PFRMAT TS TARGET T0275 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 created by sidechain replacement on our top template (1tq8A). METHOD The sidechains were repacked by SCWRL. METHOD METHOD The alignment was done with a 3-state HMM: METHOD T0275-1tq8A-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD METHOD REMARK 6 REMARK 6 T0275 model 4 Fri Aug 13 12:40:57 2004 MODEL 4 PARENT 1tq8_A ATOM 1 N MET 1 11.978 -19.585 -4.852 1.00 0.00 ATOM 2 CA MET 1 11.592 -18.419 -4.069 1.00 0.00 ATOM 3 CB MET 1 12.828 -17.736 -3.480 1.00 0.00 ATOM 4 CG MET 1 13.496 -18.520 -2.362 1.00 0.00 ATOM 5 SD MET 1 14.885 -17.638 -1.627 1.00 0.00 ATOM 6 CE MET 1 15.415 -18.813 -0.383 1.00 0.00 ATOM 7 O MET 1 10.973 -17.440 -6.176 1.00 0.00 ATOM 8 C MET 1 10.857 -17.415 -4.951 1.00 0.00 ATOM 9 N PHE 2 10.094 -16.535 -4.322 1.00 0.00 ATOM 10 CA PHE 2 9.358 -15.522 -5.057 1.00 0.00 ATOM 11 CB PHE 2 8.424 -14.754 -4.122 1.00 0.00 ATOM 12 CG PHE 2 7.248 -15.558 -3.645 1.00 0.00 ATOM 13 CD1 PHE 2 7.251 -16.137 -2.387 1.00 0.00 ATOM 14 CD2 PHE 2 6.139 -15.735 -4.453 1.00 0.00 ATOM 15 CE1 PHE 2 6.170 -16.876 -1.949 1.00 0.00 ATOM 16 CE2 PHE 2 5.057 -16.476 -4.014 1.00 0.00 ATOM 17 CZ PHE 2 5.070 -17.045 -2.768 1.00 0.00 ATOM 18 O PHE 2 11.260 -14.078 -5.025 1.00 0.00 ATOM 19 C PHE 2 10.342 -14.546 -5.690 1.00 0.00 ATOM 20 N LYS 3 10.143 -14.234 -6.963 1.00 0.00 ATOM 21 CA LYS 3 11.027 -13.307 -7.645 1.00 0.00 ATOM 22 CB LYS 3 11.268 -13.758 -9.086 1.00 0.00 ATOM 23 CG LYS 3 12.087 -15.032 -9.210 1.00 0.00 ATOM 24 CD LYS 3 12.336 -15.389 -10.667 1.00 0.00 ATOM 25 CE LYS 3 13.092 -16.701 -10.792 1.00 0.00 ATOM 26 NZ LYS 3 13.136 -17.185 -12.200 1.00 0.00 ATOM 27 O LYS 3 11.274 -10.931 -7.600 1.00 0.00 ATOM 28 C LYS 3 10.498 -11.877 -7.722 1.00 0.00 ATOM 29 N THR 4 9.193 -11.715 -7.927 1.00 0.00 ATOM 30 CA THR 4 8.597 -10.378 -8.040 1.00 0.00 ATOM 31 CB THR 4 8.011 -10.138 -9.444 1.00 0.00 ATOM 32 CG2 THR 4 7.438 -8.734 -9.549 1.00 0.00 ATOM 33 OG1 THR 4 9.041 -10.294 -10.428 1.00 0.00 ATOM 34 O THR 4 6.349 -10.613 -7.252 1.00 0.00 ATOM 35 C THR 4 7.465 -10.148 -7.051 1.00 0.00 ATOM 36 N ILE 5 7.768 -9.405 -5.991 1.00 0.00 ATOM 37 CA ILE 5 6.821 -9.109 -4.927 1.00 0.00 ATOM 38 CB ILE 5 7.485 -9.198 -3.540 1.00 0.00 ATOM 39 CG1 ILE 5 8.001 -10.616 -3.288 1.00 0.00 ATOM 40 CG2 ILE 5 6.486 -8.847 -2.449 1.00 0.00 ATOM 41 CD1 ILE 5 8.876 -10.737 -2.057 1.00 0.00 ATOM 42 O ILE 5 6.928 -6.720 -5.178 1.00 0.00 ATOM 43 C ILE 5 6.212 -7.712 -5.015 1.00 0.00 ATOM 44 N LEU 6 4.887 -7.636 -4.901 1.00 0.00 ATOM 45 CA LEU 6 4.204 -6.351 -4.916 1.00 0.00 ATOM 46 CB LEU 6 3.180 -6.300 -6.051 1.00 0.00 ATOM 47 CG LEU 6 2.338 -5.027 -6.150 1.00 0.00 ATOM 48 CD1 LEU 6 3.208 -3.833 -6.514 1.00 0.00 ATOM 49 CD2 LEU 6 1.262 -5.175 -7.215 1.00 0.00 ATOM 50 O LEU 6 2.801 -7.113 -3.138 1.00 0.00 ATOM 51 C LEU 6 3.506 -6.207 -3.570 1.00 0.00 ATOM 52 N LEU 7 3.733 -5.088 -2.890 1.00 0.00 ATOM 53 CA LEU 7 3.107 -4.841 -1.598 1.00 0.00 ATOM 54 CB LEU 7 4.157 -4.833 -0.486 1.00 0.00 ATOM 55 CG LEU 7 3.649 -4.523 0.923 1.00 0.00 ATOM 56 CD1 LEU 7 2.789 -5.663 1.448 1.00 0.00 ATOM 57 CD2 LEU 7 4.812 -4.325 1.882 1.00 0.00 ATOM 58 O LEU 7 2.938 -2.568 -2.267 1.00 0.00 ATOM 59 C LEU 7 2.422 -3.498 -1.660 1.00 0.00 ATOM 60 N ALA 8 1.256 -3.395 -1.027 1.00 0.00 ATOM 61 CA ALA 8 0.518 -2.144 -1.033 1.00 0.00 ATOM 62 CB ALA 8 -0.954 -2.399 -1.319 1.00 0.00 ATOM 63 O ALA 8 0.680 -2.085 1.344 1.00 0.00 ATOM 64 C ALA 8 0.622 -1.438 0.299 1.00 0.00 ATOM 65 N TYR 9 0.667 -0.112 0.278 1.00 0.00 ATOM 66 CA TYR 9 0.739 0.648 1.517 1.00 0.00 ATOM 67 CB TYR 9 2.197 0.891 1.912 1.00 0.00 ATOM 68 CG TYR 9 2.959 1.763 0.940 1.00 0.00 ATOM 69 CD1 TYR 9 3.003 3.142 1.107 1.00 0.00 ATOM 70 CD2 TYR 9 3.628 1.207 -0.142 1.00 0.00 ATOM 71 CE1 TYR 9 3.697 3.947 0.223 1.00 0.00 ATOM 72 CE2 TYR 9 4.326 1.996 -1.035 1.00 0.00 ATOM 73 CZ TYR 9 4.356 3.377 -0.845 1.00 0.00 ATOM 74 OH TYR 9 5.047 4.177 -1.726 1.00 0.00 ATOM 75 O TYR 9 0.175 2.685 0.386 1.00 0.00 ATOM 76 C TYR 9 0.069 2.003 1.410 1.00 0.00 ATOM 77 N ASP 10 -0.617 2.389 2.480 1.00 0.00 ATOM 78 CA ASP 10 -1.282 3.681 2.531 1.00 0.00 ATOM 79 CB ASP 10 -2.723 3.523 3.024 1.00 0.00 ATOM 80 CG ASP 10 -2.800 2.953 4.426 1.00 0.00 ATOM 81 OD1 ASP 10 -1.735 2.647 5.002 1.00 0.00 ATOM 82 OD2 ASP 10 -3.925 2.812 4.949 1.00 0.00 ATOM 83 O ASP 10 -0.911 5.687 3.807 1.00 0.00 ATOM 84 C ASP 10 -0.500 4.571 3.497 1.00 0.00 ATOM 85 N GLY 11 0.639 4.065 3.962 1.00 0.00 ATOM 86 CA GLY 11 1.473 4.833 4.869 1.00 0.00 ATOM 87 O GLY 11 1.896 5.199 7.188 1.00 0.00 ATOM 88 C GLY 11 1.196 4.636 6.348 1.00 0.00 ATOM 89 N SER 12 0.184 3.840 6.672 1.00 0.00 ATOM 90 CA SER 12 -0.175 3.575 8.063 1.00 0.00 ATOM 91 CB SER 12 -1.536 2.881 8.143 1.00 0.00 ATOM 92 OG SER 12 -1.472 1.572 7.605 1.00 0.00 ATOM 93 O SER 12 1.835 2.293 8.026 1.00 0.00 ATOM 94 C SER 12 0.875 2.679 8.686 1.00 0.00 ATOM 95 N GLU 13 0.676 2.334 9.955 1.00 0.00 ATOM 96 CA GLU 13 1.609 1.469 10.660 1.00 0.00 ATOM 97 CB GLU 13 1.403 1.576 12.172 1.00 0.00 ATOM 98 CG GLU 13 1.785 2.927 12.756 1.00 0.00 ATOM 99 CD GLU 13 1.508 3.018 14.244 1.00 0.00 ATOM 100 OE1 GLU 13 0.961 2.046 14.807 1.00 0.00 ATOM 101 OE2 GLU 13 1.837 4.061 14.846 1.00 0.00 ATOM 102 O GLU 13 2.397 -0.733 10.149 1.00 0.00 ATOM 103 C GLU 13 1.423 0.012 10.265 1.00 0.00 ATOM 104 N HIS 14 0.179 -0.404 10.054 1.00 0.00 ATOM 105 CA HIS 14 -0.061 -1.783 9.652 1.00 0.00 ATOM 106 CB HIS 14 -1.564 -2.057 9.554 1.00 0.00 ATOM 107 CG HIS 14 -2.248 -2.149 10.882 1.00 0.00 ATOM 108 CD2 HIS 14 -3.278 -1.385 11.574 1.00 0.00 ATOM 109 ND1 HIS 14 -1.960 -3.132 11.803 1.00 0.00 ATOM 110 CE1 HIS 14 -2.731 -2.954 12.890 1.00 0.00 ATOM 111 NE2 HIS 14 -3.524 -1.908 12.761 1.00 0.00 ATOM 112 O HIS 14 1.279 -2.968 8.066 1.00 0.00 ATOM 113 C HIS 14 0.592 -1.974 8.300 1.00 0.00 ATOM 114 N ALA 15 0.378 -1.017 7.402 1.00 0.00 ATOM 115 CA ALA 15 0.961 -1.141 6.076 1.00 0.00 ATOM 116 CB ALA 15 0.628 0.080 5.233 1.00 0.00 ATOM 117 O ALA 15 3.077 -2.147 5.543 1.00 0.00 ATOM 118 C ALA 15 2.479 -1.263 6.166 1.00 0.00 ATOM 119 N ARG 16 3.103 -0.405 6.965 1.00 0.00 ATOM 120 CA ARG 16 4.551 -0.466 7.092 1.00 0.00 ATOM 121 CB ARG 16 5.045 0.577 8.097 1.00 0.00 ATOM 122 CG ARG 16 4.938 2.011 7.607 1.00 0.00 ATOM 123 CD ARG 16 5.363 2.995 8.683 1.00 0.00 ATOM 124 NE ARG 16 5.243 4.381 8.236 1.00 0.00 ATOM 125 CZ ARG 16 5.445 5.439 9.015 1.00 0.00 ATOM 126 NH1 ARG 16 5.314 6.662 8.521 1.00 0.00 ATOM 127 NH2 ARG 16 5.780 5.271 10.287 1.00 0.00 ATOM 128 O ARG 16 6.093 -2.293 7.197 1.00 0.00 ATOM 129 C ARG 16 5.017 -1.836 7.575 1.00 0.00 ATOM 130 N ARG 17 4.214 -2.507 8.392 1.00 0.00 ATOM 131 CA ARG 17 4.603 -3.835 8.839 1.00 0.00 ATOM 132 CB ARG 17 3.661 -4.327 9.940 1.00 0.00 ATOM 133 CG ARG 17 3.824 -3.602 11.267 1.00 0.00 ATOM 134 CD ARG 17 2.804 -4.083 12.287 1.00 0.00 ATOM 135 NE ARG 17 2.940 -3.387 13.565 1.00 0.00 ATOM 136 CZ ARG 17 2.096 -3.522 14.581 1.00 0.00 ATOM 137 NH1 ARG 17 2.300 -2.850 15.706 1.00 0.00 ATOM 138 NH2 ARG 17 1.049 -4.329 14.472 1.00 0.00 ATOM 139 O ARG 17 5.292 -5.745 7.579 1.00 0.00 ATOM 140 C ARG 17 4.533 -4.784 7.652 1.00 0.00 ATOM 141 N ALA 18 3.627 -4.518 6.716 1.00 0.00 ATOM 142 CA ALA 18 3.509 -5.388 5.548 1.00 0.00 ATOM 143 CB ALA 18 2.207 -5.114 4.813 1.00 0.00 ATOM 144 O ALA 18 5.120 -5.991 3.867 1.00 0.00 ATOM 145 C ALA 18 4.684 -5.115 4.612 1.00 0.00 ATOM 146 N ALA 19 5.193 -3.890 4.661 1.00 0.00 ATOM 147 CA ALA 19 6.336 -3.517 3.844 1.00 0.00 ATOM 148 CB ALA 19 6.578 -2.018 3.923 1.00 0.00 ATOM 149 O ALA 19 8.310 -4.856 3.603 1.00 0.00 ATOM 150 C ALA 19 7.557 -4.269 4.375 1.00 0.00 ATOM 151 N GLU 20 7.735 -4.266 5.695 1.00 0.00 ATOM 152 CA GLU 20 8.861 -4.963 6.306 1.00 0.00 ATOM 153 CB GLU 20 8.815 -4.823 7.829 1.00 0.00 ATOM 154 CG GLU 20 9.980 -5.483 8.549 1.00 0.00 ATOM 155 CD GLU 20 9.919 -5.294 10.052 1.00 0.00 ATOM 156 OE1 GLU 20 8.971 -4.635 10.529 1.00 0.00 ATOM 157 OE2 GLU 20 10.818 -5.804 10.752 1.00 0.00 ATOM 158 O GLU 20 9.822 -7.031 5.564 1.00 0.00 ATOM 159 C GLU 20 8.810 -6.445 5.950 1.00 0.00 ATOM 160 N VAL 21 7.638 -7.057 6.072 1.00 0.00 ATOM 161 CA VAL 21 7.524 -8.475 5.753 1.00 0.00 ATOM 162 CB VAL 21 6.118 -9.015 6.074 1.00 0.00 ATOM 163 CG1 VAL 21 5.959 -10.435 5.550 1.00 0.00 ATOM 164 CG2 VAL 21 5.882 -9.027 7.576 1.00 0.00 ATOM 165 O VAL 21 8.446 -9.701 3.923 1.00 0.00 ATOM 166 C VAL 21 7.787 -8.729 4.273 1.00 0.00 ATOM 167 N ALA 22 7.279 -7.856 3.405 1.00 0.00 ATOM 168 CA ALA 22 7.492 -8.029 1.970 1.00 0.00 ATOM 169 CB ALA 22 6.693 -6.996 1.187 1.00 0.00 ATOM 170 O ALA 22 9.517 -8.541 0.767 1.00 0.00 ATOM 171 C ALA 22 8.973 -7.858 1.639 1.00 0.00 ATOM 172 N LYS 23 9.620 -6.932 2.341 1.00 0.00 ATOM 173 CA LYS 23 11.043 -6.675 2.135 1.00 0.00 ATOM 174 CB LYS 23 11.498 -5.477 2.972 1.00 0.00 ATOM 175 CG LYS 23 10.893 -4.152 2.537 1.00 0.00 ATOM 176 CD LYS 23 11.550 -2.984 3.253 1.00 0.00 ATOM 177 CE LYS 23 11.135 -2.927 4.714 1.00 0.00 ATOM 178 NZ LYS 23 9.673 -2.688 4.867 1.00 0.00 ATOM 179 O LYS 23 12.772 -8.322 1.847 1.00 0.00 ATOM 180 C LYS 23 11.847 -7.904 2.553 1.00 0.00 ATOM 181 N ALA 24 11.474 -8.482 3.694 1.00 0.00 ATOM 182 CA ALA 24 12.137 -9.669 4.225 1.00 0.00 ATOM 183 CB ALA 24 11.488 -10.098 5.531 1.00 0.00 ATOM 184 O ALA 24 12.945 -11.654 3.189 1.00 0.00 ATOM 185 C ALA 24 12.048 -10.828 3.250 1.00 0.00 ATOM 186 N GLU 25 10.966 -10.881 2.482 1.00 0.00 ATOM 187 CA GLU 25 10.770 -11.960 1.526 1.00 0.00 ATOM 188 CB GLU 25 9.283 -12.139 1.218 1.00 0.00 ATOM 189 CG GLU 25 8.463 -12.656 2.390 1.00 0.00 ATOM 190 CD GLU 25 6.985 -12.760 2.067 1.00 0.00 ATOM 191 OE1 GLU 25 6.594 -12.372 0.947 1.00 0.00 ATOM 192 OE2 GLU 25 6.220 -13.231 2.934 1.00 0.00 ATOM 193 O GLU 25 11.983 -12.599 -0.431 1.00 0.00 ATOM 194 C GLU 25 11.487 -11.684 0.216 1.00 0.00 ATOM 195 N ALA 26 11.524 -10.421 -0.187 1.00 0.00 ATOM 196 CA ALA 26 12.173 -10.067 -1.441 1.00 0.00 ATOM 197 CB ALA 26 11.837 -8.636 -1.827 1.00 0.00 ATOM 198 O ALA 26 14.377 -10.641 -2.219 1.00 0.00 ATOM 199 C ALA 26 13.688 -10.192 -1.303 1.00 0.00 ATOM 203 N ALA 28 14.195 -9.782 -0.148 1.00 0.00 ATOM 204 CA ALA 28 15.621 -9.868 0.111 1.00 0.00 ATOM 205 CB ALA 28 16.083 -11.317 0.051 1.00 0.00 ATOM 206 O ALA 28 16.324 -7.929 -1.116 1.00 0.00 ATOM 207 C ALA 28 16.522 -9.118 -0.849 1.00 0.00 ATOM 208 N HIS 29 17.514 -9.820 -1.382 1.00 0.00 ATOM 209 CA HIS 29 18.460 -9.194 -2.287 1.00 0.00 ATOM 210 CB HIS 29 19.888 -9.351 -1.761 1.00 0.00 ATOM 211 CG HIS 29 20.107 -8.732 -0.416 1.00 0.00 ATOM 212 CD2 HIS 29 20.379 -9.231 0.924 1.00 0.00 ATOM 213 ND1 HIS 29 20.079 -7.370 -0.209 1.00 0.00 ATOM 214 CE1 HIS 29 20.308 -7.120 1.091 1.00 0.00 ATOM 215 NE2 HIS 29 20.488 -8.232 1.778 1.00 0.00 ATOM 216 O HIS 29 19.148 -9.284 -4.573 1.00 0.00 ATOM 217 C HIS 29 18.449 -9.775 -3.688 1.00 0.00 ATOM 218 N GLY 30 17.651 -10.814 -3.893 1.00 0.00 ATOM 219 CA GLY 30 17.589 -11.438 -5.203 1.00 0.00 ATOM 220 O GLY 30 16.081 -11.603 -7.061 1.00 0.00 ATOM 221 C GLY 30 16.242 -11.257 -5.889 1.00 0.00 ATOM 222 N ALA 31 15.273 -10.706 -5.170 1.00 0.00 ATOM 223 CA ALA 31 13.960 -10.501 -5.758 1.00 0.00 ATOM 224 CB ALA 31 12.886 -11.137 -4.890 1.00 0.00 ATOM 225 O ALA 31 14.162 -8.181 -5.186 1.00 0.00 ATOM 226 C ALA 31 13.627 -9.030 -5.900 1.00 0.00 ATOM 227 N ARG 32 12.736 -8.741 -6.839 1.00 0.00 ATOM 228 CA ARG 32 12.284 -7.381 -7.088 1.00 0.00 ATOM 229 CB ARG 32 11.874 -7.213 -8.552 1.00 0.00 ATOM 230 CG ARG 32 11.414 -5.809 -8.910 1.00 0.00 ATOM 231 CD ARG 32 11.028 -5.712 -10.377 1.00 0.00 ATOM 232 NE ARG 32 10.515 -4.387 -10.720 1.00 0.00 ATOM 233 CZ ARG 32 9.973 -4.078 -11.895 1.00 0.00 ATOM 234 NH1 ARG 32 9.534 -2.847 -12.117 1.00 0.00 ATOM 235 NH2 ARG 32 9.872 -5.000 -12.841 1.00 0.00 ATOM 236 O ARG 32 10.164 -7.893 -6.068 1.00 0.00 ATOM 237 C ARG 32 11.081 -7.079 -6.192 1.00 0.00 ATOM 238 N LEU 33 11.108 -5.913 -5.554 1.00 0.00 ATOM 239 CA LEU 33 10.035 -5.467 -4.669 1.00 0.00 ATOM 240 CB LEU 33 10.584 -5.154 -3.276 1.00 0.00 ATOM 241 CG LEU 33 9.579 -4.615 -2.257 1.00 0.00 ATOM 242 CD1 LEU 33 8.510 -5.654 -1.953 1.00 0.00 ATOM 243 CD2 LEU 33 10.274 -4.254 -0.954 1.00 0.00 ATOM 244 O LEU 33 10.027 -3.175 -5.349 1.00 0.00 ATOM 245 C LEU 33 9.378 -4.208 -5.221 1.00 0.00 ATOM 246 N ILE 34 8.093 -4.288 -5.549 1.00 0.00 ATOM 247 CA ILE 34 7.384 -3.122 -6.059 1.00 0.00 ATOM 248 CB ILE 34 6.567 -3.465 -7.320 1.00 0.00 ATOM 249 CG1 ILE 34 7.490 -3.967 -8.433 1.00 0.00 ATOM 250 CG2 ILE 34 5.826 -2.239 -7.824 1.00 0.00 ATOM 251 CD1 ILE 34 6.755 -4.526 -9.630 1.00 0.00 ATOM 252 O ILE 34 5.614 -3.404 -4.493 1.00 0.00 ATOM 253 C ILE 34 6.449 -2.640 -4.972 1.00 0.00 ATOM 254 N VAL 35 6.603 -1.384 -4.570 1.00 0.00 ATOM 255 CA VAL 35 5.756 -0.816 -3.529 1.00 0.00 ATOM 256 CB VAL 35 6.568 0.056 -2.553 1.00 0.00 ATOM 257 CG1 VAL 35 5.656 0.668 -1.501 1.00 0.00 ATOM 258 CG2 VAL 35 7.625 -0.779 -1.848 1.00 0.00 ATOM 259 O VAL 35 4.979 1.019 -4.842 1.00 0.00 ATOM 260 C VAL 35 4.680 0.047 -4.146 1.00 0.00 ATOM 261 N VAL 36 3.426 -0.293 -3.872 1.00 0.00 ATOM 262 CA VAL 36 2.303 0.447 -4.437 1.00 0.00 ATOM 263 CB VAL 36 1.352 -0.480 -5.217 1.00 0.00 ATOM 264 CG1 VAL 36 2.071 -1.106 -6.401 1.00 0.00 ATOM 265 CG2 VAL 36 0.841 -1.596 -4.319 1.00 0.00 ATOM 266 O VAL 36 1.348 0.719 -2.252 1.00 0.00 ATOM 267 C VAL 36 1.445 1.153 -3.404 1.00 0.00 ATOM 268 N HIS 37 0.819 2.243 -3.838 1.00 0.00 ATOM 269 CA HIS 37 -0.076 3.015 -2.989 1.00 0.00 ATOM 270 CB HIS 37 0.687 4.140 -2.288 1.00 0.00 ATOM 271 CG HIS 37 -0.141 4.914 -1.310 1.00 0.00 ATOM 272 CD2 HIS 37 -1.351 4.658 -0.541 1.00 0.00 ATOM 273 ND1 HIS 37 0.169 6.200 -0.926 1.00 0.00 ATOM 274 CE1 HIS 37 -0.752 6.629 -0.045 1.00 0.00 ATOM 275 NE2 HIS 37 -1.666 5.708 0.191 1.00 0.00 ATOM 276 O HIS 37 -0.909 4.162 -4.924 1.00 0.00 ATOM 277 C HIS 37 -1.174 3.614 -3.853 1.00 0.00 ATOM 278 N ALA 38 -2.410 3.506 -3.387 1.00 0.00 ATOM 279 CA ALA 38 -3.539 4.028 -4.138 1.00 0.00 ATOM 280 CB ALA 38 -4.842 3.456 -3.603 1.00 0.00 ATOM 281 O ALA 38 -3.460 6.103 -2.949 1.00 0.00 ATOM 282 C ALA 38 -3.600 5.535 -4.031 1.00 0.00 ATOM 283 N TYR 39 -3.780 6.185 -5.169 1.00 0.00 ATOM 284 CA TYR 39 -3.906 7.632 -5.180 1.00 0.00 ATOM 285 CB TYR 39 -3.391 8.204 -6.502 1.00 0.00 ATOM 286 CG TYR 39 -3.483 9.711 -6.596 1.00 0.00 ATOM 287 CD1 TYR 39 -2.581 10.521 -5.917 1.00 0.00 ATOM 288 CD2 TYR 39 -4.471 10.318 -7.360 1.00 0.00 ATOM 289 CE1 TYR 39 -2.657 11.899 -5.996 1.00 0.00 ATOM 290 CE2 TYR 39 -4.561 11.694 -7.451 1.00 0.00 ATOM 291 CZ TYR 39 -3.643 12.483 -6.760 1.00 0.00 ATOM 292 OH TYR 39 -3.722 13.855 -6.840 1.00 0.00 ATOM 293 O TYR 39 -6.212 7.376 -5.754 1.00 0.00 ATOM 294 C TYR 39 -5.393 7.901 -5.007 1.00 0.00 ATOM 295 N GLU 40 -5.744 8.712 -4.021 1.00 0.00 ATOM 296 CA GLU 40 -7.146 9.011 -3.774 1.00 0.00 ATOM 297 CB GLU 40 -7.426 9.059 -2.271 1.00 0.00 ATOM 298 CG GLU 40 -7.308 7.713 -1.573 1.00 0.00 ATOM 299 CD GLU 40 -7.329 7.835 -0.063 1.00 0.00 ATOM 300 OE1 GLU 40 -7.401 8.976 0.440 1.00 0.00 ATOM 301 OE2 GLU 40 -7.275 6.791 0.619 1.00 0.00 ATOM 302 O GLU 40 -8.406 10.412 -5.278 1.00 0.00 ATOM 303 C GLU 40 -7.572 10.364 -4.364 1.00 0.00 ATOM 307 N PRO 49 2.551 15.620 -5.107 1.00 0.00 ATOM 308 CA PRO 49 1.525 14.872 -4.388 1.00 0.00 ATOM 309 CB PRO 49 0.980 13.894 -5.432 1.00 0.00 ATOM 310 CG PRO 49 1.267 14.548 -6.741 1.00 0.00 ATOM 311 CD PRO 49 2.594 15.235 -6.584 1.00 0.00 ATOM 312 O PRO 49 3.161 13.517 -3.265 1.00 0.00 ATOM 313 C PRO 49 2.098 14.125 -3.179 1.00 0.00 ATOM 314 N PHE 50 1.395 14.180 -2.032 1.00 0.00 ATOM 315 CA PHE 50 1.754 13.537 -0.758 1.00 0.00 ATOM 316 CB PHE 50 0.644 13.737 0.275 1.00 0.00 ATOM 317 CG PHE 50 0.579 15.131 0.835 1.00 0.00 ATOM 318 CD1 PHE 50 -0.383 16.022 0.396 1.00 0.00 ATOM 319 CD2 PHE 50 1.481 15.548 1.797 1.00 0.00 ATOM 320 CE1 PHE 50 -0.442 17.305 0.909 1.00 0.00 ATOM 321 CE2 PHE 50 1.421 16.830 2.310 1.00 0.00 ATOM 322 CZ PHE 50 0.464 17.706 1.871 1.00 0.00 ATOM 323 O PHE 50 2.658 11.424 -0.050 1.00 0.00 ATOM 324 C PHE 50 1.980 12.036 -0.883 1.00 0.00 ATOM 328 N LEU 59 1.401 11.431 -1.913 1.00 0.00 ATOM 329 CA LEU 59 1.574 9.999 -2.093 1.00 0.00 ATOM 330 CB LEU 59 0.751 9.506 -3.285 1.00 0.00 ATOM 331 CG LEU 59 -0.770 9.538 -3.118 1.00 0.00 ATOM 332 CD1 LEU 59 -1.462 9.183 -4.425 1.00 0.00 ATOM 333 CD2 LEU 59 -1.216 8.543 -2.059 1.00 0.00 ATOM 334 O LEU 59 3.525 8.596 -1.945 1.00 0.00 ATOM 335 C LEU 59 3.051 9.656 -2.352 1.00 0.00 ATOM 336 N GLU 60 3.788 10.564 -2.987 1.00 0.00 ATOM 337 CA GLU 60 5.200 10.310 -3.256 1.00 0.00 ATOM 338 CB GLU 60 5.779 11.405 -4.154 1.00 0.00 ATOM 339 CG GLU 60 5.265 11.370 -5.585 1.00 0.00 ATOM 340 CD GLU 60 5.789 12.521 -6.421 1.00 0.00 ATOM 341 OE1 GLU 60 6.503 13.381 -5.865 1.00 0.00 ATOM 342 OE2 GLU 60 5.485 12.562 -7.633 1.00 0.00 ATOM 343 O GLU 60 7.077 9.548 -1.955 1.00 0.00 ATOM 344 C GLU 60 6.074 10.269 -1.997 1.00 0.00 ATOM 345 N ARG 61 5.690 11.014 -0.963 1.00 0.00 ATOM 346 CA ARG 61 6.446 11.008 0.287 1.00 0.00 ATOM 347 CB ARG 61 5.955 12.120 1.216 1.00 0.00 ATOM 348 CG ARG 61 6.327 13.521 0.758 1.00 0.00 ATOM 349 CD ARG 61 5.741 14.578 1.682 1.00 0.00 ATOM 350 NE ARG 61 6.085 15.931 1.253 1.00 0.00 ATOM 351 CZ ARG 61 5.638 17.036 1.838 1.00 0.00 ATOM 352 NH1 ARG 61 6.004 18.225 1.378 1.00 0.00 ATOM 353 NH2 ARG 61 4.824 16.952 2.882 1.00 0.00 ATOM 354 O ARG 61 7.184 9.042 1.464 1.00 0.00 ATOM 355 C ARG 61 6.242 9.653 0.954 1.00 0.00 ATOM 356 N ALA 62 4.995 9.191 0.941 1.00 0.00 ATOM 357 CA ALA 62 4.643 7.897 1.498 1.00 0.00 ATOM 358 CB ALA 62 3.148 7.653 1.370 1.00 0.00 ATOM 359 O ALA 62 5.952 5.898 1.321 1.00 0.00 ATOM 360 C ALA 62 5.405 6.820 0.730 1.00 0.00 ATOM 361 N GLU 63 5.452 6.932 -0.589 1.00 0.00 ATOM 362 CA GLU 63 6.162 5.929 -1.361 1.00 0.00 ATOM 363 CB GLU 63 5.987 6.182 -2.860 1.00 0.00 ATOM 364 CG GLU 63 4.575 5.939 -3.369 1.00 0.00 ATOM 365 CD GLU 63 4.442 6.187 -4.857 1.00 0.00 ATOM 366 OE1 GLU 63 4.870 7.265 -5.322 1.00 0.00 ATOM 367 OE2 GLU 63 3.910 5.304 -5.562 1.00 0.00 ATOM 368 O GLU 63 8.275 4.930 -0.826 1.00 0.00 ATOM 369 C GLU 63 7.645 5.970 -1.033 1.00 0.00 ATOM 370 N GLY 64 8.193 7.179 -0.967 1.00 0.00 ATOM 371 CA GLY 64 9.611 7.364 -0.651 1.00 0.00 ATOM 372 O GLY 64 10.903 5.959 0.824 1.00 0.00 ATOM 373 C GLY 64 9.945 6.723 0.703 1.00 0.00 ATOM 374 N VAL 65 9.147 7.028 1.720 1.00 0.00 ATOM 375 CA VAL 65 9.398 6.461 3.028 1.00 0.00 ATOM 376 CB VAL 65 8.396 6.988 4.073 1.00 0.00 ATOM 377 CG1 VAL 65 8.550 6.234 5.385 1.00 0.00 ATOM 378 CG2 VAL 65 8.633 8.467 4.337 1.00 0.00 ATOM 379 O VAL 65 10.081 4.240 3.621 1.00 0.00 ATOM 380 C VAL 65 9.277 4.941 3.000 1.00 0.00 ATOM 381 N LEU 66 8.288 4.419 2.280 1.00 0.00 ATOM 382 CA LEU 66 8.127 2.972 2.210 1.00 0.00 ATOM 383 CB LEU 66 6.906 2.610 1.361 1.00 0.00 ATOM 384 CG LEU 66 6.604 1.117 1.213 1.00 0.00 ATOM 385 CD1 LEU 66 6.317 0.489 2.567 1.00 0.00 ATOM 386 CD2 LEU 66 5.390 0.901 0.322 1.00 0.00 ATOM 387 O LEU 66 9.836 1.314 1.992 1.00 0.00 ATOM 388 C LEU 66 9.369 2.366 1.583 1.00 0.00 ATOM 389 N GLU 67 9.894 3.037 0.572 1.00 0.00 ATOM 390 CA GLU 67 11.079 2.558 -0.106 1.00 0.00 ATOM 391 CB GLU 67 11.418 3.460 -1.295 1.00 0.00 ATOM 392 CG GLU 67 10.446 3.348 -2.457 1.00 0.00 ATOM 393 CD GLU 67 10.742 4.342 -3.563 1.00 0.00 ATOM 394 OE1 GLU 67 11.662 5.169 -3.387 1.00 0.00 ATOM 395 OE2 GLU 67 10.054 4.295 -4.603 1.00 0.00 ATOM 396 O GLU 67 13.054 1.627 0.885 1.00 0.00 ATOM 397 C GLU 67 12.252 2.558 0.874 1.00 0.00 ATOM 398 N GLU 68 12.339 3.586 1.717 1.00 0.00 ATOM 399 CA GLU 68 13.430 3.659 2.690 1.00 0.00 ATOM 400 CB GLU 68 13.380 4.985 3.453 1.00 0.00 ATOM 401 CG GLU 68 13.757 6.197 2.617 1.00 0.00 ATOM 402 CD GLU 68 13.578 7.501 3.368 1.00 0.00 ATOM 403 OE1 GLU 68 13.089 7.463 4.516 1.00 0.00 ATOM 404 OE2 GLU 68 13.927 8.562 2.807 1.00 0.00 ATOM 405 O GLU 68 14.340 1.919 4.057 1.00 0.00 ATOM 406 C GLU 68 13.336 2.531 3.699 1.00 0.00 ATOM 407 N ALA 69 12.126 2.246 4.157 1.00 0.00 ATOM 408 CA ALA 69 11.964 1.182 5.124 1.00 0.00 ATOM 409 CB ALA 69 10.547 1.177 5.675 1.00 0.00 ATOM 410 O ALA 69 12.796 -1.061 5.135 1.00 0.00 ATOM 411 C ALA 69 12.234 -0.179 4.493 1.00 0.00 ATOM 412 N ARG 70 11.853 -0.357 3.233 1.00 0.00 ATOM 413 CA ARG 70 12.106 -1.636 2.575 1.00 0.00 ATOM 414 CB ARG 70 11.610 -1.601 1.128 1.00 0.00 ATOM 415 CG ARG 70 10.097 -1.566 0.992 1.00 0.00 ATOM 416 CD ARG 70 9.675 -1.526 -0.468 1.00 0.00 ATOM 417 NE ARG 70 8.228 -1.378 -0.616 1.00 0.00 ATOM 418 CZ ARG 70 7.360 -2.377 -0.493 1.00 0.00 ATOM 419 NH1 ARG 70 6.062 -2.149 -0.644 1.00 0.00 ATOM 420 NH2 ARG 70 7.791 -3.601 -0.218 1.00 0.00 ATOM 421 O ARG 70 14.041 -3.024 2.929 1.00 0.00 ATOM 422 C ARG 70 13.612 -1.920 2.579 1.00 0.00 ATOM 423 N ALA 71 14.409 -0.925 2.196 1.00 0.00 ATOM 424 CA ALA 71 15.864 -1.088 2.176 1.00 0.00 ATOM 425 CB ALA 71 16.539 0.215 1.773 1.00 0.00 ATOM 426 O ALA 71 17.081 -2.490 3.696 1.00 0.00 ATOM 427 C ALA 71 16.381 -1.491 3.563 1.00 0.00 ATOM 428 N LEU 72 16.011 -0.742 4.594 1.00 0.00 ATOM 429 CA LEU 72 16.461 -1.065 5.940 1.00 0.00 ATOM 430 CB LEU 72 15.889 -0.067 6.949 1.00 0.00 ATOM 431 CG LEU 72 16.392 1.374 6.836 1.00 0.00 ATOM 432 CD1 LEU 72 15.656 2.278 7.814 1.00 0.00 ATOM 433 CD2 LEU 72 17.880 1.450 7.145 1.00 0.00 ATOM 434 O LEU 72 16.429 -2.912 7.449 1.00 0.00 ATOM 435 C LEU 72 16.032 -2.448 6.384 1.00 0.00 ATOM 436 N THR 73 15.213 -3.112 5.581 1.00 0.00 ATOM 437 CA THR 73 14.761 -4.444 5.940 1.00 0.00 ATOM 438 CB THR 73 13.246 -4.605 5.719 1.00 0.00 ATOM 439 CG2 THR 73 12.473 -3.631 6.595 1.00 0.00 ATOM 440 OG1 THR 73 12.931 -4.344 4.345 1.00 0.00 ATOM 441 O THR 73 15.090 -6.663 5.098 1.00 0.00 ATOM 442 C THR 73 15.471 -5.494 5.097 1.00 0.00 ATOM 443 N GLY 74 16.499 -5.074 4.367 1.00 0.00 ATOM 444 CA GLY 74 17.251 -6.015 3.555 1.00 0.00 ATOM 445 O GLY 74 17.580 -6.754 1.314 1.00 0.00 ATOM 446 C GLY 74 16.886 -6.089 2.086 1.00 0.00 ATOM 447 N VAL 75 15.802 -5.426 1.692 1.00 0.00 ATOM 448 CA VAL 75 15.379 -5.429 0.301 1.00 0.00 ATOM 449 CB VAL 75 13.949 -4.875 0.144 1.00 0.00 ATOM 450 CG1 VAL 75 13.559 -4.815 -1.325 1.00 0.00 ATOM 451 CG2 VAL 75 12.951 -5.764 0.870 1.00 0.00 ATOM 452 O VAL 75 16.469 -3.361 -0.220 1.00 0.00 ATOM 453 C VAL 75 16.341 -4.553 -0.496 1.00 0.00 ATOM 454 N PRO 76 17.013 -5.140 -1.481 1.00 0.00 ATOM 455 CA PRO 76 17.978 -4.407 -2.304 1.00 0.00 ATOM 456 CB PRO 76 18.977 -5.479 -2.746 1.00 0.00 ATOM 457 CG PRO 76 18.189 -6.745 -2.752 1.00 0.00 ATOM 458 CD PRO 76 17.192 -6.620 -1.635 1.00 0.00 ATOM 459 O PRO 76 17.677 -2.568 -3.815 1.00 0.00 ATOM 460 C PRO 76 17.370 -3.723 -3.524 1.00 0.00 ATOM 461 N LYS 77 16.518 -4.448 -4.242 1.00 0.00 ATOM 462 CA LYS 77 15.891 -3.935 -5.457 1.00 0.00 ATOM 463 CB LYS 77 15.882 -5.007 -6.548 1.00 0.00 ATOM 464 CG LYS 77 17.264 -5.403 -7.041 1.00 0.00 ATOM 465 CD LYS 77 17.179 -6.464 -8.127 1.00 0.00 ATOM 466 CE LYS 77 18.557 -6.819 -8.660 1.00 0.00 ATOM 467 NZ LYS 77 18.482 -7.755 -9.816 1.00 0.00 ATOM 468 O LYS 77 13.522 -4.319 -5.284 1.00 0.00 ATOM 469 C LYS 77 14.446 -3.507 -5.212 1.00 0.00 ATOM 470 N GLU 78 14.258 -2.217 -4.956 1.00 0.00 ATOM 471 CA GLU 78 12.942 -1.684 -4.661 1.00 0.00 ATOM 472 CB GLU 78 12.880 -1.177 -3.218 1.00 0.00 ATOM 473 CG GLU 78 13.805 -0.004 -2.932 1.00 0.00 ATOM 474 CD GLU 78 13.749 0.442 -1.485 1.00 0.00 ATOM 475 OE1 GLU 78 13.057 -0.221 -0.686 1.00 0.00 ATOM 476 OE2 GLU 78 14.399 1.455 -1.150 1.00 0.00 ATOM 477 O GLU 78 13.327 0.374 -5.815 1.00 0.00 ATOM 478 C GLU 78 12.530 -0.519 -5.545 1.00 0.00 ATOM 479 N ASP 79 11.287 -0.539 -6.008 1.00 0.00 ATOM 480 CA ASP 79 10.771 0.561 -6.811 1.00 0.00 ATOM 481 CB ASP 79 10.714 0.165 -8.288 1.00 0.00 ATOM 482 CG ASP 79 12.090 -0.016 -8.896 1.00 0.00 ATOM 483 OD1 ASP 79 12.800 0.996 -9.071 1.00 0.00 ATOM 484 OD2 ASP 79 12.459 -1.171 -9.198 1.00 0.00 ATOM 485 O ASP 79 8.669 0.048 -5.758 1.00 0.00 ATOM 486 C ASP 79 9.368 0.896 -6.318 1.00 0.00 ATOM 487 N ALA 80 8.980 2.148 -6.501 1.00 0.00 ATOM 488 CA ALA 80 7.682 2.622 -6.058 1.00 0.00 ATOM 489 CB ALA 80 7.809 3.997 -5.418 1.00 0.00 ATOM 490 O ALA 80 7.178 2.778 -8.387 1.00 0.00 ATOM 491 C ALA 80 6.741 2.719 -7.238 1.00 0.00 ATOM 492 N LEU 81 5.446 2.782 -6.945 1.00 0.00 ATOM 493 CA LEU 81 4.439 2.837 -7.991 1.00 0.00 ATOM 494 CB LEU 81 4.195 1.443 -8.573 1.00 0.00 ATOM 495 CG LEU 81 3.153 1.347 -9.689 1.00 0.00 ATOM 496 CD1 LEU 81 3.637 2.064 -10.940 1.00 0.00 ATOM 497 CD2 LEU 81 2.881 -0.106 -10.048 1.00 0.00 ATOM 498 O LEU 81 2.616 2.859 -6.439 1.00 0.00 ATOM 499 C LEU 81 3.117 3.362 -7.443 1.00 0.00 ATOM 500 N LEU 82 2.558 4.413 -8.062 1.00 0.00 ATOM 501 CA LEU 82 1.276 4.931 -7.581 1.00 0.00 ATOM 502 CB LEU 82 1.137 6.418 -7.920 1.00 0.00 ATOM 503 CG LEU 82 2.177 7.354 -7.302 1.00 0.00 ATOM 504 CD1 LEU 82 1.968 8.781 -7.783 1.00 0.00 ATOM 505 CD2 LEU 82 2.074 7.344 -5.785 1.00 0.00 ATOM 506 O LEU 82 0.401 3.703 -9.464 1.00 0.00 ATOM 507 C LEU 82 0.207 4.094 -8.306 1.00 0.00 ATOM 508 N LEU 83 -0.894 3.802 -7.616 1.00 0.00 ATOM 509 CA LEU 83 -2.008 3.030 -8.175 1.00 0.00 ATOM 510 CB LEU 83 -2.442 1.932 -7.201 1.00 0.00 ATOM 511 CG LEU 83 -1.379 0.894 -6.833 1.00 0.00 ATOM 512 CD1 LEU 83 -1.918 -0.081 -5.798 1.00 0.00 ATOM 513 CD2 LEU 83 -0.955 0.100 -8.059 1.00 0.00 ATOM 514 O LEU 83 -3.511 4.788 -7.518 1.00 0.00 ATOM 515 C LEU 83 -3.140 4.019 -8.404 1.00 0.00 ATOM 516 N GLU 84 -3.709 3.967 -9.593 1.00 0.00 ATOM 517 CA GLU 84 -4.747 4.895 -9.968 1.00 0.00 ATOM 518 CB GLU 84 -4.318 5.715 -11.187 1.00 0.00 ATOM 519 CG GLU 84 -3.147 6.647 -10.927 1.00 0.00 ATOM 520 CD GLU 84 -2.787 7.483 -12.139 1.00 0.00 ATOM 521 OE1 GLU 84 -3.444 7.320 -13.190 1.00 0.00 ATOM 522 OE2 GLU 84 -1.849 8.301 -12.041 1.00 0.00 ATOM 523 O GLU 84 -6.121 3.164 -10.930 1.00 0.00 ATOM 524 C GLU 84 -6.086 4.244 -10.337 1.00 0.00 ATOM 525 N GLY 85 -7.185 4.907 -9.987 1.00 0.00 ATOM 526 CA GLY 85 -8.505 4.376 -10.299 1.00 0.00 ATOM 527 O GLY 85 -8.474 3.209 -8.208 1.00 0.00 ATOM 528 C GLY 85 -8.932 3.269 -9.351 1.00 0.00 ATOM 529 N VAL 86 -9.824 2.400 -9.809 1.00 0.00 ATOM 530 CA VAL 86 -10.265 1.302 -8.967 1.00 0.00 ATOM 531 CB VAL 86 -11.290 0.410 -9.693 1.00 0.00 ATOM 532 CG1 VAL 86 -11.705 -0.754 -8.806 1.00 0.00 ATOM 533 CG2 VAL 86 -12.534 1.210 -10.048 1.00 0.00 ATOM 534 O VAL 86 -8.352 -0.067 -9.525 1.00 0.00 ATOM 535 C VAL 86 -8.988 0.514 -8.645 1.00 0.00 ATOM 536 N PRO 87 -8.600 0.505 -7.368 1.00 0.00 ATOM 537 CA PRO 87 -7.419 -0.151 -6.815 1.00 0.00 ATOM 538 CB PRO 87 -7.599 -0.025 -5.301 1.00 0.00 ATOM 539 CG PRO 87 -8.364 1.243 -5.122 1.00 0.00 ATOM 540 CD PRO 87 -9.389 1.271 -6.220 1.00 0.00 ATOM 541 O PRO 87 -6.063 -1.972 -7.543 1.00 0.00 ATOM 542 C PRO 87 -7.169 -1.612 -7.130 1.00 0.00 ATOM 543 N ALA 88 -8.169 -2.463 -6.950 1.00 0.00 ATOM 544 CA ALA 88 -7.939 -3.867 -7.228 1.00 0.00 ATOM 545 CB ALA 88 -9.146 -4.695 -6.813 1.00 0.00 ATOM 546 O ALA 88 -6.794 -4.898 -9.067 1.00 0.00 ATOM 547 C ALA 88 -7.690 -4.122 -8.707 1.00 0.00 ATOM 548 N GLU 89 -8.447 -3.463 -9.574 1.00 0.00 ATOM 549 CA GLU 89 -8.231 -3.664 -11.006 1.00 0.00 ATOM 550 CB GLU 89 -9.261 -2.876 -11.819 1.00 0.00 ATOM 551 CG GLU 89 -10.673 -3.431 -11.734 1.00 0.00 ATOM 552 CD GLU 89 -11.686 -2.557 -12.450 1.00 0.00 ATOM 553 OE1 GLU 89 -11.296 -1.481 -12.947 1.00 0.00 ATOM 554 OE2 GLU 89 -12.870 -2.950 -12.511 1.00 0.00 ATOM 555 O GLU 89 -6.159 -3.808 -12.226 1.00 0.00 ATOM 556 C GLU 89 -6.828 -3.186 -11.396 1.00 0.00 ATOM 557 N ALA 90 -6.391 -2.077 -10.806 1.00 0.00 ATOM 558 CA ALA 90 -5.059 -1.555 -11.106 1.00 0.00 ATOM 559 CB ALA 90 -4.846 -0.216 -10.414 1.00 0.00 ATOM 560 O ALA 90 -3.031 -2.834 -11.294 1.00 0.00 ATOM 561 C ALA 90 -4.016 -2.561 -10.604 1.00 0.00 ATOM 562 N ILE 91 -4.246 -3.128 -9.419 1.00 0.00 ATOM 563 CA ILE 91 -3.305 -4.096 -8.862 1.00 0.00 ATOM 564 CB ILE 91 -3.733 -4.554 -7.456 1.00 0.00 ATOM 565 CG1 ILE 91 -3.615 -3.398 -6.460 1.00 0.00 ATOM 566 CG2 ILE 91 -2.849 -5.695 -6.975 1.00 0.00 ATOM 567 CD1 ILE 91 -4.260 -3.678 -5.120 1.00 0.00 ATOM 568 O ILE 91 -2.106 -5.871 -9.966 1.00 0.00 ATOM 569 C ILE 91 -3.199 -5.355 -9.739 1.00 0.00 ATOM 570 N LEU 92 -4.327 -5.842 -10.243 1.00 0.00 ATOM 571 CA LEU 92 -4.316 -7.022 -11.099 1.00 0.00 ATOM 572 CB LEU 92 -5.742 -7.411 -11.495 1.00 0.00 ATOM 573 CG LEU 92 -6.628 -7.965 -10.376 1.00 0.00 ATOM 574 CD1 LEU 92 -8.060 -8.138 -10.861 1.00 0.00 ATOM 575 CD2 LEU 92 -6.118 -9.319 -9.908 1.00 0.00 ATOM 576 O LEU 92 -2.732 -7.522 -12.849 1.00 0.00 ATOM 577 C LEU 92 -3.508 -6.698 -12.356 1.00 0.00 ATOM 578 N GLN 93 -3.696 -5.484 -12.866 1.00 0.00 ATOM 579 CA GLN 93 -3.002 -5.036 -14.067 1.00 0.00 ATOM 580 CB GLN 93 -3.485 -3.644 -14.480 1.00 0.00 ATOM 581 CG GLN 93 -4.903 -3.616 -15.026 1.00 0.00 ATOM 582 CD GLN 93 -5.388 -2.209 -15.317 1.00 0.00 ATOM 583 OE1 GLN 93 -4.698 -1.232 -15.027 1.00 0.00 ATOM 584 NE2 GLN 93 -6.580 -2.103 -15.891 1.00 0.00 ATOM 585 O GLN 93 -0.694 -5.395 -14.649 1.00 0.00 ATOM 586 C GLN 93 -1.495 -4.972 -13.817 1.00 0.00 ATOM 587 N ALA 94 -1.119 -4.440 -12.662 1.00 0.00 ATOM 588 CA ALA 94 0.285 -4.325 -12.310 1.00 0.00 ATOM 589 CB ALA 94 0.440 -3.604 -10.980 1.00 0.00 ATOM 590 O ALA 94 1.994 -5.955 -12.718 1.00 0.00 ATOM 591 C ALA 94 0.909 -5.715 -12.190 1.00 0.00 ATOM 592 N ALA 95 0.210 -6.629 -11.517 1.00 0.00 ATOM 593 CA ALA 95 0.696 -7.992 -11.342 1.00 0.00 ATOM 594 CB ALA 95 -0.312 -8.817 -10.555 1.00 0.00 ATOM 595 O ALA 95 1.871 -9.391 -12.884 1.00 0.00 ATOM 596 C ALA 95 0.913 -8.649 -12.688 1.00 0.00 ATOM 597 N ARG 96 0.015 -8.380 -13.619 1.00 0.00 ATOM 598 CA ARG 96 0.134 -8.957 -14.946 1.00 0.00 ATOM 599 CB ARG 96 -1.159 -8.750 -15.738 1.00 0.00 ATOM 600 CG ARG 96 -2.327 -9.594 -15.251 1.00 0.00 ATOM 601 CD ARG 96 -3.595 -9.283 -16.029 1.00 0.00 ATOM 602 NE ARG 96 -4.729 -10.082 -15.571 1.00 0.00 ATOM 603 CZ ARG 96 -5.969 -9.950 -16.028 1.00 0.00 ATOM 604 NH1 ARG 96 -6.937 -10.722 -15.552 1.00 0.00 ATOM 605 NH2 ARG 96 -6.240 -9.048 -16.961 1.00 0.00 ATOM 606 O ARG 96 2.075 -8.964 -16.353 1.00 0.00 ATOM 607 C ARG 96 1.281 -8.292 -15.702 1.00 0.00 ATOM 608 N ALA 97 1.368 -6.968 -15.602 1.00 0.00 ATOM 609 CA ALA 97 2.393 -6.207 -16.300 1.00 0.00 ATOM 610 CB ALA 97 2.154 -4.715 -16.129 1.00 0.00 ATOM 611 O ALA 97 4.763 -6.484 -16.582 1.00 0.00 ATOM 612 C ALA 97 3.815 -6.489 -15.802 1.00 0.00 ATOM 613 N GLU 98 3.959 -6.742 -14.506 1.00 0.00 ATOM 614 CA GLU 98 5.261 -7.015 -13.918 1.00 0.00 ATOM 615 CB GLU 98 5.417 -6.272 -12.591 1.00 0.00 ATOM 616 CG GLU 98 5.266 -4.763 -12.701 1.00 0.00 ATOM 617 CD GLU 98 6.285 -4.144 -13.639 1.00 0.00 ATOM 618 OE1 GLU 98 7.490 -4.427 -13.476 1.00 0.00 ATOM 619 OE2 GLU 98 5.877 -3.377 -14.536 1.00 0.00 ATOM 620 O GLU 98 6.457 -8.918 -13.066 1.00 0.00 ATOM 621 C GLU 98 5.454 -8.508 -13.645 1.00 0.00 ATOM 622 N LYS 99 4.486 -9.319 -14.056 1.00 0.00 ATOM 623 CA LYS 99 4.580 -10.757 -13.841 1.00 0.00 ATOM 624 CB LYS 99 5.712 -11.351 -14.680 1.00 0.00 ATOM 625 CG LYS 99 5.508 -11.221 -16.180 1.00 0.00 ATOM 626 CD LYS 99 6.678 -11.811 -16.951 1.00 0.00 ATOM 627 CE LYS 99 6.489 -11.649 -18.450 1.00 0.00 ATOM 628 NZ LYS 99 7.677 -12.120 -19.214 1.00 0.00 ATOM 629 O LYS 99 5.706 -11.942 -12.072 1.00 0.00 ATOM 630 C LYS 99 4.860 -11.100 -12.373 1.00 0.00 ATOM 631 N ALA 100 4.137 -10.448 -11.464 1.00 0.00 ATOM 632 CA ALA 100 4.291 -10.689 -10.027 1.00 0.00 ATOM 633 CB ALA 100 3.356 -9.786 -9.236 1.00 0.00 ATOM 634 O ALA 100 3.270 -12.830 -10.407 1.00 0.00 ATOM 635 C ALA 100 3.967 -12.139 -9.662 1.00 0.00 ATOM 636 N ASP 101 4.483 -12.599 -8.526 1.00 0.00 ATOM 637 CA ASP 101 4.189 -13.950 -8.067 1.00 0.00 ATOM 638 CB ASP 101 5.444 -14.824 -8.135 1.00 0.00 ATOM 639 CG ASP 101 6.553 -14.320 -7.230 1.00 0.00 ATOM 640 OD1 ASP 101 6.320 -13.336 -6.497 1.00 0.00 ATOM 641 OD2 ASP 101 7.653 -14.910 -7.253 1.00 0.00 ATOM 642 O ASP 101 3.258 -14.948 -6.085 1.00 0.00 ATOM 643 C ASP 101 3.691 -13.932 -6.621 1.00 0.00 ATOM 644 N LEU 102 3.706 -12.754 -6.014 1.00 0.00 ATOM 645 CA LEU 102 3.238 -12.603 -4.648 1.00 0.00 ATOM 646 CB LEU 102 4.366 -12.900 -3.658 1.00 0.00 ATOM 647 CG LEU 102 4.025 -12.740 -2.176 1.00 0.00 ATOM 648 CD1 LEU 102 2.954 -13.737 -1.758 1.00 0.00 ATOM 649 CD2 LEU 102 5.257 -12.975 -1.313 1.00 0.00 ATOM 650 O LEU 102 3.461 -10.213 -4.565 1.00 0.00 ATOM 651 C LEU 102 2.733 -11.188 -4.358 1.00 0.00 ATOM 652 N ILE 103 1.494 -11.072 -3.887 1.00 0.00 ATOM 653 CA ILE 103 0.947 -9.768 -3.531 1.00 0.00 ATOM 654 CB ILE 103 -0.448 -9.554 -4.149 1.00 0.00 ATOM 655 CG1 ILE 103 -0.364 -9.591 -5.678 1.00 0.00 ATOM 656 CG2 ILE 103 -1.015 -8.206 -3.730 1.00 0.00 ATOM 657 CD1 ILE 103 -1.714 -9.629 -6.361 1.00 0.00 ATOM 658 O ILE 103 0.438 -10.713 -1.387 1.00 0.00 ATOM 659 C ILE 103 0.852 -9.738 -2.012 1.00 0.00 ATOM 660 N VAL 104 1.225 -8.609 -1.427 1.00 0.00 ATOM 661 CA VAL 104 1.227 -8.462 0.014 1.00 0.00 ATOM 662 CB VAL 104 2.659 -8.369 0.570 1.00 0.00 ATOM 663 CG1 VAL 104 2.633 -8.178 2.079 1.00 0.00 ATOM 664 CG2 VAL 104 3.435 -9.638 0.259 1.00 0.00 ATOM 665 O VAL 104 0.702 -6.129 -0.078 1.00 0.00 ATOM 666 C VAL 104 0.495 -7.209 0.478 1.00 0.00 ATOM 667 N MET 105 -0.340 -7.344 1.506 1.00 0.00 ATOM 668 CA MET 105 -1.021 -6.189 2.076 1.00 0.00 ATOM 669 CB MET 105 -2.433 -6.062 1.501 1.00 0.00 ATOM 670 CG MET 105 -2.473 -5.828 -0.000 1.00 0.00 ATOM 671 SD MET 105 -4.151 -5.631 -0.629 1.00 0.00 ATOM 672 CE MET 105 -4.566 -4.012 0.014 1.00 0.00 ATOM 673 O MET 105 -1.078 -7.450 4.106 1.00 0.00 ATOM 674 C MET 105 -1.118 -6.343 3.580 1.00 0.00 ATOM 675 N GLY 106 -1.228 -5.225 4.275 1.00 0.00 ATOM 676 CA GLY 106 -1.365 -5.290 5.712 1.00 0.00 ATOM 677 O GLY 106 -3.658 -4.791 5.260 1.00 0.00 ATOM 678 C GLY 106 -2.854 -5.408 5.969 1.00 0.00 ATOM 679 N THR 107 -3.231 -6.198 6.966 1.00 0.00 ATOM 680 CA THR 107 -4.636 -6.401 7.295 1.00 0.00 ATOM 681 CB THR 107 -4.809 -7.453 8.405 1.00 0.00 ATOM 682 CG2 THR 107 -6.281 -7.633 8.744 1.00 0.00 ATOM 683 OG1 THR 107 -4.279 -8.709 7.966 1.00 0.00 ATOM 684 O THR 107 -4.517 -4.251 8.315 1.00 0.00 ATOM 685 C THR 107 -5.221 -5.090 7.770 1.00 0.00 ATOM 686 N ARG 108 -6.510 -4.903 7.556 1.00 0.00 ATOM 687 CA ARG 108 -7.168 -3.691 8.011 1.00 0.00 ATOM 688 CB ARG 108 -6.810 -2.513 7.102 1.00 0.00 ATOM 689 CG ARG 108 -7.313 -2.655 5.676 1.00 0.00 ATOM 690 CD ARG 108 -6.958 -1.434 4.842 1.00 0.00 ATOM 691 NE ARG 108 -7.311 -1.612 3.434 1.00 0.00 ATOM 692 CZ ARG 108 -8.515 -1.363 2.929 1.00 0.00 ATOM 693 NH1 ARG 108 -8.744 -1.552 1.637 1.00 0.00 ATOM 694 NH2 ARG 108 -9.487 -0.925 3.717 1.00 0.00 ATOM 695 O ARG 108 -9.075 -4.905 7.279 1.00 0.00 ATOM 696 C ARG 108 -8.656 -3.973 7.957 1.00 0.00 ATOM 697 N GLY 109 -9.444 -3.198 8.696 1.00 0.00 ATOM 698 CA GLY 109 -10.886 -3.394 8.700 1.00 0.00 ATOM 699 O GLY 109 -11.007 -1.572 10.243 1.00 0.00 ATOM 700 C GLY 109 -11.625 -2.386 9.560 1.00 0.00 ATOM 701 N LEU 110 -12.951 -2.425 9.508 1.00 0.00 ATOM 702 CA LEU 110 -13.788 -1.531 10.306 1.00 0.00 ATOM 703 CB LEU 110 -14.926 -0.962 9.456 1.00 0.00 ATOM 704 CG LEU 110 -14.514 -0.157 8.223 1.00 0.00 ATOM 705 CD1 LEU 110 -15.739 0.280 7.433 1.00 0.00 ATOM 706 CD2 LEU 110 -13.743 1.089 8.629 1.00 0.00 ATOM 707 O LEU 110 -14.498 -3.594 11.290 1.00 0.00 ATOM 708 C LEU 110 -14.334 -2.381 11.444 1.00 0.00 ATOM 709 N GLY 111 -14.618 -1.755 12.582 1.00 0.00 ATOM 710 CA GLY 111 -15.109 -2.497 13.740 1.00 0.00 ATOM 711 O GLY 111 -17.106 -2.803 15.024 1.00 0.00 ATOM 712 C GLY 111 -16.609 -2.377 13.986 1.00 0.00 ATOM 713 N ALA 112 -17.336 -1.799 13.041 1.00 0.00 ATOM 714 CA ALA 112 -18.776 -1.691 13.212 1.00 0.00 ATOM 715 CB ALA 112 -19.328 -0.561 12.356 1.00 0.00 ATOM 716 O ALA 112 -18.755 -3.862 12.197 1.00 0.00 ATOM 717 C ALA 112 -19.413 -3.002 12.787 1.00 0.00 ATOM 718 N LEU 113 -20.697 -3.163 13.080 1.00 0.00 ATOM 719 CA LEU 113 -21.372 -4.392 12.710 1.00 0.00 ATOM 720 CB LEU 113 -22.864 -4.302 13.037 1.00 0.00 ATOM 721 CG LEU 113 -23.709 -5.527 12.684 1.00 0.00 ATOM 722 CD1 LEU 113 -23.237 -6.749 13.457 1.00 0.00 ATOM 723 CD2 LEU 113 -25.172 -5.288 13.024 1.00 0.00 ATOM 724 O LEU 113 -20.738 -5.667 10.792 1.00 0.00 ATOM 725 C LEU 113 -21.198 -4.613 11.220 1.00 0.00 ATOM 726 N GLY 114 -21.547 -3.608 10.430 1.00 0.00 ATOM 727 CA GLY 114 -21.420 -3.725 8.989 1.00 0.00 ATOM 728 O GLY 114 -19.691 -4.900 7.776 1.00 0.00 ATOM 729 C GLY 114 -19.960 -3.994 8.574 1.00 0.00 ATOM 730 N SER 115 -19.025 -3.221 9.123 1.00 0.00 ATOM 731 CA SER 115 -17.624 -3.407 8.785 1.00 0.00 ATOM 732 CB SER 115 -16.736 -2.565 9.703 1.00 0.00 ATOM 733 OG SER 115 -16.952 -1.179 9.491 1.00 0.00 ATOM 734 O SER 115 -16.475 -5.384 8.057 1.00 0.00 ATOM 735 C SER 115 -17.170 -4.846 8.923 1.00 0.00 ATOM 736 N LEU 116 -17.567 -5.484 10.014 1.00 0.00 ATOM 737 CA LEU 116 -17.184 -6.867 10.246 1.00 0.00 ATOM 738 CB LEU 116 -17.359 -7.233 11.720 1.00 0.00 ATOM 739 CG LEU 116 -16.442 -6.510 12.711 1.00 0.00 ATOM 740 CD1 LEU 116 -16.809 -6.867 14.142 1.00 0.00 ATOM 741 CD2 LEU 116 -14.990 -6.898 12.480 1.00 0.00 ATOM 742 O LEU 116 -17.465 -8.856 8.955 1.00 0.00 ATOM 743 C LEU 116 -18.005 -7.870 9.444 1.00 0.00 ATOM 744 N PHE 117 -19.306 -7.624 9.310 1.00 0.00 ATOM 745 CA PHE 117 -20.167 -8.544 8.582 1.00 0.00 ATOM 746 CB PHE 117 -21.623 -8.082 8.651 1.00 0.00 ATOM 747 CG PHE 117 -22.578 -8.979 7.915 1.00 0.00 ATOM 748 CD1 PHE 117 -23.008 -10.168 8.478 1.00 0.00 ATOM 749 CD2 PHE 117 -23.048 -8.633 6.660 1.00 0.00 ATOM 750 CE1 PHE 117 -23.886 -10.991 7.802 1.00 0.00 ATOM 751 CE2 PHE 117 -23.926 -9.457 5.983 1.00 0.00 ATOM 752 CZ PHE 117 -24.345 -10.633 6.549 1.00 0.00 ATOM 753 O PHE 117 -19.857 -9.737 6.515 1.00 0.00 ATOM 754 C PHE 117 -19.793 -8.654 7.105 1.00 0.00 ATOM 755 N LEU 118 -19.394 -7.532 6.518 1.00 0.00 ATOM 756 CA LEU 118 -19.056 -7.484 5.098 1.00 0.00 ATOM 757 CB LEU 118 -19.249 -6.070 4.549 1.00 0.00 ATOM 758 CG LEU 118 -20.673 -5.512 4.600 1.00 0.00 ATOM 759 CD1 LEU 118 -20.703 -4.069 4.117 1.00 0.00 ATOM 760 CD2 LEU 118 -21.603 -6.328 3.713 1.00 0.00 ATOM 761 O LEU 118 -17.261 -7.823 3.562 1.00 0.00 ATOM 762 C LEU 118 -17.633 -7.867 4.733 1.00 0.00 ATOM 763 N GLY 119 -16.840 -8.248 5.730 1.00 0.00 ATOM 764 CA GLY 119 -15.461 -8.611 5.474 1.00 0.00 ATOM 765 O GLY 119 -16.210 -10.742 4.652 1.00 0.00 ATOM 766 C GLY 119 -15.257 -10.003 4.912 1.00 0.00 ATOM 767 N SER 120 -13.995 -10.352 4.709 1.00 0.00 ATOM 768 CA SER 120 -13.648 -11.657 4.190 1.00 0.00 ATOM 769 CB SER 120 -12.558 -11.537 3.123 1.00 0.00 ATOM 770 OG SER 120 -13.038 -10.854 1.978 1.00 0.00 ATOM 771 O SER 120 -12.658 -11.911 6.353 1.00 0.00 ATOM 772 C SER 120 -13.146 -12.476 5.372 1.00 0.00 ATOM 773 N GLN 121 -13.283 -13.799 5.285 1.00 0.00 ATOM 774 CA GLN 121 -12.841 -14.688 6.355 1.00 0.00 ATOM 775 CB GLN 121 -13.308 -16.120 6.089 1.00 0.00 ATOM 776 CG GLN 121 -14.809 -16.319 6.228 1.00 0.00 ATOM 777 CD GLN 121 -15.248 -17.720 5.850 1.00 0.00 ATOM 778 OE1 GLN 121 -14.444 -18.528 5.382 1.00 0.00 ATOM 779 NE2 GLN 121 -16.527 -18.012 6.051 1.00 0.00 ATOM 780 O GLN 121 -10.775 -14.655 7.571 1.00 0.00 ATOM 781 C GLN 121 -11.316 -14.700 6.470 1.00 0.00 ATOM 782 N SER 122 -10.599 -14.759 5.333 1.00 0.00 ATOM 783 CA SER 122 -9.141 -14.768 5.478 1.00 0.00 ATOM 784 CB SER 122 -8.466 -14.762 4.105 1.00 0.00 ATOM 785 OG SER 122 -8.726 -13.552 3.414 1.00 0.00 ATOM 786 O SER 122 -7.683 -13.662 7.014 1.00 0.00 ATOM 787 C SER 122 -8.634 -13.555 6.244 1.00 0.00 ATOM 788 N GLN 123 -9.278 -12.405 6.073 1.00 0.00 ATOM 789 CA GLN 123 -8.826 -11.231 6.817 1.00 0.00 ATOM 790 CB GLN 123 -9.469 -9.962 6.256 1.00 0.00 ATOM 791 CG GLN 123 -8.971 -9.569 4.875 1.00 0.00 ATOM 792 CD GLN 123 -9.674 -8.344 4.327 1.00 0.00 ATOM 793 OE1 GLN 123 -10.577 -7.798 4.963 1.00 0.00 ATOM 794 NE2 GLN 123 -9.265 -7.908 3.141 1.00 0.00 ATOM 795 O GLN 123 -8.491 -10.931 9.196 1.00 0.00 ATOM 796 C GLN 123 -9.213 -11.372 8.289 1.00 0.00 ATOM 797 N ARG 124 -10.363 -11.993 8.516 1.00 0.00 ATOM 798 CA ARG 124 -10.861 -12.180 9.863 1.00 0.00 ATOM 799 CB ARG 124 -12.261 -12.796 9.836 1.00 0.00 ATOM 800 CG ARG 124 -13.344 -11.854 9.338 1.00 0.00 ATOM 801 CD ARG 124 -14.697 -12.544 9.291 1.00 0.00 ATOM 802 NE ARG 124 -15.746 -11.659 8.789 1.00 0.00 ATOM 803 CZ ARG 124 -17.015 -12.020 8.629 1.00 0.00 ATOM 804 NH1 ARG 124 -17.900 -11.147 8.166 1.00 0.00 ATOM 805 NH2 ARG 124 -17.397 -13.254 8.931 1.00 0.00 ATOM 806 O ARG 124 -9.610 -12.827 11.803 1.00 0.00 ATOM 807 C ARG 124 -9.951 -13.105 10.656 1.00 0.00 ATOM 808 N VAL 125 -9.552 -14.207 10.041 1.00 0.00 ATOM 809 CA VAL 125 -8.681 -15.152 10.712 1.00 0.00 ATOM 810 CB VAL 125 -8.392 -16.379 9.828 1.00 0.00 ATOM 811 CG1 VAL 125 -7.326 -17.256 10.465 1.00 0.00 ATOM 812 CG2 VAL 125 -9.652 -17.211 9.644 1.00 0.00 ATOM 813 O VAL 125 -6.836 -14.585 12.153 1.00 0.00 ATOM 814 C VAL 125 -7.357 -14.466 11.041 1.00 0.00 ATOM 815 N VAL 126 -6.815 -13.735 10.072 1.00 0.00 ATOM 816 CA VAL 126 -5.565 -13.028 10.282 1.00 0.00 ATOM 817 CB VAL 126 -5.256 -12.070 9.117 1.00 0.00 ATOM 818 CG1 VAL 126 -4.061 -11.191 9.453 1.00 0.00 ATOM 819 CG2 VAL 126 -4.935 -12.855 7.853 1.00 0.00 ATOM 820 O VAL 126 -4.669 -12.175 12.335 1.00 0.00 ATOM 821 C VAL 126 -5.622 -12.200 11.565 1.00 0.00 ATOM 822 N ALA 127 -6.741 -11.524 11.787 1.00 0.00 ATOM 823 CA ALA 127 -6.896 -10.705 12.980 1.00 0.00 ATOM 824 CB ALA 127 -8.059 -9.738 12.810 1.00 0.00 ATOM 825 O ALA 127 -6.599 -11.386 15.271 1.00 0.00 ATOM 826 C ALA 127 -7.172 -11.590 14.199 1.00 0.00 ATOM 827 N GLU 128 -8.044 -12.577 14.030 1.00 0.00 ATOM 828 CA GLU 128 -8.387 -13.488 15.120 1.00 0.00 ATOM 829 CB GLU 128 -9.286 -14.617 14.611 1.00 0.00 ATOM 830 CG GLU 128 -9.730 -15.590 15.691 1.00 0.00 ATOM 831 CD GLU 128 -10.643 -16.676 15.155 1.00 0.00 ATOM 832 OE1 GLU 128 -10.943 -16.655 13.943 1.00 0.00 ATOM 833 OE2 GLU 128 -11.057 -17.547 15.947 1.00 0.00 ATOM 834 O GLU 128 -6.887 -13.954 16.931 1.00 0.00 ATOM 835 C GLU 128 -7.151 -14.125 15.743 1.00 0.00 ATOM 836 N ALA 129 -6.403 -14.855 14.921 1.00 0.00 ATOM 837 CA ALA 129 -5.204 -15.558 15.360 1.00 0.00 ATOM 838 CB ALA 129 -4.988 -16.811 14.525 1.00 0.00 ATOM 839 O ALA 129 -2.824 -15.304 15.306 1.00 0.00 ATOM 840 C ALA 129 -3.920 -14.741 15.253 1.00 0.00 ATOM 841 N PRO 130 -4.050 -13.423 15.107 1.00 0.00 ATOM 842 CA PRO 130 -2.881 -12.555 14.984 1.00 0.00 ATOM 843 CB PRO 130 -2.449 -12.310 16.431 1.00 0.00 ATOM 844 CG PRO 130 -2.925 -13.514 17.172 1.00 0.00 ATOM 845 CD PRO 130 -4.216 -13.922 16.521 1.00 0.00 ATOM 846 O PRO 130 -0.634 -13.348 14.601 1.00 0.00 ATOM 847 C PRO 130 -1.787 -13.258 14.173 1.00 0.00 ATOM 848 N CYS 131 -2.156 -13.753 12.997 1.00 0.00 ATOM 849 CA CYS 131 -1.211 -14.463 12.149 1.00 0.00 ATOM 850 CB CYS 131 -1.460 -15.972 12.215 1.00 0.00 ATOM 851 SG CYS 131 -3.050 -16.496 11.535 1.00 0.00 ATOM 852 O CYS 131 -2.334 -13.502 10.253 1.00 0.00 ATOM 853 C CYS 131 -1.322 -14.040 10.677 1.00 0.00 ATOM 854 N PRO 132 -0.268 -14.270 9.908 1.00 0.00 ATOM 855 CA PRO 132 -0.267 -13.926 8.497 1.00 0.00 ATOM 856 CB PRO 132 1.216 -13.761 8.157 1.00 0.00 ATOM 857 CG PRO 132 1.919 -14.685 9.093 1.00 0.00 ATOM 858 CD PRO 132 1.146 -14.641 10.381 1.00 0.00 ATOM 859 O PRO 132 -0.763 -16.246 8.093 1.00 0.00 ATOM 860 C PRO 132 -0.924 -15.073 7.732 1.00 0.00 ATOM 861 N VAL 133 -1.638 -14.727 6.664 1.00 0.00 ATOM 862 CA VAL 133 -2.327 -15.711 5.841 1.00 0.00 ATOM 863 CB VAL 133 -3.846 -15.459 5.814 1.00 0.00 ATOM 864 CG1 VAL 133 -4.535 -16.465 4.903 1.00 0.00 ATOM 865 CG2 VAL 133 -4.433 -15.594 7.210 1.00 0.00 ATOM 866 O VAL 133 -1.678 -14.596 3.819 1.00 0.00 ATOM 867 C VAL 133 -1.827 -15.669 4.404 1.00 0.00 ATOM 868 N LEU 134 -1.584 -16.844 3.835 1.00 0.00 ATOM 869 CA LEU 134 -1.074 -16.943 2.477 1.00 0.00 ATOM 870 CB LEU 134 0.321 -17.572 2.471 1.00 0.00 ATOM 871 CG LEU 134 0.959 -17.795 1.100 1.00 0.00 ATOM 872 CD1 LEU 134 1.204 -16.467 0.398 1.00 0.00 ATOM 873 CD2 LEU 134 2.292 -18.513 1.238 1.00 0.00 ATOM 874 O LEU 134 -2.199 -18.962 1.879 1.00 0.00 ATOM 875 C LEU 134 -1.958 -17.795 1.584 1.00 0.00 ATOM 876 N LEU 135 -2.438 -17.208 0.492 1.00 0.00 ATOM 877 CA LEU 135 -3.289 -17.923 -0.450 1.00 0.00 ATOM 878 CB LEU 135 -4.460 -17.043 -0.889 1.00 0.00 ATOM 879 CG LEU 135 -5.414 -17.650 -1.921 1.00 0.00 ATOM 880 CD1 LEU 135 -6.140 -18.854 -1.341 1.00 0.00 ATOM 881 CD2 LEU 135 -6.456 -16.630 -2.355 1.00 0.00 ATOM 882 O LEU 135 -1.883 -17.420 -2.322 1.00 0.00 ATOM 883 C LEU 135 -2.442 -18.292 -1.658 1.00 0.00 ATOM 884 N VAL 136 -2.346 -19.589 -1.933 1.00 0.00 ATOM 885 CA VAL 136 -1.543 -20.093 -3.042 1.00 0.00 ATOM 886 CB VAL 136 -0.849 -21.419 -2.680 1.00 0.00 ATOM 887 CG1 VAL 136 -0.050 -21.942 -3.865 1.00 0.00 ATOM 888 CG2 VAL 136 0.102 -21.220 -1.510 1.00 0.00 ATOM 889 O VAL 136 -3.350 -21.146 -4.196 1.00 0.00 ATOM 890 C VAL 136 -2.429 -20.333 -4.247 1.00 0.00 ATOM 891 N ARG 137 -2.157 -19.624 -5.333 1.00 0.00 ATOM 892 CA ARG 137 -2.968 -19.785 -6.527 1.00 0.00 ATOM 893 CB ARG 137 -2.579 -18.747 -7.581 1.00 0.00 ATOM 894 CG ARG 137 -2.792 -17.306 -7.144 1.00 0.00 ATOM 895 CD ARG 137 -2.305 -16.330 -8.202 1.00 0.00 ATOM 896 NE ARG 137 -3.103 -16.404 -9.423 1.00 0.00 ATOM 897 CZ ARG 137 -4.219 -15.711 -9.628 1.00 0.00 ATOM 898 NH1 ARG 137 -4.879 -15.841 -10.772 1.00 0.00 ATOM 899 NH2 ARG 137 -4.672 -14.890 -8.691 1.00 0.00 ATOM 900 O ARG 137 -1.869 -21.889 -6.658 1.00 0.00 ATOM 901 C ARG 137 -2.756 -21.174 -7.100 1.00 0.00 TER END