 0.00 ATOM 58 N ARG 10 8.031 -7.893 15.308 1.00 0.00 ATOM 59 CA ARG 10 9.051 -8.910 15.576 1.00 0.00 ATOM 60 CB ARG 10 8.677 -10.234 14.904 1.00 0.00 ATOM 61 CG ARG 10 7.499 -10.945 15.548 1.00 0.00 ATOM 62 CD ARG 10 7.135 -12.211 14.789 1.00 0.00 ATOM 63 NE ARG 10 5.987 -12.893 15.380 1.00 0.00 ATOM 64 CZ ARG 10 5.420 -13.982 14.869 1.00 0.00 ATOM 65 NH1 ARG 10 4.379 -14.533 15.475 1.00 0.00 ATOM 66 NH2 ARG 10 5.898 -14.515 13.752 1.00 0.00 ATOM 67 O ARG 10 11.430 -8.797 15.636 1.00 0.00 ATOM 68 C ARG 10 10.410 -8.486 15.048 1.00 0.00 ATOM 69 N LEU 11 10.425 -7.792 13.923 1.00 0.00 ATOM 70 CA LEU 11 11.688 -7.435 13.308 1.00 0.00 ATOM 71 CB LEU 11 11.456 -6.821 11.926 1.00 0.00 ATOM 72 CG LEU 11 10.734 -7.701 10.905 1.00 0.00 ATOM 73 CD1 LEU 11 10.480 -6.933 9.616 1.00 0.00 ATOM 74 CD2 LEU 11 11.567 -8.930 10.569 1.00 0.00 ATOM 75 O LEU 11 13.664 -6.500 14.217 1.00 0.00 ATOM 76 C LEU 11 12.448 -6.428 14.141 1.00 0.00 ATOM 77 N LYS 12 15.207 -6.193 18.357 1.00 0.00 ATOM 78 CA LYS 12 16.587 -6.377 18.021 1.00 0.00 ATOM 79 CB LYS 12 17.406 -5.149 18.423 1.00 0.00 ATOM 80 CG LYS 12 17.135 -3.918 17.575 1.00 0.00 ATOM 81 CD LYS 12 17.983 -2.739 18.027 1.00 0.00 ATOM 82 CE LYS 12 17.695 -1.500 17.195 1.00 0.00 ATOM 83 NZ LYS 12 18.493 -0.328 17.649 1.00 0.00 ATOM 84 O LYS 12 18.050 -8.316 18.042 1.00 0.00 ATOM 85 C LYS 12 17.290 -7.567 18.676 1.00 0.00 ATOM 86 N ALA 13 17.026 -7.740 19.960 1.00 0.00 ATOM 87 CA ALA 13 17.583 -8.848 20.707 1.00 0.00 ATOM 88 CB ALA 13 17.100 -8.813 22.148 1.00 0.00 ATOM 89 O ALA 13 17.955 -11.111 20.112 1.00 0.00 ATOM 90 C ALA 13 17.179 -10.174 20.116 1.00 0.00 ATOM 91 N ALA 14 15.944 -10.261 19.636 1.00 0.00 ATOM 92 CA ALA 14 15.476 -11.527 19.087 1.00 0.00 ATOM 93 CB ALA 14 13.955 -11.570 19.079 1.00 0.00 ATOM 94 O ALA 14 16.534 -12.741 17.389 1.00 0.00 ATOM 95 C ALA 14 15.969 -11.683 17.694 1.00 0.00 ATOM 96 N LEU 15 15.757 -10.642 16.860 1.00 0.00 ATOM 97 CA LEU 15 16.198 -10.592 15.450 1.00 0.00 ATOM 98 CB LEU 15 15.732 -9.293 14.789 1.00 0.00 ATOM 99 CG LEU 15 16.020 -9.154 13.292 1.00 0.00 ATOM 100 CD1 LEU 15 15.333 -10.260 12.507 1.00 0.00 ATOM 101 CD2 LEU 15 15.516 -7.817 12.770 1.00 0.00 ATOM 102 O LEU 15 18.226 -11.258 14.328 1.00 0.00 ATOM 103 C LEU 15 17.750 -10.654 15.272 1.00 0.00 ATOM 104 N GLU 16 18.545 -10.083 16.179 1.00 0.00 ATOM 105 CA GLU 16 20.025 -10.158 16.002 1.00 0.00 ATOM 106 CB GLU 16 20.733 -9.277 17.033 1.00 0.00 ATOM 107 CG GLU 16 20.399 -7.798 16.920 1.00 0.00 ATOM 108 CD GLU 16 21.009 -6.977 18.040 1.00 0.00 ATOM 109 OE1 GLU 16 21.671 -7.568 18.918 1.00 0.00 ATOM 110 OE2 GLU 16 20.822 -5.742 18.039 1.00 0.00 ATOM 111 O GLU 16 21.714 -11.893 15.670 1.00 0.00 ATOM 112 C GLU 16 20.628 -11.590 16.163 1.00 0.00 ATOM 113 N ARG 17 18.950 -14.543 15.284 1.00 0.00 ATOM 114 CA ARG 17 18.495 -15.426 14.220 1.00 0.00 ATOM 115 CB ARG 17 17.285 -14.822 13.504 1.00 0.00 ATOM 116 CG ARG 17 16.039 -14.724 14.368 1.00 0.00 ATOM 117 CD ARG 17 14.885 -14.098 13.603 1.00 0.00 ATOM 118 NE ARG 17 13.668 -14.023 14.410 1.00 0.00 ATOM 119 CZ ARG 17 13.386 -13.029 15.245 1.00 0.00 ATOM 120 NH1 ARG 17 12.256 -13.046 15.939 1.00 0.00 ATOM 121 NH2 ARG 17 14.235 -12.021 15.385 1.00 0.00 ATOM 122 O ARG 17 20.408 -14.917 12.913 1.00 0.00 ATOM 123 C ARG 17 19.511 -15.711 13.150 1.00 0.00 ATOM 124 N PRO 18 19.411 -16.868 12.505 1.00 0.00 ATOM 125 CA PRO 18 20.444 -16.995 11.489 1.00 0.00 ATOM 126 CB PRO 18 20.311 -18.440 11.006 1.00 0.00 ATOM 127 CG PRO 18 18.876 -18.782 11.235 1.00 0.00 ATOM 128 CD PRO 18 18.477 -18.074 12.499 1.00 0.00 ATOM 129 O PRO 18 19.183 -15.459 10.043 1.00 0.00 ATOM 130 C PRO 18 20.253 -16.000 10.308 1.00 0.00 ATOM 131 N LYS 19 21.354 -15.727 9.652 1.00 0.00 ATOM 132 CA LYS 19 21.419 -14.834 8.500 1.00 0.00 ATOM 133 CB LYS 19 22.699 -15.083 7.701 1.00 0.00 ATOM 134 CG LYS 19 22.883 -14.149 6.516 1.00 0.00 ATOM 135 CD LYS 19 24.206 -14.402 5.812 1.00 0.00 ATOM 136 CE LYS 19 24.384 -13.477 4.620 1.00 0.00 ATOM 137 NZ LYS 19 25.678 -13.713 3.921 1.00 0.00 ATOM 138 O LYS 19 19.663 -14.009 7.129 1.00 0.00 ATOM 139 C LYS 19 20.256 -14.995 7.519 1.00 0.00 ATOM 140 N ASP 20 17.006 -13.707 9.079 1.00 0.00 ATOM 141 CA ASP 20 16.902 -12.273 9.100 1.00 0.00 ATOM 142 CB ASP 20 18.259 -11.642 9.419 1.00 0.00 ATOM 143 CG ASP 20 18.661 -11.828 10.868 1.00 0.00 ATOM 144 OD1 ASP 20 17.799 -12.228 11.678 1.00 0.00 ATOM 145 OD2 ASP 20 19.841 -11.573 11.195 1.00 0.00 ATOM 146 O ASP 20 15.565 -10.895 7.782 1.00 0.00 ATOM 147 C ASP 20 16.444 -11.716 7.786 1.00 0.00 ATOM 148 N GLU 21 17.009 -12.146 6.657 1.00 0.00 ATOM 149 CA GLU 21 16.580 -11.514 5.410 1.00 0.00 ATOM 150 CB GLU 21 17.671 -11.638 4.343 1.00 0.00 ATOM 151 CG GLU 21 18.941 -10.867 4.662 1.00 0.00 ATOM 152 CD GLU 21 20.007 -11.031 3.595 1.00 0.00 ATOM 153 OE1 GLU 21 19.732 -11.709 2.582 1.00 0.00 ATOM 154 OE2 GLU 21 21.114 -10.482 3.772 1.00 0.00 ATOM 155 O GLU 21 14.678 -11.419 3.936 1.00 0.00 ATOM 156 C GLU 21 15.320 -12.086 4.776 1.00 0.00 ATOM 157 N PHE 22 14.970 -13.309 5.145 1.00 0.00 ATOM 158 CA PHE 22 13.763 -13.862 4.586 1.00 0.00 ATOM 159 CB PHE 22 13.633 -15.342 4.951 1.00 0.00 ATOM 160 CG PHE 22 12.403 -15.998 4.391 1.00 0.00 ATOM 161 CD1 PHE 22 12.346 -16.373 3.060 1.00 0.00 ATOM 162 CD2 PHE 22 11.303 -16.241 5.195 1.00 0.00 ATOM 163 CE1 PHE 22 11.216 -16.977 2.545 1.00 0.00 ATOM 164 CE2 PHE 22 10.172 -16.846 4.679 1.00 0.00 ATOM 165 CZ PHE 22 10.126 -17.214 3.360 1.00 0.00 ATOM 166 O PHE 22 11.681 -12.707 4.549 1.00 0.00 ATOM 167 C PHE 22 12.650 -13.033 5.208 1.00 0.00 ATOM 168 N ILE 23 12.853 -12.649 6.465 1.00 0.00 ATOM 169 CA ILE 23 11.901 -11.859 7.216 1.00 0.00 ATOM 170 CB ILE 23 12.335 -11.696 8.684 1.00 0.00 ATOM 171 CG1 ILE 23 12.274 -13.040 9.411 1.00 0.00 ATOM 172 CG2 ILE 23 11.422 -10.716 9.404 1.00 0.00 ATOM 173 CD1 ILE 23 12.929 -13.028 10.773 1.00 0.00 ATOM 174 O ILE 23 10.623 -9.912 6.723 1.00 0.00 ATOM 175 C ILE 23 11.725 -10.469 6.663 1.00 0.00 ATOM 176 N ARG 24 12.807 -9.900 6.170 1.00 0.00 ATOM 177 CA ARG 24 12.722 -8.579 5.557 1.00 0.00 ATOM 178 CB ARG 24 14.117 -7.970 5.404 1.00 0.00 ATOM 179 CG ARG 24 14.765 -7.564 6.719 1.00 0.00 ATOM 180 CD ARG 24 16.180 -7.056 6.503 1.00 0.00 ATOM 181 NE ARG 24 16.800 -6.616 7.752 1.00 0.00 ATOM 182 CZ ARG 24 18.074 -6.256 7.867 1.00 0.00 ATOM 183 NH1 ARG 24 18.550 -5.870 9.042 1.00 0.00 ATOM 184 NH2 ARG 24 18.870 -6.284 6.806 1.00 0.00 ATOM 185 O ARG 24 11.296 -7.929 3.782 1.00 0.00 ATOM 186 C ARG 24 12.083 -8.760 4.204 1.00 0.00 ATOM 187 N ASP 25 12.455 -9.834 3.496 1.00 0.00 ATOM 188 CA ASP 25 11.841 -10.173 2.193 1.00 0.00 ATOM 189 CB ASP 25 12.370 -11.516 1.685 1.00 0.00 ATOM 190 CG ASP 25 13.803 -11.431 1.198 1.00 0.00 ATOM 191 OD1 ASP 25 14.309 -10.299 1.038 1.00 0.00 ATOM 192 OD2 ASP 25 14.419 -12.494 0.975 1.00 0.00 ATOM 193 O ASP 25 9.531 -9.643 1.730 1.00 0.00 ATOM 194 C ASP 25 10.304 -10.253 2.428 1.00 0.00 ATOM 195 N SER 26 9.903 -10.972 3.475 1.00 0.00 ATOM 196 CA SER 26 8.492 -11.166 3.794 1.00 0.00 ATOM 197 CB SER 26 8.338 -12.118 4.983 1.00 0.00 ATOM 198 OG SER 26 8.782 -13.422 4.653 1.00 0.00 ATOM 199 O SER 26 6.583 -9.783 3.762 1.00 0.00 ATOM 200 C SER 26 7.723 -9.920 4.167 1.00 0.00 ATOM 201 N ALA 27 8.349 -9.054 4.963 1.00 0.00 ATOM 202 CA ALA 27 7.768 -7.768 5.380 1.00 0.00 ATOM 203 CB ALA 27 8.707 -7.049 6.336 1.00 0.00 ATOM 204 O ALA 27 6.589 -6.242 4.019 1.00 0.00 ATOM 205 C ALA 27 7.556 -6.924 4.115 1.00 0.00 ATOM 206 N ILE 28 8.463 -7.043 3.130 1.00 0.00 ATOM 207 CA ILE 28 8.344 -6.272 1.905 1.00 0.00 ATOM 208 CB ILE 28 9.613 -6.385 1.041 1.00 0.00 ATOM 209 CG1 ILE 28 10.793 -5.699 1.734 1.00 0.00 ATOM 210 CG2 ILE 28 9.398 -5.723 -0.311 1.00 0.00 ATOM 211 CD1 ILE 28 12.131 -5.985 1.088 1.00 0.00 ATOM 212 O ILE 28 6.347 -6.031 0.447 1.00 0.00 ATOM 213 C ILE 28 7.133 -6.788 1.059 1.00 0.00 ATOM 214 N GLN 29 6.975 -8.081 1.090 1.00 0.00 ATOM 215 CA GLN 29 5.884 -8.744 0.384 1.00 0.00 ATOM 216 CB GLN 29 6.015 -10.264 0.500 1.00 0.00 ATOM 217 CG GLN 29 7.174 -10.849 -0.292 1.00 0.00 ATOM 218 CD GLN 29 7.343 -12.338 -0.062 1.00 0.00 ATOM 219 OE1 GLN 29 6.648 -12.932 0.762 1.00 0.00 ATOM 220 NE2 GLN 29 8.269 -12.947 -0.794 1.00 0.00 ATOM 221 O GLN 29 3.573 -8.157 0.301 1.00 0.00 ATOM 222 C GLN 29 4.572 -8.309 0.993 1.00 0.00 ATOM 223 N ARG 30 4.587 -8.171 2.319 1.00 0.00 ATOM 224 CA ARG 30 3.441 -7.806 3.034 1.00 0.00 ATOM 225 CB ARG 30 3.652 -8.029 4.533 1.00 0.00 ATOM 226 CG ARG 30 3.702 -9.491 4.943 1.00 0.00 ATOM 227 CD ARG 30 3.995 -9.640 6.427 1.00 0.00 ATOM 228 NE ARG 30 4.055 -11.040 6.835 1.00 0.00 ATOM 229 CZ ARG 30 4.422 -11.451 8.044 1.00 0.00 ATOM 230 NH1 ARG 30 4.448 -12.746 8.326 1.00 0.00 ATOM 231 NH2 ARG 30 4.765 -10.565 8.969 1.00 0.00 ATOM 232 O ARG 30 2.019 -5.988 2.729 1.00 0.00 ATOM 233 C ARG 30 3.160 -6.351 2.779 1.00 0.00 ATOM 234 N PHE 31 4.194 -5.527 2.612 1.00 0.00 ATOM 235 CA PHE 31 3.969 -4.118 2.308 1.00 0.00 ATOM 236 CB PHE 31 5.300 -3.372 2.210 1.00 0.00 ATOM 237 CG PHE 31 5.156 -1.911 1.890 1.00 0.00 ATOM 238 CD1 PHE 31 4.805 -1.004 2.875 1.00 0.00 ATOM 239 CD2 PHE 31 5.368 -1.444 0.605 1.00 0.00 ATOM 240 CE1 PHE 31 4.671 0.339 2.582 1.00 0.00 ATOM 241 CE2 PHE 31 5.234 -0.101 0.311 1.00 0.00 ATOM 242 CZ PHE 31 4.887 0.791 1.293 1.00 0.00 ATOM 243 O PHE 31 2.308 -3.165 0.777 1.00 0.00 ATOM 244 C PHE 31 3.216 -3.972 0.943 1.00 0.00 ATOM 245 N GLU 32 3.591 -4.820 -0.001 1.00 0.00 ATOM 246 CA GLU 32 2.998 -4.819 -1.297 1.00 0.00 ATOM 247 CB GLU 32 3.691 -5.838 -2.205 1.00 0.00 ATOM 248 CG GLU 32 5.102 -5.448 -2.613 1.00 0.00 ATOM 249 CD GLU 32 5.799 -6.534 -3.406 1.00 0.00 ATOM 250 OE1 GLU 32 5.208 -7.622 -3.574 1.00 0.00 ATOM 251 OE2 GLU 32 6.939 -6.299 -3.862 1.00 0.00 ATOM 252 O GLU 32 0.667 -4.576 -1.788 1.00 0.00 ATOM 253 C GLU 32 1.507 -5.190 -1.135 1.00 0.00 ATOM 254 N PHE 33 1.164 -6.166 -0.278 1.00 0.00 ATOM 255 CA PHE 33 -0.256 -6.506 -0.117 1.00 0.00 ATOM 256 CB PHE 33 -0.424 -7.629 0.907 1.00 0.00 ATOM 257 CG PHE 33 -1.856 -8.010 1.162 1.00 0.00 ATOM 258 CD1 PHE 33 -2.537 -8.825 0.277 1.00 0.00 ATOM 259 CD2 PHE 33 -2.520 -7.549 2.286 1.00 0.00 ATOM 260 CE1 PHE 33 -3.853 -9.175 0.510 1.00 0.00 ATOM 261 CE2 PHE 33 -3.837 -7.898 2.518 1.00 0.00 ATOM 262 CZ PHE 33 -4.504 -8.708 1.637 1.00 0.00 ATOM 263 O PHE 33 -2.112 -5.050 -0.244 1.00 0.00 ATOM 264 C PHE 33 -1.081 -5.340 0.359 1.00 0.00 ATOM 265 N THR 34 -0.668 -4.660 1.428 1.00 0.00 ATOM 266 CA THR 34 -1.472 -3.505 1.917 1.00 0.00 ATOM 267 CB THR 34 -0.856 -2.884 3.184 1.00 0.00 ATOM 268 CG2 THR 34 -0.804 -3.907 4.308 1.00 0.00 ATOM 269 OG1 THR 34 0.476 -2.437 2.901 1.00 0.00 ATOM 270 O THR 34 -2.663 -1.785 0.698 1.00 0.00 ATOM 271 C THR 34 -1.608 -2.344 0.902 1.00 0.00 ATOM 272 N PHE 35 -0.519 -2.038 0.234 1.00 0.00 ATOM 273 CA PHE 35 -0.499 -1.033 -0.795 1.00 0.00 ATOM 274 CB PHE 35 0.866 -0.999 -1.485 1.00 0.00 ATOM 275 CG PHE 35 0.953 -0.005 -2.607 1.00 0.00 ATOM 276 CD1 PHE 35 1.123 1.344 -2.346 1.00 0.00 ATOM 277 CD2 PHE 35 0.867 -0.418 -3.926 1.00 0.00 ATOM 278 CE1 PHE 35 1.204 2.259 -3.378 1.00 0.00 ATOM 279 CE2 PHE 35 0.948 0.497 -4.958 1.00 0.00 ATOM 280 CZ PHE 35 1.115 1.829 -4.690 1.00 0.00 ATOM 281 O PHE 35 -2.460 -0.475 -2.169 1.00 0.00 ATOM 282 C PHE 35 -1.580 -1.326 -1.866 1.00 0.00 ATOM 283 N GLU 36 -1.440 -2.487 -2.501 1.00 0.00 ATOM 284 CA GLU 36 -2.404 -2.946 -3.495 1.00 0.00 ATOM 285 CB GLU 36 -2.096 -4.385 -3.915 1.00 0.00 ATOM 286 CG GLU 36 -3.039 -4.938 -4.970 1.00 0.00 ATOM 287 CD GLU 36 -2.679 -6.348 -5.392 1.00 0.00 ATOM 288 OE1 GLU 36 -1.671 -6.882 -4.881 1.00 0.00 ATOM 289 OE2 GLU 36 -3.404 -6.923 -6.232 1.00 0.00 ATOM 290 O GLU 36 -4.707 -2.266 -3.550 1.00 0.00 ATOM 291 C GLU 36 -3.870 -2.924 -2.971 1.00 0.00 ATOM 292 N LEU 37 -4.101 -3.557 -1.832 1.00 0.00 ATOM 293 CA LEU 37 -5.423 -3.634 -1.217 1.00 0.00 ATOM 294 CB LEU 37 -5.373 -4.477 0.059 1.00 0.00 ATOM 295 CG LEU 37 -6.696 -4.659 0.804 1.00 0.00 ATOM 296 CD1 LEU 37 -7.715 -5.369 -0.074 1.00 0.00 ATOM 297 CD2 LEU 37 -6.494 -5.488 2.063 1.00 0.00 ATOM 298 O LEU 37 -7.074 -1.865 -1.123 1.00 0.00 ATOM 299 C LEU 37 -5.896 -2.240 -0.868 1.00 0.00 ATOM 300 N ALA 38 -4.986 -1.438 -0.313 1.00 0.00 ATOM 301 CA ALA 38 -5.391 -0.052 0.038 1.00 0.00 ATOM 302 CB ALA 38 -4.208 0.718 0.607 1.00 0.00 ATOM 303 O ALA 38 -6.862 1.356 -1.181 1.00 0.00 ATOM 304 C ALA 38 -5.883 0.620 -1.228 1.00 0.00 ATOM 305 N TRP 39 -5.208 0.396 -2.366 1.00 0.00 ATOM 306 CA TRP 39 -5.687 1.052 -3.559 1.00 0.00 ATOM 307 CB TRP 39 -4.625 1.007 -4.658 1.00 0.00 ATOM 308 CG TRP 39 -5.072 1.626 -5.948 1.00 0.00 ATOM 309 CD1 TRP 39 -5.039 2.951 -6.276 1.00 0.00 ATOM 310 CD2 TRP 39 -5.615 0.942 -7.084 1.00 0.00 ATOM 311 CE2 TRP 39 -5.892 1.918 -8.064 1.00 0.00 ATOM 312 CE3 TRP 39 -5.897 -0.397 -7.370 1.00 0.00 ATOM 313 NE1 TRP 39 -5.531 3.136 -7.546 1.00 0.00 ATOM 314 CZ2 TRP 39 -6.434 1.596 -9.306 1.00 0.00 ATOM 315 CZ3 TRP 39 -6.435 -0.712 -8.602 1.00 0.00 ATOM 316 CH2 TRP 39 -6.700 0.276 -9.557 1.00 0.00 ATOM 317 O TRP 39 -7.784 1.059 -4.725 1.00 0.00 ATOM 318 C TRP 39 -6.945 0.394 -4.104 1.00 0.00 ATOM 319 N LYS 40 -7.105 -0.902 -3.859 1.00 0.00 ATOM 320 CA LYS 40 -8.303 -1.541 -4.359 1.00 0.00 ATOM 321 CB LYS 40 -8.242 -3.052 -4.121 1.00 0.00 ATOM 322 CG LYS 40 -7.225 -3.777 -4.985 1.00 0.00 ATOM 323 CD LYS 40 -7.221 -5.269 -4.701 1.00 0.00 ATOM 324 CE LYS 40 -6.180 -5.989 -5.543 1.00 0.00 ATOM 325 NZ LYS 40 -6.149 -7.450 -5.258 1.00 0.00 ATOM 326 O LYS 40 -10.461 -0.626 -4.212 1.00 0.00 ATOM 327 C LYS 40 -9.476 -0.936 -3.602 1.00 0.00 ATOM 328 N THR 41 -9.319 -0.699 -2.297 1.00 0.00 ATOM 329 CA THR 41 -10.381 -0.136 -1.457 1.00 0.00 ATOM 330 CB THR 41 -9.989 -0.145 0.032 1.00 0.00 ATOM 331 CG2 THR 41 -9.731 -1.568 0.506 1.00 0.00 ATOM 332 OG1 THR 41 -8.798 0.630 0.219 1.00 0.00 ATOM 333 O THR 41 -11.866 1.656 -1.816 1.00 0.00 ATOM 334 C THR 41 -10.711 1.298 -1.809 1.00 0.00 ATOM 335 N LEU 42 -9.719 2.125 -2.110 1.00 0.00 ATOM 336 CA LEU 42 -10.053 3.464 -2.472 1.00 0.00 ATOM 337 CB LEU 42 -8.786 4.283 -2.724 1.00 0.00 ATOM 338 CG LEU 42 -7.928 4.600 -1.497 1.00 0.00 ATOM 339 CD1 LEU 42 -6.619 5.256 -1.909 1.00 0.00 ATOM 340 CD2 LEU 42 -8.661 5.550 -0.560 1.00 0.00 ATOM 341 O LEU 42 -11.796 4.074 -3.963 1.00 0.00 ATOM 342 C LEU 42 -10.886 3.319 -3.744 1.00 0.00 ATOM 343 N LYS 43 -10.534 2.367 -4.593 1.00 0.00 ATOM 344 CA LYS 43 -11.208 2.218 -5.853 1.00 0.00 ATOM 345 CB LYS 43 -10.510 1.163 -6.714 1.00 0.00 ATOM 346 CG LYS 43 -11.165 0.931 -8.066 1.00 0.00 ATOM 347 CD LYS 43 -10.397 -0.094 -8.883 1.00 0.00 ATOM 348 CE LYS 43 -11.062 -0.339 -10.228 1.00 0.00 ATOM 349 NZ LYS 43 -10.338 -1.366 -11.027 1.00 0.00 ATOM 350 O LYS 43 -13.613 2.443 -6.051 1.00 0.00 ATOM 351 C LYS 43 -12.657 1.781 -5.618 1.00 0.00 ATOM 352 N THR 44 -12.837 0.686 -4.894 1.00 0.00 ATOM 353 CA THR 44 -14.184 0.250 -4.668 1.00 0.00 ATOM 354 CB THR 44 -14.228 -1.021 -3.799 1.00 0.00 ATOM 355 CG2 THR 44 -15.665 -1.441 -3.541 1.00 0.00 ATOM 356 OG1 THR 44 -13.546 -2.087 -4.473 1.00 0.00 ATOM 357 O THR 44 -16.176 1.386 -4.152 1.00 0.00 ATOM 358 C THR 44 -14.980 1.316 -3.961 1.00 0.00 ATOM 359 N PHE 45 -14.325 2.152 -3.166 1.00 0.00 ATOM 360 CA PHE 45 -15.033 3.175 -2.410 1.00 0.00 ATOM 361 CB PHE 45 -14.081 3.884 -1.445 1.00 0.00 ATOM 362 CG PHE 45 -14.731 4.975 -0.643 1.00 0.00 ATOM 363 CD1 PHE 45 -15.513 4.673 0.457 1.00 0.00 ATOM 364 CD2 PHE 45 -14.561 6.304 -0.991 1.00 0.00 ATOM 365 CE1 PHE 45 -16.113 5.677 1.194 1.00 0.00 ATOM 366 CE2 PHE 45 -15.159 7.308 -0.254 1.00 0.00 ATOM 367 CZ PHE 45 -15.933 6.999 0.835 1.00 0.00 ATOM 368 O PHE 45 -16.766 4.492 -3.282 1.00 0.00 ATOM 369 C PHE 45 -15.615 4.192 -3.362 1.00 0.00 ATOM 370 N LEU 46 -14.812 4.688 -4.283 1.00 0.00 ATOM 371 CA LEU 46 -15.212 5.670 -5.261 1.00 0.00 ATOM 372 CB LEU 46 -13.990 6.218 -6.000 1.00 0.00 ATOM 373 CG LEU 46 -13.025 7.071 -5.175 1.00 0.00 ATOM 374 CD1 LEU 46 -11.785 7.418 -5.986 1.00 0.00 ATOM 375 CD2 LEU 46 -13.688 8.369 -4.742 1.00 0.00 ATOM 376 O LEU 46 -16.996 5.818 -6.834 1.00 0.00 ATOM 377 C LEU 46 -16.154 5.096 -6.300 1.00 0.00 ATOM 378 N GLU 47 -16.000 3.798 -6.559 1.00 0.00 ATOM 379 CA GLU 47 -16.774 3.012 -7.543 1.00 0.00 ATOM 380 CB GLU 47 -16.103 1.661 -7.796 1.00 0.00 ATOM 381 CG GLU 47 -16.796 0.811 -8.849 1.00 0.00 ATOM 382 CD GLU 47 -16.053 -0.479 -9.139 1.00 0.00 ATOM 383 OE1 GLU 47 -14.982 -0.696 -8.533 1.00 0.00 ATOM 384 OE2 GLU 47 -16.541 -1.272 -9.970 1.00 0.00 ATOM 385 O GLU 47 -19.090 2.595 -7.901 1.00 0.00 ATOM 386 C GLU 47 -18.207 2.724 -7.087 1.00 0.00 ATOM 387 N LEU 48 -18.400 2.638 -5.781 1.00 0.00 ATOM 388 CA LEU 48 -19.675 2.378 -5.162 1.00 0.00 ATOM 389 CB LEU 48 -19.523 1.361 -4.029 1.00 0.00 ATOM 390 CG LEU 48 -19.004 -0.022 -4.424 1.00 0.00 ATOM 391 CD1 LEU 48 -18.807 -0.894 -3.194 1.00 0.00 ATOM 392 CD2 LEU 48 -19.986 -0.722 -5.351 1.00 0.00 ATOM 393 O LEU 48 -21.444 3.838 -4.453 1.00 0.00 ATOM 394 C LEU 48 -20.238 3.675 -4.592 1.00 0.00 ATOM 395 N GLN 49 -19.356 4.598 -4.246 1.00 0.00 ATOM 396 CA GLN 49 -19.760 5.817 -3.541 1.00 0.00 ATOM 397 CB GLN 49 -18.555 6.734 -3.324 1.00 0.00 ATOM 398 CG GLN 49 -18.874 8.006 -2.557 1.00 0.00 ATOM 399 CD GLN 49 -17.652 8.876 -2.334 1.00 0.00 ATOM 400 OE1 GLN 49 -16.556 8.551 -2.793 1.00 0.00 ATOM 401 NE2 GLN 49 -17.837 9.986 -1.630 1.00 0.00 ATOM 402 O GLN 49 -21.897 6.897 -3.583 1.00 0.00 ATOM 403 C GLN 49 -20.786 6.759 -4.117 1.00 0.00 ATOM 404 N GLY 50 -20.407 7.468 -5.155 1.00 0.00 ATOM 405 CA GLY 50 -21.371 8.364 -5.709 1.00 0.00 ATOM 406 O GLY 50 -22.794 7.925 -7.624 1.00 0.00 ATOM 407 C GLY 50 -21.669 7.812 -7.104 1.00 0.00 ATOM 408 N LEU 51 -20.658 7.151 -7.657 1.00 0.00 ATOM 409 CA LEU 51 -20.707 6.576 -8.999 1.00 0.00 ATOM 410 CB LEU 51 -19.428 5.787 -9.289 1.00 0.00 ATOM 411 CG LEU 51 -19.330 5.146 -10.675 1.00 0.00 ATOM 412 CD1 LEU 51 -19.318 6.211 -11.761 1.00 0.00 ATOM 413 CD2 LEU 51 -18.052 4.328 -10.798 1.00 0.00 ATOM 414 O LEU 51 -22.140 4.657 -8.528 1.00 0.00 ATOM 415 C LEU 51 -21.867 5.590 -9.294 1.00 0.00 ATOM 416 N GLU 52 -12.738 2.572 -15.031 1.00 0.00 ATOM 417 CA GLU 52 -11.657 1.936 -15.729 1.00 0.00 ATOM 418 CB GLU 52 -12.197 0.956 -16.774 1.00 0.00 ATOM 419 CG GLU 52 -12.836 -0.290 -16.183 1.00 0.00 ATOM 420 CD GLU 52 -13.468 -1.177 -17.238 1.00 0.00 ATOM 421 OE1 GLU 52 -13.471 -0.779 -18.423 1.00 0.00 ATOM 422 OE2 GLU 52 -13.960 -2.267 -16.883 1.00 0.00 ATOM 423 O GLU 52 -9.765 3.207 -16.403 1.00 0.00 ATOM 424 C GLU 52 -10.982 3.139 -16.327 1.00 0.00 ATOM 425 N ALA 53 -11.778 4.113 -16.741 1.00 0.00 ATOM 426 CA ALA 53 -11.201 5.317 -17.312 1.00 0.00 ATOM 427 CB ALA 53 -12.283 6.359 -17.556 1.00 0.00 ATOM 428 O ALA 53 -9.313 6.656 -16.697 1.00 0.00 ATOM 429 C ALA 53 -10.181 5.849 -16.322 1.00 0.00 ATOM 430 N ARG 54 -10.284 5.371 -15.073 1.00 0.00 ATOM 431 CA ARG 54 -9.391 5.797 -13.973 1.00 0.00 ATOM 432 CB ARG 54 -10.114 5.701 -12.628 1.00 0.00 ATOM 433 CG ARG 54 -11.357 6.570 -12.527 1.00 0.00 ATOM 434 CD ARG 54 -12.092 6.332 -11.218 1.00 0.00 ATOM 435 NE ARG 54 -12.778 5.043 -11.202 1.00 0.00 ATOM 436 CZ ARG 54 -13.321 4.500 -10.118 1.00 0.00 ATOM 437 NH1 ARG 54 -13.926 3.321 -10.199 1.00 0.00 ATOM 438 NH2 ARG 54 -13.258 5.133 -8.955 1.00 0.00 ATOM 439 O ARG 54 -8.069 3.876 -13.435 1.00 0.00 ATOM 440 C ARG 54 -8.083 5.064 -13.716 1.00 0.00 ATOM 441 N SER 55 -6.997 5.812 -13.776 1.00 0.00 ATOM 442 CA SER 55 -5.706 5.249 -13.472 1.00 0.00 ATOM 443 CB SER 55 -4.651 5.766 -14.453 1.00 0.00 ATOM 444 OG SER 55 -4.400 7.146 -14.250 1.00 0.00 ATOM 445 O SER 55 -6.016 6.372 -11.356 1.00 0.00 ATOM 446 C SER 55 -5.315 5.651 -12.052 1.00 0.00 ATOM 447 N PRO 56 -4.165 5.165 -11.627 1.00 0.00 ATOM 448 CA PRO 56 -3.624 5.443 -10.316 1.00 0.00 ATOM 449 CB PRO 56 -2.109 5.359 -10.513 1.00 0.00 ATOM 450 CG PRO 56 -1.931 4.360 -11.606 1.00 0.00 ATOM 451 CD PRO 56 -3.017 4.637 -12.607 1.00 0.00 ATOM 452 O PRO 56 -4.688 6.904 -8.679 1.00 0.00 ATOM 453 C PRO 56 -3.982 6.808 -9.718 1.00 0.00 ATOM 454 N ARG 57 -3.489 7.852 -10.382 1.00 0.00 ATOM 455 CA ARG 57 -3.686 9.277 -9.992 1.00 0.00 ATOM 456 CB ARG 57 -2.959 10.205 -10.968 1.00 0.00 ATOM 457 CG ARG 57 -1.443 10.143 -10.872 1.00 0.00 ATOM 458 CD ARG 57 -0.787 11.039 -11.910 1.00 0.00 ATOM 459 NE ARG 57 0.670 10.933 -11.882 1.00 0.00 ATOM 460 CZ ARG 57 1.472 11.409 -12.828 1.00 0.00 ATOM 461 NH1 ARG 57 2.786 11.266 -12.718 1.00 0.00 ATOM 462 NH2 ARG 57 0.958 12.030 -13.882 1.00 0.00 ATOM 463 O ARG 57 -5.383 10.839 -9.189 1.00 0.00 ATOM 464 C ARG 57 -5.109 9.871 -9.930 1.00 0.00 ATOM 465 N ALA 58 -6.020 9.276 -10.661 1.00 0.00 ATOM 466 CA ALA 58 -7.399 9.716 -10.612 1.00 0.00 ATOM 467 CB ALA 58 -8.170 9.179 -11.807 1.00 0.00 ATOM 468 O ALA 58 -8.585 9.850 -8.543 1.00 0.00 ATOM 469 C ALA 58 -7.927 9.156 -9.317 1.00 0.00 ATOM 470 N ALA 59 -7.631 7.886 -9.072 1.00 0.00 ATOM 471 CA ALA 59 -8.048 7.190 -7.849 1.00 0.00 ATOM 472 CB ALA 59 -7.467 5.785 -7.815 1.00 0.00 ATOM 473 O ALA 59 -8.262 8.259 -5.655 1.00 0.00 ATOM 474 C ALA 59 -7.520 8.013 -6.632 1.00 0.00 ATOM 475 N ILE 60 -6.242 8.429 -6.685 1.00 0.00 ATOM 476 CA ILE 60 -5.677 9.206 -5.567 1.00 0.00 ATOM 477 CB ILE 60 -4.168 9.449 -5.754 1.00 0.00 ATOM 478 CG1 ILE 60 -3.400 8.131 -5.653 1.00 0.00 ATOM 479 CG2 ILE 60 -3.644 10.396 -4.684 1.00 0.00 ATOM 480 CD1 ILE 60 -1.953 8.233 -6.084 1.00 0.00 ATOM 481 O ILE 60 -6.731 10.933 -4.416 1.00 0.00 ATOM 482 C ILE 60 -6.368 10.532 -5.489 1.00 0.00 ATOM 483 N ARG 61 -6.524 11.237 -6.601 1.00 0.00 ATOM 484 CA ARG 61 -7.277 12.495 -6.532 1.00 0.00 ATOM 485 CB ARG 61 -7.454 13.090 -7.929 1.00 0.00 ATOM 486 CG ARG 61 -8.133 14.450 -7.943 1.00 0.00 ATOM 487 CD ARG 61 -8.394 14.924 -9.364 1.00 0.00 ATOM 488 NE ARG 61 -9.375 14.085 -10.048 1.00 0.00 ATOM 489 CZ ARG 61 -10.688 14.162 -9.856 1.00 0.00 ATOM 490 NH1 ARG 61 -11.504 13.358 -10.524 1.00 0.00 ATOM 491 NH2 ARG 61 -11.181 15.043 -8.996 1.00 0.00 ATOM 492 O ARG 61 -9.052 13.111 -5.036 1.00 0.00 ATOM 493 C ARG 61 -8.679 12.334 -5.936 1.00 0.00 ATOM 494 N GLY 62 -9.458 11.344 -6.408 1.00 0.00 ATOM 495 CA GLY 62 -10.819 11.131 -5.868 1.00 0.00 ATOM 496 O GLY 62 -11.486 11.427 -3.589 1.00 0.00 ATOM 497 C GLY 62 -10.780 10.825 -4.379 1.00 0.00 ATOM 498 N ALA 63 -9.888 9.930 -3.993 1.00 0.00 ATOM 499 CA ALA 63 -9.704 9.569 -2.604 1.00 0.00 ATOM 500 CB ALA 63 -8.500 8.653 -2.449 1.00 0.00 ATOM 501 O ALA 63 -9.939 10.803 -0.586 1.00 0.00 ATOM 502 C ALA 63 -9.469 10.800 -1.723 1.00 0.00 ATOM 503 N PHE 64 -8.737 11.808 -2.234 1.00 0.00 ATOM 504 CA PHE 64 -8.444 13.070 -1.518 1.00 0.00 ATOM 505 CB PHE 64 -7.402 13.889 -2.281 1.00 0.00 ATOM 506 CG PHE 64 -7.067 15.202 -1.631 1.00 0.00 ATOM 507 CD1 PHE 64 -6.215 15.255 -0.543 1.00 0.00 ATOM 508 CD2 PHE 64 -7.606 16.384 -2.109 1.00 0.00 ATOM 509 CE1 PHE 64 -5.907 16.462 0.055 1.00 0.00 ATOM 510 CE2 PHE 64 -7.299 17.592 -1.511 1.00 0.00 ATOM 511 CZ PHE 64 -6.453 17.634 -0.434 1.00 0.00 ATOM 512 O PHE 64 -10.130 14.317 -0.360 1.00 0.00 ATOM 513 C PHE 64 -9.768 13.842 -1.427 1.00 0.00 ATOM 514 N GLN 65 -10.488 13.915 -2.548 1.00 0.00 ATOM 515 CA GLN 65 -11.800 14.566 -2.640 1.00 0.00 ATOM 516 CB GLN 65 -12.435 14.303 -4.007 1.00 0.00 ATOM 517 CG GLN 65 -11.783 15.066 -5.150 1.00 0.00 ATOM 518 CD GLN 65 -12.365 14.700 -6.502 1.00 0.00 ATOM 519 OE1 GLN 65 -13.226 13.824 -6.601 1.00 0.00 ATOM 520 NE2 GLN 65 -11.896 15.370 -7.548 1.00 0.00 ATOM 521 O GLN 65 -13.555 14.636 -1.006 1.00 0.00 ATOM 522 C GLN 65 -12.667 13.975 -1.537 1.00 0.00 ATOM 523 N VAL 66 -12.413 12.724 -1.178 1.00 0.00 ATOM 524 CA VAL 66 -13.216 12.114 -0.136 1.00 0.00 ATOM 525 CB VAL 66 -13.571 10.654 -0.478 1.00 0.00 ATOM 526 CG1 VAL 66 -14.395 10.590 -1.755 1.00 0.00 ATOM 527 CG2 VAL 66 -12.305 9.833 -0.682 1.00 0.00 ATOM 528 O VAL 66 -12.976 11.509 2.122 1.00 0.00 ATOM 529 C VAL 66 -12.482 12.108 1.179 1.00 0.00 ATOM 530 N GLY 67 -11.304 12.768 1.274 1.00 0.00 ATOM 531 CA GLY 67 -10.609 12.773 2.581 1.00 0.00 ATOM 532 O GLY 67 -10.257 11.057 4.244 1.00 0.00 ATOM 533 C GLY 67 -10.277 11.339 3.040 1.00 0.00 ATOM 534 N LEU 68 -10.048 10.416 2.085 1.00 0.00 ATOM 535 CA LEU 68 -9.688 9.014 2.387 1.00 0.00 ATOM 536 CB LEU 68 -10.008 8.109 1.195 1.00 0.00 ATOM 537 CG LEU 68 -11.488 7.956 0.839 1.00 0.00 ATOM 538 CD1 LEU 68 -11.652 7.141 -0.435 1.00 0.00 ATOM 539 CD2 LEU 68 -12.240 7.250 1.956 1.00 0.00 ATOM 540 O LEU 68 -7.712 8.327 3.554 1.00 0.00 ATOM 541 C LEU 68 -8.164 9.008 2.681 1.00 0.00 ATOM 542 N LEU 69 -7.397 9.821 1.969 1.00 0.00 ATOM 543 CA LEU 69 -5.969 9.967 2.237 1.00 0.00 ATOM 544 CB LEU 69 -5.147 9.485 1.040 1.00 0.00 ATOM 545 CG LEU 69 -5.350 8.028 0.619 1.00 0.00 ATOM 546 CD1 LEU 69 -4.587 7.726 -0.660 1.00 0.00 ATOM 547 CD2 LEU 69 -4.855 7.083 1.703 1.00 0.00 ATOM 548 O LEU 69 -6.962 12.126 2.265 1.00 0.00 ATOM 549 C LEU 69 -5.924 11.449 2.455 1.00 0.00 ATOM 550 N PRO 70 -4.756 11.964 2.826 1.00 0.00 ATOM 551 CA PRO 70 -4.633 13.394 3.063 1.00 0.00 ATOM 552 CB PRO 70 -4.419 13.501 4.575 1.00 0.00 ATOM 553 CG PRO 70 -3.780 12.208 4.955 1.00 0.00 ATOM 554 CD PRO 70 -4.380 11.165 4.055 1.00 0.00 ATOM 555 O PRO 70 -3.388 15.203 2.112 1.00 0.00 ATOM 556 C PRO 70 -3.471 13.987 2.304 1.00 0.00 ATOM 557 N GLU 71 -2.563 13.122 1.867 1.00 0.00 ATOM 558 CA GLU 71 -1.409 13.576 1.096 1.00 0.00 ATOM 559 CB GLU 71 -0.169 13.662 1.988 1.00 0.00 ATOM 560 CG GLU 71 -0.286 14.671 3.119 1.00 0.00 ATOM 561 CD GLU 71 -0.214 16.105 2.629 1.00 0.00 ATOM 562 OE1 GLU 71 0.146 16.313 1.452 1.00 0.00 ATOM 563 OE2 GLU 71 -0.516 17.020 3.425 1.00 0.00 ATOM 564 O GLU 71 -0.975 11.390 0.301 1.00 0.00 ATOM 565 C GLU 71 -1.219 12.541 -0.000 1.00 0.00 ATOM 566 N ASP 72 -1.355 12.938 -1.256 1.00 0.00 ATOM 567 CA ASP 72 -1.148 12.001 -2.318 1.00 0.00 ATOM 568 CB ASP 72 -1.974 12.390 -3.545 1.00 0.00 ATOM 569 CG ASP 72 -1.576 13.740 -4.110 1.00 0.00 ATOM 570 OD1 ASP 72 -1.558 14.725 -3.343 1.00 0.00 ATOM 571 OD2 ASP 72 -1.280 13.811 -5.323 1.00 0.00 ATOM 572 O ASP 72 0.670 10.965 -3.426 1.00 0.00 ATOM 573 C ASP 72 0.301 11.921 -2.760 1.00 0.00 ATOM 574 N PRO 73 1.148 12.865 -2.370 1.00 0.00 ATOM 575 CA PRO 73 2.556 12.801 -2.823 1.00 0.00 ATOM 576 CB PRO 73 3.177 14.091 -2.282 1.00 0.00 ATOM 577 CG PRO 73 2.030 15.038 -2.165 1.00 0.00 ATOM 578 CD PRO 73 0.852 14.213 -1.730 1.00 0.00 ATOM 579 O PRO 73 3.901 10.792 -2.804 1.00 0.00 ATOM 580 C PRO 73 3.124 11.537 -2.198 1.00 0.00 ATOM 581 N PHE 74 2.645 11.236 -1.011 1.00 0.00 ATOM 582 CA PHE 74 3.053 9.992 -0.341 1.00 0.00 ATOM 583 CB PHE 74 2.474 9.931 1.074 1.00 0.00 ATOM 584 CG PHE 74 3.198 10.799 2.064 1.00 0.00 ATOM 585 CD1 PHE 74 2.679 12.027 2.437 1.00 0.00 ATOM 586 CD2 PHE 74 4.397 10.389 2.620 1.00 0.00 ATOM 587 CE1 PHE 74 3.345 12.826 3.348 1.00 0.00 ATOM 588 CE2 PHE 74 5.063 11.188 3.531 1.00 0.00 ATOM 589 CZ PHE 74 4.541 12.402 3.895 1.00 0.00 ATOM 590 O PHE 74 3.385 7.704 -1.155 1.00 0.00 ATOM 591 C PHE 74 2.604 8.674 -1.043 1.00 0.00 ATOM 592 N TRP 75 1.345 8.614 -1.481 1.00 0.00 ATOM 593 CA TRP 75 0.890 7.392 -2.163 1.00 0.00 ATOM 594 CB TRP 75 -0.624 7.435 -2.385 1.00 0.00 ATOM 595 CG TRP 75 -1.178 6.174 -2.972 1.00 0.00 ATOM 596 CD1 TRP 75 -1.716 6.018 -4.217 1.00 0.00 ATOM 597 CD2 TRP 75 -1.252 4.890 -2.340 1.00 0.00 ATOM 598 CE2 TRP 75 -1.845 4.005 -3.259 1.00 0.00 ATOM 599 CE3 TRP 75 -0.874 4.404 -1.084 1.00 0.00 ATOM 600 NE1 TRP 75 -2.120 4.717 -4.401 1.00 0.00 ATOM 601 CZ2 TRP 75 -2.068 2.661 -2.966 1.00 0.00 ATOM 602 CZ3 TRP 75 -1.097 3.071 -0.796 1.00 0.00 ATOM 603 CH2 TRP 75 -1.688 2.213 -1.729 1.00 0.00 ATOM 604 O TRP 75 1.905 6.212 -3.958 1.00 0.00 ATOM 605 C TRP 75 1.593 7.307 -3.490 1.00 0.00 ATOM 606 N LEU 76 1.923 8.466 -4.067 1.00 0.00 ATOM 607 CA LEU 76 2.637 8.448 -5.321 1.00 0.00 ATOM 608 CB LEU 76 2.809 9.869 -5.859 1.00 0.00 ATOM 609 CG LEU 76 1.538 10.568 -6.346 1.00 0.00 ATOM 610 CD1 LEU 76 1.821 12.026 -6.682 1.00 0.00 ATOM 611 CD2 LEU 76 0.995 9.889 -7.594 1.00 0.00 ATOM 612 O LEU 76 4.527 7.029 -5.857 1.00 0.00 ATOM 613 C LEU 76 4.009 7.818 -5.065 1.00 0.00 ATOM 614 N GLU 77 4.589 8.152 -3.926 1.00 0.00 ATOM 615 CA GLU 77 5.885 7.608 -3.570 1.00 0.00 ATOM 616 CB GLU 77 6.469 8.357 -2.370 1.00 0.00 ATOM 617 CG GLU 77 6.894 9.785 -2.677 1.00 0.00 ATOM 618 CD GLU 77 7.352 10.535 -1.441 1.00 0.00 ATOM 619 OE1 GLU 77 7.269 9.963 -0.334 1.00 0.00 ATOM 620 OE2 GLU 77 7.794 11.695 -1.580 1.00 0.00 ATOM 621 O GLU 77 6.599 5.312 -3.516 1.00 0.00 ATOM 622 C GLU 77 5.720 6.118 -3.207 1.00 0.00 ATOM 623 N MET 78 4.623 5.733 -2.548 1.00 0.00 ATOM 624 CA MET 78 4.424 4.288 -2.228 1.00 0.00 ATOM 625 CB MET 78 3.110 4.083 -1.470 1.00 0.00 ATOM 626 CG MET 78 3.123 4.624 -0.050 1.00 0.00 ATOM 627 SD MET 78 1.548 4.394 0.797 1.00 0.00 ATOM 628 CE MET 78 1.525 2.615 0.993 1.00 0.00 ATOM 629 O MET 78 4.821 2.279 -3.561 1.00 0.00 ATOM 630 C MET 78 4.369 3.408 -3.523 1.00 0.00 ATOM 631 N LEU 79 3.854 3.954 -4.605 1.00 0.00 ATOM 632 CA LEU 79 3.894 3.221 -5.846 1.00 0.00 ATOM 633 CB LEU 79 3.030 3.909 -6.904 1.00 0.00 ATOM 634 CG LEU 79 2.990 3.247 -8.282 1.00 0.00 ATOM 635 CD1 LEU 79 2.421 1.839 -8.186 1.00 0.00 ATOM 636 CD2 LEU 79 2.117 4.047 -9.238 1.00 0.00 ATOM 637 O LEU 79 5.784 2.071 -6.840 1.00 0.00 ATOM 638 C LEU 79 5.365 3.128 -6.397 1.00 0.00 ATOM 639 N GLU 80 6.117 4.247 -6.445 1.00 0.00 ATOM 640 CA GLU 80 7.519 4.179 -6.905 1.00 0.00 ATOM 641 CB GLU 80 8.211 5.531 -6.718 1.00 0.00 ATOM 642 CG GLU 80 9.645 5.569 -7.220 1.00 0.00 ATOM 643 CD GLU 80 10.276 6.939 -7.075 1.00 0.00 ATOM 644 OE1 GLU 80 9.584 7.866 -6.604 1.00 0.00 ATOM 645 OE2 GLU 80 11.464 7.088 -7.435 1.00 0.00 ATOM 646 O GLU 80 8.858 2.167 -6.537 1.00 0.00 ATOM 647 C GLU 80 8.217 3.078 -6.032 1.00 0.00 ATOM 648 N LEU 81 7.969 3.095 -4.750 1.00 0.00 ATOM 649 CA LEU 81 8.482 2.066 -3.862 1.00 0.00 ATOM 650 CB LEU 81 8.000 2.306 -2.429 1.00 0.00 ATOM 651 CG LEU 81 8.602 3.512 -1.706 1.00 0.00 ATOM 652 CD1 LEU 81 7.901 3.746 -0.376 1.00 0.00 ATOM 653 CD2 LEU 81 10.081 3.292 -1.432 1.00 0.00 ATOM 654 O LEU 81 8.719 -0.242 -4.717 1.00 0.00 ATOM 655 C LEU 81 7.936 0.706 -4.400 1.00 0.00 ATOM 656 N ARG 82 6.611 0.610 -4.551 1.00 0.00 ATOM 657 CA ARG 82 6.111 -0.665 -5.034 1.00 0.00 ATOM 658 CB ARG 82 4.608 -0.584 -5.304 1.00 0.00 ATOM 659 CG ARG 82 4.013 -1.853 -5.893 1.00 0.00 ATOM 660 CD ARG 82 4.052 -2.997 -4.894 1.00 0.00 ATOM 661 NE ARG 82 3.550 -4.244 -5.469 1.00 0.00 ATOM 662 CZ ARG 82 4.298 -5.100 -6.158 1.00 0.00 ATOM 663 NH1 ARG 82 3.755 -6.209 -6.644 1.00 0.00 ATOM 664 NH2 ARG 82 5.583 -4.847 -6.360 1.00 0.00 ATOM 665 O ARG 82 7.017 -2.379 -6.391 1.00 0.00 ATOM 666 C ARG 82 6.728 -1.173 -6.323 1.00 0.00 ATOM 667 N ASN 83 6.933 -0.284 -7.297 1.00 0.00 ATOM 668 CA ASN 83 7.544 -0.615 -8.604 1.00 0.00 ATOM 669 CB ASN 83 7.396 0.558 -9.576 1.00 0.00 ATOM 670 CG ASN 83 5.971 0.737 -10.060 1.00 0.00 ATOM 671 ND2 ASN 83 5.680 1.907 -10.615 1.00 0.00 ATOM 672 OD1 ASN 83 5.145 -0.166 -9.935 1.00 0.00 ATOM 673 O ASN 83 9.591 -1.149 -9.589 1.00 0.00 ATOM 674 C ASN 83 9.029 -0.935 -8.543 1.00 0.00 ATOM 675 N LEU 84 9.688 -0.906 -7.367 1.00 0.00 ATOM 676 CA LEU 84 11.097 -1.318 -7.330 1.00 0.00 ATOM 677 CB LEU 84 11.974 -0.182 -6.796 1.00 0.00 ATOM 678 CG LEU 84 11.993 1.104 -7.623 1.00 0.00 ATOM 679 CD1 LEU 84 12.758 2.199 -6.896 1.00 0.00 ATOM 680 CD2 LEU 84 12.662 0.870 -8.968 1.00 0.00 ATOM 681 O LEU 84 12.364 -3.062 -6.258 1.00 0.00 ATOM 682 C LEU 84 11.262 -2.537 -6.417 1.00 0.00 ATOM 683 N THR 85 10.174 -2.971 -5.774 1.00 0.00 ATOM 684 CA THR 85 10.302 -4.134 -4.910 1.00 0.00 ATOM 685 CB THR 85 8.968 -4.477 -4.223 1.00 0.00 ATOM 686 CG2 THR 85 8.488 -3.307 -3.377 1.00 0.00 ATOM 687 OG1 THR 85 7.975 -4.767 -5.216 1.00 0.00 ATOM 688 O THR 85 11.250 -6.299 -5.103 1.00 0.00 ATOM 689 C THR 85 10.740 -5.361 -5.710 1.00 0.00 ATOM 690 N ASN 86 10.549 -5.371 -7.042 1.00 0.00 ATOM 691 CA ASN 86 11.032 -6.513 -7.855 1.00 0.00 ATOM 692 CB ASN 86 10.498 -6.416 -9.285 1.00 0.00 ATOM 693 CG ASN 86 9.016 -6.727 -9.376 1.00 0.00 ATOM 694 ND2 ASN 86 8.390 -6.302 -10.468 1.00 0.00 ATOM 695 OD1 ASN 86 8.445 -7.342 -8.476 1.00 0.00 ATOM 696 O ASN 86 13.197 -7.455 -8.358 1.00 0.00 ATOM 697 C ASN 86 12.563 -6.494 -7.889 1.00 0.00 ATOM 698 N HIS 87 13.161 -5.409 -7.400 1.00 0.00 ATOM 699 CA HIS 87 14.648 -5.347 -7.354 1.00 0.00 ATOM 700 CB HIS 87 15.136 -3.934 -7.683 1.00 0.00 ATOM 701 CG HIS 87 14.801 -3.489 -9.072 1.00 0.00 ATOM 702 CD2 HIS 87 13.922 -2.486 -9.657 1.00 0.00 ATOM 703 ND1 HIS 87 15.368 -4.055 -10.194 1.00 0.00 ATOM 704 CE1 HIS 87 14.874 -3.449 -11.288 1.00 0.00 ATOM 705 NE2 HIS 87 14.006 -2.505 -10.974 1.00 0.00 ATOM 706 O HIS 87 16.362 -5.751 -5.723 1.00 0.00 ATOM 707 C HIS 87 15.161 -5.718 -5.974 1.00 0.00 ATOM 708 N THR 88 14.226 -6.032 -5.086 1.00 0.00 ATOM 709 CA THR 88 14.561 -6.359 -3.721 1.00 0.00 ATOM 710 CB THR 88 13.303 -6.674 -2.892 1.00 0.00 ATOM 711 CG2 THR 88 12.385 -5.463 -2.834 1.00 0.00 ATOM 712 OG1 THR 88 12.594 -7.765 -3.491 1.00 0.00 ATOM 713 O THR 88 15.860 -7.860 -2.286 1.00 0.00 ATOM 714 C THR 88 15.492 -7.586 -3.455 1.00 0.00 ATOM 715 N TYR 89 15.865 -8.320 -4.509 1.00 0.00 ATOM 716 CA TYR 89 16.781 -9.454 -4.355 1.00 0.00 ATOM 717 CB TYR 89 16.818 -10.290 -5.637 1.00 0.00 ATOM 718 CG TYR 89 15.550 -11.071 -5.896 1.00 0.00 ATOM 719 CD1 TYR 89 14.605 -10.612 -6.804 1.00 0.00 ATOM 720 CD2 TYR 89 15.301 -12.265 -5.231 1.00 0.00 ATOM 721 CE1 TYR 89 13.442 -11.320 -7.047 1.00 0.00 ATOM 722 CE2 TYR 89 14.145 -12.986 -5.460 1.00 0.00 ATOM 723 CZ TYR 89 13.213 -12.502 -6.379 1.00 0.00 ATOM 724 OH TYR 89 12.057 -13.209 -6.618 1.00 0.00 ATOM 725 O TYR 89 19.112 -9.649 -3.791 1.00 0.00 ATOM 726 C TYR 89 18.198 -8.913 -4.056 1.00 0.00 ATOM 727 N ASP 90 18.361 -7.610 -4.170 1.00 0.00 ATOM 728 CA ASP 90 19.592 -6.974 -3.831 1.00 0.00 ATOM 729 CB ASP 90 19.883 -5.821 -4.795 1.00 0.00 ATOM 730 CG ASP 90 21.202 -5.133 -4.499 1.00 0.00 ATOM 731 OD1 ASP 90 21.850 -5.498 -3.496 1.00 0.00 ATOM 732 OD2 ASP 90 21.587 -4.231 -5.272 1.00 0.00 ATOM 733 O ASP 90 18.470 -5.603 -2.155 1.00 0.00 ATOM 734 C ASP 90 19.339 -6.482 -2.390 1.00 0.00 ATOM 735 N GLU 91 20.083 -7.044 -1.429 1.00 0.00 ATOM 736 CA GLU 91 19.926 -6.726 0.004 1.00 0.00 ATOM 737 CB GLU 91 21.095 -7.294 0.810 1.00 0.00 ATOM 738 CG GLU 91 20.938 -7.151 2.315 1.00 0.00 ATOM 739 CD GLU 91 22.066 -7.811 3.085 1.00 0.00 ATOM 740 OE1 GLU 91 22.987 -8.353 2.439 1.00 0.00 ATOM 741 OE2 GLU 91 22.029 -7.785 4.332 1.00 0.00 ATOM 742 O GLU 91 19.120 -4.910 1.358 1.00 0.00 ATOM 743 C GLU 91 19.862 -5.263 0.434 1.00 0.00 ATOM 744 N ALA 92 20.611 -4.414 -0.256 1.00 0.00 ATOM 745 CA ALA 92 20.645 -2.989 0.035 1.00 0.00 ATOM 746 CB ALA 92 21.822 -2.332 -0.670 1.00 0.00 ATOM 747 O ALA 92 18.870 -1.426 0.226 1.00 0.00 ATOM 748 C ALA 92 19.376 -2.313 -0.432 1.00 0.00 ATOM 749 N LEU 93 18.890 -2.702 -1.601 1.00 0.00 ATOM 750 CA LEU 93 17.670 -2.096 -2.099 1.00 0.00 ATOM 751 CB LEU 93 17.396 -2.546 -3.536 1.00 0.00 ATOM 752 CG LEU 93 18.359 -2.025 -4.605 1.00 0.00 ATOM 753 CD1 LEU 93 18.082 -2.686 -5.946 1.00 0.00 ATOM 754 CD2 LEU 93 18.209 -0.522 -4.777 1.00 0.00 ATOM 755 O LEU 93 15.698 -1.746 -0.826 1.00 0.00 ATOM 756 C LEU 93 16.555 -2.542 -1.195 1.00 0.00 ATOM 757 N ALA 94 16.651 -3.792 -0.713 1.00 0.00 ATOM 758 CA ALA 94 15.687 -4.312 0.215 1.00 0.00 ATOM 759 CB ALA 94 15.970 -5.777 0.511 1.00 0.00 ATOM 760 O ALA 94 14.571 -3.507 2.213 1.00 0.00 ATOM 761 C ALA 94 15.653 -3.603 1.568 1.00 0.00 ATOM 762 N GLU 95 16.826 -3.183 2.063 1.00 0.00 ATOM 763 CA GLU 95 16.910 -2.484 3.380 1.00 0.00 ATOM 764 CB GLU 95 18.367 -2.352 3.825 1.00 0.00 ATOM 765 CG GLU 95 19.017 -3.667 4.222 1.00 0.00 ATOM 766 CD GLU 95 20.492 -3.516 4.539 1.00 0.00 ATOM 767 OE1 GLU 95 21.023 -2.397 4.378 1.00 0.00 ATOM 768 OE2 GLU 95 21.118 -4.517 4.948 1.00 0.00 ATOM 769 O GLU 95 15.571 -0.546 4.042 1.00 0.00 ATOM 770 C GLU 95 16.280 -1.086 3.186 1.00 0.00 ATOM 771 N ARG 96 16.582 -0.499 2.037 1.00 0.00 ATOM 772 CA ARG 96 16.099 0.840 1.749 1.00 0.00 ATOM 773 CB ARG 96 16.634 1.324 0.400 1.00 0.00 ATOM 774 CG ARG 96 18.122 1.634 0.396 1.00 0.00 ATOM 775 CD ARG 96 18.599 2.037 -0.989 1.00 0.00 ATOM 776 NE ARG 96 20.033 2.311 -1.016 1.00 0.00 ATOM 777 CZ ARG 96 20.716 2.612 -2.115 1.00 0.00 ATOM 778 NH1 ARG 96 22.020 2.847 -2.044 1.00 0.00 ATOM 779 NH2 ARG 96 20.095 2.679 -3.285 1.00 0.00 ATOM 780 O ARG 96 13.899 1.734 2.244 1.00 0.00 ATOM 781 C ARG 96 14.553 0.833 1.704 1.00 0.00 ATOM 782 N ILE 97 13.962 -0.196 1.108 1.00 0.00 ATOM 783 CA ILE 97 12.525 -0.229 1.040 1.00 0.00 ATOM 784 CB ILE 97 12.032 -1.304 0.055 1.00 0.00 ATOM 785 CG1 ILE 97 12.396 -0.921 -1.381 1.00 0.00 ATOM 786 CG2 ILE 97 10.521 -1.455 0.144 1.00 0.00 ATOM 787 CD1 ILE 97 12.185 -2.034 -2.384 1.00 0.00 ATOM 788 O ILE 97 10.924 0.004 2.841 1.00 0.00 ATOM 789 C ILE 97 11.957 -0.542 2.425 1.00 0.00 ATOM 790 N TYR 98 12.656 -1.365 3.179 1.00 0.00 ATOM 791 CA TYR 98 12.087 -1.746 4.469 1.00 0.00 ATOM 792 CB TYR 98 12.915 -2.861 5.111 1.00 0.00 ATOM 793 CG TYR 98 12.391 -3.316 6.455 1.00 0.00 ATOM 794 CD1 TYR 98 11.287 -4.153 6.542 1.00 0.00 ATOM 795 CD2 TYR 98 13.002 -2.905 7.632 1.00 0.00 ATOM 796 CE1 TYR 98 10.802 -4.575 7.765 1.00 0.00 ATOM 797 CE2 TYR 98 12.531 -3.316 8.864 1.00 0.00 ATOM 798 CZ TYR 98 11.421 -4.157 8.923 1.00 0.00 ATOM 799 OH TYR 98 10.939 -4.575 10.143 1.00 0.00 ATOM 800 O TYR 98 11.135 -0.365 6.185 1.00 0.00 ATOM 801 C TYR 98 12.061 -0.566 5.424 1.00 0.00 ATOM 802 N ALA 99 13.103 0.230 5.363 1.00 0.00 ATOM 803 CA ALA 99 13.208 1.400 6.199 1.00 0.00 ATOM 804 CB ALA 99 14.477 2.172 5.875 1.00 0.00 ATOM 805 O ALA 99 11.690 3.206 6.831 1.00 0.00 ATOM 806 C ALA 99 11.995 2.363 5.997 1.00 0.00 ATOM 807 N GLU 100 11.366 2.299 4.838 1.00 0.00 ATOM 808 CA GLU 100 10.265 3.190 4.542 1.00 0.00 ATOM 809 CB GLU 100 10.126 3.386 3.031 1.00 0.00 ATOM 810 CG GLU 100 11.351 3.996 2.369 1.00 0.00 ATOM 811 CD GLU 100 11.703 5.358 2.934 1.00 0.00 ATOM 812 OE1 GLU 100 10.804 6.223 3.000 1.00 0.00 ATOM 813 OE2 GLU 100 12.875 5.560 3.311 1.00 0.00 ATOM 814 O GLU 100 7.951 3.329 5.040 1.00 0.00 ATOM 815 C GLU 100 8.949 2.630 5.070 1.00 0.00 ATOM 816 N LEU 101 8.956 1.410 5.622 1.00 0.00 ATOM 817 CA LEU 101 7.709 0.791 6.074 1.00 0.00 ATOM 818 CB LEU 101 7.960 -0.647 6.532 1.00 0.00 ATOM 819 CG LEU 101 8.327 -1.652 5.437 1.00 0.00 ATOM 820 CD1 LEU 101 8.722 -2.989 6.047 1.00 0.00 ATOM 821 CD2 LEU 101 7.149 -1.885 4.504 1.00 0.00 ATOM 822 O LEU 101 5.722 1.420 7.205 1.00 0.00 ATOM 823 C LEU 101 6.962 1.420 7.231 1.00 0.00 ATOM 824 N PRO 102 7.697 1.935 8.225 1.00 0.00 ATOM 825 CA PRO 102 7.145 2.655 9.377 1.00 0.00 ATOM 826 CB PRO 102 8.378 3.203 10.098 1.00 0.00 ATOM 827 CG PRO 102 9.452 2.209 9.807 1.00 0.00 ATOM 828 CD PRO 102 9.274 1.811 8.368 1.00 0.00 ATOM 829 O PRO 102 5.105 3.927 9.459 1.00 0.00 ATOM 830 C PRO 102 6.199 3.802 8.928 1.00 0.00 ATOM 831 N LYS 103 6.649 4.633 7.976 1.00 0.00 ATOM 832 CA LYS 103 5.837 5.737 7.490 1.00 0.00 ATOM 833 CB LYS 103 6.648 6.617 6.536 1.00 0.00 ATOM 834 CG LYS 103 7.740 7.427 7.215 1.00 0.00 ATOM 835 CD LYS 103 8.499 8.279 6.212 1.00 0.00 ATOM 836 CE LYS 103 9.614 9.063 6.885 1.00 0.00 ATOM 837 NZ LYS 103 10.383 9.885 5.911 1.00 0.00 ATOM 838 O LYS 103 3.519 5.560 6.924 1.00 0.00 ATOM 839 C LYS 103 4.648 5.136 6.760 1.00 0.00 ATOM 840 N ALA 104 4.910 4.103 5.970 1.00 0.00 ATOM 841 CA ALA 104 3.827 3.492 5.254 1.00 0.00 ATOM 842 CB ALA 104 4.316 2.271 4.490 1.00 0.00 ATOM 843 O ALA 104 1.614 3.314 6.110 1.00 0.00 ATOM 844 C ALA 104 2.797 3.088 6.279 1.00 0.00 ATOM 845 N LEU 105 3.228 2.509 7.380 1.00 0.00 ATOM 846 CA LEU 105 2.213 2.149 8.326 1.00 0.00 ATOM 847 CB LEU 105 2.841 1.515 9.570 1.00 0.00 ATOM 848 CG LEU 105 3.462 0.129 9.384 1.00 0.00 ATOM 849 CD1 LEU 105 4.202 -0.300 10.642 1.00 0.00 ATOM 850 CD2 LEU 105 2.388 -0.906 9.088 1.00 0.00 ATOM 851 O LEU 105 0.177 3.178 8.959 1.00 0.00 ATOM 852 C LEU 105 1.375 3.316 8.815 1.00 0.00 ATOM 853 N GLU 106 1.971 4.480 9.048 1.00 0.00 ATOM 854 CA GLU 106 1.174 5.621 9.536 1.00 0.00 ATOM 855 CB GLU 106 2.070 6.841 9.761 1.00 0.00 ATOM 856 CG GLU 106 1.336 8.055 10.309 1.00 0.00 ATOM 857 CD GLU 106 2.261 9.233 10.550 1.00 0.00 ATOM 858 OE1 GLU 106 3.477 9.095 10.299 1.00 0.00 ATOM 859 OE2 GLU 106 1.769 10.294 10.988 1.00 0.00 ATOM 860 O GLU 106 -1.091 6.021 8.839 1.00 0.00 ATOM 861 C GLU 106 0.094 5.990 8.515 1.00 0.00 ATOM 862 N ARG 107 0.515 6.244 7.281 1.00 0.00 ATOM 863 CA ARG 107 -0.421 6.623 6.196 1.00 0.00 ATOM 864 CB ARG 107 0.340 6.852 4.889 1.00 0.00 ATOM 865 CG ARG 107 1.189 8.112 4.877 1.00 0.00 ATOM 866 CD ARG 107 1.914 8.277 3.550 1.00 0.00 ATOM 867 NE ARG 107 3.035 7.348 3.421 1.00 0.00 ATOM 868 CZ ARG 107 3.694 7.127 2.288 1.00 0.00 ATOM 869 NH1 ARG 107 4.700 6.263 2.265 1.00 0.00 ATOM 870 NH2 ARG 107 3.344 7.768 1.182 1.00 0.00 ATOM 871 O ARG 107 -2.661 5.954 5.703 1.00 0.00 ATOM 872 C ARG 107 -1.486 5.621 5.873 1.00 0.00 ATOM 873 N PHE 108 -1.044 4.382 5.725 1.00 0.00 ATOM 874 CA PHE 108 -1.919 3.276 5.379 1.00 0.00 ATOM 875 CB PHE 108 -1.115 1.982 5.233 1.00 0.00 ATOM 876 CG PHE 108 -1.952 0.785 4.883 1.00 0.00 ATOM 877 CD1 PHE 108 -2.377 0.577 3.582 1.00 0.00 ATOM 878 CD2 PHE 108 -2.314 -0.133 5.852 1.00 0.00 ATOM 879 CE1 PHE 108 -3.147 -0.524 3.259 1.00 0.00 ATOM 880 CE2 PHE 108 -3.083 -1.235 5.529 1.00 0.00 ATOM 881 CZ PHE 108 -3.499 -1.432 4.238 1.00 0.00 ATOM 882 O PHE 108 -4.098 2.884 6.258 1.00 0.00 ATOM 883 C PHE 108 -2.933 3.136 6.501 1.00 0.00 ATOM 884 N GLN 109 -2.482 3.256 7.745 1.00 0.00 ATOM 885 CA GLN 109 -3.425 3.211 8.861 1.00 0.00 ATOM 886 CB GLN 109 -2.676 3.228 10.195 1.00 0.00 ATOM 887 CG GLN 109 -1.906 1.951 10.490 1.00 0.00 ATOM 888 CD GLN 109 -1.128 2.027 11.789 1.00 0.00 ATOM 889 OE1 GLN 109 -1.127 3.056 12.464 1.00 0.00 ATOM 890 NE2 GLN 109 -0.462 0.933 12.143 1.00 0.00 ATOM 891 O GLN 109 -5.462 4.321 9.327 1.00 0.00 ATOM 892 C GLN 109 -4.370 4.418 8.828 1.00 0.00 ATOM 893 N GLU 110 -3.978 5.572 8.287 1.00 0.00 ATOM 894 CA GLU 110 -4.971 6.636 8.331 1.00 0.00 ATOM 895 CB GLU 110 -4.341 7.972 7.929 1.00 0.00 ATOM 896 CG GLU 110 -3.362 8.528 8.949 1.00 0.00 ATOM 897 CD GLU 110 -2.667 9.786 8.464 1.00 0.00 ATOM 898 OE1 GLU 110 -2.898 10.181 7.302 1.00 0.00 ATOM 899 OE2 GLU 110 -1.893 10.376 9.246 1.00 0.00 ATOM 900 O GLU 110 -7.206 6.405 7.698 1.00 0.00 ATOM 901 C GLU 110 -6.065 6.278 7.370 1.00 0.00 ATOM 902 N LEU 111 -5.692 5.830 6.179 1.00 0.00 ATOM 903 CA LEU 111 -6.643 5.449 5.162 1.00 0.00 ATOM 904 CB LEU 111 -5.928 4.787 3.981 1.00 0.00 ATOM 905 CG LEU 111 -6.816 4.321 2.826 1.00 0.00 ATOM 906 CD1 LEU 111 -7.523 5.503 2.180 1.00 0.00 ATOM 907 CD2 LEU 111 -5.987 3.621 1.760 1.00 0.00 ATOM 908 O LEU 111 -8.849 4.628 5.556 1.00 0.00 ATOM 909 C LEU 111 -7.649 4.472 5.716 1.00 0.00 ATOM 910 N LEU 112 -7.147 3.431 6.348 1.00 0.00 ATOM 911 CA LEU 112 -8.009 2.414 6.915 1.00 0.00 ATOM 912 CB LEU 112 -7.178 1.341 7.625 1.00 0.00 ATOM 913 CG LEU 112 -6.319 0.448 6.727 1.00 0.00 ATOM 914 CD1 LEU 112 -5.426 -0.455 7.565 1.00 0.00 ATOM 915 CD2 LEU 112 -7.196 -0.433 5.849 1.00 0.00 ATOM 916 O LEU 112 -10.032 2.539 8.126 1.00 0.00 ATOM 917 C LEU 112 -8.953 3.048 7.921 1.00 0.00 ATOM 918 N ARG 113 -8.529 4.135 8.574 1.00 0.00 ATOM 919 CA ARG 113 -9.366 4.856 9.546 1.00 0.00 ATOM 920 CB ARG 113 -8.561 5.963 10.228 1.00 0.00 ATOM 921 CG ARG 113 -9.344 6.750 11.268 1.00 0.00 ATOM 922 CD ARG 113 -8.525 7.906 11.818 1.00 0.00 ATOM 923 NE ARG 113 -8.246 8.914 10.796 1.00 0.00 ATOM 924 CZ ARG 113 -9.119 9.833 10.397 1.00 0.00 ATOM 925 NH1 ARG 113 -8.778 10.709 9.463 1.00 0.00 ATOM 926 NH2 ARG 113 -10.331 9.874 10.935 1.00 0.00 ATOM 927 O ARG 113 -11.745 5.277 9.189 1.00 0.00 ATOM 928 C ARG 113 -10.578 5.493 8.826 1.00 0.00 ATOM 929 N ARG 114 -10.295 6.299 7.808 1.00 0.00 ATOM 930 CA ARG 114 -11.365 6.897 7.055 1.00 0.00 ATOM 931 CB ARG 114 -10.805 7.715 5.888 1.00 0.00 ATOM 932 CG ARG 114 -11.869 8.375 5.027 1.00 0.00 ATOM 933 CD ARG 114 -12.671 9.391 5.823 1.00 0.00 ATOM 934 NE ARG 114 -13.661 10.077 4.995 1.00 0.00 ATOM 935 CZ ARG 114 -14.619 10.865 5.474 1.00 0.00 ATOM 936 NH1 ARG 114 -15.475 11.446 4.647 1.00 0.00 ATOM 937 NH2 ARG 114 -14.716 11.070 6.782 1.00 0.00 ATOM 938 O ARG 114 -13.514 5.989 6.555 1.00 0.00 ATOM 939 C ARG 114 -12.302 5.836 6.481 1.00 0.00 ATOM 940 N LEU 115 -11.760 4.758 5.919 1.00 0.00 ATOM 941 CA LEU 115 -12.620 3.732 5.333 1.00 0.00 ATOM 942 CB LEU 115 -11.780 2.684 4.601 1.00 0.00 ATOM 943 CG LEU 115 -11.031 3.163 3.356 1.00 0.00 ATOM 944 CD1 LEU 115 -10.148 2.058 2.801 1.00 0.00 ATOM 945 CD2 LEU 115 -12.008 3.583 2.270 1.00 0.00 ATOM 946 O LEU 115 -14.468 2.468 6.026 1.00 0.00 ATOM 947 C LEU 115 -13.426 3.023 6.361 1.00 0.00 ATOM 951 N PRO 118 -12.950 3.035 7.613 1.00 0.00 ATOM 952 CA PRO 118 -13.654 2.336 8.698 1.00 0.00 ATOM 953 CB PRO 118 -12.769 2.570 9.924 1.00 0.00 ATOM 954 CG PRO 118 -12.174 3.920 9.704 1.00 0.00 ATOM 955 CD PRO 118 -11.835 3.993 8.241 1.00 0.00 ATOM 956 O PRO 118 -16.043 2.297 8.988 1.00 0.00 ATOM 957 C PRO 118 -15.037 2.986 8.820 1.00 0.00 TER END