PFRMAT TS TARGET T0263 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 results from sidechain replacement on the template of our METHOD best template (with SAM-T04, second best with SAM-T02): 1lq9A. METHOD The sidechains were optimized by SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0263-1lq9A-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD REMARK 6 REMARK 6 T0263 model 5 Thu Aug 26 22:57:08 2004 MODEL 5 PARENT 1lq9_A ATOM 1 N MET 1 45.985 37.172 -8.546 1.00 0.00 ATOM 2 CA MET 1 44.728 36.887 -7.815 1.00 0.00 ATOM 3 CB MET 1 45.033 36.349 -6.415 1.00 0.00 ATOM 4 CG MET 1 43.798 35.978 -5.610 1.00 0.00 ATOM 5 SD MET 1 43.035 37.403 -4.810 1.00 0.00 ATOM 6 CE MET 1 44.230 37.746 -3.520 1.00 0.00 ATOM 7 O MET 1 44.194 39.003 -6.809 1.00 0.00 ATOM 8 C MET 1 43.921 38.180 -7.695 1.00 0.00 ATOM 9 N ALA 2 42.862 38.311 -8.491 1.00 0.00 ATOM 10 CA ALA 2 42.049 39.505 -8.497 1.00 0.00 ATOM 11 CB ALA 2 41.718 39.913 -9.924 1.00 0.00 ATOM 12 O ALA 2 40.083 40.359 -7.486 1.00 0.00 ATOM 13 C ALA 2 40.739 39.339 -7.772 1.00 0.00 ATOM 14 N THR 3 40.352 38.107 -7.394 1.00 0.00 ATOM 15 CA THR 3 39.017 37.908 -6.776 1.00 0.00 ATOM 16 CB THR 3 37.919 37.743 -7.842 1.00 0.00 ATOM 17 CG2 THR 3 38.177 36.503 -8.683 1.00 0.00 ATOM 18 OG1 THR 3 36.644 37.615 -7.203 1.00 0.00 ATOM 19 O THR 3 39.675 35.640 -6.376 1.00 0.00 ATOM 20 C THR 3 39.112 36.653 -5.933 1.00 0.00 ATOM 21 N LEU 4 38.555 36.734 -4.751 1.00 0.00 ATOM 22 CA LEU 4 38.546 35.586 -3.817 1.00 0.00 ATOM 23 CB LEU 4 39.450 35.865 -2.615 1.00 0.00 ATOM 24 CG LEU 4 39.490 34.785 -1.532 1.00 0.00 ATOM 25 CD1 LEU 4 40.191 33.536 -2.043 1.00 0.00 ATOM 26 CD2 LEU 4 40.239 35.282 -0.305 1.00 0.00 ATOM 27 O LEU 4 36.417 36.314 -3.011 1.00 0.00 ATOM 28 C LEU 4 37.131 35.352 -3.328 1.00 0.00 ATOM 29 N LEU 5 36.794 34.087 -3.192 1.00 0.00 ATOM 30 CA LEU 5 35.563 33.717 -2.504 1.00 0.00 ATOM 31 CB LEU 5 34.651 32.916 -3.434 1.00 0.00 ATOM 32 CG LEU 5 34.189 33.627 -4.708 1.00 0.00 ATOM 33 CD1 LEU 5 33.401 32.677 -5.598 1.00 0.00 ATOM 34 CD2 LEU 5 33.296 34.810 -4.369 1.00 0.00 ATOM 35 O LEU 5 36.793 31.953 -1.430 1.00 0.00 ATOM 36 C LEU 5 35.965 32.864 -1.291 1.00 0.00 ATOM 37 N GLN 6 35.371 33.171 -0.145 1.00 0.00 ATOM 38 CA GLN 6 35.503 32.347 1.051 1.00 0.00 ATOM 39 CB GLN 6 35.943 33.200 2.244 1.00 0.00 ATOM 40 CG GLN 6 36.147 32.412 3.527 1.00 0.00 ATOM 41 CD GLN 6 36.686 33.269 4.657 1.00 0.00 ATOM 42 OE1 GLN 6 36.902 34.468 4.488 1.00 0.00 ATOM 43 NE2 GLN 6 36.903 32.653 5.813 1.00 0.00 ATOM 44 O GLN 6 33.197 32.492 1.574 1.00 0.00 ATOM 45 C GLN 6 34.130 31.738 1.306 1.00 0.00 ATOM 46 N LEU 7 34.029 30.413 1.197 1.00 0.00 ATOM 47 CA LEU 7 32.738 29.735 1.303 1.00 0.00 ATOM 48 CB LEU 7 32.461 28.908 0.045 1.00 0.00 ATOM 49 CG LEU 7 32.388 29.681 -1.273 1.00 0.00 ATOM 50 CD1 LEU 7 32.243 28.730 -2.449 1.00 0.00 ATOM 51 CD2 LEU 7 31.197 30.628 -1.275 1.00 0.00 ATOM 52 O LEU 7 33.653 27.955 2.609 1.00 0.00 ATOM 53 C LEU 7 32.765 28.812 2.514 1.00 0.00 ATOM 54 N HIS 8 31.797 28.998 3.396 1.00 0.00 ATOM 55 CA HIS 8 31.737 28.203 4.629 1.00 0.00 ATOM 56 CB HIS 8 31.590 29.116 5.848 1.00 0.00 ATOM 57 CG HIS 8 32.746 30.046 6.050 1.00 0.00 ATOM 58 CD2 HIS 8 33.054 31.415 5.667 1.00 0.00 ATOM 59 ND1 HIS 8 33.879 29.684 6.744 1.00 0.00 ATOM 60 CE1 HIS 8 34.735 30.723 6.755 1.00 0.00 ATOM 61 NE2 HIS 8 34.245 31.765 6.112 1.00 0.00 ATOM 62 O HIS 8 29.410 27.704 4.346 1.00 0.00 ATOM 63 C HIS 8 30.547 27.263 4.575 1.00 0.00 ATOM 64 N PHE 9 30.813 25.990 4.815 1.00 0.00 ATOM 65 CA PHE 9 29.806 24.934 4.812 1.00 0.00 ATOM 66 CB PHE 9 30.262 23.761 3.943 1.00 0.00 ATOM 67 CG PHE 9 30.347 24.088 2.479 1.00 0.00 ATOM 68 CD1 PHE 9 31.519 24.580 1.932 1.00 0.00 ATOM 69 CD2 PHE 9 29.255 23.902 1.649 1.00 0.00 ATOM 70 CE1 PHE 9 31.598 24.880 0.586 1.00 0.00 ATOM 71 CE2 PHE 9 29.334 24.202 0.303 1.00 0.00 ATOM 72 CZ PHE 9 30.498 24.690 -0.230 1.00 0.00 ATOM 73 O PHE 9 30.525 23.904 6.844 1.00 0.00 ATOM 74 C PHE 9 29.609 24.465 6.239 1.00 0.00 ATOM 75 N ALA 10 28.422 24.650 6.809 1.00 0.00 ATOM 76 CA ALA 10 28.174 24.224 8.204 1.00 0.00 ATOM 77 CB ALA 10 26.967 24.954 8.774 1.00 0.00 ATOM 78 O ALA 10 27.050 22.214 7.480 1.00 0.00 ATOM 79 C ALA 10 27.911 22.733 8.238 1.00 0.00 ATOM 80 N PHE 11 28.606 21.999 9.113 1.00 0.00 ATOM 81 CA PHE 11 28.483 20.530 9.173 1.00 0.00 ATOM 82 CB PHE 11 29.763 19.865 8.662 1.00 0.00 ATOM 83 CG PHE 11 30.116 20.233 7.250 1.00 0.00 ATOM 84 CD1 PHE 11 30.967 21.290 6.986 1.00 0.00 ATOM 85 CD2 PHE 11 29.594 19.519 6.183 1.00 0.00 ATOM 86 CE1 PHE 11 31.293 21.629 5.686 1.00 0.00 ATOM 87 CE2 PHE 11 29.919 19.859 4.884 1.00 0.00 ATOM 88 CZ PHE 11 30.764 20.907 4.632 1.00 0.00 ATOM 89 O PHE 11 28.447 20.872 11.561 1.00 0.00 ATOM 90 C PHE 11 28.243 20.110 10.611 1.00 0.00 ATOM 91 N ASN 12 27.877 18.823 10.774 1.00 0.00 ATOM 92 CA ASN 12 27.503 18.337 12.103 1.00 0.00 ATOM 93 CB ASN 12 26.496 17.191 11.991 1.00 0.00 ATOM 94 CG ASN 12 25.131 17.657 11.524 1.00 0.00 ATOM 95 ND2 ASN 12 24.374 18.267 12.430 1.00 0.00 ATOM 96 OD1 ASN 12 24.764 17.472 10.364 1.00 0.00 ATOM 97 O ASN 12 28.432 17.371 14.041 1.00 0.00 ATOM 98 C ASN 12 28.659 17.821 12.895 1.00 0.00 ATOM 99 N GLY 13 29.903 17.807 12.408 1.00 0.00 ATOM 100 CA GLY 13 31.049 17.379 13.176 1.00 0.00 ATOM 101 O GLY 13 32.091 16.965 11.026 1.00 0.00 ATOM 102 C GLY 13 32.168 16.907 12.292 1.00 0.00 ATOM 103 N PRO 14 33.289 16.449 12.872 1.00 0.00 ATOM 104 CA PRO 14 34.493 16.103 12.131 1.00 0.00 ATOM 105 CB PRO 14 35.491 15.698 13.218 1.00 0.00 ATOM 106 CG PRO 14 34.643 15.327 14.387 1.00 0.00 ATOM 107 CD PRO 14 33.443 16.230 14.333 1.00 0.00 ATOM 108 O PRO 14 34.994 15.002 10.099 1.00 0.00 ATOM 109 C PRO 14 34.328 14.989 11.157 1.00 0.00 ATOM 110 N PHE 15 33.473 13.984 11.412 1.00 0.00 ATOM 111 CA PHE 15 33.318 12.918 10.421 1.00 0.00 ATOM 112 CB PHE 15 32.345 11.853 10.929 1.00 0.00 ATOM 113 CG PHE 15 32.125 10.723 9.964 1.00 0.00 ATOM 114 CD1 PHE 15 33.055 9.706 9.843 1.00 0.00 ATOM 115 CD2 PHE 15 30.986 10.678 9.178 1.00 0.00 ATOM 116 CE1 PHE 15 32.852 8.668 8.954 1.00 0.00 ATOM 117 CE2 PHE 15 30.784 9.640 8.289 1.00 0.00 ATOM 118 CZ PHE 15 31.711 8.636 8.175 1.00 0.00 ATOM 119 O PHE 15 33.221 13.162 8.010 1.00 0.00 ATOM 120 C PHE 15 32.774 13.505 9.116 1.00 0.00 ATOM 121 N GLY 16 31.798 14.391 9.242 1.00 0.00 ATOM 122 CA GLY 16 31.244 15.055 8.040 1.00 0.00 ATOM 123 O GLY 16 32.321 16.119 6.206 1.00 0.00 ATOM 124 C GLY 16 32.248 16.018 7.443 1.00 0.00 ATOM 128 N ALA 20 33.060 16.722 8.235 1.00 0.00 ATOM 129 CA ALA 20 34.099 17.553 7.628 1.00 0.00 ATOM 130 CB ALA 20 34.997 18.149 8.702 1.00 0.00 ATOM 131 O ALA 20 35.286 17.143 5.574 1.00 0.00 ATOM 132 C ALA 20 34.958 16.721 6.685 1.00 0.00 ATOM 133 N GLU 21 35.365 15.532 7.166 1.00 0.00 ATOM 134 CA GLU 21 36.242 14.691 6.357 1.00 0.00 ATOM 135 CB GLU 21 36.674 13.454 7.146 1.00 0.00 ATOM 136 CG GLU 21 37.630 13.750 8.290 1.00 0.00 ATOM 137 CD GLU 21 37.925 12.526 9.136 1.00 0.00 ATOM 138 OE1 GLU 21 37.326 11.462 8.870 1.00 0.00 ATOM 139 OE2 GLU 21 38.753 12.631 10.066 1.00 0.00 ATOM 140 O GLU 21 36.089 14.289 4.016 1.00 0.00 ATOM 141 C GLU 21 35.540 14.231 5.104 1.00 0.00 ATOM 142 N GLN 22 34.308 13.770 5.215 1.00 0.00 ATOM 143 CA GLN 22 33.548 13.312 4.040 1.00 0.00 ATOM 144 CB GLN 22 32.168 12.798 4.460 1.00 0.00 ATOM 145 CG GLN 22 31.357 12.199 3.324 1.00 0.00 ATOM 146 CD GLN 22 32.004 10.959 2.738 1.00 0.00 ATOM 147 OE1 GLN 22 32.450 10.075 3.470 1.00 0.00 ATOM 148 NE2 GLN 22 32.056 10.891 1.413 1.00 0.00 ATOM 149 O GLN 22 33.406 14.222 1.843 1.00 0.00 ATOM 150 C GLN 22 33.350 14.436 3.052 1.00 0.00 ATOM 151 N LEU 23 33.112 15.662 3.513 1.00 0.00 ATOM 152 CA LEU 23 32.878 16.773 2.600 1.00 0.00 ATOM 153 CB LEU 23 32.400 18.007 3.369 1.00 0.00 ATOM 154 CG LEU 23 32.088 19.249 2.530 1.00 0.00 ATOM 155 CD1 LEU 23 30.976 18.959 1.534 1.00 0.00 ATOM 156 CD2 LEU 23 31.641 20.398 3.420 1.00 0.00 ATOM 157 O LEU 23 34.108 17.395 0.641 1.00 0.00 ATOM 158 C LEU 23 34.151 17.137 1.858 1.00 0.00 ATOM 159 N LYS 24 35.294 17.174 2.540 1.00 0.00 ATOM 160 CA LYS 24 36.534 17.443 1.810 1.00 0.00 ATOM 161 CB LYS 24 37.709 17.570 2.780 1.00 0.00 ATOM 162 CG LYS 24 39.032 17.911 2.112 1.00 0.00 ATOM 163 CD LYS 24 40.133 18.113 3.138 1.00 0.00 ATOM 164 CE LYS 24 41.461 18.430 2.469 1.00 0.00 ATOM 165 NZ LYS 24 42.556 18.609 3.462 1.00 0.00 ATOM 166 O LYS 24 37.251 16.564 -0.297 1.00 0.00 ATOM 167 C LYS 24 36.812 16.291 0.835 1.00 0.00 ATOM 168 N PRO 25 36.589 15.043 1.226 1.00 0.00 ATOM 169 CA PRO 25 36.798 13.877 0.336 1.00 0.00 ATOM 170 CB PRO 25 36.408 12.675 1.200 1.00 0.00 ATOM 171 CG PRO 25 36.680 13.119 2.599 1.00 0.00 ATOM 172 CD PRO 25 36.283 14.568 2.661 1.00 0.00 ATOM 173 O PRO 25 36.321 13.725 -2.022 1.00 0.00 ATOM 174 C PRO 25 35.907 14.006 -0.903 1.00 0.00 ATOM 175 N LEU 26 34.658 14.476 -0.708 1.00 0.00 ATOM 176 CA LEU 26 33.759 14.677 -1.839 1.00 0.00 ATOM 177 CB LEU 26 32.353 15.029 -1.349 1.00 0.00 ATOM 178 CG LEU 26 31.576 13.906 -0.658 1.00 0.00 ATOM 179 CD1 LEU 26 30.283 14.438 -0.059 1.00 0.00 ATOM 180 CD2 LEU 26 31.224 12.807 -1.649 1.00 0.00 ATOM 181 O LEU 26 34.342 15.671 -3.957 1.00 0.00 ATOM 182 C LEU 26 34.252 15.803 -2.716 1.00 0.00 ATOM 183 N ALA 27 34.643 16.934 -2.145 1.00 0.00 ATOM 184 CA ALA 27 35.029 18.087 -2.925 1.00 0.00 ATOM 185 CB ALA 27 35.346 19.262 -2.012 1.00 0.00 ATOM 186 O ALA 27 36.400 18.319 -4.860 1.00 0.00 ATOM 187 C ALA 27 36.263 17.783 -3.761 1.00 0.00 ATOM 188 N GLU 28 36.756 17.837 -11.194 1.00 0.00 ATOM 189 CA GLU 28 37.888 17.770 -12.070 1.00 0.00 ATOM 190 CB GLU 28 37.989 16.383 -12.709 1.00 0.00 ATOM 191 CG GLU 28 38.399 15.284 -11.744 1.00 0.00 ATOM 192 CD GLU 28 38.368 13.908 -12.381 1.00 0.00 ATOM 193 OE1 GLU 28 37.956 13.806 -13.556 1.00 0.00 ATOM 194 OE2 GLU 28 38.758 12.932 -11.705 1.00 0.00 ATOM 195 O GLU 28 38.759 19.450 -13.565 1.00 0.00 ATOM 196 C GLU 28 37.750 18.815 -13.182 1.00 0.00 ATOM 197 N SER 29 36.534 19.054 -13.714 1.00 0.00 ATOM 198 CA SER 29 36.356 20.006 -14.802 1.00 0.00 ATOM 199 CB SER 29 34.878 20.113 -15.184 1.00 0.00 ATOM 200 OG SER 29 34.118 20.669 -14.126 1.00 0.00 ATOM 201 O SER 29 37.165 22.193 -15.379 1.00 0.00 ATOM 202 C SER 29 36.820 21.413 -14.477 1.00 0.00 ATOM 203 N ILE 30 36.830 21.811 -13.177 1.00 0.00 ATOM 204 CA ILE 30 37.120 23.212 -12.889 1.00 0.00 ATOM 205 CB ILE 30 36.768 23.574 -11.435 1.00 0.00 ATOM 206 CG1 ILE 30 37.630 22.767 -10.461 1.00 0.00 ATOM 207 CG2 ILE 30 35.306 23.271 -11.148 1.00 0.00 ATOM 208 CD1 ILE 30 37.489 23.199 -9.017 1.00 0.00 ATOM 209 O ILE 30 38.976 24.693 -13.285 1.00 0.00 ATOM 210 C ILE 30 38.572 23.546 -13.084 1.00 0.00 ATOM 211 N ASN 31 39.428 22.495 -13.002 1.00 0.00 ATOM 212 CA ASN 31 40.852 22.763 -12.964 1.00 0.00 ATOM 213 CB ASN 31 41.642 21.455 -12.894 1.00 0.00 ATOM 214 CG ASN 31 41.548 20.789 -11.534 1.00 0.00 ATOM 215 ND2 ASN 31 41.834 19.493 -11.490 1.00 0.00 ATOM 216 OD1 ASN 31 41.221 21.434 -10.538 1.00 0.00 ATOM 217 O ASN 31 42.291 24.353 -13.932 1.00 0.00 ATOM 218 C ASN 31 41.403 23.516 -14.156 1.00 0.00 ATOM 219 N GLN 32 40.837 23.279 -15.323 1.00 0.00 ATOM 220 CA GLN 32 41.391 23.912 -16.535 1.00 0.00 ATOM 221 CB GLN 32 41.420 22.915 -17.695 1.00 0.00 ATOM 222 CG GLN 32 42.240 21.665 -17.417 1.00 0.00 ATOM 223 CD GLN 32 43.703 21.970 -17.165 1.00 0.00 ATOM 224 OE1 GLN 32 44.325 22.731 -17.907 1.00 0.00 ATOM 225 NE2 GLN 32 44.258 21.377 -16.114 1.00 0.00 ATOM 226 O GLN 32 40.822 25.662 -18.026 1.00 0.00 ATOM 227 C GLN 32 40.578 25.096 -16.975 1.00 0.00 ATOM 228 N GLU 33 39.568 25.528 -16.234 1.00 0.00 ATOM 229 CA GLU 33 38.743 26.682 -16.647 1.00 0.00 ATOM 230 CB GLU 33 37.557 26.860 -15.698 1.00 0.00 ATOM 231 CG GLU 33 36.603 27.972 -16.099 1.00 0.00 ATOM 232 CD GLU 33 35.412 28.082 -15.167 1.00 0.00 ATOM 233 OE1 GLU 33 35.339 27.296 -14.199 1.00 0.00 ATOM 234 OE2 GLU 33 34.550 28.955 -15.405 1.00 0.00 ATOM 235 O GLU 33 40.317 28.189 -15.641 1.00 0.00 ATOM 236 C GLU 33 39.587 27.924 -16.620 1.00 0.00 ATOM 237 N PRO 34 39.439 28.802 -17.615 1.00 0.00 ATOM 238 CA PRO 34 40.240 30.019 -17.610 1.00 0.00 ATOM 239 CB PRO 34 39.837 30.732 -18.902 1.00 0.00 ATOM 240 CG PRO 34 39.364 29.639 -19.801 1.00 0.00 ATOM 241 CD PRO 34 38.652 28.652 -18.918 1.00 0.00 ATOM 242 O PRO 34 38.788 31.130 -16.030 1.00 0.00 ATOM 243 C PRO 34 39.945 30.874 -16.400 1.00 0.00 ATOM 244 N GLY 35 40.981 31.339 -15.722 1.00 0.00 ATOM 245 CA GLY 35 40.871 32.237 -14.586 1.00 0.00 ATOM 246 O GLY 35 41.009 32.177 -12.227 1.00 0.00 ATOM 247 C GLY 35 40.840 31.510 -13.258 1.00 0.00 ATOM 248 N PHE 36 40.632 30.194 -13.219 1.00 0.00 ATOM 249 CA PHE 36 40.628 29.457 -11.971 1.00 0.00 ATOM 250 CB PHE 36 40.039 28.060 -12.172 1.00 0.00 ATOM 251 CG PHE 36 39.947 27.253 -10.909 1.00 0.00 ATOM 252 CD1 PHE 36 38.946 27.497 -9.986 1.00 0.00 ATOM 253 CD2 PHE 36 40.861 26.248 -10.645 1.00 0.00 ATOM 254 CE1 PHE 36 38.862 26.754 -8.824 1.00 0.00 ATOM 255 CE2 PHE 36 40.777 25.505 -9.483 1.00 0.00 ATOM 256 CZ PHE 36 39.783 25.755 -8.574 1.00 0.00 ATOM 257 O PHE 36 42.917 28.791 -12.179 1.00 0.00 ATOM 258 C PHE 36 42.054 29.319 -11.449 1.00 0.00 ATOM 259 N LEU 37 42.321 29.731 -10.235 1.00 0.00 ATOM 260 CA LEU 37 43.660 29.584 -9.669 1.00 0.00 ATOM 261 CB LEU 37 44.118 30.896 -9.026 1.00 0.00 ATOM 262 CG LEU 37 44.229 32.105 -9.958 1.00 0.00 ATOM 263 CD1 LEU 37 44.600 33.355 -9.174 1.00 0.00 ATOM 264 CD2 LEU 37 45.297 31.872 -11.016 1.00 0.00 ATOM 265 O LEU 37 44.686 27.749 -8.579 1.00 0.00 ATOM 266 C LEU 37 43.724 28.516 -8.606 1.00 0.00 ATOM 267 N TRP 38 42.789 28.435 -7.692 1.00 0.00 ATOM 268 CA TRP 38 42.813 27.403 -6.690 1.00 0.00 ATOM 269 CB TRP 38 43.974 27.625 -5.719 1.00 0.00 ATOM 270 CG TRP 38 44.229 26.459 -4.813 1.00 0.00 ATOM 271 CD1 TRP 38 43.894 26.358 -3.493 1.00 0.00 ATOM 272 CD2 TRP 38 44.870 25.226 -5.160 1.00 0.00 ATOM 273 CE2 TRP 38 44.892 24.427 -4.001 1.00 0.00 ATOM 274 CE3 TRP 38 45.431 24.720 -6.337 1.00 0.00 ATOM 275 NE1 TRP 38 44.289 25.140 -2.995 1.00 0.00 ATOM 276 CZ2 TRP 38 45.450 23.149 -3.983 1.00 0.00 ATOM 277 CZ3 TRP 38 45.983 23.455 -6.316 1.00 0.00 ATOM 278 CH2 TRP 38 45.991 22.680 -5.150 1.00 0.00 ATOM 279 O TRP 38 40.786 28.375 -5.775 1.00 0.00 ATOM 280 C TRP 38 41.521 27.392 -5.889 1.00 0.00 ATOM 281 N LYS 39 41.306 26.261 -5.215 1.00 0.00 ATOM 282 CA LYS 39 40.280 26.139 -4.180 1.00 0.00 ATOM 283 CB LYS 39 39.027 25.468 -4.745 1.00 0.00 ATOM 284 CG LYS 39 38.327 26.274 -5.828 1.00 0.00 ATOM 285 CD LYS 39 37.136 25.518 -6.397 1.00 0.00 ATOM 286 CE LYS 39 36.441 26.321 -7.484 1.00 0.00 ATOM 287 NZ LYS 39 35.309 25.567 -8.092 1.00 0.00 ATOM 288 O LYS 39 41.264 24.144 -3.318 1.00 0.00 ATOM 289 C LYS 39 40.879 25.292 -3.074 1.00 0.00 ATOM 290 N VAL 40 41.022 25.826 -1.880 1.00 0.00 ATOM 291 CA VAL 40 41.625 25.100 -0.750 1.00 0.00 ATOM 292 CB VAL 40 42.771 25.905 -0.110 1.00 0.00 ATOM 293 CG1 VAL 40 43.353 25.152 1.077 1.00 0.00 ATOM 294 CG2 VAL 40 43.884 26.145 -1.120 1.00 0.00 ATOM 295 O VAL 40 39.951 25.850 0.794 1.00 0.00 ATOM 296 C VAL 40 40.542 24.862 0.284 1.00 0.00 ATOM 297 N TRP 41 40.292 23.618 0.605 1.00 0.00 ATOM 298 CA TRP 41 39.283 23.231 1.603 1.00 0.00 ATOM 299 CB TRP 41 38.536 21.974 1.151 1.00 0.00 ATOM 300 CG TRP 41 37.555 22.225 0.048 1.00 0.00 ATOM 301 CD1 TRP 41 36.232 22.534 0.182 1.00 0.00 ATOM 302 CD2 TRP 41 37.818 22.188 -1.361 1.00 0.00 ATOM 303 CE2 TRP 41 36.608 22.485 -2.019 1.00 0.00 ATOM 304 CE3 TRP 41 38.958 21.934 -2.129 1.00 0.00 ATOM 305 NE1 TRP 41 35.653 22.692 -1.055 1.00 0.00 ATOM 306 CZ2 TRP 41 36.506 22.533 -3.408 1.00 0.00 ATOM 307 CZ3 TRP 41 38.851 21.984 -3.506 1.00 0.00 ATOM 308 CH2 TRP 41 37.637 22.281 -4.133 1.00 0.00 ATOM 309 O TRP 41 40.908 22.185 2.991 1.00 0.00 ATOM 310 C TRP 41 39.950 22.947 2.925 1.00 0.00 ATOM 311 N THR 42 39.393 23.545 3.966 1.00 0.00 ATOM 312 CA THR 42 39.932 23.477 5.307 1.00 0.00 ATOM 313 CB THR 42 40.369 24.865 5.811 1.00 0.00 ATOM 314 CG2 THR 42 41.421 25.461 4.889 1.00 0.00 ATOM 315 OG1 THR 42 39.233 25.740 5.850 1.00 0.00 ATOM 316 O THR 42 37.695 23.246 6.109 1.00 0.00 ATOM 317 C THR 42 38.867 22.931 6.240 1.00 0.00 ATOM 318 N GLU 43 39.307 22.183 7.255 1.00 0.00 ATOM 319 CA GLU 43 38.394 21.758 8.327 1.00 0.00 ATOM 320 CB GLU 43 38.725 20.335 8.780 1.00 0.00 ATOM 321 CG GLU 43 37.832 19.816 9.897 1.00 0.00 ATOM 322 CD GLU 43 38.200 18.411 10.330 1.00 0.00 ATOM 323 OE1 GLU 43 39.155 17.842 9.758 1.00 0.00 ATOM 324 OE2 GLU 43 37.534 17.876 11.241 1.00 0.00 ATOM 325 O GLU 43 39.697 22.886 10.016 1.00 0.00 ATOM 326 C GLU 43 38.585 22.745 9.478 1.00 0.00 ATOM 327 N SER 44 37.524 23.393 9.936 1.00 0.00 ATOM 328 CA SER 44 37.653 24.228 11.146 1.00 0.00 ATOM 329 CB SER 44 36.318 24.897 11.481 1.00 0.00 ATOM 330 OG SER 44 36.409 25.644 12.682 1.00 0.00 ATOM 331 O SER 44 37.683 22.169 12.425 1.00 0.00 ATOM 332 C SER 44 38.078 23.341 12.298 1.00 0.00 ATOM 333 N GLU 45 38.921 23.874 13.189 1.00 0.00 ATOM 334 CA GLU 45 39.455 23.068 14.278 1.00 0.00 ATOM 335 CB GLU 45 40.514 23.852 15.055 1.00 0.00 ATOM 336 CG GLU 45 41.803 24.087 14.286 1.00 0.00 ATOM 337 CD GLU 45 42.800 24.927 15.059 1.00 0.00 ATOM 338 OE1 GLU 45 42.466 25.359 16.182 1.00 0.00 ATOM 339 OE2 GLU 45 43.914 25.154 14.542 1.00 0.00 ATOM 340 O GLU 45 38.494 21.612 15.923 1.00 0.00 ATOM 341 C GLU 45 38.370 22.661 15.250 1.00 0.00 ATOM 342 N LYS 46 37.250 23.383 15.321 1.00 0.00 ATOM 343 CA LYS 46 36.172 23.052 16.234 1.00 0.00 ATOM 344 CB LYS 46 35.356 24.301 16.576 1.00 0.00 ATOM 345 CG LYS 46 36.133 25.358 17.344 1.00 0.00 ATOM 346 CD LYS 46 35.267 26.570 17.645 1.00 0.00 ATOM 347 CE LYS 46 36.058 27.649 18.366 1.00 0.00 ATOM 348 NZ LYS 46 35.214 28.832 18.690 1.00 0.00 ATOM 349 O LYS 46 34.234 21.684 16.320 1.00 0.00 ATOM 350 C LYS 46 35.212 22.028 15.648 1.00 0.00 ATOM 351 N ASN 47 35.440 21.520 14.447 1.00 0.00 ATOM 352 CA ASN 47 34.646 20.459 13.877 1.00 0.00 ATOM 353 CB ASN 47 34.209 19.473 14.963 1.00 0.00 ATOM 354 CG ASN 47 35.374 18.702 15.551 1.00 0.00 ATOM 355 ND2 ASN 47 35.249 18.315 16.815 1.00 0.00 ATOM 356 OD1 ASN 47 36.374 18.457 14.877 1.00 0.00 ATOM 357 O ASN 47 32.687 20.023 12.621 1.00 0.00 ATOM 358 C ASN 47 33.365 20.895 13.180 1.00 0.00 ATOM 359 N HIS 48 33.035 22.181 13.202 1.00 0.00 ATOM 360 CA HIS 48 31.710 22.616 12.780 1.00 0.00 ATOM 361 CB HIS 48 31.228 23.783 13.643 1.00 0.00 ATOM 362 CG HIS 48 31.049 23.432 15.088 1.00 0.00 ATOM 363 CD2 HIS 48 31.701 23.804 16.335 1.00 0.00 ATOM 364 ND1 HIS 48 30.080 22.557 15.527 1.00 0.00 ATOM 365 CE1 HIS 48 30.165 22.443 16.864 1.00 0.00 ATOM 366 NE2 HIS 48 31.135 23.189 17.356 1.00 0.00 ATOM 367 O HIS 48 30.475 23.334 10.900 1.00 0.00 ATOM 368 C HIS 48 31.588 23.096 11.353 1.00 0.00 ATOM 369 N GLU 49 32.707 23.297 10.642 1.00 0.00 ATOM 370 CA GLU 49 32.577 23.880 9.299 1.00 0.00 ATOM 371 CB GLU 49 32.613 25.408 9.373 1.00 0.00 ATOM 372 CG GLU 49 33.922 25.973 9.901 1.00 0.00 ATOM 373 CD GLU 49 33.895 27.483 10.030 1.00 0.00 ATOM 374 OE1 GLU 49 32.868 28.092 9.661 1.00 0.00 ATOM 375 OE2 GLU 49 34.899 28.058 10.501 1.00 0.00 ATOM 376 O GLU 49 34.804 23.072 8.888 1.00 0.00 ATOM 377 C GLU 49 33.715 23.406 8.426 1.00 0.00 ATOM 378 N ALA 50 33.438 23.422 7.107 1.00 0.00 ATOM 379 CA ALA 50 34.485 23.302 6.090 1.00 0.00 ATOM 380 CB ALA 50 34.134 22.207 5.094 1.00 0.00 ATOM 381 O ALA 50 33.488 25.231 5.078 1.00 0.00 ATOM 382 C ALA 50 34.538 24.672 5.409 1.00 0.00 ATOM 383 N GLY 51 35.727 25.186 5.199 1.00 0.00 ATOM 384 CA GLY 51 35.885 26.505 4.600 1.00 0.00 ATOM 385 O GLY 51 37.820 25.799 3.381 1.00 0.00 ATOM 386 C GLY 51 36.715 26.365 3.338 1.00 0.00 ATOM 387 N GLY 52 36.207 26.899 2.226 1.00 0.00 ATOM 388 CA GLY 52 36.931 26.924 0.958 1.00 0.00 ATOM 389 O GLY 52 36.651 29.298 0.724 1.00 0.00 ATOM 390 C GLY 52 37.460 28.363 0.758 1.00 0.00 ATOM 391 N ILE 53 38.761 28.505 0.606 1.00 0.00 ATOM 392 CA ILE 53 39.385 29.746 0.147 1.00 0.00 ATOM 393 CB ILE 53 40.700 30.028 0.895 1.00 0.00 ATOM 394 CG1 ILE 53 40.441 30.159 2.398 1.00 0.00 ATOM 395 CG2 ILE 53 41.330 31.321 0.400 1.00 0.00 ATOM 396 CD1 ILE 53 41.702 30.221 3.233 1.00 0.00 ATOM 397 O ILE 53 40.513 28.707 -1.679 1.00 0.00 ATOM 398 C ILE 53 39.658 29.561 -1.341 1.00 0.00 ATOM 399 N TYR 54 38.996 30.281 -2.200 1.00 0.00 ATOM 400 CA TYR 54 39.123 30.112 -3.652 1.00 0.00 ATOM 401 CB TYR 54 37.754 29.853 -4.283 1.00 0.00 ATOM 402 CG TYR 54 37.123 28.546 -3.861 1.00 0.00 ATOM 403 CD1 TYR 54 36.280 28.486 -2.758 1.00 0.00 ATOM 404 CD2 TYR 54 37.371 27.376 -4.566 1.00 0.00 ATOM 405 CE1 TYR 54 35.699 27.296 -2.365 1.00 0.00 ATOM 406 CE2 TYR 54 36.797 26.177 -4.189 1.00 0.00 ATOM 407 CZ TYR 54 35.956 26.146 -3.077 1.00 0.00 ATOM 408 OH TYR 54 35.379 24.958 -2.687 1.00 0.00 ATOM 409 O TYR 54 39.250 32.470 -4.071 1.00 0.00 ATOM 410 C TYR 54 39.711 31.354 -4.282 1.00 0.00 ATOM 411 N LEU 55 40.763 31.148 -5.079 1.00 0.00 ATOM 412 CA LEU 55 41.405 32.219 -5.822 1.00 0.00 ATOM 413 CB LEU 55 42.928 32.108 -5.717 1.00 0.00 ATOM 414 CG LEU 55 43.518 32.208 -4.308 1.00 0.00 ATOM 415 CD1 LEU 55 45.025 32.004 -4.341 1.00 0.00 ATOM 416 CD2 LEU 55 43.235 33.574 -3.702 1.00 0.00 ATOM 417 O LEU 55 41.143 31.143 -7.933 1.00 0.00 ATOM 418 C LEU 55 41.033 32.174 -7.301 1.00 0.00 ATOM 419 N PHE 56 40.693 33.364 -7.815 1.00 0.00 ATOM 420 CA PHE 56 40.337 33.543 -9.213 1.00 0.00 ATOM 421 CB PHE 56 38.841 33.822 -9.353 1.00 0.00 ATOM 422 CG PHE 56 37.966 32.703 -8.863 1.00 0.00 ATOM 423 CD1 PHE 56 37.493 32.694 -7.561 1.00 0.00 ATOM 424 CD2 PHE 56 37.617 31.659 -9.702 1.00 0.00 ATOM 425 CE1 PHE 56 36.689 31.666 -7.110 1.00 0.00 ATOM 426 CE2 PHE 56 36.813 30.629 -9.249 1.00 0.00 ATOM 427 CZ PHE 56 36.349 30.630 -7.959 1.00 0.00 ATOM 428 O PHE 56 41.454 35.688 -9.034 1.00 0.00 ATOM 429 C PHE 56 41.129 34.719 -9.754 1.00 0.00 ATOM 430 N THR 57 41.361 34.729 -11.088 1.00 0.00 ATOM 431 CA THR 57 42.087 35.867 -11.682 1.00 0.00 ATOM 432 CB THR 57 42.406 35.621 -13.168 1.00 0.00 ATOM 433 CG2 THR 57 43.119 36.824 -13.766 1.00 0.00 ATOM 434 OG1 THR 57 43.249 34.470 -13.294 1.00 0.00 ATOM 435 O THR 57 41.820 38.224 -11.465 1.00 0.00 ATOM 436 C THR 57 41.264 37.136 -11.588 1.00 0.00 ATOM 437 N ASP 58 39.939 37.041 -11.739 1.00 0.00 ATOM 438 CA ASP 58 39.117 38.248 -11.729 1.00 0.00 ATOM 439 CB ASP 58 39.195 38.962 -13.081 1.00 0.00 ATOM 440 CG ASP 58 38.819 40.427 -12.989 1.00 0.00 ATOM 441 OD1 ASP 58 38.517 40.895 -11.870 1.00 0.00 ATOM 442 OD2 ASP 58 38.825 41.109 -14.035 1.00 0.00 ATOM 443 O ASP 58 37.301 36.649 -11.611 1.00 0.00 ATOM 444 C ASP 58 37.690 37.817 -11.448 1.00 0.00 ATOM 445 N GLU 59 36.874 38.813 -11.073 1.00 0.00 ATOM 446 CA GLU 59 35.447 38.567 -10.893 1.00 0.00 ATOM 447 CB GLU 59 34.749 39.825 -10.373 1.00 0.00 ATOM 448 CG GLU 59 35.089 40.176 -8.934 1.00 0.00 ATOM 449 CD GLU 59 34.478 41.492 -8.495 1.00 0.00 ATOM 450 OE1 GLU 59 33.850 42.165 -9.338 1.00 0.00 ATOM 451 OE2 GLU 59 34.628 41.850 -7.307 1.00 0.00 ATOM 452 O GLU 59 33.937 37.293 -12.269 1.00 0.00 ATOM 453 C GLU 59 34.818 38.168 -12.233 1.00 0.00 ATOM 454 N LYS 60 35.278 38.788 -13.341 1.00 0.00 ATOM 455 CA LYS 60 34.692 38.403 -14.609 1.00 0.00 ATOM 456 CB LYS 60 35.287 39.232 -15.749 1.00 0.00 ATOM 457 CG LYS 60 34.862 40.690 -15.743 1.00 0.00 ATOM 458 CD LYS 60 35.487 41.453 -16.901 1.00 0.00 ATOM 459 CE LYS 60 35.081 42.918 -16.880 1.00 0.00 ATOM 460 NZ LYS 60 35.713 43.684 -17.989 1.00 0.00 ATOM 461 O LYS 60 34.031 36.221 -15.388 1.00 0.00 ATOM 462 C LYS 60 34.936 36.950 -14.927 1.00 0.00 ATOM 463 N SER 61 36.173 36.458 -14.696 1.00 0.00 ATOM 464 CA SER 61 36.462 35.063 -15.011 1.00 0.00 ATOM 465 CB SER 61 37.935 34.748 -14.740 1.00 0.00 ATOM 466 OG SER 61 38.782 35.464 -15.620 1.00 0.00 ATOM 467 O SER 61 35.129 33.109 -14.611 1.00 0.00 ATOM 468 C SER 61 35.611 34.149 -14.163 1.00 0.00 ATOM 469 N ALA 62 35.465 34.488 -12.880 1.00 0.00 ATOM 470 CA ALA 62 34.621 33.694 -11.975 1.00 0.00 ATOM 471 CB ALA 62 34.600 34.315 -10.587 1.00 0.00 ATOM 472 O ALA 62 32.556 32.598 -12.567 1.00 0.00 ATOM 473 C ALA 62 33.189 33.645 -12.521 1.00 0.00 ATOM 474 N LEU 63 32.642 34.811 -12.899 1.00 0.00 ATOM 475 CA LEU 63 31.257 34.884 -13.343 1.00 0.00 ATOM 476 CB LEU 63 30.850 36.338 -13.592 1.00 0.00 ATOM 477 CG LEU 63 30.735 37.230 -12.354 1.00 0.00 ATOM 478 CD1 LEU 63 30.502 38.679 -12.756 1.00 0.00 ATOM 479 CD2 LEU 63 29.575 36.786 -11.476 1.00 0.00 ATOM 480 O LEU 63 30.041 33.399 -14.808 1.00 0.00 ATOM 481 C LEU 63 31.045 34.107 -14.646 1.00 0.00 ATOM 482 N ALA 64 31.957 34.275 -15.609 1.00 0.00 ATOM 483 CA ALA 64 31.818 33.652 -16.916 1.00 0.00 ATOM 484 CB ALA 64 32.783 34.281 -17.909 1.00 0.00 ATOM 485 O ALA 64 31.379 31.413 -17.518 1.00 0.00 ATOM 486 C ALA 64 32.102 32.178 -16.887 1.00 0.00 ATOM 487 N TYR 65 27.508 23.491 -14.935 1.00 0.00 ATOM 488 CA TYR 65 28.254 22.547 -14.098 1.00 0.00 ATOM 489 CB TYR 65 29.637 22.280 -14.693 1.00 0.00 ATOM 490 CG TYR 65 29.612 21.435 -15.947 1.00 0.00 ATOM 491 CD1 TYR 65 29.795 22.012 -17.197 1.00 0.00 ATOM 492 CD2 TYR 65 29.410 20.063 -15.876 1.00 0.00 ATOM 493 CE1 TYR 65 29.774 21.248 -18.348 1.00 0.00 ATOM 494 CE2 TYR 65 29.385 19.283 -17.016 1.00 0.00 ATOM 495 CZ TYR 65 29.570 19.888 -18.258 1.00 0.00 ATOM 496 OH TYR 65 29.549 19.124 -19.402 1.00 0.00 ATOM 497 O TYR 65 28.581 22.315 -11.764 1.00 0.00 ATOM 498 C TYR 65 28.436 23.093 -12.702 1.00 0.00 ATOM 499 N LEU 66 28.412 24.419 -12.454 1.00 0.00 ATOM 500 CA LEU 66 28.522 24.941 -11.089 1.00 0.00 ATOM 501 CB LEU 66 28.696 26.461 -11.108 1.00 0.00 ATOM 502 CG LEU 66 30.015 26.985 -11.678 1.00 0.00 ATOM 503 CD1 LEU 66 29.992 28.502 -11.780 1.00 0.00 ATOM 504 CD2 LEU 66 31.182 26.585 -10.787 1.00 0.00 ATOM 505 O LEU 66 27.317 24.325 -9.128 1.00 0.00 ATOM 506 C LEU 66 27.244 24.581 -10.342 1.00 0.00 ATOM 507 N GLU 67 26.101 24.503 -11.013 1.00 0.00 ATOM 508 CA GLU 67 24.851 24.125 -10.325 1.00 0.00 ATOM 509 CB GLU 67 23.638 24.460 -11.196 1.00 0.00 ATOM 510 CG GLU 67 23.373 25.948 -11.346 1.00 0.00 ATOM 511 CD GLU 67 22.223 26.245 -12.287 1.00 0.00 ATOM 512 OE1 GLU 67 21.673 25.287 -12.871 1.00 0.00 ATOM 513 OE2 GLU 67 21.872 27.432 -12.440 1.00 0.00 ATOM 514 O GLU 67 24.453 22.162 -8.988 1.00 0.00 ATOM 515 C GLU 67 24.871 22.637 -10.051 1.00 0.00 ATOM 516 N LYS 68 25.493 21.845 -10.962 1.00 0.00 ATOM 517 CA LYS 68 25.625 20.400 -10.694 1.00 0.00 ATOM 518 CB LYS 68 26.179 19.675 -11.922 1.00 0.00 ATOM 519 CG LYS 68 25.206 19.598 -13.087 1.00 0.00 ATOM 520 CD LYS 68 25.817 18.862 -14.268 1.00 0.00 ATOM 521 CE LYS 68 24.859 18.814 -15.447 1.00 0.00 ATOM 522 NZ LYS 68 25.454 18.117 -16.620 1.00 0.00 ATOM 523 O LYS 68 26.330 19.291 -8.692 1.00 0.00 ATOM 524 C LYS 68 26.570 20.161 -9.525 1.00 0.00 ATOM 525 N HIS 69 27.654 20.956 -9.439 1.00 0.00 ATOM 526 CA HIS 69 28.592 20.829 -8.339 1.00 0.00 ATOM 527 CB HIS 69 29.813 21.723 -8.570 1.00 0.00 ATOM 528 CG HIS 69 30.846 21.623 -7.492 1.00 0.00 ATOM 529 CD2 HIS 69 31.336 22.502 -6.438 1.00 0.00 ATOM 530 ND1 HIS 69 31.619 20.498 -7.302 1.00 0.00 ATOM 531 CE1 HIS 69 32.450 20.707 -6.266 1.00 0.00 ATOM 532 NE2 HIS 69 32.286 21.907 -5.742 1.00 0.00 ATOM 533 O HIS 69 28.043 20.566 -5.993 1.00 0.00 ATOM 534 C HIS 69 27.908 21.247 -7.043 1.00 0.00 ATOM 535 N THR 70 27.122 22.325 -7.055 1.00 0.00 ATOM 536 CA THR 70 26.377 22.739 -5.881 1.00 0.00 ATOM 537 CB THR 70 25.541 24.001 -6.158 1.00 0.00 ATOM 538 CG2 THR 70 24.740 24.391 -4.924 1.00 0.00 ATOM 539 OG1 THR 70 26.411 25.086 -6.508 1.00 0.00 ATOM 540 O THR 70 25.399 21.278 -4.270 1.00 0.00 ATOM 541 C THR 70 25.432 21.613 -5.462 1.00 0.00 ATOM 542 N ALA 71 24.733 20.976 -6.406 1.00 0.00 ATOM 543 CA ALA 71 23.884 19.869 -6.015 1.00 0.00 ATOM 544 CB ALA 71 23.178 19.287 -7.229 1.00 0.00 ATOM 545 O ALA 71 24.256 18.160 -4.359 1.00 0.00 ATOM 546 C ALA 71 24.687 18.751 -5.360 1.00 0.00 ATOM 547 N ARG 72 25.826 18.379 -5.942 1.00 0.00 ATOM 548 CA ARG 72 26.641 17.309 -5.356 1.00 0.00 ATOM 549 CB ARG 72 27.907 17.083 -6.185 1.00 0.00 ATOM 550 CG ARG 72 27.656 16.444 -7.541 1.00 0.00 ATOM 551 CD ARG 72 28.945 16.292 -8.330 1.00 0.00 ATOM 552 NE ARG 72 28.714 15.724 -9.654 1.00 0.00 ATOM 553 CZ ARG 72 29.666 15.539 -10.565 1.00 0.00 ATOM 554 NH1 ARG 72 29.362 15.015 -11.745 1.00 0.00 ATOM 555 NH2 ARG 72 30.918 15.878 -10.293 1.00 0.00 ATOM 556 O ARG 72 26.989 16.792 -3.021 1.00 0.00 ATOM 557 C ARG 72 27.080 17.620 -3.938 1.00 0.00 ATOM 558 N LEU 73 27.601 18.826 -3.706 1.00 0.00 ATOM 559 CA LEU 73 28.056 19.170 -2.349 1.00 0.00 ATOM 560 CB LEU 73 28.798 20.508 -2.355 1.00 0.00 ATOM 561 CG LEU 73 30.145 20.533 -3.079 1.00 0.00 ATOM 562 CD1 LEU 73 30.696 21.950 -3.144 1.00 0.00 ATOM 563 CD2 LEU 73 31.160 19.659 -2.358 1.00 0.00 ATOM 564 O LEU 73 27.032 18.967 -0.214 1.00 0.00 ATOM 565 C LEU 73 26.888 19.286 -1.386 1.00 0.00 ATOM 566 N LYS 74 25.678 19.596 -1.860 1.00 0.00 ATOM 567 CA LYS 74 24.511 19.707 -0.992 1.00 0.00 ATOM 568 CB LYS 74 23.389 20.470 -1.699 1.00 0.00 ATOM 569 CG LYS 74 23.732 21.914 -2.030 1.00 0.00 ATOM 570 CD LYS 74 23.904 22.743 -0.768 1.00 0.00 ATOM 571 CE LYS 74 24.125 24.211 -1.099 1.00 0.00 ATOM 572 NZ LYS 74 24.299 25.036 0.129 1.00 0.00 ATOM 573 O LYS 74 23.141 18.244 0.311 1.00 0.00 ATOM 574 C LYS 74 23.975 18.341 -0.605 1.00 0.00 ATOM 575 N ASN 75 24.378 17.280 -1.304 1.00 0.00 ATOM 576 CA ASN 75 23.815 15.965 -1.142 1.00 0.00 ATOM 577 CB ASN 75 24.168 15.081 -2.339 1.00 0.00 ATOM 578 CG ASN 75 23.414 13.766 -2.335 1.00 0.00 ATOM 579 ND2 ASN 75 23.982 12.756 -2.984 1.00 0.00 ATOM 580 OD1 ASN 75 22.333 13.662 -1.754 1.00 0.00 ATOM 581 O ASN 75 23.751 14.185 0.430 1.00 0.00 ATOM 582 C ASN 75 24.291 15.237 0.080 1.00 0.00 ATOM 583 N LEU 76 24.848 15.222 6.807 1.00 0.00 ATOM 584 CA LEU 76 25.687 15.959 7.790 1.00 0.00 ATOM 585 CB LEU 76 27.080 15.333 7.881 1.00 0.00 ATOM 586 CG LEU 76 27.153 13.923 8.470 1.00 0.00 ATOM 587 CD1 LEU 76 28.570 13.378 8.388 1.00 0.00 ATOM 588 CD2 LEU 76 26.730 13.928 9.931 1.00 0.00 ATOM 589 O LEU 76 26.348 18.168 8.330 1.00 0.00 ATOM 590 C LEU 76 25.886 17.426 7.440 1.00 0.00 ATOM 591 N GLY 77 25.581 17.849 6.215 1.00 0.00 ATOM 592 CA GLY 77 25.623 19.280 5.859 1.00 0.00 ATOM 593 O GLY 77 23.260 19.510 6.048 1.00 0.00 ATOM 594 C GLY 77 24.387 19.897 6.465 1.00 0.00 ATOM 595 N VAL 78 24.486 20.868 7.366 1.00 0.00 ATOM 596 CA VAL 78 23.381 21.355 8.139 1.00 0.00 ATOM 597 CB VAL 78 23.812 21.726 9.570 1.00 0.00 ATOM 598 CG1 VAL 78 24.381 20.510 10.286 1.00 0.00 ATOM 599 CG2 VAL 78 24.878 22.809 9.541 1.00 0.00 ATOM 600 O VAL 78 21.674 23.006 8.248 1.00 0.00 ATOM 601 C VAL 78 22.687 22.573 7.635 1.00 0.00 ATOM 602 N GLU 79 23.156 23.175 6.602 1.00 0.00 ATOM 603 CA GLU 79 22.530 24.391 6.083 1.00 0.00 ATOM 604 CB GLU 79 22.679 25.540 7.083 1.00 0.00 ATOM 605 CG GLU 79 24.120 25.904 7.399 1.00 0.00 ATOM 606 CD GLU 79 24.232 26.955 8.487 1.00 0.00 ATOM 607 OE1 GLU 79 23.182 27.374 9.017 1.00 0.00 ATOM 608 OE2 GLU 79 25.369 27.360 8.807 1.00 0.00 ATOM 609 O GLU 79 24.242 24.126 4.420 1.00 0.00 ATOM 610 C GLU 79 23.230 24.739 4.780 1.00 0.00 ATOM 611 N GLU 80 22.704 25.705 4.037 1.00 0.00 ATOM 612 CA GLU 80 23.340 26.092 2.803 1.00 0.00 ATOM 613 CB GLU 80 22.457 27.073 2.029 1.00 0.00 ATOM 614 CG GLU 80 21.111 26.500 1.614 1.00 0.00 ATOM 615 CD GLU 80 20.210 27.537 0.973 1.00 0.00 ATOM 616 OE1 GLU 80 20.629 28.710 0.876 1.00 0.00 ATOM 617 OE2 GLU 80 19.085 27.177 0.568 1.00 0.00 ATOM 618 O GLU 80 24.872 27.494 4.056 1.00 0.00 ATOM 619 C GLU 80 24.681 26.769 3.054 1.00 0.00 TER END