PFRMAT TS TARGET T0211 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 Model 4 is a model created from an alignment to our best-scoring METHOD template (1gqpA) with sidechains optimized by SCWRL. METHOD METHOD The alignment was created with a 3-track HMM. METHOD T0211-1gqpA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 REMARK 6 REMARK 6 T0211 model 4 Sat Jul 17 18:46:26 2004 MODEL 4 PARENT 1gqp_A ATOM 2 N GLY 12 7.453 -8.079 -35.997 1.00 0.00 ATOM 3 CA GLY 12 7.768 -8.687 -37.277 1.00 0.00 ATOM 4 O GLY 12 9.092 -8.451 -39.255 1.00 0.00 ATOM 5 C GLY 12 8.870 -8.058 -38.105 1.00 0.00 ATOM 6 N SER 13 9.570 -7.092 -37.526 1.00 0.00 ATOM 7 CA SER 13 10.681 -6.453 -38.218 1.00 0.00 ATOM 8 CB SER 13 10.814 -4.993 -37.785 1.00 0.00 ATOM 9 OG SER 13 11.173 -4.897 -36.416 1.00 0.00 ATOM 10 O SER 13 12.973 -7.081 -38.632 1.00 0.00 ATOM 11 C SER 13 11.992 -7.184 -37.895 1.00 0.00 ATOM 12 N GLU 14 12.011 -7.926 -36.792 1.00 0.00 ATOM 13 CA GLU 14 13.218 -8.624 -36.390 1.00 0.00 ATOM 14 CB GLU 14 13.285 -8.745 -34.867 1.00 0.00 ATOM 15 CG GLU 14 12.356 -9.799 -34.286 1.00 0.00 ATOM 16 CD GLU 14 10.907 -9.352 -34.267 1.00 0.00 ATOM 17 OE1 GLU 14 10.635 -8.202 -34.672 1.00 0.00 ATOM 18 OE2 GLU 14 10.044 -10.150 -33.846 1.00 0.00 ATOM 19 O GLU 14 12.313 -10.619 -37.391 1.00 0.00 ATOM 20 C GLU 14 13.308 -10.024 -36.951 1.00 0.00 ATOM 21 N VAL 15 14.525 -10.547 -36.949 1.00 0.00 ATOM 22 CA VAL 15 14.751 -11.905 -37.406 1.00 0.00 ATOM 23 CB VAL 15 16.098 -12.035 -38.143 1.00 0.00 ATOM 24 CG1 VAL 15 16.336 -13.477 -38.563 1.00 0.00 ATOM 25 CG2 VAL 15 16.110 -11.163 -39.389 1.00 0.00 ATOM 26 O VAL 15 15.486 -12.455 -35.205 1.00 0.00 ATOM 27 C VAL 15 14.740 -12.748 -36.126 1.00 0.00 ATOM 28 N ILE 16 13.903 -13.778 -36.069 1.00 0.00 ATOM 29 CA ILE 16 13.806 -14.632 -34.878 1.00 0.00 ATOM 30 CB ILE 16 12.339 -14.892 -34.487 1.00 0.00 ATOM 31 CG1 ILE 16 11.630 -13.575 -34.167 1.00 0.00 ATOM 32 CG2 ILE 16 12.265 -15.789 -33.261 1.00 0.00 ATOM 33 CD1 ILE 16 10.136 -13.714 -33.982 1.00 0.00 ATOM 34 O ILE 16 14.103 -16.710 -36.015 1.00 0.00 ATOM 35 C ILE 16 14.460 -15.994 -35.091 1.00 0.00 ATOM 36 N LEU 17 15.407 -16.348 -34.229 1.00 0.00 ATOM 37 CA LEU 17 16.103 -17.620 -34.359 1.00 0.00 ATOM 38 CB LEU 17 17.554 -17.397 -34.792 1.00 0.00 ATOM 39 CG LEU 17 18.415 -18.651 -34.951 1.00 0.00 ATOM 40 CD1 LEU 17 17.857 -19.552 -36.043 1.00 0.00 ATOM 41 CD2 LEU 17 19.842 -18.280 -35.324 1.00 0.00 ATOM 42 O LEU 17 16.816 -18.030 -32.105 1.00 0.00 ATOM 43 C LEU 17 16.144 -18.417 -33.061 1.00 0.00 ATOM 44 N ALA 18 15.401 -19.532 -32.999 1.00 0.00 ATOM 45 CA ALA 18 15.348 -20.393 -31.819 1.00 0.00 ATOM 46 CB ALA 18 14.040 -21.170 -31.786 1.00 0.00 ATOM 47 O ALA 18 16.987 -21.757 -32.919 1.00 0.00 ATOM 48 C ALA 18 16.517 -21.397 -31.842 1.00 0.00 ATOM 49 N THR 19 16.978 -21.842 -30.665 1.00 0.00 ATOM 50 CA THR 19 18.073 -22.820 -30.601 1.00 0.00 ATOM 51 CB THR 19 18.495 -23.101 -29.147 1.00 0.00 ATOM 52 CG2 THR 19 19.601 -24.145 -29.105 1.00 0.00 ATOM 53 OG1 THR 19 18.974 -21.893 -28.543 1.00 0.00 ATOM 54 O THR 19 18.370 -24.854 -31.870 1.00 0.00 ATOM 55 C THR 19 17.597 -24.137 -31.245 1.00 0.00 ATOM 56 N SER 20 16.304 -24.426 -31.105 1.00 0.00 ATOM 57 CA SER 20 15.692 -25.615 -31.691 1.00 0.00 ATOM 58 CB SER 20 16.001 -26.850 -30.842 1.00 0.00 ATOM 59 OG SER 20 15.370 -26.769 -29.575 1.00 0.00 ATOM 60 O SER 20 13.645 -24.429 -31.248 1.00 0.00 ATOM 61 C SER 20 14.175 -25.416 -31.755 1.00 0.00 ATOM 62 N SER 21 13.485 -26.365 -32.373 1.00 0.00 ATOM 63 CA SER 21 12.035 -26.344 -32.440 1.00 0.00 ATOM 64 CB SER 21 11.557 -25.206 -33.343 1.00 0.00 ATOM 65 OG SER 21 11.915 -25.442 -34.694 1.00 0.00 ATOM 66 O SER 21 12.265 -28.302 -33.775 1.00 0.00 ATOM 67 C SER 21 11.569 -27.657 -32.997 1.00 0.00 ATOM 68 N ASP 22 10.397 -28.076 -32.561 1.00 0.00 ATOM 69 CA ASP 22 9.809 -29.304 -33.045 1.00 0.00 ATOM 70 CB ASP 22 8.801 -29.850 -32.033 1.00 0.00 ATOM 71 CG ASP 22 8.206 -31.177 -32.461 1.00 0.00 ATOM 72 OD1 ASP 22 8.943 -32.185 -32.465 1.00 0.00 ATOM 73 OD2 ASP 22 7.002 -31.209 -32.793 1.00 0.00 ATOM 74 O ASP 22 8.511 -27.875 -34.483 1.00 0.00 ATOM 75 C ASP 22 9.115 -28.954 -34.361 1.00 0.00 ATOM 76 N GLU 23 9.197 -29.857 -35.337 1.00 0.00 ATOM 77 CA GLU 23 8.553 -29.622 -36.625 1.00 0.00 ATOM 78 CB GLU 23 8.796 -30.802 -37.569 1.00 0.00 ATOM 79 CG GLU 23 8.238 -30.602 -38.969 1.00 0.00 ATOM 80 CD GLU 23 8.544 -31.767 -39.888 1.00 0.00 ATOM 81 OE1 GLU 23 9.218 -32.718 -39.440 1.00 0.00 ATOM 82 OE2 GLU 23 8.110 -31.730 -41.059 1.00 0.00 ATOM 83 O GLU 23 6.451 -30.284 -35.753 1.00 0.00 ATOM 84 C GLU 23 7.085 -29.459 -36.409 1.00 0.00 ATOM 85 N LYS 24 6.520 -28.420 -36.995 1.00 0.00 ATOM 86 CA LYS 24 5.098 -28.192 -36.801 1.00 0.00 ATOM 87 CB LYS 24 4.396 -29.494 -36.411 1.00 0.00 ATOM 88 CG LYS 24 4.389 -30.547 -37.509 1.00 0.00 ATOM 89 CD LYS 24 3.679 -31.812 -37.055 1.00 0.00 ATOM 90 CE LYS 24 3.664 -32.861 -38.155 1.00 0.00 ATOM 91 NZ LYS 24 2.968 -34.107 -37.726 1.00 0.00 ATOM 92 O LYS 24 3.715 -26.710 -35.564 1.00 0.00 ATOM 93 C LYS 24 4.843 -27.175 -35.697 1.00 0.00 ATOM 94 N HIS 25 5.872 -26.839 -34.908 1.00 0.00 ATOM 95 CA HIS 25 5.747 -25.831 -33.814 1.00 0.00 ATOM 96 CB HIS 25 5.774 -26.518 -32.447 1.00 0.00 ATOM 97 CG HIS 25 4.680 -27.522 -32.253 1.00 0.00 ATOM 98 CD2 HIS 25 4.585 -28.975 -32.300 1.00 0.00 ATOM 99 ND1 HIS 25 3.385 -27.164 -31.953 1.00 0.00 ATOM 100 CE1 HIS 25 2.638 -28.277 -31.840 1.00 0.00 ATOM 101 NE2 HIS 25 3.351 -29.366 -32.048 1.00 0.00 ATOM 102 O HIS 25 7.756 -24.798 -33.031 1.00 0.00 ATOM 103 C HIS 25 6.911 -24.875 -33.927 1.00 0.00 ATOM 104 N PRO 26 6.970 -24.128 -35.034 1.00 0.00 ATOM 105 CA PRO 26 8.035 -23.165 -35.302 1.00 0.00 ATOM 106 CB PRO 26 7.862 -22.823 -36.783 1.00 0.00 ATOM 107 CG PRO 26 6.407 -23.022 -37.044 1.00 0.00 ATOM 108 CD PRO 26 5.985 -24.186 -36.194 1.00 0.00 ATOM 109 O PRO 26 6.953 -21.656 -33.747 1.00 0.00 ATOM 110 C PRO 26 7.951 -21.902 -34.458 1.00 0.00 ATOM 111 N PRO 27 9.011 -21.110 -34.550 1.00 0.00 ATOM 112 CA PRO 27 9.126 -19.882 -33.801 1.00 0.00 ATOM 113 CB PRO 27 10.494 -19.327 -34.208 1.00 0.00 ATOM 114 CG PRO 27 10.785 -19.977 -35.519 1.00 0.00 ATOM 115 CD PRO 27 10.175 -21.348 -35.450 1.00 0.00 ATOM 116 O PRO 27 7.458 -18.203 -33.373 1.00 0.00 ATOM 117 C PRO 27 7.981 -18.956 -34.200 1.00 0.00 ATOM 118 N GLU 28 7.552 -19.058 -35.456 1.00 0.00 ATOM 119 CA GLU 28 6.454 -18.231 -35.958 1.00 0.00 ATOM 120 CB GLU 28 6.101 -18.623 -37.394 1.00 0.00 ATOM 121 CG GLU 28 7.148 -18.226 -38.420 1.00 0.00 ATOM 122 CD GLU 28 6.809 -18.712 -39.816 1.00 0.00 ATOM 123 OE1 GLU 28 5.791 -19.419 -39.968 1.00 0.00 ATOM 124 OE2 GLU 28 7.563 -18.387 -40.758 1.00 0.00 ATOM 125 O GLU 28 4.369 -17.465 -35.075 1.00 0.00 ATOM 126 C GLU 28 5.186 -18.374 -35.122 1.00 0.00 ATOM 127 N ASN 29 5.006 -19.518 -34.478 1.00 0.00 ATOM 128 CA ASN 29 3.815 -19.721 -33.661 1.00 0.00 ATOM 129 CB ASN 29 3.708 -21.183 -33.222 1.00 0.00 ATOM 130 CG ASN 29 3.320 -22.106 -34.360 1.00 0.00 ATOM 131 ND2 ASN 29 3.575 -23.398 -34.188 1.00 0.00 ATOM 132 OD1 ASN 29 2.797 -21.660 -35.382 1.00 0.00 ATOM 133 O ASN 29 2.775 -18.755 -31.682 1.00 0.00 ATOM 134 C ASN 29 3.804 -18.857 -32.369 1.00 0.00 ATOM 135 N ILE 30 4.940 -18.236 -32.039 1.00 0.00 ATOM 136 CA ILE 30 5.027 -17.359 -30.854 1.00 0.00 ATOM 137 CB ILE 30 6.401 -17.470 -30.169 1.00 0.00 ATOM 138 CG1 ILE 30 7.507 -16.986 -31.108 1.00 0.00 ATOM 139 CG2 ILE 30 6.690 -18.915 -29.787 1.00 0.00 ATOM 140 CD1 ILE 30 8.862 -16.864 -30.446 1.00 0.00 ATOM 141 O ILE 30 4.802 -15.010 -30.465 1.00 0.00 ATOM 142 C ILE 30 4.813 -15.914 -31.291 1.00 0.00 ATOM 143 N ILE 31 4.650 -15.700 -32.591 1.00 0.00 ATOM 144 CA ILE 31 4.481 -14.349 -33.102 1.00 0.00 ATOM 145 CB ILE 31 5.671 -13.923 -33.981 1.00 0.00 ATOM 146 CG1 ILE 31 5.800 -14.850 -35.191 1.00 0.00 ATOM 147 CG2 ILE 31 6.968 -13.984 -33.187 1.00 0.00 ATOM 148 CD1 ILE 31 6.773 -14.355 -36.238 1.00 0.00 ATOM 149 O ILE 31 3.064 -13.174 -34.626 1.00 0.00 ATOM 150 C ILE 31 3.222 -14.195 -33.962 1.00 0.00 ATOM 151 N ASP 32 2.346 -15.198 -33.946 1.00 0.00 ATOM 152 CA ASP 32 1.148 -15.191 -34.774 1.00 0.00 ATOM 153 CB ASP 32 0.780 -16.615 -35.196 1.00 0.00 ATOM 154 CG ASP 32 1.754 -17.196 -36.202 1.00 0.00 ATOM 155 OD1 ASP 32 2.515 -16.414 -36.810 1.00 0.00 ATOM 156 OD2 ASP 32 1.756 -18.431 -36.384 1.00 0.00 ATOM 157 O ASP 32 -1.168 -14.649 -34.839 1.00 0.00 ATOM 158 C ASP 32 -0.138 -14.630 -34.174 1.00 0.00 ATOM 159 N GLY 33 -0.111 -14.137 -32.943 1.00 0.00 ATOM 160 CA GLY 33 -1.344 -13.603 -32.346 1.00 0.00 ATOM 161 O GLY 33 -3.627 -14.380 -32.366 1.00 0.00 ATOM 162 C GLY 33 -2.440 -14.670 -32.247 1.00 0.00 ATOM 163 N ASN 34 -2.033 -15.905 -31.998 1.00 0.00 ATOM 164 CA ASN 34 -2.967 -17.004 -31.898 1.00 0.00 ATOM 165 CB ASN 34 -2.809 -17.953 -33.088 1.00 0.00 ATOM 166 CG ASN 34 -3.808 -19.092 -33.064 1.00 0.00 ATOM 167 ND2 ASN 34 -4.698 -19.118 -34.049 1.00 0.00 ATOM 168 OD1 ASN 34 -3.780 -19.936 -32.168 1.00 0.00 ATOM 169 O ASN 34 -1.497 -18.129 -30.353 1.00 0.00 ATOM 170 C ASN 34 -2.643 -17.727 -30.588 1.00 0.00 ATOM 171 N PRO 35 -3.647 -17.873 -29.726 1.00 0.00 ATOM 172 CA PRO 35 -3.451 -18.509 -28.425 1.00 0.00 ATOM 173 CB PRO 35 -4.754 -18.225 -27.675 1.00 0.00 ATOM 174 CG PRO 35 -5.746 -17.928 -28.749 1.00 0.00 ATOM 175 CD PRO 35 -4.972 -17.285 -29.864 1.00 0.00 ATOM 176 O PRO 35 -2.438 -20.577 -27.693 1.00 0.00 ATOM 177 C PRO 35 -3.202 -20.026 -28.493 1.00 0.00 ATOM 178 N GLU 36 -3.863 -20.690 -29.434 1.00 0.00 ATOM 179 CA GLU 36 -3.745 -22.134 -29.574 1.00 0.00 ATOM 180 CB GLU 36 -4.867 -22.681 -30.460 1.00 0.00 ATOM 181 CG GLU 36 -6.255 -22.559 -29.852 1.00 0.00 ATOM 182 CD GLU 36 -7.344 -23.045 -30.785 1.00 0.00 ATOM 183 OE1 GLU 36 -7.017 -23.455 -31.918 1.00 0.00 ATOM 184 OE2 GLU 36 -8.527 -23.016 -30.384 1.00 0.00 ATOM 185 O GLU 36 -2.148 -23.792 -30.227 1.00 0.00 ATOM 186 C GLU 36 -2.435 -22.602 -30.200 1.00 0.00 ATOM 187 N THR 37 -1.646 -21.683 -30.718 1.00 0.00 ATOM 188 CA THR 37 -0.395 -22.082 -31.342 1.00 0.00 ATOM 189 CB THR 37 -0.239 -21.462 -32.743 1.00 0.00 ATOM 190 CG2 THR 37 -1.393 -21.879 -33.640 1.00 0.00 ATOM 191 OG1 THR 37 -0.226 -20.034 -32.638 1.00 0.00 ATOM 192 O THR 37 0.815 -20.600 -29.887 1.00 0.00 ATOM 193 C THR 37 0.819 -21.657 -30.536 1.00 0.00 ATOM 194 N PHE 38 1.870 -22.465 -30.602 1.00 0.00 ATOM 195 CA PHE 38 3.066 -22.129 -29.879 1.00 0.00 ATOM 196 CB PHE 38 3.013 -22.700 -28.462 1.00 0.00 ATOM 197 CG PHE 38 2.967 -24.201 -28.415 1.00 0.00 ATOM 198 CD1 PHE 38 4.133 -24.942 -28.319 1.00 0.00 ATOM 199 CD2 PHE 38 1.758 -24.874 -28.469 1.00 0.00 ATOM 200 CE1 PHE 38 4.091 -26.322 -28.276 1.00 0.00 ATOM 201 CE2 PHE 38 1.716 -26.254 -28.426 1.00 0.00 ATOM 202 CZ PHE 38 2.876 -26.978 -28.330 1.00 0.00 ATOM 203 O PHE 38 4.440 -23.644 -31.145 1.00 0.00 ATOM 204 C PHE 38 4.382 -22.628 -30.460 1.00 0.00 ATOM 205 N TRP 39 5.436 -21.864 -30.215 1.00 0.00 ATOM 206 CA TRP 39 6.744 -22.329 -30.590 1.00 0.00 ATOM 207 CB TRP 39 7.750 -21.177 -30.566 1.00 0.00 ATOM 208 CG TRP 39 9.148 -21.593 -30.910 1.00 0.00 ATOM 209 CD1 TRP 39 9.686 -21.698 -32.160 1.00 0.00 ATOM 210 CD2 TRP 39 10.185 -21.959 -29.993 1.00 0.00 ATOM 211 CE2 TRP 39 11.325 -22.276 -30.757 1.00 0.00 ATOM 212 CE3 TRP 39 10.261 -22.052 -28.599 1.00 0.00 ATOM 213 NE1 TRP 39 10.996 -22.109 -32.078 1.00 0.00 ATOM 214 CZ2 TRP 39 12.527 -22.677 -30.175 1.00 0.00 ATOM 215 CZ3 TRP 39 11.454 -22.449 -28.026 1.00 0.00 ATOM 216 CH2 TRP 39 12.572 -22.758 -28.809 1.00 0.00 ATOM 217 O TRP 39 6.630 -23.157 -28.351 1.00 0.00 ATOM 218 C TRP 39 6.999 -23.371 -29.511 1.00 0.00 ATOM 219 N THR 40 7.578 -24.512 -29.887 1.00 0.00 ATOM 220 CA THR 40 7.945 -25.536 -28.910 1.00 0.00 ATOM 221 CB THR 40 7.044 -26.779 -29.028 1.00 0.00 ATOM 222 CG2 THR 40 7.428 -27.817 -27.984 1.00 0.00 ATOM 223 OG1 THR 40 5.675 -26.401 -28.825 1.00 0.00 ATOM 224 O THR 40 9.732 -26.297 -30.319 1.00 0.00 ATOM 225 C THR 40 9.390 -25.926 -29.186 1.00 0.00 ATOM 226 N THR 41 10.256 -25.824 -28.177 1.00 0.00 ATOM 227 CA THR 41 11.666 -26.191 -28.378 1.00 0.00 ATOM 228 CB THR 41 12.536 -25.777 -27.176 1.00 0.00 ATOM 229 CG2 THR 41 12.423 -24.280 -26.928 1.00 0.00 ATOM 230 OG1 THR 41 12.098 -26.475 -26.004 1.00 0.00 ATOM 231 O THR 41 10.835 -28.456 -28.371 1.00 0.00 ATOM 232 C THR 41 11.802 -27.712 -28.561 1.00 0.00 ATOM 233 N THR 42 12.997 -28.169 -28.930 1.00 0.00 ATOM 234 CA THR 42 13.247 -29.608 -29.101 1.00 0.00 ATOM 235 CB THR 42 12.839 -30.089 -30.505 1.00 0.00 ATOM 236 CG2 THR 42 12.944 -31.603 -30.601 1.00 0.00 ATOM 237 OG1 THR 42 11.484 -29.699 -30.772 1.00 0.00 ATOM 238 O THR 42 15.435 -30.153 -29.874 1.00 0.00 ATOM 239 C THR 42 14.736 -29.890 -28.905 1.00 0.00 ATOM 240 N GLY 43 15.228 -29.813 -27.671 1.00 0.00 ATOM 241 CA GLY 43 16.641 -30.047 -27.446 1.00 0.00 ATOM 242 O GLY 43 16.038 -29.897 -25.152 1.00 0.00 ATOM 243 C GLY 43 16.955 -29.997 -25.968 1.00 0.00 ATOM 244 N MET 44 18.239 -30.078 -25.617 1.00 0.00 ATOM 245 CA MET 44 18.622 -30.021 -24.208 1.00 0.00 ATOM 246 CB MET 44 20.071 -30.478 -24.028 1.00 0.00 ATOM 247 CG MET 44 20.298 -31.952 -24.325 1.00 0.00 ATOM 248 SD MET 44 22.023 -32.443 -24.133 1.00 0.00 ATOM 249 CE MET 44 22.169 -32.480 -22.349 1.00 0.00 ATOM 250 O MET 44 18.364 -27.657 -24.499 1.00 0.00 ATOM 251 C MET 44 18.491 -28.595 -23.702 1.00 0.00 ATOM 252 N PHE 45 18.491 -28.417 -22.386 1.00 0.00 ATOM 253 CA PHE 45 18.393 -27.082 -21.820 1.00 0.00 ATOM 254 CB PHE 45 17.754 -27.134 -20.432 1.00 0.00 ATOM 255 CG PHE 45 16.306 -27.531 -20.445 1.00 0.00 ATOM 256 CD1 PHE 45 15.588 -27.543 -21.629 1.00 0.00 ATOM 257 CD2 PHE 45 15.662 -27.894 -19.276 1.00 0.00 ATOM 258 CE1 PHE 45 14.255 -27.909 -21.640 1.00 0.00 ATOM 259 CE2 PHE 45 14.329 -28.261 -19.288 1.00 0.00 ATOM 260 CZ PHE 45 13.626 -28.268 -20.464 1.00 0.00 ATOM 261 O PHE 45 20.776 -27.287 -21.662 1.00 0.00 ATOM 262 C PHE 45 19.824 -26.529 -21.727 1.00 0.00 ATOM 263 N PRO 46 19.994 -25.200 -21.742 1.00 0.00 ATOM 264 CA PRO 46 18.929 -24.195 -21.809 1.00 0.00 ATOM 265 CB PRO 46 19.586 -22.922 -21.274 1.00 0.00 ATOM 266 CG PRO 46 21.025 -23.064 -21.637 1.00 0.00 ATOM 267 CD PRO 46 21.347 -24.526 -21.500 1.00 0.00 ATOM 268 O PRO 46 19.182 -24.248 -24.156 1.00 0.00 ATOM 269 C PRO 46 18.433 -24.004 -23.229 1.00 0.00 ATOM 270 N GLN 47 17.174 -23.594 -23.409 1.00 0.00 ATOM 271 CA GLN 47 16.680 -23.347 -24.761 1.00 0.00 ATOM 272 CB GLN 47 15.174 -23.607 -24.837 1.00 0.00 ATOM 273 CG GLN 47 14.770 -25.027 -24.473 1.00 0.00 ATOM 274 CD GLN 47 15.367 -26.060 -25.408 1.00 0.00 ATOM 275 OE1 GLN 47 15.233 -25.960 -26.627 1.00 0.00 ATOM 276 NE2 GLN 47 16.033 -27.058 -24.838 1.00 0.00 ATOM 277 O GLN 47 17.253 -21.147 -24.037 1.00 0.00 ATOM 278 C GLN 47 17.013 -21.898 -24.996 1.00 0.00 ATOM 279 N GLU 48 17.053 -21.491 -26.259 1.00 0.00 ATOM 280 CA GLU 48 17.437 -20.130 -26.567 1.00 0.00 ATOM 281 CB GLU 48 18.903 -20.073 -27.003 1.00 0.00 ATOM 282 CG GLU 48 19.888 -20.498 -25.926 1.00 0.00 ATOM 283 CD GLU 48 21.329 -20.411 -26.387 1.00 0.00 ATOM 284 OE1 GLU 48 21.556 -20.061 -27.564 1.00 0.00 ATOM 285 OE2 GLU 48 22.232 -20.694 -25.571 1.00 0.00 ATOM 286 O GLU 48 16.192 -20.197 -28.608 1.00 0.00 ATOM 287 C GLU 48 16.622 -19.517 -27.683 1.00 0.00 ATOM 288 N PHE 49 16.407 -18.217 -27.574 1.00 0.00 ATOM 289 CA PHE 49 15.677 -17.492 -28.589 1.00 0.00 ATOM 290 CB PHE 49 14.270 -17.150 -28.096 1.00 0.00 ATOM 291 CG PHE 49 13.421 -16.455 -29.121 1.00 0.00 ATOM 292 CD1 PHE 49 12.868 -17.158 -30.177 1.00 0.00 ATOM 293 CD2 PHE 49 13.174 -15.095 -29.030 1.00 0.00 ATOM 294 CE1 PHE 49 12.087 -16.519 -31.120 1.00 0.00 ATOM 295 CE2 PHE 49 12.392 -14.455 -29.973 1.00 0.00 ATOM 296 CZ PHE 49 11.850 -15.161 -31.014 1.00 0.00 ATOM 297 O PHE 49 16.664 -15.392 -27.989 1.00 0.00 ATOM 298 C PHE 49 16.466 -16.208 -28.876 1.00 0.00 ATOM 299 N ILE 50 16.935 -16.056 -30.108 1.00 0.00 ATOM 300 CA ILE 50 17.701 -14.879 -30.512 1.00 0.00 ATOM 301 CB ILE 50 18.962 -15.271 -31.304 1.00 0.00 ATOM 302 CG1 ILE 50 19.887 -16.132 -30.441 1.00 0.00 ATOM 303 CG2 ILE 50 19.726 -14.029 -31.739 1.00 0.00 ATOM 304 CD1 ILE 50 21.035 -16.751 -31.207 1.00 0.00 ATOM 305 O ILE 50 16.190 -14.427 -32.360 1.00 0.00 ATOM 306 C ILE 50 16.844 -13.969 -31.402 1.00 0.00 ATOM 307 N ILE 51 16.867 -12.680 -31.081 1.00 0.00 ATOM 308 CA ILE 51 16.092 -11.680 -31.804 1.00 0.00 ATOM 309 CB ILE 51 15.052 -11.003 -30.892 1.00 0.00 ATOM 310 CG1 ILE 51 14.072 -12.040 -30.339 1.00 0.00 ATOM 311 CG2 ILE 51 14.262 -9.959 -31.666 1.00 0.00 ATOM 312 CD1 ILE 51 13.140 -11.496 -29.279 1.00 0.00 ATOM 313 O ILE 51 17.743 -9.948 -31.564 1.00 0.00 ATOM 314 C ILE 51 17.045 -10.609 -32.341 1.00 0.00 ATOM 315 N CYS 52 17.052 -10.421 -33.661 1.00 0.00 ATOM 316 CA CYS 52 17.965 -9.451 -34.278 1.00 0.00 ATOM 317 CB CYS 52 19.050 -10.172 -35.081 1.00 0.00 ATOM 318 SG CYS 52 20.256 -9.074 -35.860 1.00 0.00 ATOM 319 O CYS 52 16.603 -8.909 -36.154 1.00 0.00 ATOM 320 C CYS 52 17.273 -8.493 -35.230 1.00 0.00 ATOM 321 N PHE 53 17.428 -7.204 -34.978 1.00 0.00 ATOM 322 CA PHE 53 16.832 -6.206 -35.845 1.00 0.00 ATOM 323 CB PHE 53 16.329 -5.016 -35.024 1.00 0.00 ATOM 324 CG PHE 53 15.183 -5.350 -34.113 1.00 0.00 ATOM 325 CD1 PHE 53 15.405 -5.628 -32.775 1.00 0.00 ATOM 326 CD2 PHE 53 13.885 -5.385 -34.591 1.00 0.00 ATOM 327 CE1 PHE 53 14.351 -5.937 -31.935 1.00 0.00 ATOM 328 CE2 PHE 53 12.831 -5.693 -33.752 1.00 0.00 ATOM 329 CZ PHE 53 13.061 -5.967 -32.428 1.00 0.00 ATOM 330 O PHE 53 19.101 -5.881 -36.572 1.00 0.00 ATOM 331 C PHE 53 17.895 -5.735 -36.831 1.00 0.00 ATOM 332 N HIS 54 17.446 -5.159 -37.949 1.00 0.00 ATOM 333 CA HIS 54 18.356 -4.645 -38.976 1.00 0.00 ATOM 334 CB HIS 54 17.580 -4.281 -40.245 1.00 0.00 ATOM 335 CG HIS 54 16.661 -3.113 -40.076 1.00 0.00 ATOM 336 CD2 HIS 54 16.716 -1.693 -40.394 1.00 0.00 ATOM 337 ND1 HIS 54 15.415 -3.223 -39.498 1.00 0.00 ATOM 338 CE1 HIS 54 14.828 -2.012 -39.487 1.00 0.00 ATOM 339 NE2 HIS 54 15.603 -1.089 -40.022 1.00 0.00 ATOM 340 O HIS 54 20.053 -2.957 -39.019 1.00 0.00 ATOM 341 C HIS 54 19.061 -3.398 -38.449 1.00 0.00 ATOM 342 N LYS 55 18.545 -2.835 -37.359 1.00 0.00 ATOM 343 CA LYS 55 19.154 -1.651 -36.764 1.00 0.00 ATOM 344 CB LYS 55 18.691 -0.387 -37.491 1.00 0.00 ATOM 345 CG LYS 55 17.207 -0.095 -37.346 1.00 0.00 ATOM 346 CD LYS 55 16.822 1.181 -38.074 1.00 0.00 ATOM 347 CE LYS 55 15.333 1.463 -37.943 1.00 0.00 ATOM 348 NZ LYS 55 14.950 2.741 -38.605 1.00 0.00 ATOM 349 O LYS 55 17.938 -2.211 -34.757 1.00 0.00 ATOM 350 C LYS 55 18.791 -1.489 -35.285 1.00 0.00 ATOM 351 N HIS 56 19.452 -0.540 -34.629 1.00 0.00 ATOM 352 CA HIS 56 19.242 -0.260 -33.216 1.00 0.00 ATOM 353 CB HIS 56 20.228 0.804 -32.728 1.00 0.00 ATOM 354 CG HIS 56 21.647 0.333 -32.672 1.00 0.00 ATOM 355 CD2 HIS 56 22.514 -0.235 -31.649 1.00 0.00 ATOM 356 ND1 HIS 56 22.488 0.373 -33.764 1.00 0.00 ATOM 357 CE1 HIS 56 23.691 -0.115 -33.408 1.00 0.00 ATOM 358 NE2 HIS 56 23.714 -0.480 -32.141 1.00 0.00 ATOM 359 O HIS 56 17.427 1.307 -33.465 1.00 0.00 ATOM 360 C HIS 56 17.821 0.254 -32.968 1.00 0.00 ATOM 361 N VAL 57 17.051 -0.519 -32.205 1.00 0.00 ATOM 362 CA VAL 57 15.667 -0.187 -31.882 1.00 0.00 ATOM 363 CB VAL 57 14.753 -1.424 -31.975 1.00 0.00 ATOM 364 CG1 VAL 57 14.759 -1.984 -33.389 1.00 0.00 ATOM 365 CG2 VAL 57 15.231 -2.512 -31.025 1.00 0.00 ATOM 366 O VAL 57 16.360 0.176 -29.609 1.00 0.00 ATOM 367 C VAL 57 15.509 0.367 -30.476 1.00 0.00 ATOM 368 N ARG 58 14.397 1.048 -30.249 1.00 0.00 ATOM 369 CA ARG 58 14.121 1.608 -28.936 1.00 0.00 ATOM 370 CB ARG 58 13.813 3.103 -29.044 1.00 0.00 ATOM 371 CG ARG 58 14.991 3.948 -29.498 1.00 0.00 ATOM 372 CD ARG 58 14.593 5.405 -29.666 1.00 0.00 ATOM 373 NE ARG 58 15.750 6.264 -29.907 1.00 0.00 ATOM 374 CZ ARG 58 16.357 6.388 -31.082 1.00 0.00 ATOM 375 NH1 ARG 58 17.403 7.193 -31.206 1.00 0.00 ATOM 376 NH2 ARG 58 15.917 5.707 -32.131 1.00 0.00 ATOM 377 O ARG 58 11.771 1.332 -28.424 1.00 0.00 ATOM 378 C ARG 58 12.911 0.863 -28.368 1.00 0.00 ATOM 379 N ILE 59 13.190 -0.321 -27.837 1.00 0.00 ATOM 380 CA ILE 59 12.179 -1.180 -27.271 1.00 0.00 ATOM 381 CB ILE 59 12.722 -2.597 -27.012 1.00 0.00 ATOM 382 CG1 ILE 59 13.237 -3.217 -28.312 1.00 0.00 ATOM 383 CG2 ILE 59 11.628 -3.493 -26.451 1.00 0.00 ATOM 384 CD1 ILE 59 12.177 -3.364 -29.380 1.00 0.00 ATOM 385 O ILE 59 12.471 -0.530 -25.005 1.00 0.00 ATOM 386 C ILE 59 11.706 -0.606 -25.960 1.00 0.00 ATOM 387 N GLU 60 10.446 -0.181 -25.921 1.00 0.00 ATOM 388 CA GLU 60 9.902 0.382 -24.703 1.00 0.00 ATOM 389 CB GLU 60 8.952 1.537 -25.026 1.00 0.00 ATOM 390 CG GLU 60 7.622 1.101 -25.620 1.00 0.00 ATOM 391 CD GLU 60 6.747 2.273 -26.016 1.00 0.00 ATOM 392 OE1 GLU 60 7.169 3.429 -25.798 1.00 0.00 ATOM 393 OE2 GLU 60 5.639 2.037 -26.542 1.00 0.00 ATOM 394 O GLU 60 8.962 -0.636 -22.730 1.00 0.00 ATOM 395 C GLU 60 9.136 -0.703 -23.954 1.00 0.00 ATOM 396 N ARG 61 8.685 -1.712 -24.695 1.00 0.00 ATOM 397 CA ARG 61 7.956 -2.818 -24.080 1.00 0.00 ATOM 398 CB ARG 61 6.449 -2.551 -24.115 1.00 0.00 ATOM 399 CG ARG 61 5.614 -3.618 -23.425 1.00 0.00 ATOM 400 CD ARG 61 4.156 -3.202 -23.329 1.00 0.00 ATOM 401 NE ARG 61 3.514 -3.149 -24.641 1.00 0.00 ATOM 402 CZ ARG 61 2.321 -2.611 -24.868 1.00 0.00 ATOM 403 NH1 ARG 61 1.817 -2.609 -26.095 1.00 0.00 ATOM 404 NH2 ARG 61 1.633 -2.077 -23.869 1.00 0.00 ATOM 405 O ARG 61 8.130 -4.274 -25.972 1.00 0.00 ATOM 406 C ARG 61 8.169 -4.169 -24.753 1.00 0.00 ATOM 407 N LEU 62 8.410 -5.193 -23.946 1.00 0.00 ATOM 408 CA LEU 62 8.517 -6.549 -24.459 1.00 0.00 ATOM 409 CB LEU 62 9.902 -7.126 -24.161 1.00 0.00 ATOM 410 CG LEU 62 11.093 -6.370 -24.755 1.00 0.00 ATOM 411 CD1 LEU 62 12.405 -6.967 -24.269 1.00 0.00 ATOM 412 CD2 LEU 62 11.073 -6.438 -26.273 1.00 0.00 ATOM 413 O LEU 62 7.480 -7.472 -22.505 1.00 0.00 ATOM 414 C LEU 62 7.423 -7.296 -23.722 1.00 0.00 ATOM 415 N VAL 63 6.423 -7.737 -24.468 1.00 0.00 ATOM 416 CA VAL 63 5.308 -8.431 -23.878 1.00 0.00 ATOM 417 CB VAL 63 3.970 -7.966 -24.482 1.00 0.00 ATOM 418 CG1 VAL 63 2.813 -8.753 -23.884 1.00 0.00 ATOM 419 CG2 VAL 63 3.743 -6.489 -24.200 1.00 0.00 ATOM 420 O VAL 63 5.702 -10.386 -25.227 1.00 0.00 ATOM 421 C VAL 63 5.429 -9.930 -24.112 1.00 0.00 ATOM 422 N ILE 64 5.221 -10.698 -23.051 1.00 0.00 ATOM 423 CA ILE 64 5.326 -12.146 -23.156 1.00 0.00 ATOM 424 CB ILE 64 6.598 -12.671 -22.465 1.00 0.00 ATOM 425 CG1 ILE 64 6.688 -12.136 -21.034 1.00 0.00 ATOM 426 CG2 ILE 64 7.839 -12.227 -23.225 1.00 0.00 ATOM 427 CD1 ILE 64 7.748 -12.811 -20.194 1.00 0.00 ATOM 428 O ILE 64 3.748 -12.395 -21.397 1.00 0.00 ATOM 429 C ILE 64 4.131 -12.792 -22.503 1.00 0.00 ATOM 430 N GLN 65 1.605 -25.955 -18.499 1.00 0.00 ATOM 431 CA GLN 65 2.088 -26.928 -17.504 1.00 0.00 ATOM 432 CB GLN 65 1.449 -28.298 -17.741 1.00 0.00 ATOM 433 CG GLN 65 -0.046 -28.341 -17.473 1.00 0.00 ATOM 434 CD GLN 65 -0.654 -29.696 -17.774 1.00 0.00 ATOM 435 OE1 GLN 65 0.040 -30.616 -18.208 1.00 0.00 ATOM 436 NE2 GLN 65 -1.955 -29.826 -17.542 1.00 0.00 ATOM 437 O GLN 65 4.365 -26.219 -17.201 1.00 0.00 ATOM 438 C GLN 65 3.619 -27.143 -17.529 1.00 0.00 ATOM 439 N SER 66 4.100 -28.327 -17.924 1.00 0.00 ATOM 440 CA SER 66 5.542 -28.558 -17.932 1.00 0.00 ATOM 441 CB SER 66 5.845 -30.038 -18.174 1.00 0.00 ATOM 442 OG SER 66 5.455 -30.433 -19.478 1.00 0.00 ATOM 443 O SER 66 7.529 -27.676 -18.970 1.00 0.00 ATOM 444 C SER 66 6.303 -27.774 -19.020 1.00 0.00 ATOM 445 N TYR 67 5.597 -27.229 -20.005 1.00 0.00 ATOM 446 CA TYR 67 6.259 -26.428 -21.032 1.00 0.00 ATOM 447 CB TYR 67 5.452 -26.449 -22.332 1.00 0.00 ATOM 448 CG TYR 67 4.032 -25.954 -22.179 1.00 0.00 ATOM 449 CD1 TYR 67 3.749 -24.594 -22.196 1.00 0.00 ATOM 450 CD2 TYR 67 2.980 -26.846 -22.020 1.00 0.00 ATOM 451 CE1 TYR 67 2.453 -24.131 -22.057 1.00 0.00 ATOM 452 CE2 TYR 67 1.678 -26.401 -21.880 1.00 0.00 ATOM 453 CZ TYR 67 1.422 -25.030 -21.900 1.00 0.00 ATOM 454 OH TYR 67 0.132 -24.572 -21.762 1.00 0.00 ATOM 455 O TYR 67 7.028 -24.156 -21.321 1.00 0.00 ATOM 456 C TYR 67 6.422 -24.946 -20.611 1.00 0.00 ATOM 457 N PHE 68 5.869 -24.587 -19.462 1.00 0.00 ATOM 458 CA PHE 68 5.950 -23.224 -18.949 1.00 0.00 ATOM 459 CB PHE 68 4.839 -22.968 -17.930 1.00 0.00 ATOM 460 CG PHE 68 3.467 -22.886 -18.537 1.00 0.00 ATOM 461 CD1 PHE 68 2.641 -23.997 -18.567 1.00 0.00 ATOM 462 CD2 PHE 68 3.002 -21.699 -19.074 1.00 0.00 ATOM 463 CE1 PHE 68 1.379 -23.920 -19.126 1.00 0.00 ATOM 464 CE2 PHE 68 1.741 -21.624 -19.633 1.00 0.00 ATOM 465 CZ PHE 68 0.930 -22.728 -19.659 1.00 0.00 ATOM 466 O PHE 68 7.691 -23.719 -17.360 1.00 0.00 ATOM 467 C PHE 68 7.304 -22.997 -18.265 1.00 0.00 ATOM 468 N VAL 69 8.039 -21.976 -18.712 1.00 0.00 ATOM 469 CA VAL 69 9.355 -21.645 -18.140 1.00 0.00 ATOM 470 CB VAL 69 10.029 -20.493 -18.906 1.00 0.00 ATOM 471 CG1 VAL 69 11.303 -20.056 -18.200 1.00 0.00 ATOM 472 CG2 VAL 69 10.389 -20.930 -20.319 1.00 0.00 ATOM 473 O VAL 69 8.194 -20.600 -16.334 1.00 0.00 ATOM 474 C VAL 69 9.200 -21.223 -16.688 1.00 0.00 ATOM 475 N GLN 70 10.159 -21.566 -15.836 1.00 0.00 ATOM 476 CA GLN 70 10.059 -21.101 -14.453 1.00 0.00 ATOM 477 CB GLN 70 10.364 -22.243 -13.482 1.00 0.00 ATOM 478 CG GLN 70 11.785 -22.774 -13.575 1.00 0.00 ATOM 479 CD GLN 70 12.058 -23.885 -12.579 1.00 0.00 ATOM 480 OE1 GLN 70 12.213 -23.635 -11.384 1.00 0.00 ATOM 481 NE2 GLN 70 12.116 -25.117 -13.069 1.00 0.00 ATOM 482 O GLN 70 10.970 -19.134 -13.397 1.00 0.00 ATOM 483 C GLN 70 11.094 -19.960 -14.278 1.00 0.00 ATOM 484 N THR 71 12.097 -19.909 -15.149 1.00 0.00 ATOM 485 CA THR 71 13.070 -18.823 -15.138 1.00 0.00 ATOM 486 CB THR 71 14.365 -19.235 -14.412 1.00 0.00 ATOM 487 CG2 THR 71 15.350 -18.076 -14.386 1.00 0.00 ATOM 488 OG1 THR 71 14.061 -19.615 -13.065 1.00 0.00 ATOM 489 O THR 71 13.463 -19.373 -17.464 1.00 0.00 ATOM 490 C THR 71 13.382 -18.483 -16.602 1.00 0.00 ATOM 491 N LEU 72 13.531 -17.193 -16.888 1.00 0.00 ATOM 492 CA LEU 72 13.885 -16.731 -18.229 1.00 0.00 ATOM 493 CB LEU 72 12.665 -16.119 -18.923 1.00 0.00 ATOM 494 CG LEU 72 12.903 -15.533 -20.317 1.00 0.00 ATOM 495 CD1 LEU 72 13.249 -16.632 -21.310 1.00 0.00 ATOM 496 CD2 LEU 72 11.659 -14.814 -20.816 1.00 0.00 ATOM 497 O LEU 72 14.848 -14.881 -17.071 1.00 0.00 ATOM 498 C LEU 72 14.978 -15.692 -17.977 1.00 0.00 ATOM 499 N LYS 73 16.063 -15.752 -18.750 1.00 0.00 ATOM 500 CA LYS 73 17.156 -14.800 -18.610 1.00 0.00 ATOM 501 CB LYS 73 18.489 -15.535 -18.453 1.00 0.00 ATOM 502 CG LYS 73 18.609 -16.337 -17.167 1.00 0.00 ATOM 503 CD LYS 73 19.958 -17.028 -17.071 1.00 0.00 ATOM 504 CE LYS 73 20.061 -17.867 -15.807 1.00 0.00 ATOM 505 NZ LYS 73 21.371 -18.568 -15.711 1.00 0.00 ATOM 506 O LYS 73 17.105 -14.489 -20.986 1.00 0.00 ATOM 507 C LYS 73 17.153 -13.959 -19.878 1.00 0.00 ATOM 508 N ILE 74 17.127 -12.645 -19.696 1.00 0.00 ATOM 509 CA ILE 74 17.085 -11.705 -20.815 1.00 0.00 ATOM 510 CB ILE 74 15.961 -10.667 -20.639 1.00 0.00 ATOM 511 CG1 ILE 74 14.600 -11.362 -20.570 1.00 0.00 ATOM 512 CG2 ILE 74 15.947 -9.693 -21.807 1.00 0.00 ATOM 513 CD1 ILE 74 13.462 -10.441 -20.186 1.00 0.00 ATOM 514 O ILE 74 18.865 -10.264 -20.036 1.00 0.00 ATOM 515 C ILE 74 18.397 -10.915 -20.976 1.00 0.00 ATOM 516 N GLU 75 18.962 -10.993 -22.180 1.00 0.00 ATOM 517 CA GLU 75 20.216 -10.333 -22.559 1.00 0.00 ATOM 518 CB GLU 75 21.262 -11.368 -22.978 1.00 0.00 ATOM 519 CG GLU 75 21.694 -12.302 -21.858 1.00 0.00 ATOM 520 CD GLU 75 22.766 -13.279 -22.296 1.00 0.00 ATOM 521 OE1 GLU 75 23.141 -13.257 -23.487 1.00 0.00 ATOM 522 OE2 GLU 75 23.231 -14.069 -21.448 1.00 0.00 ATOM 523 O GLU 75 18.957 -9.680 -24.483 1.00 0.00 ATOM 524 C GLU 75 19.890 -9.414 -23.720 1.00 0.00 ATOM 525 N LYS 76 20.646 -8.326 -23.854 1.00 0.00 ATOM 526 CA LYS 76 20.448 -7.399 -24.968 1.00 0.00 ATOM 527 CB LYS 76 19.363 -6.376 -24.628 1.00 0.00 ATOM 528 CG LYS 76 19.717 -5.458 -23.469 1.00 0.00 ATOM 529 CD LYS 76 18.595 -4.473 -23.182 1.00 0.00 ATOM 530 CE LYS 76 18.966 -3.528 -22.051 1.00 0.00 ATOM 531 NZ LYS 76 17.884 -2.544 -21.772 1.00 0.00 ATOM 532 O LYS 76 22.575 -6.462 -24.398 1.00 0.00 ATOM 533 C LYS 76 21.736 -6.650 -25.274 1.00 0.00 ATOM 534 N SER 77 21.869 -6.225 -26.525 1.00 0.00 ATOM 535 CA SER 77 23.039 -5.488 -26.954 1.00 0.00 ATOM 536 CB SER 77 24.316 -6.259 -26.607 1.00 0.00 ATOM 537 OG SER 77 25.468 -5.555 -27.034 1.00 0.00 ATOM 538 O SER 77 21.977 -5.174 -29.096 1.00 0.00 ATOM 539 C SER 77 23.037 -5.250 -28.454 1.00 0.00 ATOM 540 N THR 78 24.236 -5.142 -29.017 1.00 0.00 ATOM 541 CA THR 78 24.400 -4.924 -30.448 1.00 0.00 ATOM 542 CB THR 78 25.747 -4.245 -30.765 1.00 0.00 ATOM 543 CG2 THR 78 25.893 -4.025 -32.264 1.00 0.00 ATOM 544 OG1 THR 78 25.813 -2.976 -30.102 1.00 0.00 ATOM 545 O THR 78 23.763 -6.374 -32.253 1.00 0.00 ATOM 546 C THR 78 24.354 -6.259 -31.183 1.00 0.00 ATOM 547 N SER 79 24.970 -7.277 -30.594 1.00 0.00 ATOM 548 CA SER 79 25.005 -8.598 -31.212 1.00 0.00 ATOM 549 CB SER 79 26.082 -8.654 -32.296 1.00 0.00 ATOM 550 OG SER 79 25.977 -9.845 -33.058 1.00 0.00 ATOM 551 O SER 79 25.565 -9.297 -29.000 1.00 0.00 ATOM 552 C SER 79 25.316 -9.641 -30.146 1.00 0.00 ATOM 553 N LYS 80 25.320 -10.930 -30.516 1.00 0.00 ATOM 554 CA LYS 80 25.618 -12.007 -29.561 1.00 0.00 ATOM 555 CB LYS 80 25.646 -13.361 -30.273 1.00 0.00 ATOM 556 CG LYS 80 25.903 -14.542 -29.350 1.00 0.00 ATOM 557 CD LYS 80 25.832 -15.858 -30.106 1.00 0.00 ATOM 558 CE LYS 80 26.070 -17.040 -29.179 1.00 0.00 ATOM 559 NZ LYS 80 26.001 -18.338 -29.905 1.00 0.00 ATOM 560 O LYS 80 27.173 -12.294 -27.740 1.00 0.00 ATOM 561 C LYS 80 26.973 -11.832 -28.869 1.00 0.00 ATOM 562 N GLU 81 27.899 -11.158 -29.550 1.00 0.00 ATOM 563 CA GLU 81 29.256 -10.938 -29.036 1.00 0.00 ATOM 564 CB GLU 81 30.185 -10.470 -30.159 1.00 0.00 ATOM 565 CG GLU 81 30.501 -11.541 -31.191 1.00 0.00 ATOM 566 CD GLU 81 31.347 -11.016 -32.334 1.00 0.00 ATOM 567 OE1 GLU 81 31.632 -9.801 -32.353 1.00 0.00 ATOM 568 OE2 GLU 81 31.723 -11.821 -33.211 1.00 0.00 ATOM 569 O GLU 81 30.281 -9.987 -27.087 1.00 0.00 ATOM 570 C GLU 81 29.387 -9.895 -27.933 1.00 0.00 ATOM 571 N PRO 82 28.512 -8.900 -27.932 1.00 0.00 ATOM 572 CA PRO 82 28.593 -7.867 -26.911 1.00 0.00 ATOM 573 CB PRO 82 28.631 -6.560 -27.706 1.00 0.00 ATOM 574 CG PRO 82 27.728 -6.804 -28.868 1.00 0.00 ATOM 575 CD PRO 82 27.936 -8.239 -29.264 1.00 0.00 ATOM 576 O PRO 82 27.368 -7.162 -24.971 1.00 0.00 ATOM 577 C PRO 82 27.391 -7.892 -25.959 1.00 0.00 ATOM 578 N VAL 83 26.393 -8.721 -26.263 1.00 0.00 ATOM 579 CA VAL 83 25.194 -8.821 -25.434 1.00 0.00 ATOM 580 CB VAL 83 24.405 -10.109 -25.735 1.00 0.00 ATOM 581 CG1 VAL 83 25.200 -11.332 -25.306 1.00 0.00 ATOM 582 CG2 VAL 83 23.082 -10.109 -24.988 1.00 0.00 ATOM 583 O VAL 83 26.471 -9.444 -23.472 1.00 0.00 ATOM 584 C VAL 83 25.497 -8.839 -23.936 1.00 0.00 ATOM 585 N ASP 84 24.650 -8.152 -23.189 1.00 0.00 ATOM 586 CA ASP 84 24.797 -8.062 -21.753 1.00 0.00 ATOM 587 CB ASP 84 25.068 -6.616 -21.332 1.00 0.00 ATOM 588 CG ASP 84 26.387 -6.091 -21.865 1.00 0.00 ATOM 589 OD1 ASP 84 27.413 -6.782 -21.693 1.00 0.00 ATOM 590 OD2 ASP 84 26.395 -4.991 -22.454 1.00 0.00 ATOM 591 O ASP 84 22.433 -8.372 -21.555 1.00 0.00 ATOM 592 C ASP 84 23.533 -8.533 -21.041 1.00 0.00 ATOM 593 N PHE 85 23.706 -9.103 -19.853 1.00 0.00 ATOM 594 CA PHE 85 22.594 -9.582 -19.049 1.00 0.00 ATOM 595 CB PHE 85 23.106 -10.330 -17.818 1.00 0.00 ATOM 596 CG PHE 85 23.722 -11.663 -18.131 1.00 0.00 ATOM 597 CD1 PHE 85 25.097 -11.808 -18.198 1.00 0.00 ATOM 598 CD2 PHE 85 22.928 -12.774 -18.359 1.00 0.00 ATOM 599 CE1 PHE 85 25.664 -13.034 -18.488 1.00 0.00 ATOM 600 CE2 PHE 85 23.495 -14.001 -18.647 1.00 0.00 ATOM 601 CZ PHE 85 24.857 -14.134 -18.712 1.00 0.00 ATOM 602 O PHE 85 22.248 -7.412 -18.057 1.00 0.00 ATOM 603 C PHE 85 21.732 -8.406 -18.581 1.00 0.00 ATOM 604 N GLU 86 20.421 -8.513 -18.757 1.00 0.00 ATOM 605 CA GLU 86 19.560 -7.430 -18.332 1.00 0.00 ATOM 606 CB GLU 86 18.694 -6.945 -19.496 1.00 0.00 ATOM 607 CG GLU 86 19.482 -6.348 -20.650 1.00 0.00 ATOM 608 CD GLU 86 20.015 -4.964 -20.336 1.00 0.00 ATOM 609 OE1 GLU 86 19.657 -4.417 -19.271 1.00 0.00 ATOM 610 OE2 GLU 86 20.793 -4.427 -21.152 1.00 0.00 ATOM 611 O GLU 86 18.457 -7.054 -16.264 1.00 0.00 ATOM 612 C GLU 86 18.620 -7.806 -17.217 1.00 0.00 ATOM 613 N GLN 87 18.005 -8.971 -17.306 1.00 0.00 ATOM 614 CA GLN 87 17.080 -9.325 -16.258 1.00 0.00 ATOM 615 CB GLN 87 15.734 -8.632 -16.476 1.00 0.00 ATOM 616 CG GLN 87 14.686 -8.968 -15.427 1.00 0.00 ATOM 617 CD GLN 87 13.418 -8.154 -15.588 1.00 0.00 ATOM 618 OE1 GLN 87 13.263 -7.414 -16.560 1.00 0.00 ATOM 619 NE2 GLN 87 12.504 -8.287 -14.634 1.00 0.00 ATOM 620 O GLN 87 16.795 -11.556 -17.110 1.00 0.00 ATOM 621 C GLN 87 16.768 -10.798 -16.133 1.00 0.00 ATOM 622 N TRP 88 16.470 -11.191 -14.905 1.00 0.00 ATOM 623 CA TRP 88 16.098 -12.561 -14.610 1.00 0.00 ATOM 624 CB TRP 88 16.899 -13.089 -13.417 1.00 0.00 ATOM 625 CG TRP 88 18.366 -13.217 -13.690 1.00 0.00 ATOM 626 CD1 TRP 88 19.004 -12.970 -14.871 1.00 0.00 ATOM 627 CD2 TRP 88 19.380 -13.625 -12.762 1.00 0.00 ATOM 628 CE2 TRP 88 20.608 -13.601 -13.451 1.00 0.00 ATOM 629 CE3 TRP 88 19.367 -14.008 -11.418 1.00 0.00 ATOM 630 NE1 TRP 88 20.354 -13.198 -14.738 1.00 0.00 ATOM 631 CZ2 TRP 88 21.814 -13.945 -12.839 1.00 0.00 ATOM 632 CZ3 TRP 88 20.565 -14.348 -10.817 1.00 0.00 ATOM 633 CH2 TRP 88 21.771 -14.315 -11.523 1.00 0.00 ATOM 634 O TRP 88 14.178 -11.778 -13.409 1.00 0.00 ATOM 635 C TRP 88 14.612 -12.520 -14.290 1.00 0.00 ATOM 636 N ILE 89 13.838 -13.307 -15.022 1.00 0.00 ATOM 637 CA ILE 89 12.414 -13.372 -14.784 1.00 0.00 ATOM 638 CB ILE 89 11.619 -13.348 -16.103 1.00 0.00 ATOM 639 CG1 ILE 89 11.896 -12.053 -16.868 1.00 0.00 ATOM 640 CG2 ILE 89 10.126 -13.434 -15.828 1.00 0.00 ATOM 641 CD1 ILE 89 11.332 -12.040 -18.273 1.00 0.00 ATOM 642 O ILE 89 12.406 -15.745 -14.522 1.00 0.00 ATOM 643 C ILE 89 12.105 -14.649 -14.055 1.00 0.00 ATOM 644 N GLU 90 11.506 -14.505 -12.894 1.00 0.00 ATOM 645 CA GLU 90 11.130 -15.653 -12.142 1.00 0.00 ATOM 646 CB GLU 90 11.475 -15.462 -10.664 1.00 0.00 ATOM 647 CG GLU 90 11.175 -16.672 -9.795 1.00 0.00 ATOM 648 CD GLU 90 11.636 -16.490 -8.363 1.00 0.00 ATOM 649 OE1 GLU 90 12.139 -15.394 -8.035 1.00 0.00 ATOM 650 OE2 GLU 90 11.495 -17.441 -7.566 1.00 0.00 ATOM 651 O GLU 90 8.824 -15.051 -11.742 1.00 0.00 ATOM 652 C GLU 90 9.606 -15.803 -12.332 1.00 0.00 ATOM 656 N LEU 93 9.192 -16.755 -13.173 1.00 0.00 ATOM 657 CA LEU 93 7.757 -16.979 -13.438 1.00 0.00 ATOM 658 CB LEU 93 7.565 -17.684 -14.783 1.00 0.00 ATOM 659 CG LEU 93 8.022 -16.915 -16.023 1.00 0.00 ATOM 660 CD1 LEU 93 7.838 -17.755 -17.277 1.00 0.00 ATOM 661 CD2 LEU 93 7.218 -15.633 -16.187 1.00 0.00 ATOM 662 O LEU 93 7.110 -19.067 -12.474 1.00 0.00 ATOM 663 C LEU 93 7.168 -17.856 -12.323 1.00 0.00 ATOM 664 N VAL 94 6.752 -17.264 -11.208 1.00 0.00 ATOM 665 CA VAL 94 6.210 -18.056 -10.103 1.00 0.00 ATOM 666 CB VAL 94 6.288 -17.292 -8.768 1.00 0.00 ATOM 667 CG1 VAL 94 5.597 -18.077 -7.664 1.00 0.00 ATOM 668 CG2 VAL 94 7.738 -17.070 -8.366 1.00 0.00 ATOM 669 O VAL 94 4.372 -19.551 -10.043 1.00 0.00 ATOM 670 C VAL 94 4.768 -18.426 -10.300 1.00 0.00 ATOM 671 N HIS 95 3.961 -17.463 -10.713 1.00 0.00 ATOM 672 CA HIS 95 2.555 -17.750 -10.919 1.00 0.00 ATOM 673 CB HIS 95 1.789 -17.665 -9.597 1.00 0.00 ATOM 674 CG HIS 95 0.340 -18.019 -9.713 1.00 0.00 ATOM 675 CD2 HIS 95 -0.918 -17.291 -9.619 1.00 0.00 ATOM 676 ND1 HIS 95 -0.095 -19.301 -9.969 1.00 0.00 ATOM 677 CE1 HIS 95 -1.439 -19.306 -10.015 1.00 0.00 ATOM 678 NE2 HIS 95 -1.939 -18.104 -9.807 1.00 0.00 ATOM 679 O HIS 95 1.767 -15.568 -11.539 1.00 0.00 ATOM 680 C HIS 95 2.010 -16.726 -11.896 1.00 0.00 ATOM 681 N THR 96 1.829 -17.150 -13.137 1.00 0.00 ATOM 682 CA THR 96 1.337 -16.236 -14.149 1.00 0.00 ATOM 683 CB THR 96 2.488 -15.633 -14.974 1.00 0.00 ATOM 684 CG2 THR 96 1.950 -14.654 -16.006 1.00 0.00 ATOM 685 OG1 THR 96 3.391 -14.939 -14.104 1.00 0.00 ATOM 686 O THR 96 0.647 -18.022 -15.580 1.00 0.00 ATOM 687 C THR 96 0.398 -16.907 -15.131 1.00 0.00 ATOM 688 N GLU 97 -0.690 -16.216 -15.440 1.00 0.00 ATOM 689 CA GLU 97 -1.632 -16.678 -16.441 1.00 0.00 ATOM 690 CB GLU 97 -2.783 -17.440 -15.783 1.00 0.00 ATOM 691 CG GLU 97 -3.743 -18.087 -16.769 1.00 0.00 ATOM 692 CD GLU 97 -4.856 -18.853 -16.081 1.00 0.00 ATOM 693 OE1 GLU 97 -4.874 -18.881 -14.833 1.00 0.00 ATOM 694 OE2 GLU 97 -5.709 -19.427 -16.791 1.00 0.00 ATOM 695 O GLU 97 -3.042 -14.775 -16.638 1.00 0.00 ATOM 696 C GLU 97 -2.100 -15.408 -17.095 1.00 0.00 ATOM 697 N GLY 98 -1.391 -15.030 -18.157 1.00 0.00 ATOM 698 CA GLY 98 -1.686 -13.817 -18.882 1.00 0.00 ATOM 699 O GLY 98 0.690 -13.749 -19.430 1.00 0.00 ATOM 700 C GLY 98 -0.421 -13.190 -19.474 1.00 0.00 ATOM 701 N GLN 99 -0.614 -12.011 -20.050 1.00 0.00 ATOM 702 CA GLN 99 0.449 -11.245 -20.658 1.00 0.00 ATOM 703 CB GLN 99 -0.115 -10.276 -21.698 1.00 0.00 ATOM 704 CG GLN 99 -0.789 -10.957 -22.878 1.00 0.00 ATOM 705 CD GLN 99 -1.437 -9.968 -23.828 1.00 0.00 ATOM 706 OE1 GLN 99 -1.566 -8.785 -23.515 1.00 0.00 ATOM 707 NE2 GLN 99 -1.848 -10.452 -24.995 1.00 0.00 ATOM 708 O GLN 99 0.660 -9.796 -18.733 1.00 0.00 ATOM 709 C GLN 99 1.232 -10.415 -19.640 1.00 0.00 ATOM 710 N LEU 100 7.012 -6.032 -20.011 1.00 0.00 ATOM 711 CA LEU 100 8.268 -5.639 -19.409 1.00 0.00 ATOM 712 CB LEU 100 9.353 -6.676 -19.707 1.00 0.00 ATOM 713 CG LEU 100 10.718 -6.435 -19.060 1.00 0.00 ATOM 714 CD1 LEU 100 10.621 -6.542 -17.546 1.00 0.00 ATOM 715 CD2 LEU 100 11.732 -7.458 -19.546 1.00 0.00 ATOM 716 O LEU 100 8.828 -4.138 -21.166 1.00 0.00 ATOM 717 C LEU 100 8.722 -4.303 -19.953 1.00 0.00 ATOM 718 N GLN 101 8.984 -3.363 -19.049 1.00 0.00 ATOM 719 CA GLN 101 9.428 -2.015 -19.403 1.00 0.00 ATOM 720 CB GLN 101 8.762 -0.976 -18.499 1.00 0.00 ATOM 721 CG GLN 101 7.246 -0.932 -18.616 1.00 0.00 ATOM 722 CD GLN 101 6.615 0.022 -17.623 1.00 0.00 ATOM 723 OE1 GLN 101 7.302 0.619 -16.794 1.00 0.00 ATOM 724 NE2 GLN 101 5.296 0.169 -17.702 1.00 0.00 ATOM 725 O GLN 101 11.506 -0.807 -19.405 1.00 0.00 ATOM 726 C GLN 101 10.943 -1.889 -19.246 1.00 0.00 ATOM 730 N SER 111 17.475 0.652 -25.738 1.00 0.00 ATOM 731 CA SER 111 18.030 0.799 -27.087 1.00 0.00 ATOM 732 CB SER 111 18.732 2.151 -27.232 1.00 0.00 ATOM 733 OG SER 111 19.216 2.335 -28.551 1.00 0.00 ATOM 734 O SER 111 20.187 -0.250 -26.933 1.00 0.00 ATOM 735 C SER 111 19.053 -0.288 -27.407 1.00 0.00 ATOM 736 N ALA 112 18.653 -1.241 -28.239 1.00 0.00 ATOM 737 CA ALA 112 19.526 -2.342 -28.603 1.00 0.00 ATOM 738 CB ALA 112 19.385 -3.482 -27.607 1.00 0.00 ATOM 739 O ALA 112 18.100 -2.459 -30.500 1.00 0.00 ATOM 740 C ALA 112 19.145 -2.827 -29.971 1.00 0.00 ATOM 741 N THR 113 19.986 -3.677 -30.546 1.00 0.00 ATOM 742 CA THR 113 19.691 -4.229 -31.862 1.00 0.00 ATOM 743 CB THR 113 20.823 -3.934 -32.864 1.00 0.00 ATOM 744 CG2 THR 113 21.039 -2.434 -32.998 1.00 0.00 ATOM 745 OG1 THR 113 22.039 -4.539 -32.406 1.00 0.00 ATOM 746 O THR 113 18.971 -6.385 -32.641 1.00 0.00 ATOM 747 C THR 113 19.526 -5.733 -31.751 1.00 0.00 ATOM 748 N TYR 114 20.030 -6.270 -30.646 1.00 0.00 ATOM 749 CA TYR 114 20.014 -7.695 -30.405 1.00 0.00 ATOM 750 CB TYR 114 21.430 -8.267 -30.478 1.00 0.00 ATOM 751 CG TYR 114 21.503 -9.757 -30.232 1.00 0.00 ATOM 752 CD1 TYR 114 21.088 -10.659 -31.204 1.00 0.00 ATOM 753 CD2 TYR 114 21.986 -10.259 -29.031 1.00 0.00 ATOM 754 CE1 TYR 114 21.150 -12.023 -30.990 1.00 0.00 ATOM 755 CE2 TYR 114 22.056 -11.619 -28.799 1.00 0.00 ATOM 756 CZ TYR 114 21.633 -12.502 -29.791 1.00 0.00 ATOM 757 OH TYR 114 21.697 -13.859 -29.575 1.00 0.00 ATOM 758 O TYR 114 19.822 -7.468 -28.010 1.00 0.00 ATOM 759 C TYR 114 19.450 -8.056 -29.033 1.00 0.00 ATOM 760 N LEU 115 18.550 -9.032 -29.024 1.00 0.00 ATOM 761 CA LEU 115 17.968 -9.503 -27.777 1.00 0.00 ATOM 762 CB LEU 115 16.500 -9.083 -27.678 1.00 0.00 ATOM 763 CG LEU 115 16.228 -7.578 -27.641 1.00 0.00 ATOM 764 CD1 LEU 115 14.735 -7.299 -27.727 1.00 0.00 ATOM 765 CD2 LEU 115 16.750 -6.967 -26.349 1.00 0.00 ATOM 766 O LEU 115 17.863 -11.693 -28.753 1.00 0.00 ATOM 767 C LEU 115 18.060 -11.028 -27.737 1.00 0.00 ATOM 768 N ARG 116 18.381 -11.565 -26.561 1.00 0.00 ATOM 769 CA ARG 116 18.473 -13.010 -26.364 1.00 0.00 ATOM 770 CB ARG 116 19.936 -13.442 -26.244 1.00 0.00 ATOM 771 CG ARG 116 20.127 -14.937 -26.041 1.00 0.00 ATOM 772 CD ARG 116 21.602 -15.301 -25.979 1.00 0.00 ATOM 773 NE ARG 116 21.803 -16.732 -25.765 1.00 0.00 ATOM 774 CZ ARG 116 22.994 -17.323 -25.735 1.00 0.00 ATOM 775 NH1 ARG 116 23.080 -18.630 -25.534 1.00 0.00 ATOM 776 NH2 ARG 116 24.094 -16.603 -25.906 1.00 0.00 ATOM 777 O ARG 116 17.923 -12.839 -24.025 1.00 0.00 ATOM 778 C ARG 116 17.747 -13.434 -25.094 1.00 0.00 ATOM 779 N PHE 117 16.938 -14.479 -25.222 1.00 0.00 ATOM 780 CA PHE 117 16.230 -15.040 -24.090 1.00 0.00 ATOM 781 CB PHE 117 14.721 -15.037 -24.347 1.00 0.00 ATOM 782 CG PHE 117 14.131 -13.662 -24.478 1.00 0.00 ATOM 783 CD1 PHE 117 14.019 -13.056 -25.718 1.00 0.00 ATOM 784 CD2 PHE 117 13.688 -12.975 -23.362 1.00 0.00 ATOM 785 CE1 PHE 117 13.476 -11.792 -25.838 1.00 0.00 ATOM 786 CE2 PHE 117 13.144 -11.709 -23.482 1.00 0.00 ATOM 787 CZ PHE 117 13.038 -11.118 -24.714 1.00 0.00 ATOM 788 O PHE 117 16.782 -17.229 -24.861 1.00 0.00 ATOM 789 C PHE 117 16.718 -16.471 -23.897 1.00 0.00 ATOM 790 N ILE 118 17.056 -16.835 -22.662 1.00 0.00 ATOM 791 CA ILE 118 17.496 -18.197 -22.343 1.00 0.00 ATOM 792 CB ILE 118 18.895 -18.204 -21.701 1.00 0.00 ATOM 793 CG1 ILE 118 19.928 -17.616 -22.666 1.00 0.00 ATOM 794 CG2 ILE 118 19.315 -19.623 -21.350 1.00 0.00 ATOM 795 CD1 ILE 118 21.276 -17.351 -22.030 1.00 0.00 ATOM 796 O ILE 118 16.089 -18.176 -20.402 1.00 0.00 ATOM 797 C ILE 118 16.508 -18.809 -21.373 1.00 0.00 ATOM 798 N ILE 119 16.173 -20.064 -21.630 1.00 0.00 ATOM 799 CA ILE 119 15.225 -20.815 -20.823 1.00 0.00 ATOM 800 CB ILE 119 14.069 -21.364 -21.677 1.00 0.00 ATOM 801 CG1 ILE 119 13.367 -20.227 -22.420 1.00 0.00 ATOM 802 CG2 ILE 119 13.046 -22.069 -20.797 1.00 0.00 ATOM 803 CD1 ILE 119 12.314 -20.696 -23.402 1.00 0.00 ATOM 804 O ILE 119 16.102 -23.048 -20.763 1.00 0.00 ATOM 805 C ILE 119 15.967 -21.992 -20.168 1.00 0.00 ATOM 806 N VAL 120 16.450 -21.813 -18.928 1.00 0.00 ATOM 807 CA VAL 120 17.185 -22.878 -18.245 1.00 0.00 ATOM 808 CB VAL 120 18.101 -22.314 -17.144 1.00 0.00 ATOM 809 CG1 VAL 120 19.085 -21.312 -17.729 1.00 0.00 ATOM 810 CG2 VAL 120 17.279 -21.612 -16.074 1.00 0.00 ATOM 811 O VAL 120 16.871 -25.057 -17.371 1.00 0.00 ATOM 812 C VAL 120 16.373 -23.951 -17.536 1.00 0.00 ATOM 813 N SER 121 15.134 -23.642 -17.153 1.00 0.00 ATOM 814 CA SER 121 14.335 -24.610 -16.421 1.00 0.00 ATOM 815 CB SER 121 14.705 -24.598 -14.937 1.00 0.00 ATOM 816 OG SER 121 13.895 -25.498 -14.201 1.00 0.00 ATOM 817 O SER 121 12.455 -23.125 -16.685 1.00 0.00 ATOM 818 C SER 121 12.852 -24.295 -16.543 1.00 0.00 ATOM 819 N ALA 122 12.036 -25.345 -16.509 1.00 0.00 ATOM 820 CA ALA 122 10.578 -25.210 -16.642 1.00 0.00 ATOM 821 CB ALA 122 10.079 -25.991 -17.847 1.00 0.00 ATOM 822 O ALA 122 10.518 -26.422 -14.590 1.00 0.00 ATOM 823 C ALA 122 9.897 -25.743 -15.399 1.00 0.00 ATOM 824 N PHE 123 8.615 -25.434 -15.268 1.00 0.00 ATOM 825 CA PHE 123 7.825 -25.928 -14.148 1.00 0.00 ATOM 826 CB PHE 123 6.488 -25.189 -14.069 1.00 0.00 ATOM 827 CG PHE 123 6.603 -23.782 -13.556 1.00 0.00 ATOM 828 CD1 PHE 123 6.705 -22.716 -14.434 1.00 0.00 ATOM 829 CD2 PHE 123 6.608 -23.522 -12.197 1.00 0.00 ATOM 830 CE1 PHE 123 6.810 -21.421 -13.963 1.00 0.00 ATOM 831 CE2 PHE 123 6.714 -22.228 -11.725 1.00 0.00 ATOM 832 CZ PHE 123 6.814 -21.179 -12.601 1.00 0.00 ATOM 833 O PHE 123 7.640 -27.940 -15.486 1.00 0.00 ATOM 834 C PHE 123 7.567 -27.431 -14.356 1.00 0.00 ATOM 835 N ASP 124 7.309 -28.136 -13.254 1.00 0.00 ATOM 836 CA ASP 124 6.933 -29.549 -13.318 1.00 0.00 ATOM 837 CB ASP 124 5.534 -29.704 -13.915 1.00 0.00 ATOM 838 CG ASP 124 4.458 -29.077 -13.050 1.00 0.00 ATOM 839 OD1 ASP 124 4.442 -29.352 -11.832 1.00 0.00 ATOM 840 OD2 ASP 124 3.631 -28.313 -13.591 1.00 0.00 ATOM 841 O ASP 124 7.267 -31.216 -14.989 1.00 0.00 ATOM 842 C ASP 124 7.805 -30.505 -14.151 1.00 0.00 ATOM 843 N HIS 125 9.119 -30.507 -13.938 1.00 0.00 ATOM 844 CA HIS 125 10.005 -31.422 -14.640 1.00 0.00 ATOM 845 CB HIS 125 9.670 -32.871 -14.282 1.00 0.00 ATOM 846 CG HIS 125 9.709 -33.155 -12.812 1.00 0.00 ATOM 847 CD2 HIS 125 8.717 -33.438 -11.784 1.00 0.00 ATOM 848 ND1 HIS 125 10.882 -33.196 -12.091 1.00 0.00 ATOM 849 CE1 HIS 125 10.596 -33.471 -10.806 1.00 0.00 ATOM 850 NE2 HIS 125 9.299 -33.617 -10.614 1.00 0.00 ATOM 851 O HIS 125 10.311 -32.336 -16.833 1.00 0.00 ATOM 852 C HIS 125 9.966 -31.360 -16.174 1.00 0.00 ATOM 853 N PHE 126 9.578 -30.213 -16.730 1.00 0.00 ATOM 854 CA PHE 126 9.491 -30.066 -18.175 1.00 0.00 ATOM 855 CB PHE 126 8.648 -28.842 -18.537 1.00 0.00 ATOM 856 CG PHE 126 8.474 -28.643 -20.016 1.00 0.00 ATOM 857 CD1 PHE 126 7.595 -29.433 -20.737 1.00 0.00 ATOM 858 CD2 PHE 126 9.187 -27.666 -20.687 1.00 0.00 ATOM 859 CE1 PHE 126 7.434 -29.250 -22.097 1.00 0.00 ATOM 860 CE2 PHE 126 9.027 -27.482 -22.048 1.00 0.00 ATOM 861 CZ PHE 126 8.155 -28.270 -22.752 1.00 0.00 ATOM 862 O PHE 126 11.632 -29.044 -18.516 1.00 0.00 ATOM 863 C PHE 126 10.825 -29.884 -18.888 1.00 0.00 ATOM 864 N ALA 127 11.050 -30.676 -19.926 1.00 0.00 ATOM 865 CA ALA 127 12.283 -30.589 -20.706 1.00 0.00 ATOM 866 CB ALA 127 12.521 -31.884 -21.469 1.00 0.00 ATOM 867 O ALA 127 12.999 -28.507 -21.692 1.00 0.00 ATOM 868 C ALA 127 12.188 -29.436 -21.712 1.00 0.00 ATOM 869 N SER 128 11.192 -29.483 -22.579 1.00 0.00 ATOM 870 CA SER 128 11.040 -28.433 -23.575 1.00 0.00 ATOM 871 CB SER 128 10.515 -29.014 -24.889 1.00 0.00 ATOM 872 OG SER 128 11.448 -29.916 -25.458 1.00 0.00 ATOM 873 O SER 128 9.244 -27.536 -22.263 1.00 0.00 ATOM 874 C SER 128 10.069 -27.335 -23.154 1.00 0.00 ATOM 875 N VAL 129 10.168 -26.198 -23.839 1.00 0.00 ATOM 876 CA VAL 129 9.410 -24.988 -23.535 1.00 0.00 ATOM 877 CB VAL 129 10.340 -23.779 -23.317 1.00 0.00 ATOM 878 CG1 VAL 129 9.526 -22.516 -23.080 1.00 0.00 ATOM 879 CG2 VAL 129 11.235 -24.009 -22.108 1.00 0.00 ATOM 880 O VAL 129 8.612 -24.797 -25.793 1.00 0.00 ATOM 881 C VAL 129 8.415 -24.526 -24.604 1.00 0.00 ATOM 882 N HIS 130 7.341 -23.854 -24.164 1.00 0.00 ATOM 883 CA HIS 130 6.299 -23.285 -25.050 1.00 0.00 ATOM 884 CB HIS 130 4.917 -23.810 -24.657 1.00 0.00 ATOM 885 CG HIS 130 4.717 -25.264 -24.947 1.00 0.00 ATOM 886 CD2 HIS 130 5.397 -26.265 -25.757 1.00 0.00 ATOM 887 ND1 HIS 130 3.688 -25.999 -24.400 1.00 0.00 ATOM 888 CE1 HIS 130 3.768 -27.266 -24.843 1.00 0.00 ATOM 889 NE2 HIS 130 4.792 -27.433 -25.658 1.00 0.00 ATOM 890 O HIS 130 6.538 -21.219 -23.872 1.00 0.00 ATOM 891 C HIS 130 6.293 -21.770 -24.942 1.00 0.00 ATOM 892 N SER 131 5.993 -21.114 -26.054 1.00 0.00 ATOM 893 CA SER 131 5.812 -19.674 -26.088 1.00 0.00 ATOM 894 CB SER 131 7.086 -18.984 -26.581 1.00 0.00 ATOM 895 OG SER 131 6.908 -17.581 -26.664 1.00 0.00 ATOM 896 O SER 131 4.804 -19.764 -28.258 1.00 0.00 ATOM 897 C SER 131 4.655 -19.499 -27.054 1.00 0.00 ATOM 898 N VAL 132 3.493 -19.102 -26.534 1.00 0.00 ATOM 899 CA VAL 132 2.320 -18.886 -27.397 1.00 0.00 ATOM 900 CB VAL 132 1.005 -19.094 -26.624 1.00 0.00 ATOM 901 CG1 VAL 132 0.947 -20.495 -26.035 1.00 0.00 ATOM 902 CG2 VAL 132 0.891 -18.089 -25.487 1.00 0.00 ATOM 903 O VAL 132 1.731 -17.217 -28.991 1.00 0.00 ATOM 904 C VAL 132 2.322 -17.463 -27.950 1.00 0.00 ATOM 905 N SER 133 2.984 -16.535 -27.262 1.00 0.00 ATOM 906 CA SER 133 3.026 -15.160 -27.748 1.00 0.00 ATOM 907 CB SER 133 1.687 -14.464 -27.502 1.00 0.00 ATOM 908 OG SER 133 1.738 -13.106 -27.901 1.00 0.00 ATOM 909 O SER 133 4.364 -14.297 -25.920 1.00 0.00 ATOM 910 C SER 133 4.074 -14.244 -27.119 1.00 0.00 ATOM 911 N ALA 134 4.669 -13.411 -27.956 1.00 0.00 ATOM 912 CA ALA 134 5.650 -12.453 -27.522 1.00 0.00 ATOM 913 CB ALA 134 7.028 -13.094 -27.463 1.00 0.00 ATOM 914 O ALA 134 5.474 -11.537 -29.738 1.00 0.00 ATOM 915 C ALA 134 5.643 -11.308 -28.540 1.00 0.00 ATOM 916 N GLU 135 5.789 -10.075 -28.063 1.00 0.00 ATOM 917 CA GLU 135 5.788 -8.926 -28.962 1.00 0.00 ATOM 918 CB GLU 135 4.376 -8.353 -29.097 1.00 0.00 ATOM 919 CG GLU 135 3.802 -7.800 -27.802 1.00 0.00 ATOM 920 CD GLU 135 2.366 -7.339 -27.951 1.00 0.00 ATOM 921 OE1 GLU 135 1.824 -7.434 -29.071 1.00 0.00 ATOM 922 OE2 GLU 135 1.782 -6.880 -26.946 1.00 0.00 ATOM 923 O GLU 135 6.862 -7.657 -27.255 1.00 0.00 ATOM 924 C GLU 135 6.680 -7.830 -28.462 1.00 0.00 ATOM 925 N GLY 136 7.262 -7.106 -29.408 1.00 0.00 ATOM 926 CA GLY 136 8.175 -6.024 -29.090 1.00 0.00 ATOM 927 O GLY 136 6.874 -4.641 -30.549 1.00 0.00 ATOM 928 C GLY 136 7.561 -4.693 -29.538 1.00 0.00 ATOM 929 N THR 137 7.789 -3.630 -28.766 1.00 0.00 ATOM 930 CA THR 137 7.251 -2.316 -29.113 1.00 0.00 ATOM 931 CB THR 137 6.046 -1.948 -28.228 1.00 0.00 ATOM 932 CG2 THR 137 4.959 -3.005 -28.343 1.00 0.00 ATOM 933 OG1 THR 137 6.463 -1.859 -26.861 1.00 0.00 ATOM 934 O THR 137 9.146 -1.248 -28.088 1.00 0.00 ATOM 935 C THR 137 8.262 -1.195 -28.951 1.00 0.00 ATOM 936 N VAL 138 8.135 -0.182 -29.802 1.00 0.00 ATOM 937 CA VAL 138 8.977 1.011 -29.699 1.00 0.00 ATOM 938 CB VAL 138 9.812 1.223 -30.974 1.00 0.00 ATOM 939 CG1 VAL 138 10.770 0.059 -31.185 1.00 0.00 ATOM 940 CG2 VAL 138 8.909 1.327 -32.193 1.00 0.00 ATOM 941 O VAL 138 6.819 2.076 -29.874 1.00 0.00 ATOM 942 C VAL 138 7.995 2.174 -29.491 1.00 0.00 ATOM 943 N VAL 139 8.453 3.269 -28.864 1.00 0.00 ATOM 944 CA VAL 139 7.609 4.440 -28.613 1.00 0.00 ATOM 945 CB VAL 139 8.402 5.574 -27.939 1.00 0.00 ATOM 946 CG1 VAL 139 7.526 6.805 -27.762 1.00 0.00 ATOM 947 CG2 VAL 139 8.898 5.137 -26.570 1.00 0.00 ATOM 948 O VAL 139 7.666 4.938 -30.963 1.00 0.00 ATOM 949 C VAL 139 7.026 4.998 -29.910 1.00 0.00 TER END