PFRMAT TS TARGET T0212 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 cheating a bit---we liked the structure of METHOD robetta_model2 from the Robetta server, and tried polishing it up with METHOD undertaker to make try23-opt2. METHOD METHOD This model has has the same backbone as model 5, but with sidechains METHOD repacked by Rosetta. It was chosen on the basis of the Rosetta energy METHOD function, excluding a couple of obviously bad models. METHOD METHOD REMARK 6 REMARK 6 T0212 model 5 Mon Jul 26 21:54:44 2004 MODEL 5 PARENT 1hdk_A 1lcl 1h6h_A 1plz_A 1a78_A REMARK 7 REMARK 7 ALLPARENTS 1hdk_A 1lcl 1h6h_A 1plz_A 1a78_A 1who 1h9s_A REMARK 7 ALLPARENTS 1i9g_A 1zxq 1ifr_A 4ubp_B 1bkz_A 1ryn_A 1rym_A REMARK 7 ALLPARENTS 1dsl 1gam_A 1gvm_A 1o91_A 22gs_A 1vcb_C 2ljr_A REMARK 7 ALLPARENTS 17gs_A 1poq_A 1c28_A 1nqj_A 1bmv_2 1umh_A 1nlq_A REMARK 7 ALLPARENTS 1gr3_A 1wkt ATOM 1 N MET 1 16.943 -15.329 -9.280 1.00 0.00 ATOM 2 CA MET 1 17.175 -16.695 -8.826 1.00 0.00 ATOM 3 CB MET 1 16.708 -17.690 -9.886 1.00 0.00 ATOM 4 CG MET 1 15.196 -17.834 -9.992 1.00 0.00 ATOM 5 SD MET 1 14.689 -18.814 -11.418 1.00 0.00 ATOM 6 CE MET 1 15.038 -17.674 -12.754 1.00 0.00 ATOM 7 O MET 1 19.464 -16.036 -8.742 1.00 0.00 ATOM 8 C MET 1 18.647 -16.925 -8.499 1.00 0.00 ATOM 9 N SER 2 18.920 -17.969 -7.723 1.00 0.00 ATOM 10 CA SER 2 20.260 -18.204 -7.197 1.00 0.00 ATOM 11 CB SER 2 20.493 -19.690 -7.007 1.00 0.00 ATOM 12 OG SER 2 21.791 -19.966 -6.556 1.00 0.00 ATOM 13 O SER 2 21.435 -17.935 -9.263 1.00 0.00 ATOM 14 C SER 2 21.369 -17.636 -8.072 1.00 0.00 ATOM 15 N ALA 3 22.238 -16.783 -7.402 1.00 0.00 ATOM 16 CA ALA 3 23.342 -16.170 -8.143 1.00 0.00 ATOM 17 CB ALA 3 23.925 -17.044 -9.243 1.00 0.00 ATOM 18 O ALA 3 23.082 -13.784 -8.161 1.00 0.00 ATOM 19 C ALA 3 22.835 -14.853 -8.720 1.00 0.00 ATOM 20 N LEU 4 22.113 -14.937 -9.832 1.00 0.00 ATOM 21 CA LEU 4 21.570 -13.752 -10.485 1.00 0.00 ATOM 22 CB LEU 4 21.169 -14.080 -11.929 1.00 0.00 ATOM 23 CG LEU 4 22.310 -14.027 -12.952 1.00 0.00 ATOM 24 CD1 LEU 4 23.398 -15.023 -12.573 1.00 0.00 ATOM 25 CD2 LEU 4 21.765 -14.326 -14.339 1.00 0.00 ATOM 26 O LEU 4 19.631 -12.344 -10.372 1.00 0.00 ATOM 27 C LEU 4 20.376 -13.140 -9.776 1.00 0.00 ATOM 28 N ASP 5 20.208 -13.514 -8.439 1.00 0.00 ATOM 29 CA ASP 5 19.100 -12.998 -7.639 1.00 0.00 ATOM 30 CB ASP 5 19.332 -13.285 -6.153 1.00 0.00 ATOM 31 CG ASP 5 19.278 -14.761 -5.782 1.00 0.00 ATOM 32 OD1 ASP 5 18.358 -15.424 -6.199 1.00 0.00 ATOM 33 OD2 ASP 5 20.230 -15.247 -5.221 1.00 0.00 ATOM 34 O ASP 5 17.701 -11.115 -7.543 1.00 0.00 ATOM 35 C ASP 5 18.842 -11.538 -7.791 1.00 0.00 ATOM 36 N ASN 6 19.821 -10.783 -8.154 1.00 0.00 ATOM 37 CA ASN 6 19.726 -9.338 -8.326 1.00 0.00 ATOM 38 CB ASN 6 20.572 -8.601 -7.304 1.00 0.00 ATOM 39 CG ASN 6 22.045 -8.877 -7.426 1.00 0.00 ATOM 40 ND2 ASN 6 22.812 -8.235 -6.582 1.00 0.00 ATOM 41 OD1 ASN 6 22.476 -9.717 -8.224 1.00 0.00 ATOM 42 O ASN 6 20.660 -7.835 -9.949 1.00 0.00 ATOM 43 C ASN 6 20.124 -8.923 -9.738 1.00 0.00 ATOM 44 N SER 7 19.869 -9.802 -10.702 1.00 0.00 ATOM 45 CA SER 7 20.164 -9.514 -12.100 1.00 0.00 ATOM 46 CB SER 7 21.127 -10.546 -12.653 1.00 0.00 ATOM 47 OG SER 7 22.326 -10.590 -11.929 1.00 0.00 ATOM 48 O SER 7 18.815 -10.086 -14.002 1.00 0.00 ATOM 49 C SER 7 18.888 -9.475 -12.936 1.00 0.00 ATOM 50 N ILE 8 17.887 -8.753 -12.445 1.00 0.00 ATOM 51 CA ILE 8 16.590 -8.692 -13.108 1.00 0.00 ATOM 52 CB ILE 8 15.538 -9.540 -12.370 1.00 0.00 ATOM 53 CG1 ILE 8 15.263 -8.958 -10.981 1.00 0.00 ATOM 54 CG2 ILE 8 15.999 -10.985 -12.264 1.00 0.00 ATOM 55 CD1 ILE 8 16.392 -9.166 -9.997 1.00 0.00 ATOM 56 O ILE 8 16.395 -6.418 -12.361 1.00 0.00 ATOM 57 C ILE 8 16.090 -7.254 -13.211 1.00 0.00 ATOM 58 N ARG 9 15.309 -6.978 -14.251 1.00 0.00 ATOM 59 CA ARG 9 14.688 -5.670 -14.416 1.00 0.00 ATOM 60 CB ARG 9 15.238 -4.920 -15.620 1.00 0.00 ATOM 61 CG ARG 9 14.716 -3.502 -15.784 1.00 0.00 ATOM 62 CD ARG 9 15.306 -2.760 -16.927 1.00 0.00 ATOM 63 NE ARG 9 14.871 -3.221 -18.235 1.00 0.00 ATOM 64 CZ ARG 9 15.391 -2.805 -19.406 1.00 0.00 ATOM 65 NH1 ARG 9 16.339 -1.894 -19.440 1.00 0.00 ATOM 66 NH2 ARG 9 14.907 -3.320 -20.523 1.00 0.00 ATOM 67 O ARG 9 12.633 -6.520 -15.306 1.00 0.00 ATOM 68 C ARG 9 13.175 -5.794 -14.476 1.00 0.00 ATOM 69 N VAL 10 12.448 -5.021 -13.652 1.00 0.00 ATOM 70 CA VAL 10 11.014 -5.037 -13.660 1.00 0.00 ATOM 71 CB VAL 10 10.443 -5.233 -12.242 1.00 0.00 ATOM 72 CG1 VAL 10 11.113 -4.282 -11.262 1.00 0.00 ATOM 73 CG2 VAL 10 8.936 -5.025 -12.241 1.00 0.00 ATOM 74 O VAL 10 11.022 -2.661 -13.868 1.00 0.00 ATOM 75 C VAL 10 10.548 -3.707 -14.266 1.00 0.00 ATOM 76 N GLU 11 9.553 -3.925 -15.216 1.00 0.00 ATOM 77 CA GLU 11 8.959 -2.721 -15.799 1.00 0.00 ATOM 78 CB GLU 11 9.390 -2.564 -17.259 1.00 0.00 ATOM 79 CG GLU 11 10.883 -2.341 -17.453 1.00 0.00 ATOM 80 CD GLU 11 11.227 -2.181 -18.908 1.00 0.00 ATOM 81 OE1 GLU 11 10.339 -2.271 -19.723 1.00 0.00 ATOM 82 OE2 GLU 11 12.354 -1.856 -19.200 1.00 0.00 ATOM 83 O GLU 11 6.812 -3.792 -15.830 1.00 0.00 ATOM 84 C GLU 11 7.437 -2.740 -15.710 1.00 0.00 ATOM 85 N VAL 12 6.848 -1.569 -15.497 1.00 0.00 ATOM 86 CA VAL 12 5.398 -1.448 -15.392 1.00 0.00 ATOM 87 CB VAL 12 4.992 -0.203 -14.581 1.00 0.00 ATOM 88 CG1 VAL 12 5.468 1.064 -15.275 1.00 0.00 ATOM 89 CG2 VAL 12 3.485 -0.164 -14.382 1.00 0.00 ATOM 90 O VAL 12 5.114 -0.615 -17.618 1.00 0.00 ATOM 91 C VAL 12 4.702 -1.375 -16.741 1.00 0.00 ATOM 92 N LYS 13 3.674 -2.203 -16.925 1.00 0.00 ATOM 93 CA LYS 13 2.951 -2.248 -18.191 1.00 0.00 ATOM 94 CB LYS 13 3.379 -3.432 -19.058 1.00 0.00 ATOM 95 CG LYS 13 4.816 -3.359 -19.558 1.00 0.00 ATOM 96 CD LYS 13 5.163 -4.561 -20.424 1.00 0.00 ATOM 97 CE LYS 13 6.596 -4.485 -20.929 1.00 0.00 ATOM 98 NZ LYS 13 6.956 -5.667 -21.759 1.00 0.00 ATOM 99 O LYS 13 1.012 -2.832 -16.901 1.00 0.00 ATOM 100 C LYS 13 1.450 -2.309 -17.925 1.00 0.00 ATOM 101 N THR 14 0.668 -1.765 -18.852 1.00 0.00 ATOM 102 CA THR 14 -0.786 -1.812 -18.751 1.00 0.00 ATOM 103 CB THR 14 -1.314 -0.802 -17.715 1.00 0.00 ATOM 104 CG2 THR 14 -1.006 0.622 -18.154 1.00 0.00 ATOM 105 OG1 THR 14 -2.731 -0.958 -17.571 1.00 0.00 ATOM 106 O THR 14 -0.862 -0.865 -20.955 1.00 0.00 ATOM 107 C THR 14 -1.442 -1.532 -20.099 1.00 0.00 ATOM 108 N GLU 15 -2.653 -2.047 -20.279 1.00 0.00 ATOM 109 CA GLU 15 -3.447 -1.740 -21.464 1.00 0.00 ATOM 110 CB GLU 15 -4.620 -2.715 -21.590 1.00 0.00 ATOM 111 CG GLU 15 -4.217 -4.141 -21.942 1.00 0.00 ATOM 112 CD GLU 15 -5.405 -5.062 -21.934 1.00 0.00 ATOM 113 OE1 GLU 15 -6.477 -4.616 -21.602 1.00 0.00 ATOM 114 OE2 GLU 15 -5.266 -6.182 -22.366 1.00 0.00 ATOM 115 O GLU 15 -3.943 0.398 -22.438 1.00 0.00 ATOM 116 C GLU 15 -3.962 -0.305 -21.427 1.00 0.00 ATOM 117 N TYR 16 -4.421 0.124 -20.257 1.00 0.00 ATOM 118 CA TYR 16 -5.077 1.419 -20.117 1.00 0.00 ATOM 119 CB TYR 16 -6.448 1.258 -19.459 1.00 0.00 ATOM 120 CG TYR 16 -7.449 0.503 -20.306 1.00 0.00 ATOM 121 CD1 TYR 16 -7.684 -0.848 -20.098 1.00 0.00 ATOM 122 CD2 TYR 16 -8.160 1.147 -21.309 1.00 0.00 ATOM 123 CE1 TYR 16 -8.597 -1.541 -20.870 1.00 0.00 ATOM 124 CE2 TYR 16 -9.075 0.464 -22.086 1.00 0.00 ATOM 125 CZ TYR 16 -9.291 -0.881 -21.862 1.00 0.00 ATOM 126 OH TYR 16 -10.204 -1.565 -22.632 1.00 0.00 ATOM 127 O TYR 16 -3.776 2.068 -18.206 1.00 0.00 ATOM 128 C TYR 16 -4.219 2.387 -19.310 1.00 0.00 ATOM 129 N ILE 17 -3.989 3.573 -19.866 1.00 0.00 ATOM 130 CA ILE 17 -3.115 4.556 -19.238 1.00 0.00 ATOM 131 CB ILE 17 -1.972 4.979 -20.181 1.00 0.00 ATOM 132 CG1 ILE 17 -2.539 5.562 -21.479 1.00 0.00 ATOM 133 CG2 ILE 17 -1.062 3.798 -20.476 1.00 0.00 ATOM 134 CD1 ILE 17 -1.497 6.202 -22.366 1.00 0.00 ATOM 135 O ILE 17 -5.061 5.958 -19.165 1.00 0.00 ATOM 136 C ILE 17 -3.894 5.795 -18.811 1.00 0.00 ATOM 137 N GLU 18 -3.242 6.665 -18.047 1.00 0.00 ATOM 138 CA GLU 18 -3.921 7.786 -17.412 1.00 0.00 ATOM 139 CB GLU 18 -2.932 8.615 -16.589 1.00 0.00 ATOM 140 CG GLU 18 -2.441 7.931 -15.321 1.00 0.00 ATOM 141 CD GLU 18 -1.401 8.760 -14.621 1.00 0.00 ATOM 142 OE1 GLU 18 -1.034 9.785 -15.144 1.00 0.00 ATOM 143 OE2 GLU 18 -1.055 8.430 -13.511 1.00 0.00 ATOM 144 O GLU 18 -5.650 9.182 -18.267 1.00 0.00 ATOM 145 C GLU 18 -4.583 8.615 -18.508 1.00 0.00 ATOM 146 N GLN 19 -3.928 8.689 -19.732 1.00 0.00 ATOM 147 CA GLN 19 -4.447 9.463 -20.856 1.00 0.00 ATOM 148 CB GLN 19 -3.467 9.422 -22.032 1.00 0.00 ATOM 149 CG GLN 19 -2.182 10.198 -21.798 1.00 0.00 ATOM 150 CD GLN 19 -1.223 10.095 -22.969 1.00 0.00 ATOM 151 OE1 GLN 19 -1.517 9.445 -23.976 1.00 0.00 ATOM 152 NE2 GLN 19 -0.066 10.736 -22.842 1.00 0.00 ATOM 153 O GLN 19 -6.522 9.658 -22.049 1.00 0.00 ATOM 154 C GLN 19 -5.809 8.963 -21.325 1.00 0.00 ATOM 155 N GLN 20 -6.165 7.753 -20.906 1.00 0.00 ATOM 156 CA GLN 20 -7.370 7.096 -21.399 1.00 0.00 ATOM 157 CB GLN 20 -7.432 5.633 -21.055 1.00 0.00 ATOM 158 CG GLN 20 -6.536 4.744 -21.933 1.00 0.00 ATOM 159 CD GLN 20 -6.815 4.878 -23.422 1.00 0.00 ATOM 160 OE1 GLN 20 -7.929 4.646 -23.877 1.00 0.00 ATOM 161 NE2 GLN 20 -5.820 5.314 -24.175 1.00 0.00 ATOM 162 O GLN 20 -9.535 8.106 -21.632 1.00 0.00 ATOM 163 C GLN 20 -8.626 7.779 -20.869 1.00 0.00 ATOM 164 N SER 21 -8.667 7.996 -19.559 1.00 0.00 ATOM 165 CA SER 21 -9.806 8.653 -18.927 1.00 0.00 ATOM 166 CB SER 21 -11.022 7.747 -18.974 1.00 0.00 ATOM 167 OG SER 21 -12.120 8.307 -18.306 1.00 0.00 ATOM 168 O SER 21 -8.622 8.448 -16.854 1.00 0.00 ATOM 169 C SER 21 -9.499 9.044 -17.490 1.00 0.00 ATOM 170 N SER 22 -10.274 10.026 -16.860 1.00 0.00 ATOM 171 CA SER 22 -10.101 10.368 -15.455 1.00 0.00 ATOM 172 CB SER 22 -10.941 11.582 -15.107 1.00 0.00 ATOM 173 OG SER 22 -10.867 11.898 -13.744 1.00 0.00 ATOM 174 O SER 22 -11.437 8.441 -14.938 1.00 0.00 ATOM 175 C SER 22 -10.482 9.151 -14.620 1.00 0.00 ATOM 176 N PRO 23 -9.738 8.923 -13.542 1.00 0.00 ATOM 177 CA PRO 23 -10.009 7.804 -12.648 1.00 0.00 ATOM 178 CB PRO 23 -8.767 7.738 -11.744 1.00 0.00 ATOM 179 CG PRO 23 -8.231 9.143 -11.717 1.00 0.00 ATOM 180 CD PRO 23 -8.477 9.603 -13.217 1.00 0.00 ATOM 181 O PRO 23 -11.763 7.139 -11.149 1.00 0.00 ATOM 182 C PRO 23 -11.289 8.033 -11.850 1.00 0.00 ATOM 183 N GLU 24 -11.869 9.292 -11.993 1.00 0.00 ATOM 184 CA GLU 24 -13.129 9.609 -11.333 1.00 0.00 ATOM 185 CB GLU 24 -13.408 11.112 -11.406 1.00 0.00 ATOM 186 CG GLU 24 -12.486 11.966 -10.547 1.00 0.00 ATOM 187 CD GLU 24 -12.749 13.431 -10.753 1.00 0.00 ATOM 188 OE1 GLU 24 -13.568 13.758 -11.578 1.00 0.00 ATOM 189 OE2 GLU 24 -12.217 14.220 -10.008 1.00 0.00 ATOM 190 O GLU 24 -15.221 8.435 -11.255 1.00 0.00 ATOM 191 C GLU 24 -14.286 8.831 -11.950 1.00 0.00 ATOM 192 N ASP 25 -14.215 8.615 -13.260 1.00 0.00 ATOM 193 CA ASP 25 -15.288 7.943 -13.985 1.00 0.00 ATOM 194 CB ASP 25 -15.929 8.895 -14.997 1.00 0.00 ATOM 195 CG ASP 25 -14.982 9.389 -16.083 1.00 0.00 ATOM 196 OD1 ASP 25 -13.837 9.006 -16.064 1.00 0.00 ATOM 197 OD2 ASP 25 -15.445 10.015 -17.007 1.00 0.00 ATOM 198 O ASP 25 -15.513 6.043 -15.434 1.00 0.00 ATOM 199 C ASP 25 -14.777 6.693 -14.692 1.00 0.00 ATOM 200 N GLU 26 -13.512 6.361 -14.456 1.00 0.00 ATOM 201 CA GLU 26 -12.873 5.241 -15.138 1.00 0.00 ATOM 202 CB GLU 26 -11.791 5.744 -16.096 1.00 0.00 ATOM 203 CG GLU 26 -11.107 4.648 -16.902 1.00 0.00 ATOM 204 CD GLU 26 -12.098 3.880 -17.731 1.00 0.00 ATOM 205 OE1 GLU 26 -12.784 4.487 -18.517 1.00 0.00 ATOM 206 OE2 GLU 26 -12.091 2.673 -17.660 1.00 0.00 ATOM 207 O GLU 26 -11.681 4.660 -13.135 1.00 0.00 ATOM 208 C GLU 26 -12.273 4.258 -14.137 1.00 0.00 ATOM 209 N LYS 27 -12.428 2.968 -14.419 1.00 0.00 ATOM 210 CA LYS 27 -11.733 1.931 -13.665 1.00 0.00 ATOM 211 CB LYS 27 -12.513 0.616 -13.719 1.00 0.00 ATOM 212 CG LYS 27 -13.848 0.646 -12.988 1.00 0.00 ATOM 213 CD LYS 27 -14.565 -0.692 -13.088 1.00 0.00 ATOM 214 CE LYS 27 -15.913 -0.654 -12.384 1.00 0.00 ATOM 215 NZ LYS 27 -16.629 -1.954 -12.482 1.00 0.00 ATOM 216 O LYS 27 -10.104 1.592 -15.394 1.00 0.00 ATOM 217 C LYS 27 -10.317 1.722 -14.188 1.00 0.00 ATOM 218 N TYR 28 -9.352 1.692 -13.275 1.00 0.00 ATOM 219 CA TYR 28 -7.948 1.567 -13.647 1.00 0.00 ATOM 220 CB TYR 28 -7.184 2.845 -13.292 1.00 0.00 ATOM 221 CG TYR 28 -7.381 3.972 -14.280 1.00 0.00 ATOM 222 CD1 TYR 28 -7.765 3.714 -15.588 1.00 0.00 ATOM 223 CD2 TYR 28 -7.183 5.292 -13.902 1.00 0.00 ATOM 224 CE1 TYR 28 -7.947 4.740 -16.495 1.00 0.00 ATOM 225 CE2 TYR 28 -7.361 6.325 -14.801 1.00 0.00 ATOM 226 CZ TYR 28 -7.744 6.046 -16.097 1.00 0.00 ATOM 227 OH TYR 28 -7.924 7.072 -16.995 1.00 0.00 ATOM 228 O TYR 28 -7.635 0.028 -11.832 1.00 0.00 ATOM 229 C TYR 28 -7.301 0.366 -12.968 1.00 0.00 ATOM 230 N LEU 29 -6.374 -0.277 -13.671 1.00 0.00 ATOM 231 CA LEU 29 -5.580 -1.353 -13.089 1.00 0.00 ATOM 232 CB LEU 29 -6.101 -2.714 -13.567 1.00 0.00 ATOM 233 CG LEU 29 -7.406 -3.182 -12.911 1.00 0.00 ATOM 234 CD1 LEU 29 -8.595 -2.497 -13.570 1.00 0.00 ATOM 235 CD2 LEU 29 -7.520 -4.694 -13.027 1.00 0.00 ATOM 236 O LEU 29 -3.786 -1.021 -14.650 1.00 0.00 ATOM 237 C LEU 29 -4.114 -1.140 -13.473 1.00 0.00 ATOM 238 N PHE 30 -3.246 -1.106 -12.478 1.00 0.00 ATOM 239 CA PHE 30 -1.816 -0.948 -12.718 1.00 0.00 ATOM 240 CB PHE 30 -1.257 0.200 -11.877 1.00 0.00 ATOM 241 CG PHE 30 -1.613 1.564 -12.398 1.00 0.00 ATOM 242 CD1 PHE 30 -2.881 2.088 -12.199 1.00 0.00 ATOM 243 CD2 PHE 30 -0.682 2.322 -13.090 1.00 0.00 ATOM 244 CE1 PHE 30 -3.210 3.343 -12.679 1.00 0.00 ATOM 245 CE2 PHE 30 -1.007 3.577 -13.570 1.00 0.00 ATOM 246 CZ PHE 30 -2.274 4.086 -13.364 1.00 0.00 ATOM 247 O PHE 30 -1.386 -2.890 -11.375 1.00 0.00 ATOM 248 C PHE 30 -1.114 -2.264 -12.399 1.00 0.00 ATOM 249 N SER 31 -0.231 -2.690 -13.296 1.00 0.00 ATOM 250 CA SER 31 0.439 -3.978 -13.160 1.00 0.00 ATOM 251 CB SER 31 -0.496 -4.932 -13.908 1.00 0.00 ATOM 252 OG SER 31 -0.575 -4.596 -15.281 1.00 0.00 ATOM 253 O SER 31 2.106 -3.038 -14.600 1.00 0.00 ATOM 254 C SER 31 1.841 -3.869 -13.732 1.00 0.00 ATOM 255 N TYR 32 2.755 -4.751 -13.247 1.00 0.00 ATOM 256 CA TYR 32 4.120 -4.740 -13.741 1.00 0.00 ATOM 257 CB TYR 32 5.033 -3.984 -12.772 1.00 0.00 ATOM 258 CG TYR 32 4.904 -4.430 -11.333 1.00 0.00 ATOM 259 CD1 TYR 32 5.577 -5.551 -10.870 1.00 0.00 ATOM 260 CD2 TYR 32 4.108 -3.727 -10.440 1.00 0.00 ATOM 261 CE1 TYR 32 5.462 -5.962 -9.556 1.00 0.00 ATOM 262 CE2 TYR 32 3.986 -4.128 -9.125 1.00 0.00 ATOM 263 CZ TYR 32 4.664 -5.247 -8.686 1.00 0.00 ATOM 264 OH TYR 32 4.546 -5.651 -7.376 1.00 0.00 ATOM 265 O TYR 32 4.213 -7.063 -13.141 1.00 0.00 ATOM 266 C TYR 32 4.571 -6.186 -13.927 1.00 0.00 ATOM 267 N THR 33 5.356 -6.426 -14.971 1.00 0.00 ATOM 268 CA THR 33 6.004 -7.718 -15.162 1.00 0.00 ATOM 269 CB THR 33 6.141 -8.066 -16.657 1.00 0.00 ATOM 270 CG2 THR 33 6.837 -9.407 -16.830 1.00 0.00 ATOM 271 OG1 THR 33 4.840 -8.125 -17.257 1.00 0.00 ATOM 272 O THR 33 8.300 -7.052 -14.963 1.00 0.00 ATOM 273 C THR 33 7.385 -7.743 -14.516 1.00 0.00 ATOM 274 N ILE 34 7.537 -8.571 -13.488 1.00 0.00 ATOM 275 CA ILE 34 8.831 -8.765 -12.846 1.00 0.00 ATOM 276 CB ILE 34 8.686 -8.952 -11.325 1.00 0.00 ATOM 277 CG1 ILE 34 10.047 -9.250 -10.691 1.00 0.00 ATOM 278 CG2 ILE 34 7.697 -10.067 -11.019 1.00 0.00 ATOM 279 CD1 ILE 34 11.091 -8.191 -10.962 1.00 0.00 ATOM 280 O ILE 34 8.851 -11.065 -13.421 1.00 0.00 ATOM 281 C ILE 34 9.421 -9.982 -13.528 1.00 0.00 ATOM 282 N THR 35 10.548 -9.788 -14.233 1.00 0.00 ATOM 283 CA THR 35 11.260 -10.871 -14.877 1.00 0.00 ATOM 284 CB THR 35 11.723 -10.480 -16.293 1.00 0.00 ATOM 285 CG2 THR 35 12.499 -11.619 -16.933 1.00 0.00 ATOM 286 OG1 THR 35 10.581 -10.168 -17.102 1.00 0.00 ATOM 287 O THR 35 13.317 -10.484 -13.718 1.00 0.00 ATOM 288 C THR 35 12.470 -11.304 -14.068 1.00 0.00 ATOM 289 N ILE 36 12.557 -12.604 -13.782 1.00 0.00 ATOM 290 CA ILE 36 13.675 -13.159 -13.034 1.00 0.00 ATOM 291 CB ILE 36 13.196 -13.922 -11.786 1.00 0.00 ATOM 292 CG1 ILE 36 12.257 -13.046 -10.952 1.00 0.00 ATOM 293 CG2 ILE 36 14.385 -14.377 -10.952 1.00 0.00 ATOM 294 CD1 ILE 36 10.848 -12.975 -11.493 1.00 0.00 ATOM 295 O ILE 36 13.913 -15.070 -14.467 1.00 0.00 ATOM 296 C ILE 36 14.457 -14.081 -13.970 1.00 0.00 ATOM 297 N ILE 37 15.715 -13.734 -14.237 1.00 0.00 ATOM 298 CA ILE 37 16.554 -14.557 -15.090 1.00 0.00 ATOM 299 CB ILE 37 17.013 -13.788 -16.342 1.00 0.00 ATOM 300 CG1 ILE 37 17.818 -12.549 -15.942 1.00 0.00 ATOM 301 CG2 ILE 37 15.816 -13.397 -17.195 1.00 0.00 ATOM 302 CD1 ILE 37 18.476 -11.846 -17.107 1.00 0.00 ATOM 303 O ILE 37 18.258 -14.383 -13.408 1.00 0.00 ATOM 304 C ILE 37 17.774 -15.052 -14.320 1.00 0.00 ATOM 305 N ASN 38 18.266 -16.229 -14.695 1.00 0.00 ATOM 306 CA ASN 38 19.443 -16.805 -14.057 1.00 0.00 ATOM 307 CB ASN 38 19.091 -17.462 -12.735 1.00 0.00 ATOM 308 CG ASN 38 20.286 -17.962 -11.971 1.00 0.00 ATOM 309 ND2 ASN 38 20.072 -19.001 -11.205 1.00 0.00 ATOM 310 OD1 ASN 38 21.404 -17.458 -12.129 1.00 0.00 ATOM 311 O ASN 38 19.354 -18.460 -15.795 1.00 0.00 ATOM 312 C ASN 38 20.060 -17.784 -15.046 1.00 0.00 ATOM 313 N LEU 39 21.454 -17.805 -15.056 1.00 0.00 ATOM 314 CA LEU 39 22.190 -18.684 -15.955 1.00 0.00 ATOM 315 CB LEU 39 23.689 -18.362 -15.902 1.00 0.00 ATOM 316 CG LEU 39 24.078 -16.978 -16.439 1.00 0.00 ATOM 317 CD1 LEU 39 25.565 -16.733 -16.221 1.00 0.00 ATOM 318 CD2 LEU 39 23.727 -16.889 -17.917 1.00 0.00 ATOM 319 O LEU 39 22.117 -20.561 -14.460 1.00 0.00 ATOM 320 C LEU 39 21.949 -20.149 -15.609 1.00 0.00 ATOM 321 N GLY 40 21.556 -20.932 -16.607 1.00 0.00 ATOM 322 CA GLY 40 21.295 -22.354 -16.410 1.00 0.00 ATOM 323 O GLY 40 19.426 -23.736 -15.812 1.00 0.00 ATOM 324 C GLY 40 19.851 -22.594 -15.981 1.00 0.00 ATOM 325 N GLU 41 19.102 -21.509 -15.804 1.00 0.00 ATOM 326 CA GLU 41 17.711 -21.600 -15.379 1.00 0.00 ATOM 327 CB GLU 41 17.528 -20.951 -14.004 1.00 0.00 ATOM 328 CG GLU 41 18.349 -21.590 -12.894 1.00 0.00 ATOM 329 CD GLU 41 17.885 -22.991 -12.607 1.00 0.00 ATOM 330 OE1 GLU 41 16.701 -23.187 -12.470 1.00 0.00 ATOM 331 OE2 GLU 41 18.699 -23.883 -12.635 1.00 0.00 ATOM 332 O GLU 41 17.180 -20.067 -17.128 1.00 0.00 ATOM 333 C GLU 41 16.765 -20.950 -16.384 1.00 0.00 ATOM 334 N GLN 42 15.523 -21.404 -16.384 1.00 0.00 ATOM 335 CA GLN 42 14.515 -20.835 -17.292 1.00 0.00 ATOM 336 CB GLN 42 13.365 -21.823 -17.502 1.00 0.00 ATOM 337 CG GLN 42 12.285 -21.330 -18.451 1.00 0.00 ATOM 338 CD GLN 42 11.232 -22.385 -18.729 1.00 0.00 ATOM 339 OE1 GLN 42 11.381 -23.548 -18.341 1.00 0.00 ATOM 340 NE2 GLN 42 10.162 -21.989 -19.407 1.00 0.00 ATOM 341 O GLN 42 13.758 -19.389 -15.534 1.00 0.00 ATOM 342 C GLN 42 13.984 -19.518 -16.737 1.00 0.00 ATOM 343 N ALA 43 13.823 -18.498 -17.669 1.00 0.00 ATOM 344 CA ALA 43 13.372 -17.178 -17.245 1.00 0.00 ATOM 345 CB ALA 43 13.546 -16.171 -18.372 1.00 0.00 ATOM 346 O ALA 43 11.047 -17.732 -17.478 1.00 0.00 ATOM 347 C ALA 43 11.920 -17.214 -16.781 1.00 0.00 ATOM 348 N ALA 44 11.667 -16.661 -15.600 1.00 0.00 ATOM 349 CA ALA 44 10.320 -16.626 -15.042 1.00 0.00 ATOM 350 CB ALA 44 10.261 -17.431 -13.751 1.00 0.00 ATOM 351 O ALA 44 10.632 -14.388 -14.261 1.00 0.00 ATOM 352 C ALA 44 9.855 -15.202 -14.760 1.00 0.00 ATOM 353 N LYS 45 8.614 -14.920 -15.125 1.00 0.00 ATOM 354 CA LYS 45 8.035 -13.589 -14.935 1.00 0.00 ATOM 355 CB LYS 45 7.832 -12.896 -16.283 1.00 0.00 ATOM 356 CG LYS 45 6.824 -13.581 -17.197 1.00 0.00 ATOM 357 CD LYS 45 6.708 -12.860 -18.531 1.00 0.00 ATOM 358 CE LYS 45 5.726 -13.562 -19.458 1.00 0.00 ATOM 359 NZ LYS 45 5.626 -12.886 -20.779 1.00 0.00 ATOM 360 O LYS 45 5.812 -14.442 -14.632 1.00 0.00 ATOM 361 C LYS 45 6.722 -13.750 -14.177 1.00 0.00 ATOM 362 N LEU 46 6.629 -13.102 -13.020 1.00 0.00 ATOM 363 CA LEU 46 5.379 -13.049 -12.269 1.00 0.00 ATOM 364 CB LEU 46 5.649 -13.276 -10.776 1.00 0.00 ATOM 365 CG LEU 46 4.410 -13.204 -9.872 1.00 0.00 ATOM 366 CD1 LEU 46 3.443 -14.328 -10.221 1.00 0.00 ATOM 367 CD2 LEU 46 4.839 -13.294 -8.415 1.00 0.00 ATOM 368 O LEU 46 5.170 -10.663 -12.109 1.00 0.00 ATOM 369 C LEU 46 4.664 -11.721 -12.485 1.00 0.00 ATOM 370 N GLU 47 3.482 -11.782 -13.090 1.00 0.00 ATOM 371 CA GLU 47 2.725 -10.580 -13.414 1.00 0.00 ATOM 372 CB GLU 47 2.218 -10.639 -14.857 1.00 0.00 ATOM 373 CG GLU 47 1.435 -9.411 -15.299 1.00 0.00 ATOM 374 CD GLU 47 1.016 -9.519 -16.739 1.00 0.00 ATOM 375 OE1 GLU 47 1.315 -10.516 -17.352 1.00 0.00 ATOM 376 OE2 GLU 47 0.299 -8.659 -17.194 1.00 0.00 ATOM 377 O GLU 47 0.619 -11.188 -12.435 1.00 0.00 ATOM 378 C GLU 47 1.555 -10.389 -12.457 1.00 0.00 ATOM 379 N THR 48 1.615 -9.325 -11.662 1.00 0.00 ATOM 380 CA THR 48 0.532 -8.991 -10.744 1.00 0.00 ATOM 381 CB THR 48 1.071 -8.556 -9.369 1.00 0.00 ATOM 382 CG2 THR 48 1.839 -9.693 -8.713 1.00 0.00 ATOM 383 OG1 THR 48 1.940 -7.427 -9.529 1.00 0.00 ATOM 384 O THR 48 0.150 -6.834 -11.727 1.00 0.00 ATOM 385 C THR 48 -0.348 -7.881 -11.309 1.00 0.00 ATOM 386 N ARG 49 -1.655 -8.116 -11.320 1.00 0.00 ATOM 387 CA ARG 49 -2.605 -7.142 -11.844 1.00 0.00 ATOM 388 CB ARG 49 -3.068 -7.492 -13.250 1.00 0.00 ATOM 389 CG ARG 49 -4.050 -6.506 -13.863 1.00 0.00 ATOM 390 CD ARG 49 -4.248 -6.668 -15.326 1.00 0.00 ATOM 391 NE ARG 49 -3.067 -6.396 -16.129 1.00 0.00 ATOM 392 CZ ARG 49 -2.949 -6.682 -17.440 1.00 0.00 ATOM 393 NH1 ARG 49 -3.920 -7.282 -18.091 1.00 0.00 ATOM 394 NH2 ARG 49 -1.821 -6.366 -18.049 1.00 0.00 ATOM 395 O ARG 49 -4.614 -7.827 -10.702 1.00 0.00 ATOM 396 C ARG 49 -3.815 -6.916 -10.935 1.00 0.00 ATOM 397 N HIS 50 -3.903 -5.622 -10.409 1.00 0.00 ATOM 398 CA HIS 50 -4.989 -5.248 -9.500 1.00 0.00 ATOM 399 CB HIS 50 -4.614 -5.566 -8.049 1.00 0.00 ATOM 400 CG HIS 50 -4.175 -6.981 -7.838 1.00 0.00 ATOM 401 CD2 HIS 50 -4.775 -8.156 -8.140 1.00 0.00 ATOM 402 ND1 HIS 50 -2.972 -7.306 -7.246 1.00 0.00 ATOM 403 CE1 HIS 50 -2.853 -8.621 -7.192 1.00 0.00 ATOM 404 NE2 HIS 50 -3.932 -9.159 -7.729 1.00 0.00 ATOM 405 O HIS 50 -4.540 -2.988 -10.182 1.00 0.00 ATOM 406 C HIS 50 -5.327 -3.768 -9.646 1.00 0.00 ATOM 407 N TRP 51 -6.527 -3.395 -9.210 1.00 0.00 ATOM 408 CA TRP 51 -6.914 -1.991 -9.145 1.00 0.00 ATOM 409 CB TRP 51 -8.278 -1.864 -9.813 1.00 0.00 ATOM 410 CG TRP 51 -8.930 -0.516 -9.657 1.00 0.00 ATOM 411 CD1 TRP 51 -8.310 0.699 -9.594 1.00 0.00 ATOM 412 CD2 TRP 51 -10.336 -0.255 -9.529 1.00 0.00 ATOM 413 CE2 TRP 51 -10.490 1.140 -9.390 1.00 0.00 ATOM 414 CE3 TRP 51 -11.477 -1.066 -9.521 1.00 0.00 ATOM 415 NE1 TRP 51 -9.243 1.700 -9.432 1.00 0.00 ATOM 416 CZ2 TRP 51 -11.741 1.740 -9.239 1.00 0.00 ATOM 417 CZ3 TRP 51 -12.718 -0.467 -9.371 1.00 0.00 ATOM 418 CH2 TRP 51 -12.839 0.922 -9.233 1.00 0.00 ATOM 419 O TRP 51 -8.105 -2.298 -7.083 1.00 0.00 ATOM 420 C TRP 51 -7.327 -1.597 -7.731 1.00 0.00 ATOM 421 N ILE 52 -6.801 -0.472 -7.257 1.00 0.00 ATOM 422 CA ILE 52 -7.100 0.006 -5.913 1.00 0.00 ATOM 423 CB ILE 52 -5.862 -0.064 -5.001 1.00 0.00 ATOM 424 CG1 ILE 52 -6.263 0.150 -3.539 1.00 0.00 ATOM 425 CG2 ILE 52 -4.826 0.965 -5.428 1.00 0.00 ATOM 426 CD1 ILE 52 -5.176 -0.203 -2.549 1.00 0.00 ATOM 427 O ILE 52 -7.092 2.287 -6.660 1.00 0.00 ATOM 428 C ILE 52 -7.618 1.439 -5.939 1.00 0.00 ATOM 429 N ILE 53 -8.651 1.705 -5.145 1.00 0.00 ATOM 430 CA ILE 53 -9.115 3.069 -4.921 1.00 0.00 ATOM 431 CB ILE 53 -10.635 3.190 -5.131 1.00 0.00 ATOM 432 CG1 ILE 53 -11.083 4.644 -4.960 1.00 0.00 ATOM 433 CG2 ILE 53 -11.379 2.283 -4.163 1.00 0.00 ATOM 434 CD1 ILE 53 -12.488 4.912 -5.451 1.00 0.00 ATOM 435 O ILE 53 -9.104 2.897 -2.527 1.00 0.00 ATOM 436 C ILE 53 -8.765 3.546 -3.516 1.00 0.00 ATOM 437 N THR 54 -8.085 4.685 -3.436 1.00 0.00 ATOM 438 CA THR 54 -7.689 5.253 -2.152 1.00 0.00 ATOM 439 CB THR 54 -6.158 5.393 -2.044 1.00 0.00 ATOM 440 CG2 THR 54 -5.488 4.034 -2.179 1.00 0.00 ATOM 441 OG1 THR 54 -5.681 6.263 -3.078 1.00 0.00 ATOM 442 O THR 54 -8.594 7.352 -2.885 1.00 0.00 ATOM 443 C THR 54 -8.331 6.618 -1.932 1.00 0.00 ATOM 444 N ASP 55 -8.580 6.953 -0.670 1.00 0.00 ATOM 445 CA ASP 55 -8.852 8.332 -0.283 1.00 0.00 ATOM 446 CB ASP 55 -9.575 8.377 1.066 1.00 0.00 ATOM 447 CG ASP 55 -11.035 7.948 1.011 1.00 0.00 ATOM 448 OD1 ASP 55 -11.560 7.834 -0.071 1.00 0.00 ATOM 449 OD2 ASP 55 -11.565 7.589 2.035 1.00 0.00 ATOM 450 O ASP 55 -6.470 8.618 -0.407 1.00 0.00 ATOM 451 C ASP 55 -7.564 9.149 -0.216 1.00 0.00 ATOM 452 N ALA 56 -7.704 10.442 0.056 1.00 0.00 ATOM 453 CA ALA 56 -6.569 11.356 0.034 1.00 0.00 ATOM 454 CB ALA 56 -7.050 12.798 0.123 1.00 0.00 ATOM 455 O ALA 56 -4.392 11.254 1.034 1.00 0.00 ATOM 456 C ALA 56 -5.590 10.994 1.149 1.00 0.00 ATOM 457 N ASN 57 -6.109 10.422 2.227 1.00 0.00 ATOM 458 CA ASN 57 -5.260 10.036 3.353 1.00 0.00 ATOM 459 CB ASN 57 -6.063 9.905 4.634 1.00 0.00 ATOM 460 CG ASN 57 -6.531 11.220 5.192 1.00 0.00 ATOM 461 ND2 ASN 57 -7.499 11.150 6.070 1.00 0.00 ATOM 462 OD1 ASN 57 -5.972 12.281 4.889 1.00 0.00 ATOM 463 O ASN 57 -3.685 8.305 3.888 1.00 0.00 ATOM 464 C ASN 57 -4.508 8.738 3.081 1.00 0.00 ATOM 465 N GLY 58 -4.795 8.121 1.938 1.00 0.00 ATOM 466 CA GLY 58 -4.169 6.856 1.573 1.00 0.00 ATOM 467 O GLY 58 -4.442 4.537 2.132 1.00 0.00 ATOM 468 C GLY 58 -4.901 5.677 2.204 1.00 0.00 ATOM 469 N LYS 59 -6.043 5.958 2.824 1.00 0.00 ATOM 470 CA LYS 59 -6.899 4.909 3.368 1.00 0.00 ATOM 471 CB LYS 59 -7.955 5.509 4.297 1.00 0.00 ATOM 472 CG LYS 59 -7.399 6.086 5.592 1.00 0.00 ATOM 473 CD LYS 59 -8.510 6.628 6.479 1.00 0.00 ATOM 474 CE LYS 59 -7.952 7.242 7.754 1.00 0.00 ATOM 475 NZ LYS 59 -9.030 7.764 8.638 1.00 0.00 ATOM 476 O LYS 59 -8.030 4.681 1.262 1.00 0.00 ATOM 477 C LYS 59 -7.570 4.114 2.253 1.00 0.00 ATOM 478 N THR 60 -7.624 2.797 2.424 1.00 0.00 ATOM 479 CA THR 60 -8.139 1.911 1.386 1.00 0.00 ATOM 480 CB THR 60 -7.563 0.489 1.520 1.00 0.00 ATOM 481 CG2 THR 60 -6.066 0.492 1.250 1.00 0.00 ATOM 482 OG1 THR 60 -7.806 -0.005 2.844 1.00 0.00 ATOM 483 O THR 60 -10.239 1.359 2.405 1.00 0.00 ATOM 484 C THR 60 -9.661 1.837 1.429 1.00 0.00 ATOM 485 N SER 61 -10.327 2.311 0.285 1.00 0.00 ATOM 486 CA SER 61 -11.779 2.214 0.214 1.00 0.00 ATOM 487 CB SER 61 -12.343 3.521 -0.389 1.00 0.00 ATOM 488 OG SER 61 -12.045 4.629 0.440 1.00 0.00 ATOM 489 O SER 61 -13.241 0.357 -0.207 1.00 0.00 ATOM 490 C SER 61 -12.214 0.954 -0.527 1.00 0.00 ATOM 491 N GLU 62 -11.424 0.554 -1.518 1.00 0.00 ATOM 492 CA GLU 62 -11.762 -0.592 -2.353 1.00 0.00 ATOM 493 CB GLU 62 -12.991 -0.258 -3.228 1.00 0.00 ATOM 494 CG GLU 62 -14.260 0.077 -2.462 1.00 0.00 ATOM 495 CD GLU 62 -15.489 0.216 -3.367 1.00 0.00 ATOM 496 OE1 GLU 62 -16.571 0.496 -2.821 1.00 0.00 ATOM 497 OE2 GLU 62 -15.381 0.045 -4.605 1.00 0.00 ATOM 498 O GLU 62 -9.690 -0.480 -3.561 1.00 0.00 ATOM 499 C GLU 62 -10.516 -1.195 -2.993 1.00 0.00 ATOM 500 N VAL 63 -10.385 -2.514 -2.893 1.00 0.00 ATOM 501 CA VAL 63 -9.288 -3.226 -3.538 1.00 0.00 ATOM 502 CB VAL 63 -8.333 -3.847 -2.502 1.00 0.00 ATOM 503 CG1 VAL 63 -7.216 -4.610 -3.199 1.00 0.00 ATOM 504 CG2 VAL 63 -7.757 -2.772 -1.594 1.00 0.00 ATOM 505 O VAL 63 -10.489 -5.257 -3.988 1.00 0.00 ATOM 506 C VAL 63 -9.841 -4.316 -4.450 1.00 0.00 ATOM 507 N GLN 64 -9.571 -4.185 -5.745 1.00 0.00 ATOM 508 CA GLN 64 -10.007 -5.167 -6.728 1.00 0.00 ATOM 509 CB GLN 64 -10.678 -4.575 -7.983 1.00 0.00 ATOM 510 CG GLN 64 -11.137 -5.639 -8.966 1.00 0.00 ATOM 511 CD GLN 64 -11.723 -5.046 -10.215 1.00 0.00 ATOM 512 OE1 GLN 64 -12.775 -4.413 -10.161 1.00 0.00 ATOM 513 NE2 GLN 64 -11.227 -5.115 -11.440 1.00 0.00 ATOM 514 O GLN 64 -8.035 -5.857 -7.901 1.00 0.00 ATOM 515 C GLN 64 -8.901 -6.156 -7.079 1.00 0.00 ATOM 516 N GLY 65 -9.053 -7.394 -6.622 1.00 0.00 ATOM 517 CA GLY 65 -8.061 -8.432 -6.873 1.00 0.00 ATOM 518 O GLY 65 -6.113 -7.934 -5.560 1.00 0.00 ATOM 519 C GLY 65 -7.135 -8.611 -5.675 1.00 0.00 ATOM 520 N ALA 66 -7.480 -9.550 -4.801 1.00 0.00 ATOM 521 CA ALA 66 -6.708 -9.789 -3.587 1.00 0.00 ATOM 522 CB ALA 66 -7.630 -10.166 -2.437 1.00 0.00 ATOM 523 O ALA 66 -5.751 -11.965 -3.245 1.00 0.00 ATOM 524 C ALA 66 -5.658 -10.873 -3.807 1.00 0.00 ATOM 525 N GLY 67 -4.660 -10.566 -4.628 1.00 0.00 ATOM 526 CA GLY 67 -3.551 -11.484 -4.865 1.00 0.00 ATOM 527 O GLY 67 -2.417 -10.534 -2.955 1.00 0.00 ATOM 528 C GLY 67 -2.326 -11.090 -4.046 1.00 0.00 ATOM 529 N VAL 68 -1.070 -11.342 -4.609 1.00 0.00 ATOM 530 CA VAL 68 0.168 -10.961 -3.939 1.00 0.00 ATOM 531 CB VAL 68 1.404 -11.383 -4.755 1.00 0.00 ATOM 532 CG1 VAL 68 2.670 -10.803 -4.142 1.00 0.00 ATOM 533 CG2 VAL 68 1.498 -12.899 -4.835 1.00 0.00 ATOM 534 O VAL 68 0.418 -8.989 -2.593 1.00 0.00 ATOM 535 C VAL 68 0.189 -9.453 -3.710 1.00 0.00 ATOM 536 N VAL 69 -0.166 -8.697 -4.744 1.00 0.00 ATOM 537 CA VAL 69 -0.136 -7.242 -4.675 1.00 0.00 ATOM 538 CB VAL 69 -0.091 -6.584 -6.043 1.00 0.00 ATOM 539 CG1 VAL 69 -0.213 -5.070 -5.952 1.00 0.00 ATOM 540 CG2 VAL 69 1.208 -6.961 -6.749 1.00 0.00 ATOM 541 O VAL 69 -1.191 -5.903 -2.985 1.00 0.00 ATOM 542 C VAL 69 -1.340 -6.701 -3.910 1.00 0.00 ATOM 543 N GLY 70 -2.532 -7.123 -4.316 1.00 0.00 ATOM 544 CA GLY 70 -3.766 -6.635 -3.712 1.00 0.00 ATOM 545 O GLY 70 -4.177 -6.022 -1.428 1.00 0.00 ATOM 546 C GLY 70 -3.781 -6.889 -2.208 1.00 0.00 ATOM 547 N GLU 71 -3.280 -8.052 -1.804 1.00 0.00 ATOM 548 CA GLU 71 -3.226 -8.413 -0.393 1.00 0.00 ATOM 549 CB GLU 71 -2.964 -9.913 -0.234 1.00 0.00 ATOM 550 CG GLU 71 -4.119 -10.802 -0.674 1.00 0.00 ATOM 551 CD GLU 71 -3.764 -12.258 -0.550 1.00 0.00 ATOM 552 OE1 GLU 71 -2.660 -12.550 -0.159 1.00 0.00 ATOM 553 OE2 GLU 71 -4.633 -13.078 -0.736 1.00 0.00 ATOM 554 O GLU 71 -2.197 -7.452 1.557 1.00 0.00 ATOM 555 C GLU 71 -2.163 -7.615 0.314 1.00 0.00 ATOM 556 N THR 72 -1.115 -7.047 -0.402 1.00 0.00 ATOM 557 CA THR 72 -0.071 -6.267 0.209 1.00 0.00 ATOM 558 CB THR 72 1.130 -6.088 -0.738 1.00 0.00 ATOM 559 CG2 THR 72 2.271 -5.378 -0.026 1.00 0.00 ATOM 560 OG1 THR 72 1.580 -7.373 -1.190 1.00 0.00 ATOM 561 O THR 72 -0.339 -4.407 1.703 1.00 0.00 ATOM 562 C THR 72 -0.623 -4.904 0.613 1.00 0.00 ATOM 563 N PRO 73 -1.486 -4.347 -0.231 1.00 0.00 ATOM 564 CA PRO 73 -2.044 -3.022 0.008 1.00 0.00 ATOM 565 CB PRO 73 -2.819 -2.717 -1.247 1.00 0.00 ATOM 566 CG PRO 73 -1.998 -3.362 -2.296 1.00 0.00 ATOM 567 CD PRO 73 -1.671 -4.701 -1.676 1.00 0.00 ATOM 568 O PRO 73 -3.124 -2.010 1.892 1.00 0.00 ATOM 569 C PRO 73 -2.914 -3.043 1.263 1.00 0.00 ATOM 570 N THR 74 -3.449 -4.283 1.609 1.00 0.00 ATOM 571 CA THR 74 -4.303 -4.375 2.787 1.00 0.00 ATOM 572 CB THR 74 -4.773 -5.822 3.033 1.00 0.00 ATOM 573 CG2 THR 74 -5.586 -6.326 1.850 1.00 0.00 ATOM 574 OG1 THR 74 -3.635 -6.671 3.223 1.00 0.00 ATOM 575 O THR 74 -4.297 -3.539 5.037 1.00 0.00 ATOM 576 C THR 74 -3.629 -3.880 4.062 1.00 0.00 ATOM 577 N ILE 75 -2.301 -3.827 4.041 1.00 0.00 ATOM 578 CA ILE 75 -1.533 -3.409 5.207 1.00 0.00 ATOM 579 CB ILE 75 -0.042 -3.767 5.059 1.00 0.00 ATOM 580 CG1 ILE 75 0.567 -3.033 3.862 1.00 0.00 ATOM 581 CG2 ILE 75 0.131 -5.270 4.911 1.00 0.00 ATOM 582 CD1 ILE 75 2.071 -3.159 3.769 1.00 0.00 ATOM 583 O ILE 75 -1.925 -1.144 4.516 1.00 0.00 ATOM 584 C ILE 75 -1.665 -1.908 5.445 1.00 0.00 ATOM 585 N PRO 76 -1.485 -1.494 6.695 1.00 0.00 ATOM 586 CA PRO 76 -1.552 -0.083 7.051 1.00 0.00 ATOM 587 CB PRO 76 -1.677 -0.131 8.562 1.00 0.00 ATOM 588 CG PRO 76 -0.839 -1.342 8.911 1.00 0.00 ATOM 589 CD PRO 76 -1.100 -2.346 7.847 1.00 0.00 ATOM 590 O PRO 76 0.718 0.097 6.293 1.00 0.00 ATOM 591 C PRO 76 -0.342 0.680 6.519 1.00 0.00 ATOM 592 N PRO 77 -0.508 1.984 6.324 1.00 0.00 ATOM 593 CA PRO 77 0.585 2.837 5.877 1.00 0.00 ATOM 594 CB PRO 77 -0.058 4.224 5.779 1.00 0.00 ATOM 595 CG PRO 77 -1.532 3.953 5.637 1.00 0.00 ATOM 596 CD PRO 77 -1.800 2.718 6.409 1.00 0.00 ATOM 597 O PRO 77 1.501 2.911 8.096 1.00 0.00 ATOM 598 C PRO 77 1.728 2.844 6.887 1.00 0.00 ATOM 599 N ASN 78 2.956 2.774 6.384 1.00 0.00 ATOM 600 CA ASN 78 4.136 2.785 7.240 1.00 0.00 ATOM 601 CB ASN 78 4.137 3.986 8.168 1.00 0.00 ATOM 602 CG ASN 78 4.212 5.304 7.451 1.00 0.00 ATOM 603 ND2 ASN 78 3.300 6.181 7.784 1.00 0.00 ATOM 604 OD1 ASN 78 5.129 5.553 6.659 1.00 0.00 ATOM 605 O ASN 78 4.962 1.435 9.046 1.00 0.00 ATOM 606 C ASN 78 4.244 1.495 8.047 1.00 0.00 ATOM 607 N THR 79 3.458 0.479 7.445 1.00 0.00 ATOM 608 CA THR 79 3.515 -0.820 8.105 1.00 0.00 ATOM 609 CB THR 79 2.177 -1.574 7.985 1.00 0.00 ATOM 610 CG2 THR 79 1.961 -2.053 6.558 1.00 0.00 ATOM 611 OG1 THR 79 2.180 -2.702 8.869 1.00 0.00 ATOM 612 O THR 79 5.370 -1.252 6.644 1.00 0.00 ATOM 613 C THR 79 4.628 -1.686 7.525 1.00 0.00 ATOM 614 N ALA 80 4.735 -2.913 8.022 1.00 0.00 ATOM 615 CA ALA 80 5.801 -3.818 7.607 1.00 0.00 ATOM 616 CB ALA 80 6.858 -3.927 8.696 1.00 0.00 ATOM 617 O ALA 80 4.420 -5.744 7.981 1.00 0.00 ATOM 618 C ALA 80 5.251 -5.197 7.257 1.00 0.00 ATOM 619 N TYR 81 5.637 -5.703 6.090 1.00 0.00 ATOM 620 CA TYR 81 5.208 -7.027 5.651 1.00 0.00 ATOM 621 CB TYR 81 4.299 -6.916 4.424 1.00 0.00 ATOM 622 CG TYR 81 3.754 -8.242 3.944 1.00 0.00 ATOM 623 CD1 TYR 81 2.655 -8.825 4.558 1.00 0.00 ATOM 624 CD2 TYR 81 4.337 -8.905 2.875 1.00 0.00 ATOM 625 CE1 TYR 81 2.153 -10.036 4.123 1.00 0.00 ATOM 626 CE2 TYR 81 3.843 -10.116 2.432 1.00 0.00 ATOM 627 CZ TYR 81 2.751 -10.679 3.058 1.00 0.00 ATOM 628 OH TYR 81 2.254 -11.885 2.619 1.00 0.00 ATOM 629 O TYR 81 7.122 -7.688 4.364 1.00 0.00 ATOM 630 C TYR 81 6.404 -7.918 5.337 1.00 0.00 ATOM 631 N GLN 82 6.599 -8.947 6.154 1.00 0.00 ATOM 632 CA GLN 82 7.678 -9.904 5.938 1.00 0.00 ATOM 633 CB GLN 82 8.486 -10.100 7.223 1.00 0.00 ATOM 634 CG GLN 82 9.197 -8.847 7.708 1.00 0.00 ATOM 635 CD GLN 82 9.941 -9.073 9.010 1.00 0.00 ATOM 636 OE1 GLN 82 10.032 -10.201 9.503 1.00 0.00 ATOM 637 NE2 GLN 82 10.476 -7.998 9.579 1.00 0.00 ATOM 638 O GLN 82 6.124 -11.734 5.963 1.00 0.00 ATOM 639 C GLN 82 7.139 -11.248 5.460 1.00 0.00 ATOM 640 N TYR 83 7.834 -11.854 4.504 1.00 0.00 ATOM 641 CA TYR 83 7.448 -13.160 3.987 1.00 0.00 ATOM 642 CB TYR 83 7.184 -13.083 2.482 1.00 0.00 ATOM 643 CG TYR 83 6.715 -14.387 1.873 1.00 0.00 ATOM 644 CD1 TYR 83 5.424 -14.848 2.088 1.00 0.00 ATOM 645 CD2 TYR 83 7.563 -15.149 1.084 1.00 0.00 ATOM 646 CE1 TYR 83 4.991 -16.038 1.536 1.00 0.00 ATOM 647 CE2 TYR 83 7.140 -16.339 0.525 1.00 0.00 ATOM 648 CZ TYR 83 5.853 -16.781 0.754 1.00 0.00 ATOM 649 OH TYR 83 5.425 -17.966 0.200 1.00 0.00 ATOM 650 O TYR 83 9.628 -14.031 4.514 1.00 0.00 ATOM 651 C TYR 83 8.463 -14.255 4.238 1.00 0.00 ATOM 652 N THR 84 8.021 -15.550 3.951 1.00 0.00 ATOM 653 CA THR 84 8.990 -16.648 3.996 1.00 0.00 ATOM 654 CB THR 84 8.528 -17.855 3.160 1.00 0.00 ATOM 655 CG2 THR 84 9.536 -18.989 3.258 1.00 0.00 ATOM 656 OG1 THR 84 7.254 -18.310 3.636 1.00 0.00 ATOM 657 O THR 84 11.387 -16.531 4.090 1.00 0.00 ATOM 658 C THR 84 10.359 -16.221 3.487 1.00 0.00 ATOM 659 N SER 85 10.357 -15.504 2.366 1.00 0.00 ATOM 660 CA SER 85 11.586 -15.026 1.752 1.00 0.00 ATOM 661 CB SER 85 12.058 -16.006 0.696 1.00 0.00 ATOM 662 OG SER 85 13.221 -15.566 0.052 1.00 0.00 ATOM 663 O SER 85 10.488 -13.488 0.271 1.00 0.00 ATOM 664 C SER 85 11.318 -13.643 1.168 1.00 0.00 ATOM 665 N GLY 86 11.936 -12.626 1.759 1.00 0.00 ATOM 666 CA GLY 86 11.795 -11.257 1.275 1.00 0.00 ATOM 667 O GLY 86 9.997 -11.033 2.850 1.00 0.00 ATOM 668 C GLY 86 10.831 -10.461 2.148 1.00 0.00 ATOM 669 N THR 87 10.934 -9.138 2.080 1.00 0.00 ATOM 670 CA THR 87 10.047 -8.261 2.834 1.00 0.00 ATOM 671 CB THR 87 10.542 -8.095 4.299 1.00 0.00 ATOM 672 CG2 THR 87 11.923 -7.468 4.395 1.00 0.00 ATOM 673 OG1 THR 87 9.634 -7.291 5.061 1.00 0.00 ATOM 674 O THR 87 10.909 -6.464 1.495 1.00 0.00 ATOM 675 C THR 87 9.998 -6.865 2.219 1.00 0.00 ATOM 676 N VAL 88 8.952 -6.115 2.549 1.00 0.00 ATOM 677 CA VAL 88 8.796 -4.756 2.046 1.00 0.00 ATOM 678 CB VAL 88 7.806 -4.674 0.878 1.00 0.00 ATOM 679 CG1 VAL 88 8.199 -5.667 -0.196 1.00 0.00 ATOM 680 CG2 VAL 88 6.392 -4.909 1.326 1.00 0.00 ATOM 681 O VAL 88 7.447 -4.358 3.993 1.00 0.00 ATOM 682 C VAL 88 8.096 -3.867 3.068 1.00 0.00 ATOM 683 N LEU 89 8.280 -2.557 2.932 1.00 0.00 ATOM 684 CA LEU 89 7.637 -1.595 3.821 1.00 0.00 ATOM 685 CB LEU 89 8.701 -0.772 4.546 1.00 0.00 ATOM 686 CG LEU 89 9.511 -1.507 5.589 1.00 0.00 ATOM 687 CD1 LEU 89 10.676 -0.639 6.030 1.00 0.00 ATOM 688 CD2 LEU 89 8.568 -1.828 6.733 1.00 0.00 ATOM 689 O LEU 89 7.441 -0.121 1.965 1.00 0.00 ATOM 690 C LEU 89 6.946 -0.491 3.030 1.00 0.00 ATOM 691 N ASP 90 6.090 0.268 3.707 1.00 0.00 ATOM 692 CA ASP 90 5.405 1.393 3.084 1.00 0.00 ATOM 693 CB ASP 90 3.902 1.330 3.368 1.00 0.00 ATOM 694 CG ASP 90 3.102 2.488 2.787 1.00 0.00 ATOM 695 OD1 ASP 90 2.894 2.503 1.597 1.00 0.00 ATOM 696 OD2 ASP 90 2.575 3.261 3.550 1.00 0.00 ATOM 697 O ASP 90 6.034 2.981 4.772 1.00 0.00 ATOM 698 C ASP 90 5.973 2.722 3.569 1.00 0.00 ATOM 699 N THR 91 6.407 3.554 2.627 1.00 0.00 ATOM 700 CA THR 91 7.025 4.832 2.959 1.00 0.00 ATOM 701 CB THR 91 7.899 5.355 1.804 1.00 0.00 ATOM 702 CG2 THR 91 8.978 4.343 1.451 1.00 0.00 ATOM 703 OG1 THR 91 7.079 5.595 0.652 1.00 0.00 ATOM 704 O THR 91 4.772 5.633 3.173 1.00 0.00 ATOM 705 C THR 91 5.971 5.881 3.301 1.00 0.00 ATOM 706 N PRO 92 6.426 7.033 3.789 1.00 0.00 ATOM 707 CA PRO 92 5.522 8.135 4.142 1.00 0.00 ATOM 708 CB PRO 92 6.509 9.324 4.177 1.00 0.00 ATOM 709 CG PRO 92 7.649 8.749 4.847 1.00 0.00 ATOM 710 CD PRO 92 7.832 7.396 4.069 1.00 0.00 ATOM 711 O PRO 92 3.335 8.673 3.301 1.00 0.00 ATOM 712 C PRO 92 4.513 8.431 3.037 1.00 0.00 ATOM 713 N PHE 93 5.298 8.291 1.827 1.00 0.00 ATOM 714 CA PHE 93 4.631 8.671 0.587 1.00 0.00 ATOM 715 CB PHE 93 5.635 8.724 -0.565 1.00 0.00 ATOM 716 CG PHE 93 6.658 9.817 -0.428 1.00 0.00 ATOM 717 CD1 PHE 93 7.919 9.546 0.081 1.00 0.00 ATOM 718 CD2 PHE 93 6.360 11.116 -0.808 1.00 0.00 ATOM 719 CE1 PHE 93 8.860 10.551 0.207 1.00 0.00 ATOM 720 CE2 PHE 93 7.300 12.122 -0.685 1.00 0.00 ATOM 721 CZ PHE 93 8.550 11.839 -0.176 1.00 0.00 ATOM 722 O PHE 93 2.950 7.738 -0.851 1.00 0.00 ATOM 723 C PHE 93 3.497 7.707 0.251 1.00 0.00 ATOM 724 N GLY 94 3.157 6.848 1.206 1.00 0.00 ATOM 725 CA GLY 94 2.080 5.883 1.018 1.00 0.00 ATOM 726 O GLY 94 1.529 4.289 -0.669 1.00 0.00 ATOM 727 C GLY 94 2.424 4.849 -0.037 1.00 0.00 ATOM 728 N ILE 95 3.731 4.628 -0.253 1.00 0.00 ATOM 729 CA ILE 95 4.171 3.680 -1.270 1.00 0.00 ATOM 730 CB ILE 95 5.014 4.370 -2.358 1.00 0.00 ATOM 731 CG1 ILE 95 6.187 5.125 -1.727 1.00 0.00 ATOM 732 CG2 ILE 95 4.151 5.313 -3.182 1.00 0.00 ATOM 733 CD1 ILE 95 7.179 5.662 -2.733 1.00 0.00 ATOM 734 O ILE 95 5.415 2.702 0.532 1.00 0.00 ATOM 735 C ILE 95 4.978 2.566 -0.612 1.00 0.00 ATOM 736 N MET 96 5.064 1.425 -1.287 1.00 0.00 ATOM 737 CA MET 96 5.769 0.267 -0.751 1.00 0.00 ATOM 738 CB MET 96 4.842 -0.946 -0.714 1.00 0.00 ATOM 739 CG MET 96 3.771 -0.888 0.366 1.00 0.00 ATOM 740 SD MET 96 2.706 -2.343 0.367 1.00 0.00 ATOM 741 CE MET 96 1.714 -2.039 -1.092 1.00 0.00 ATOM 742 O MET 96 6.945 -0.181 -2.792 1.00 0.00 ATOM 743 C MET 96 7.017 -0.046 -1.570 1.00 0.00 ATOM 744 N TYR 97 8.136 -0.248 -0.884 1.00 0.00 ATOM 745 CA TYR 97 9.375 -0.652 -1.539 1.00 0.00 ATOM 746 CB TYR 97 10.338 0.533 -1.640 1.00 0.00 ATOM 747 CG TYR 97 10.904 0.978 -0.309 1.00 0.00 ATOM 748 CD1 TYR 97 12.173 0.589 0.091 1.00 0.00 ATOM 749 CD2 TYR 97 10.168 1.789 0.541 1.00 0.00 ATOM 750 CE1 TYR 97 12.695 0.992 1.305 1.00 0.00 ATOM 751 CE2 TYR 97 10.678 2.199 1.757 1.00 0.00 ATOM 752 CZ TYR 97 11.944 1.798 2.136 1.00 0.00 ATOM 753 OH TYR 97 12.458 2.205 3.345 1.00 0.00 ATOM 754 O TYR 97 10.201 -1.706 0.465 1.00 0.00 ATOM 755 C TYR 97 10.000 -1.807 -0.756 1.00 0.00 ATOM 756 N GLY 98 10.337 -2.888 -1.461 1.00 0.00 ATOM 757 CA GLY 98 10.930 -4.028 -0.783 1.00 0.00 ATOM 758 O GLY 98 11.529 -4.899 -2.939 1.00 0.00 ATOM 759 C GLY 98 11.220 -5.150 -1.774 1.00 0.00 ATOM 760 N THR 99 11.121 -6.389 -1.302 1.00 0.00 ATOM 761 CA THR 99 11.342 -7.552 -2.152 1.00 0.00 ATOM 762 CB THR 99 12.720 -8.190 -1.890 1.00 0.00 ATOM 763 CG2 THR 99 13.832 -7.195 -2.182 1.00 0.00 ATOM 764 OG1 THR 99 12.804 -8.607 -0.522 1.00 0.00 ATOM 765 O THR 99 9.688 -8.712 -0.855 1.00 0.00 ATOM 766 C THR 99 10.258 -8.605 -1.941 1.00 0.00 ATOM 767 N TYR 100 9.982 -9.379 -2.984 1.00 0.00 ATOM 768 CA TYR 100 8.945 -10.403 -2.925 1.00 0.00 ATOM 769 CB TYR 100 7.720 -9.953 -3.727 1.00 0.00 ATOM 770 CG TYR 100 7.056 -8.706 -3.203 1.00 0.00 ATOM 771 CD1 TYR 100 7.511 -7.466 -3.606 1.00 0.00 ATOM 772 CD2 TYR 100 6.026 -8.766 -2.323 1.00 0.00 ATOM 773 CE1 TYR 100 6.910 -6.296 -3.162 1.00 0.00 ATOM 774 CE2 TYR 100 5.412 -7.586 -1.849 1.00 0.00 ATOM 775 CZ TYR 100 5.883 -6.371 -2.284 1.00 0.00 ATOM 776 OH TYR 100 5.303 -5.213 -1.822 1.00 0.00 ATOM 777 O TYR 100 10.006 -11.733 -4.616 1.00 0.00 ATOM 778 C TYR 100 9.432 -11.717 -3.527 1.00 0.00 ATOM 779 N GLY 101 9.108 -12.821 -2.864 1.00 0.00 ATOM 780 CA GLY 101 9.489 -14.144 -3.346 1.00 0.00 ATOM 781 O GLY 101 7.480 -15.101 -2.459 1.00 0.00 ATOM 782 C GLY 101 8.286 -15.091 -3.385 1.00 0.00 ATOM 783 N MET 102 8.150 -15.840 -4.459 1.00 0.00 ATOM 784 CA MET 102 7.037 -16.751 -4.636 1.00 0.00 ATOM 785 CB MET 102 6.193 -16.327 -5.837 1.00 0.00 ATOM 786 CG MET 102 4.928 -17.148 -6.038 1.00 0.00 ATOM 787 SD MET 102 4.034 -16.693 -7.537 1.00 0.00 ATOM 788 CE MET 102 5.146 -17.317 -8.795 1.00 0.00 ATOM 789 O MET 102 8.529 -18.375 -5.461 1.00 0.00 ATOM 790 C MET 102 7.513 -18.178 -4.813 1.00 0.00 ATOM 791 N VAL 103 6.805 -19.127 -4.216 1.00 0.00 ATOM 792 CA VAL 103 7.204 -20.535 -4.281 1.00 0.00 ATOM 793 CB VAL 103 7.838 -21.060 -2.980 1.00 0.00 ATOM 794 CG1 VAL 103 8.178 -22.537 -3.111 1.00 0.00 ATOM 795 CG2 VAL 103 9.084 -20.259 -2.633 1.00 0.00 ATOM 796 O VAL 103 5.045 -21.485 -3.832 1.00 0.00 ATOM 797 C VAL 103 5.984 -21.386 -4.621 1.00 0.00 ATOM 798 N SER 104 5.999 -21.986 -5.806 1.00 0.00 ATOM 799 CA SER 104 4.882 -22.803 -6.266 1.00 0.00 ATOM 800 CB SER 104 4.923 -22.942 -7.775 1.00 0.00 ATOM 801 OG SER 104 6.025 -23.695 -8.204 1.00 0.00 ATOM 802 O SER 104 5.871 -24.541 -4.959 1.00 0.00 ATOM 803 C SER 104 4.894 -24.169 -5.610 1.00 0.00 ATOM 804 N GLU 105 3.798 -24.943 -5.811 1.00 0.00 ATOM 805 CA GLU 105 3.701 -26.248 -5.260 1.00 0.00 ATOM 806 CB GLU 105 2.311 -26.836 -5.517 1.00 0.00 ATOM 807 CG GLU 105 1.194 -26.183 -4.715 1.00 0.00 ATOM 808 CD GLU 105 -0.148 -26.752 -5.084 1.00 0.00 ATOM 809 OE1 GLU 105 -0.202 -27.566 -5.974 1.00 0.00 ATOM 810 OE2 GLU 105 -1.102 -26.458 -4.404 1.00 0.00 ATOM 811 O GLU 105 5.109 -28.197 -5.135 1.00 0.00 ATOM 812 C GLU 105 4.748 -27.190 -5.804 1.00 0.00 ATOM 813 N SER 106 5.244 -26.886 -6.988 1.00 0.00 ATOM 814 CA SER 106 6.299 -27.642 -7.676 1.00 0.00 ATOM 815 CB SER 106 6.169 -27.469 -9.167 1.00 0.00 ATOM 816 OG SER 106 6.380 -26.113 -9.524 1.00 0.00 ATOM 817 O SER 106 8.684 -27.816 -7.585 1.00 0.00 ATOM 818 C SER 106 7.675 -27.277 -7.139 1.00 0.00 ATOM 819 N GLY 107 7.712 -26.358 -6.155 1.00 0.00 ATOM 820 CA GLY 107 8.979 -25.949 -5.575 1.00 0.00 ATOM 821 O GLY 107 10.833 -24.522 -6.115 1.00 0.00 ATOM 822 C GLY 107 9.683 -24.867 -6.387 1.00 0.00 ATOM 823 N GLU 108 8.989 -24.340 -7.390 1.00 0.00 ATOM 824 CA GLU 108 9.534 -23.274 -8.224 1.00 0.00 ATOM 825 CB GLU 108 8.744 -23.158 -9.530 1.00 0.00 ATOM 826 CG GLU 108 8.822 -24.388 -10.422 1.00 0.00 ATOM 827 CD GLU 108 10.165 -24.494 -11.089 1.00 0.00 ATOM 828 OE1 GLU 108 10.950 -23.588 -10.950 1.00 0.00 ATOM 829 OE2 GLU 108 10.450 -25.530 -11.644 1.00 0.00 ATOM 830 O GLU 108 8.485 -21.495 -7.002 1.00 0.00 ATOM 831 C GLU 108 9.526 -21.939 -7.487 1.00 0.00 ATOM 832 N HIS 109 10.636 -21.214 -7.575 1.00 0.00 ATOM 833 CA HIS 109 10.787 -19.954 -6.858 1.00 0.00 ATOM 834 CB HIS 109 11.730 -20.122 -5.660 1.00 0.00 ATOM 835 CG HIS 109 12.150 -18.826 -5.039 1.00 0.00 ATOM 836 CD2 HIS 109 13.273 -18.087 -5.192 1.00 0.00 ATOM 837 ND1 HIS 109 11.361 -18.146 -4.135 1.00 0.00 ATOM 838 CE1 HIS 109 11.984 -17.042 -3.757 1.00 0.00 ATOM 839 NE2 HIS 109 13.144 -16.984 -4.384 1.00 0.00 ATOM 840 O HIS 109 12.308 -19.032 -8.471 1.00 0.00 ATOM 841 C HIS 109 11.305 -18.854 -7.778 1.00 0.00 ATOM 842 N PHE 110 10.616 -17.718 -7.780 1.00 0.00 ATOM 843 CA PHE 110 11.014 -16.582 -8.605 1.00 0.00 ATOM 844 CB PHE 110 9.829 -16.082 -9.432 1.00 0.00 ATOM 845 CG PHE 110 9.189 -17.146 -10.279 1.00 0.00 ATOM 846 CD1 PHE 110 9.837 -18.349 -10.513 1.00 0.00 ATOM 847 CD2 PHE 110 7.939 -16.946 -10.843 1.00 0.00 ATOM 848 CE1 PHE 110 9.250 -19.328 -11.292 1.00 0.00 ATOM 849 CE2 PHE 110 7.349 -17.924 -11.621 1.00 0.00 ATOM 850 CZ PHE 110 8.006 -19.115 -11.845 1.00 0.00 ATOM 851 O PHE 110 11.047 -15.151 -6.679 1.00 0.00 ATOM 852 C PHE 110 11.572 -15.449 -7.750 1.00 0.00 ATOM 853 N ASN 111 12.628 -14.809 -8.243 1.00 0.00 ATOM 854 CA ASN 111 13.211 -13.658 -7.564 1.00 0.00 ATOM 855 CB ASN 111 14.723 -13.638 -7.706 1.00 0.00 ATOM 856 CG ASN 111 15.414 -12.772 -6.690 1.00 0.00 ATOM 857 ND2 ASN 111 16.084 -13.411 -5.766 1.00 0.00 ATOM 858 OD1 ASN 111 15.402 -11.539 -6.785 1.00 0.00 ATOM 859 O ASN 111 13.206 -11.640 -8.887 1.00 0.00 ATOM 860 C ASN 111 12.667 -12.314 -8.026 1.00 0.00 ATOM 861 N ALA 112 11.443 -11.916 -7.474 1.00 0.00 ATOM 862 CA ALA 112 10.793 -10.692 -7.876 1.00 0.00 ATOM 863 CB ALA 112 9.296 -10.835 -7.644 1.00 0.00 ATOM 864 O ALA 112 11.175 -9.328 -5.944 1.00 0.00 ATOM 865 C ALA 112 11.330 -9.459 -7.159 1.00 0.00 ATOM 866 N ILE 113 12.076 -8.634 -7.887 1.00 0.00 ATOM 867 CA ILE 113 12.723 -7.468 -7.300 1.00 0.00 ATOM 868 CB ILE 113 14.208 -7.383 -7.701 1.00 0.00 ATOM 869 CG1 ILE 113 14.976 -8.592 -7.160 1.00 0.00 ATOM 870 CG2 ILE 113 14.822 -6.088 -7.196 1.00 0.00 ATOM 871 CD1 ILE 113 14.784 -8.825 -5.679 1.00 0.00 ATOM 872 O ILE 113 11.838 -5.914 -8.904 1.00 0.00 ATOM 873 C ILE 113 12.019 -6.180 -7.716 1.00 0.00 ATOM 874 N ILE 114 11.623 -5.384 -6.728 1.00 0.00 ATOM 875 CA ILE 114 11.193 -4.012 -6.973 1.00 0.00 ATOM 876 CB ILE 114 9.929 -3.662 -6.166 1.00 0.00 ATOM 877 CG1 ILE 114 8.865 -4.748 -6.345 1.00 0.00 ATOM 878 CG2 ILE 114 9.388 -2.306 -6.588 1.00 0.00 ATOM 879 CD1 ILE 114 8.435 -4.952 -7.779 1.00 0.00 ATOM 880 O ILE 114 12.804 -3.014 -5.506 1.00 0.00 ATOM 881 C ILE 114 12.297 -3.020 -6.628 1.00 0.00 ATOM 882 N LYS 115 12.832 -2.356 -7.648 1.00 0.00 ATOM 883 CA LYS 115 13.851 -1.334 -7.448 1.00 0.00 ATOM 884 CB LYS 115 14.352 -0.807 -8.793 1.00 0.00 ATOM 885 CG LYS 115 15.119 -1.828 -9.623 1.00 0.00 ATOM 886 CD LYS 115 15.610 -1.224 -10.930 1.00 0.00 ATOM 887 CE LYS 115 16.331 -2.258 -11.783 1.00 0.00 ATOM 888 NZ LYS 115 16.831 -1.677 -13.057 1.00 0.00 ATOM 889 O LYS 115 12.134 0.144 -6.656 1.00 0.00 ATOM 890 C LYS 115 13.319 -0.183 -6.600 1.00 0.00 ATOM 891 N PRO 116 14.184 0.370 -5.755 1.00 0.00 ATOM 892 CA PRO 116 13.805 1.482 -4.892 1.00 0.00 ATOM 893 CB PRO 116 15.095 1.818 -4.124 1.00 0.00 ATOM 894 CG PRO 116 16.205 1.234 -4.956 1.00 0.00 ATOM 895 CD PRO 116 15.611 0.044 -5.648 1.00 0.00 ATOM 896 O PRO 116 12.274 3.271 -5.388 1.00 0.00 ATOM 897 C PRO 116 13.321 2.688 -5.689 1.00 0.00 ATOM 898 N PHE 117 14.062 3.065 -6.718 1.00 0.00 ATOM 899 CA PHE 117 13.719 4.196 -7.556 1.00 0.00 ATOM 900 CB PHE 117 14.819 4.460 -8.586 1.00 0.00 ATOM 901 CG PHE 117 14.519 5.606 -9.512 1.00 0.00 ATOM 902 CD1 PHE 117 14.663 6.917 -9.083 1.00 0.00 ATOM 903 CD2 PHE 117 14.096 5.374 -10.811 1.00 0.00 ATOM 904 CE1 PHE 117 14.388 7.971 -9.932 1.00 0.00 ATOM 905 CE2 PHE 117 13.820 6.427 -11.663 1.00 0.00 ATOM 906 CZ PHE 117 13.967 7.727 -11.223 1.00 0.00 ATOM 907 O PHE 117 11.534 4.870 -8.289 1.00 0.00 ATOM 908 C PHE 117 12.383 3.979 -8.258 1.00 0.00 ATOM 909 N ARG 118 12.144 2.725 -8.822 1.00 0.00 ATOM 910 CA ARG 118 10.876 2.427 -9.476 1.00 0.00 ATOM 911 CB ARG 118 10.935 1.136 -10.280 1.00 0.00 ATOM 912 CG ARG 118 11.807 1.197 -11.524 1.00 0.00 ATOM 913 CD ARG 118 11.826 -0.056 -12.320 1.00 0.00 ATOM 914 NE ARG 118 12.713 -0.025 -13.472 1.00 0.00 ATOM 915 CZ ARG 118 12.409 0.538 -14.656 1.00 0.00 ATOM 916 NH1 ARG 118 11.232 1.085 -14.864 1.00 0.00 ATOM 917 NH2 ARG 118 13.319 0.506 -15.615 1.00 0.00 ATOM 918 O ARG 118 8.607 2.801 -8.790 1.00 0.00 ATOM 919 C ARG 118 9.728 2.407 -8.472 1.00 0.00 ATOM 920 N LEU 119 9.998 1.878 -7.282 1.00 0.00 ATOM 921 CA LEU 119 8.996 1.816 -6.226 1.00 0.00 ATOM 922 CB LEU 119 9.587 1.161 -4.972 1.00 0.00 ATOM 923 CG LEU 119 8.579 0.854 -3.857 1.00 0.00 ATOM 924 CD1 LEU 119 8.176 2.141 -3.149 1.00 0.00 ATOM 925 CD2 LEU 119 7.361 0.162 -4.449 1.00 0.00 ATOM 926 O LEU 119 7.275 3.363 -5.591 1.00 0.00 ATOM 927 C LEU 119 8.456 3.204 -5.897 1.00 0.00 ATOM 928 N ALA 120 9.308 4.214 -6.039 1.00 0.00 ATOM 929 CA ALA 120 8.912 5.592 -5.780 1.00 0.00 ATOM 930 CB ALA 120 10.081 6.383 -5.212 1.00 0.00 ATOM 931 O ALA 120 7.528 7.212 -6.908 1.00 0.00 ATOM 932 C ALA 120 8.183 6.171 -7.007 1.00 0.00 ATOM 933 N THR 121 8.284 5.502 -8.113 1.00 0.00 ATOM 934 CA THR 121 7.623 5.962 -9.339 1.00 0.00 ATOM 935 CB THR 121 8.151 5.187 -10.560 1.00 0.00 ATOM 936 CG2 THR 121 7.481 5.677 -11.834 1.00 0.00 ATOM 937 OG1 THR 121 9.569 5.368 -10.669 1.00 0.00 ATOM 938 O THR 121 5.540 4.866 -8.864 1.00 0.00 ATOM 939 C THR 121 6.101 5.867 -9.309 1.00 0.00 ATOM 940 N PRO 122 5.439 6.916 -9.785 1.00 0.00 ATOM 941 CA PRO 122 3.981 6.957 -9.806 1.00 0.00 ATOM 942 CB PRO 122 3.652 8.366 -10.328 1.00 0.00 ATOM 943 CG PRO 122 4.872 9.189 -10.019 1.00 0.00 ATOM 944 CD PRO 122 6.036 8.145 -10.324 1.00 0.00 ATOM 945 O PRO 122 3.968 5.567 -11.763 1.00 0.00 ATOM 946 C PRO 122 3.412 5.864 -10.705 1.00 0.00 ATOM 947 N GLY 123 2.282 5.298 -10.296 1.00 0.00 ATOM 948 CA GLY 123 1.585 4.306 -11.107 1.00 0.00 ATOM 949 O GLY 123 1.786 1.961 -11.587 1.00 0.00 ATOM 950 C GLY 123 2.231 2.931 -10.972 1.00 0.00 ATOM 951 N LEU 124 3.270 2.849 -10.148 1.00 0.00 ATOM 952 CA LEU 124 4.046 1.622 -10.014 1.00 0.00 ATOM 953 CB LEU 124 5.518 1.952 -9.735 1.00 0.00 ATOM 954 CG LEU 124 6.480 0.760 -9.808 1.00 0.00 ATOM 955 CD1 LEU 124 6.291 -0.140 -8.595 1.00 0.00 ATOM 956 CD2 LEU 124 6.235 -0.013 -11.096 1.00 0.00 ATOM 957 O LEU 124 3.756 -0.469 -8.868 1.00 0.00 ATOM 958 C LEU 124 3.483 0.731 -8.910 1.00 0.00 ATOM 959 N LEU 125 2.695 1.328 -8.021 1.00 0.00 ATOM 960 CA LEU 125 2.008 0.572 -6.979 1.00 0.00 ATOM 961 CB LEU 125 2.633 0.868 -5.611 1.00 0.00 ATOM 962 CG LEU 125 1.857 0.321 -4.406 1.00 0.00 ATOM 963 CD1 LEU 125 1.676 -1.185 -4.542 1.00 0.00 ATOM 964 CD2 LEU 125 2.601 0.661 -3.124 1.00 0.00 ATOM 965 O LEU 125 0.110 1.993 -6.594 1.00 0.00 ATOM 966 C LEU 125 0.517 0.890 -6.961 1.00 0.00 ATOM 967 N HIS 126 -0.301 -0.119 -7.242 1.00 0.00 ATOM 968 CA HIS 126 -1.742 0.075 -7.366 1.00 0.00 ATOM 969 CB HIS 126 -2.080 0.131 -8.902 1.00 0.00 ATOM 970 CG HIS 126 -3.472 0.561 -9.242 1.00 0.00 ATOM 971 CD2 HIS 126 -4.502 -0.117 -9.802 1.00 0.00 ATOM 972 ND1 HIS 126 -3.936 1.837 -9.007 1.00 0.00 ATOM 973 CE1 HIS 126 -5.191 1.929 -9.411 1.00 0.00 ATOM 974 NE2 HIS 126 -5.558 0.757 -9.898 1.00 0.00 ATOM 975 O HIS 126 -2.615 -1.990 -6.506 1.00 0.00 ATOM 976 C HIS 126 -2.500 -0.774 -6.351 1.00 0.00 TER END