PFRMAT TS TARGET T0317 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 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 near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. 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 We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. 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 which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD We did very little for T0317. The automatically generated model METHOD looked good and was similar to the models from the other good servers. METHOD We just turned up breaks and clashes and reoptimized our automatically METHOD generated model. METHOD METHOD Model 1 is try2-opt2 our best-scoring model (rosetta likes it's METHOD backbone best for repacking sidechains, but we have not submitted the METHOD rosetta-repacked model). METHOD METHOD Model 2 is try1-opt2, our automatically-generated starting point. METHOD METHOD Model 3 is just sidechain replacement by SCWRL on an alignment to 1wrmA METHOD METHOD Model 4 is just sidechain replacement by SCWRL on an alignment to 1yz4A METHOD METHOD Model 5 is just sidechain replacement by SCWRL on an alignment to 1vhrA METHOD REMARK 6 REMARK 6 T0317 model 3 Wed Jun 21 21:12:55 2006 MODEL 3 PARENT 1wrm_A ATOM 2 N ALA 6 -2.909 10.748 12.857 1.00 0.00 ATOM 3 CA ALA 6 -1.659 10.254 12.267 1.00 0.00 ATOM 4 CB ALA 6 -0.502 10.457 13.232 1.00 0.00 ATOM 5 O ALA 6 -0.816 8.261 11.242 1.00 0.00 ATOM 6 C ALA 6 -1.704 8.769 11.925 1.00 0.00 ATOM 7 N ALA 7 -2.733 8.077 12.405 1.00 0.00 ATOM 8 CA ALA 7 -2.889 6.648 12.140 1.00 0.00 ATOM 9 CB ALA 7 -2.614 5.841 13.399 1.00 0.00 ATOM 10 O ALA 7 -4.793 5.190 11.817 1.00 0.00 ATOM 11 C ALA 7 -4.311 6.316 11.667 1.00 0.00 ATOM 12 N PRO 8 -4.973 7.318 11.091 1.00 0.00 ATOM 13 CA PRO 8 -6.317 7.133 10.572 1.00 0.00 ATOM 14 CB PRO 8 -6.241 5.809 9.810 1.00 0.00 ATOM 15 CG PRO 8 -5.205 5.018 10.536 1.00 0.00 ATOM 16 CD PRO 8 -4.170 6.009 10.993 1.00 0.00 ATOM 17 O PRO 8 -7.104 7.198 12.827 1.00 0.00 ATOM 18 C PRO 8 -7.386 7.058 11.639 1.00 0.00 ATOM 19 N PRO 9 -8.620 6.829 11.204 1.00 0.00 ATOM 20 CA PRO 9 -9.750 6.733 12.114 1.00 0.00 ATOM 21 CB PRO 9 -10.642 7.912 11.721 1.00 0.00 ATOM 22 CG PRO 9 -10.492 8.016 10.239 1.00 0.00 ATOM 23 CD PRO 9 -9.070 7.635 9.937 1.00 0.00 ATOM 24 O PRO 9 -11.646 5.277 12.236 1.00 0.00 ATOM 25 C PRO 9 -10.464 5.397 11.933 1.00 0.00 ATOM 26 N PRO 10 -9.739 4.401 11.439 1.00 0.00 ATOM 27 CA PRO 10 -10.329 3.093 11.206 1.00 0.00 ATOM 28 CB PRO 10 -11.827 3.322 11.417 1.00 0.00 ATOM 29 CG PRO 10 -11.900 4.521 12.300 1.00 0.00 ATOM 30 CD PRO 10 -10.764 5.414 11.887 1.00 0.00 ATOM 31 O PRO 10 -9.483 3.509 9.028 1.00 0.00 ATOM 32 C PRO 10 -9.989 2.685 9.787 1.00 0.00 ATOM 33 N PHE 11 -10.239 1.436 9.407 1.00 0.00 ATOM 34 CA PHE 11 -9.898 1.047 8.042 1.00 0.00 ATOM 35 CB PHE 11 -10.058 -0.464 7.859 1.00 0.00 ATOM 36 CG PHE 11 -9.006 -1.274 8.561 1.00 0.00 ATOM 37 CD1 PHE 11 -7.898 -0.662 9.120 1.00 0.00 ATOM 38 CD2 PHE 11 -9.124 -2.649 8.662 1.00 0.00 ATOM 39 CE1 PHE 11 -6.930 -1.407 9.765 1.00 0.00 ATOM 40 CE2 PHE 11 -8.156 -3.395 9.307 1.00 0.00 ATOM 41 CZ PHE 11 -7.062 -2.780 9.857 1.00 0.00 ATOM 42 O PHE 11 -12.020 1.938 7.331 1.00 0.00 ATOM 43 C PHE 11 -10.823 1.767 7.073 1.00 0.00 ATOM 44 N ALA 12 -10.252 2.204 5.959 1.00 0.00 ATOM 45 CA ALA 12 -11.003 2.944 4.958 1.00 0.00 ATOM 46 CB ALA 12 -10.378 4.312 4.730 1.00 0.00 ATOM 47 O ALA 12 -10.032 1.700 3.148 1.00 0.00 ATOM 48 C ALA 12 -11.044 2.235 3.615 1.00 0.00 ATOM 49 N ARG 13 -12.218 2.247 2.994 1.00 0.00 ATOM 50 CA ARG 13 -12.375 1.637 1.687 1.00 0.00 ATOM 51 CB ARG 13 -13.857 1.468 1.348 1.00 0.00 ATOM 52 CG ARG 13 -14.116 0.739 0.039 1.00 0.00 ATOM 53 CD ARG 13 -15.605 0.561 -0.209 1.00 0.00 ATOM 54 NE ARG 13 -15.871 -0.164 -1.449 1.00 0.00 ATOM 55 CZ ARG 13 -17.087 -0.462 -1.895 1.00 0.00 ATOM 56 NH1 ARG 13 -17.232 -1.126 -3.034 1.00 0.00 ATOM 57 NH2 ARG 13 -18.155 -0.096 -1.199 1.00 0.00 ATOM 58 O ARG 13 -12.006 3.753 0.597 1.00 0.00 ATOM 59 C ARG 13 -11.711 2.556 0.662 1.00 0.00 ATOM 60 N VAL 14 -10.804 1.995 -0.126 1.00 0.00 ATOM 61 CA VAL 14 -10.099 2.750 -1.143 1.00 0.00 ATOM 62 CB VAL 14 -8.606 2.373 -1.192 1.00 0.00 ATOM 63 CG1 VAL 14 -7.916 3.081 -2.349 1.00 0.00 ATOM 64 CG2 VAL 14 -7.914 2.777 0.101 1.00 0.00 ATOM 65 O VAL 14 -10.854 3.373 -3.345 1.00 0.00 ATOM 66 C VAL 14 -10.709 2.469 -2.521 1.00 0.00 ATOM 67 N ALA 15 -11.043 1.202 -2.756 1.00 0.00 ATOM 68 CA ALA 15 -11.671 0.741 -3.997 1.00 0.00 ATOM 69 CB ALA 15 -10.617 0.217 -4.961 1.00 0.00 ATOM 70 O ALA 15 -12.476 -0.846 -2.412 1.00 0.00 ATOM 71 C ALA 15 -12.609 -0.353 -3.532 1.00 0.00 ATOM 72 N PRO 16 -13.561 -0.759 -4.379 1.00 0.00 ATOM 73 CA PRO 16 -14.456 -1.826 -3.920 1.00 0.00 ATOM 74 CB PRO 16 -15.336 -2.119 -5.137 1.00 0.00 ATOM 75 CG PRO 16 -15.323 -0.850 -5.921 1.00 0.00 ATOM 76 CD PRO 16 -13.938 -0.286 -5.779 1.00 0.00 ATOM 77 O PRO 16 -12.642 -3.390 -4.210 1.00 0.00 ATOM 78 C PRO 16 -13.596 -3.028 -3.510 1.00 0.00 ATOM 79 N ALA 17 -13.905 -3.624 -2.367 1.00 0.00 ATOM 80 CA ALA 17 -13.132 -4.769 -1.905 1.00 0.00 ATOM 81 CB ALA 17 -13.062 -5.834 -2.988 1.00 0.00 ATOM 82 O ALA 17 -10.880 -5.447 -1.410 1.00 0.00 ATOM 83 C ALA 17 -11.679 -4.500 -1.513 1.00 0.00 ATOM 84 N LEU 18 -11.314 -3.235 -1.288 1.00 0.00 ATOM 85 CA LEU 18 -9.943 -2.911 -0.889 1.00 0.00 ATOM 86 CB LEU 18 -9.136 -2.420 -2.092 1.00 0.00 ATOM 87 CG LEU 18 -8.899 -3.438 -3.209 1.00 0.00 ATOM 88 CD1 LEU 18 -8.245 -2.774 -4.411 1.00 0.00 ATOM 89 CD2 LEU 18 -7.987 -4.557 -2.731 1.00 0.00 ATOM 90 O LEU 18 -10.293 -0.674 -0.068 1.00 0.00 ATOM 91 C LEU 18 -9.888 -1.816 0.175 1.00 0.00 ATOM 92 N PHE 19 -9.385 -2.182 1.350 1.00 0.00 ATOM 93 CA PHE 19 -9.259 -1.263 2.474 1.00 0.00 ATOM 94 CB PHE 19 -10.076 -1.764 3.668 1.00 0.00 ATOM 95 CG PHE 19 -11.553 -1.828 3.407 1.00 0.00 ATOM 96 CD1 PHE 19 -12.142 -3.001 2.968 1.00 0.00 ATOM 97 CD2 PHE 19 -12.355 -0.717 3.599 1.00 0.00 ATOM 98 CE1 PHE 19 -13.501 -3.061 2.728 1.00 0.00 ATOM 99 CE2 PHE 19 -13.715 -0.777 3.359 1.00 0.00 ATOM 100 CZ PHE 19 -14.289 -1.943 2.925 1.00 0.00 ATOM 101 O PHE 19 -6.953 -1.937 2.707 1.00 0.00 ATOM 102 C PHE 19 -7.830 -1.095 2.955 1.00 0.00 ATOM 103 N ILE 20 -7.604 0.003 3.665 1.00 0.00 ATOM 104 CA ILE 20 -6.315 0.265 4.268 1.00 0.00 ATOM 105 CB ILE 20 -5.578 1.413 3.552 1.00 0.00 ATOM 106 CG1 ILE 20 -5.320 1.048 2.089 1.00 0.00 ATOM 107 CG2 ILE 20 -4.242 1.688 4.224 1.00 0.00 ATOM 108 CD1 ILE 20 -4.806 2.202 1.254 1.00 0.00 ATOM 109 O ILE 20 -7.596 1.330 5.990 1.00 0.00 ATOM 110 C ILE 20 -6.609 0.642 5.712 1.00 0.00 ATOM 111 N GLY 21 -5.775 0.171 6.629 1.00 0.00 ATOM 112 CA GLY 21 -5.969 0.478 8.031 1.00 0.00 ATOM 113 O GLY 21 -3.598 0.157 8.230 1.00 0.00 ATOM 114 C GLY 21 -4.677 0.354 8.809 1.00 0.00 ATOM 115 N ASN 22 -4.772 0.492 10.126 1.00 0.00 ATOM 116 CA ASN 22 -3.594 0.356 10.962 1.00 0.00 ATOM 117 CB ASN 22 -3.578 1.437 12.045 1.00 0.00 ATOM 118 CG ASN 22 -4.699 1.271 13.053 1.00 0.00 ATOM 119 ND2 ASN 22 -4.875 2.269 13.911 1.00 0.00 ATOM 120 OD1 ASN 22 -5.397 0.257 13.055 1.00 0.00 ATOM 121 O ASN 22 -4.570 -1.796 11.406 1.00 0.00 ATOM 122 C ASN 22 -3.624 -1.019 11.619 1.00 0.00 ATOM 123 N ALA 23 -2.592 -1.334 12.399 1.00 0.00 ATOM 124 CA ALA 23 -2.505 -2.646 13.033 1.00 0.00 ATOM 125 CB ALA 23 -1.253 -2.736 13.892 1.00 0.00 ATOM 126 O ALA 23 -4.102 -4.076 14.079 1.00 0.00 ATOM 127 C ALA 23 -3.695 -2.928 13.924 1.00 0.00 ATOM 128 N ARG 24 -4.267 -1.890 14.517 1.00 0.00 ATOM 129 CA ARG 24 -5.423 -2.107 15.372 1.00 0.00 ATOM 130 CB ARG 24 -5.755 -0.834 16.155 1.00 0.00 ATOM 131 CG ARG 24 -4.750 -0.495 17.243 1.00 0.00 ATOM 132 CD ARG 24 -5.114 0.802 17.945 1.00 0.00 ATOM 133 NE ARG 24 -4.143 1.157 18.978 1.00 0.00 ATOM 134 CZ ARG 24 -4.214 2.253 19.727 1.00 0.00 ATOM 135 NH1 ARG 24 -3.284 2.493 20.640 1.00 0.00 ATOM 136 NH2 ARG 24 -5.215 3.106 19.559 1.00 0.00 ATOM 137 O ARG 24 -7.358 -3.444 14.874 1.00 0.00 ATOM 138 C ARG 24 -6.646 -2.491 14.542 1.00 0.00 ATOM 139 N ALA 25 -6.902 -1.749 13.465 1.00 0.00 ATOM 140 CA ALA 25 -8.048 -2.057 12.611 1.00 0.00 ATOM 141 CB ALA 25 -8.070 -1.135 11.402 1.00 0.00 ATOM 142 O ALA 25 -8.957 -4.200 11.962 1.00 0.00 ATOM 143 C ALA 25 -7.951 -3.513 12.127 1.00 0.00 ATOM 144 N ALA 26 -6.725 -3.983 11.925 1.00 0.00 ATOM 145 CA ALA 26 -6.496 -5.339 11.449 1.00 0.00 ATOM 146 CB ALA 26 -5.015 -5.564 11.182 1.00 0.00 ATOM 147 O ALA 26 -7.067 -7.591 12.063 1.00 0.00 ATOM 148 C ALA 26 -6.934 -6.425 12.437 1.00 0.00 ATOM 149 N GLY 27 -7.155 -6.044 13.690 1.00 0.00 ATOM 150 CA GLY 27 -7.588 -6.998 14.711 1.00 0.00 ATOM 151 O GLY 27 -9.656 -7.537 15.814 1.00 0.00 ATOM 152 C GLY 27 -9.063 -6.775 15.048 1.00 0.00 ATOM 153 N ALA 28 -9.647 -5.726 14.476 1.00 0.00 ATOM 154 CA ALA 28 -11.046 -5.383 14.735 1.00 0.00 ATOM 155 CB ALA 28 -11.357 -3.992 14.202 1.00 0.00 ATOM 156 O ALA 28 -12.408 -6.169 12.922 1.00 0.00 ATOM 157 C ALA 28 -12.014 -6.355 14.072 1.00 0.00 ATOM 158 N THR 29 -12.410 -7.384 14.813 1.00 0.00 ATOM 159 CA THR 29 -13.320 -8.406 14.305 1.00 0.00 ATOM 160 CB THR 29 -13.719 -9.407 15.406 1.00 0.00 ATOM 161 CG2 THR 29 -14.685 -10.444 14.858 1.00 0.00 ATOM 162 OG1 THR 29 -12.548 -10.075 15.894 1.00 0.00 ATOM 163 O THR 29 -15.087 -8.292 12.685 1.00 0.00 ATOM 164 C THR 29 -14.633 -7.863 13.743 1.00 0.00 ATOM 165 N GLU 30 -15.248 -6.922 14.450 1.00 0.00 ATOM 166 CA GLU 30 -16.515 -6.353 14.005 1.00 0.00 ATOM 167 CB GLU 30 -17.113 -5.462 15.095 1.00 0.00 ATOM 168 CG GLU 30 -17.618 -6.223 16.311 1.00 0.00 ATOM 169 CD GLU 30 -18.090 -5.302 17.419 1.00 0.00 ATOM 170 OE1 GLU 30 -17.956 -4.070 17.267 1.00 0.00 ATOM 171 OE2 GLU 30 -18.595 -5.813 18.441 1.00 0.00 ATOM 172 O GLU 30 -17.101 -5.571 11.808 1.00 0.00 ATOM 173 C GLU 30 -16.312 -5.510 12.753 1.00 0.00 ATOM 174 N LEU 31 -15.243 -4.725 12.760 1.00 0.00 ATOM 175 CA LEU 31 -14.901 -3.873 11.634 1.00 0.00 ATOM 176 CB LEU 31 -13.693 -2.997 11.972 1.00 0.00 ATOM 177 CG LEU 31 -13.922 -1.897 13.011 1.00 0.00 ATOM 178 CD1 LEU 31 -12.607 -1.229 13.383 1.00 0.00 ATOM 179 CD2 LEU 31 -14.860 -0.832 12.468 1.00 0.00 ATOM 180 O LEU 31 -14.924 -4.475 9.305 1.00 0.00 ATOM 181 C LEU 31 -14.568 -4.773 10.440 1.00 0.00 ATOM 182 N LEU 32 -13.896 -5.888 10.707 1.00 0.00 ATOM 183 CA LEU 32 -13.544 -6.823 9.643 1.00 0.00 ATOM 184 CB LEU 32 -12.586 -7.895 10.167 1.00 0.00 ATOM 185 CG LEU 32 -11.176 -7.425 10.530 1.00 0.00 ATOM 186 CD1 LEU 32 -10.393 -8.544 11.200 1.00 0.00 ATOM 187 CD2 LEU 32 -10.416 -6.993 9.286 1.00 0.00 ATOM 188 O LEU 32 -14.943 -7.721 7.902 1.00 0.00 ATOM 189 C LEU 32 -14.801 -7.507 9.112 1.00 0.00 ATOM 190 N VAL 33 -15.713 -7.847 10.021 1.00 0.00 ATOM 191 CA VAL 33 -16.969 -8.501 9.653 1.00 0.00 ATOM 192 CB VAL 33 -17.783 -8.904 10.897 1.00 0.00 ATOM 193 CG1 VAL 33 -19.161 -9.409 10.492 1.00 0.00 ATOM 194 CG2 VAL 33 -17.072 -10.008 11.665 1.00 0.00 ATOM 195 O VAL 33 -18.319 -7.939 7.751 1.00 0.00 ATOM 196 C VAL 33 -17.827 -7.564 8.812 1.00 0.00 ATOM 197 N ARG 34 -18.000 -6.344 9.305 1.00 0.00 ATOM 198 CA ARG 34 -18.798 -5.338 8.615 1.00 0.00 ATOM 199 CB ARG 34 -18.742 -4.004 9.365 1.00 0.00 ATOM 200 CG ARG 34 -19.497 -4.002 10.685 1.00 0.00 ATOM 201 CD ARG 34 -19.339 -2.675 11.407 1.00 0.00 ATOM 202 NE ARG 34 -20.036 -2.665 12.691 1.00 0.00 ATOM 203 CZ ARG 34 -19.998 -1.655 13.555 1.00 0.00 ATOM 204 NH1 ARG 34 -20.665 -1.735 14.699 1.00 0.00 ATOM 205 NH2 ARG 34 -19.294 -0.568 13.272 1.00 0.00 ATOM 206 O ARG 34 -19.073 -4.996 6.253 1.00 0.00 ATOM 207 C ARG 34 -18.289 -5.102 7.195 1.00 0.00 ATOM 208 N ALA 35 -16.974 -5.025 7.046 1.00 0.00 ATOM 209 CA ALA 35 -16.364 -4.791 5.742 1.00 0.00 ATOM 210 CB ALA 35 -15.015 -4.108 5.901 1.00 0.00 ATOM 211 O ALA 35 -15.560 -6.036 3.857 1.00 0.00 ATOM 212 C ALA 35 -16.126 -6.075 4.949 1.00 0.00 ATOM 213 N GLY 36 -16.557 -7.206 5.498 1.00 0.00 ATOM 214 CA GLY 36 -16.390 -8.503 4.840 1.00 0.00 ATOM 215 O GLY 36 -14.713 -9.296 3.302 1.00 0.00 ATOM 216 C GLY 36 -14.949 -8.777 4.392 1.00 0.00 ATOM 217 N ILE 37 -14.000 -8.430 5.246 1.00 0.00 ATOM 218 CA ILE 37 -12.588 -8.638 4.960 1.00 0.00 ATOM 219 CB ILE 37 -11.696 -7.772 5.867 1.00 0.00 ATOM 220 CG1 ILE 37 -11.967 -6.287 5.621 1.00 0.00 ATOM 221 CG2 ILE 37 -10.226 -8.045 5.588 1.00 0.00 ATOM 222 CD1 ILE 37 -11.306 -5.370 6.628 1.00 0.00 ATOM 223 O ILE 37 -12.353 -10.614 6.302 1.00 0.00 ATOM 224 C ILE 37 -12.233 -10.105 5.192 1.00 0.00 ATOM 225 N THR 38 -11.811 -10.784 4.135 1.00 0.00 ATOM 226 CA THR 38 -11.437 -12.194 4.237 1.00 0.00 ATOM 227 CB THR 38 -12.289 -13.074 3.304 1.00 0.00 ATOM 228 CG2 THR 38 -13.761 -12.967 3.669 1.00 0.00 ATOM 229 OG1 THR 38 -12.115 -12.643 1.948 1.00 0.00 ATOM 230 O THR 38 -9.422 -13.484 3.932 1.00 0.00 ATOM 231 C THR 38 -9.966 -12.380 3.853 1.00 0.00 ATOM 232 N LEU 39 -9.343 -11.289 3.427 1.00 0.00 ATOM 233 CA LEU 39 -7.943 -11.299 3.015 1.00 0.00 ATOM 234 CB LEU 39 -7.828 -11.154 1.497 1.00 0.00 ATOM 235 CG LEU 39 -6.411 -11.086 0.927 1.00 0.00 ATOM 236 CD1 LEU 39 -5.709 -12.429 1.068 1.00 0.00 ATOM 237 CD2 LEU 39 -6.442 -10.720 -0.549 1.00 0.00 ATOM 238 O LEU 39 -7.744 -9.022 3.707 1.00 0.00 ATOM 239 C LEU 39 -7.232 -10.140 3.685 1.00 0.00 ATOM 240 N CYS 40 -6.051 -10.397 4.222 1.00 0.00 ATOM 241 CA CYS 40 -5.296 -9.328 4.850 1.00 0.00 ATOM 242 CB CYS 40 -5.312 -9.483 6.373 1.00 0.00 ATOM 243 SG CYS 40 -6.956 -9.370 7.118 1.00 0.00 ATOM 244 O CYS 40 -3.195 -10.392 4.441 1.00 0.00 ATOM 245 C CYS 40 -3.860 -9.353 4.381 1.00 0.00 ATOM 246 N VAL 41 -3.400 -8.216 3.875 1.00 0.00 ATOM 247 CA VAL 41 -2.018 -8.103 3.450 1.00 0.00 ATOM 248 CB VAL 41 -1.904 -7.425 2.073 1.00 0.00 ATOM 249 CG1 VAL 41 -0.447 -7.311 1.655 1.00 0.00 ATOM 250 CG2 VAL 41 -2.646 -8.232 1.018 1.00 0.00 ATOM 251 O VAL 41 -1.590 -6.045 4.614 1.00 0.00 ATOM 252 C VAL 41 -1.377 -7.258 4.541 1.00 0.00 ATOM 253 N ASN 42 -0.618 -7.923 5.405 1.00 0.00 ATOM 254 CA ASN 42 0.076 -7.275 6.506 1.00 0.00 ATOM 255 CB ASN 42 0.109 -8.190 7.731 1.00 0.00 ATOM 256 CG ASN 42 0.748 -7.529 8.936 1.00 0.00 ATOM 257 ND2 ASN 42 0.440 -8.039 10.122 1.00 0.00 ATOM 258 OD1 ASN 42 1.509 -6.570 8.800 1.00 0.00 ATOM 259 O ASN 42 2.299 -7.863 5.809 1.00 0.00 ATOM 260 C ASN 42 1.501 -6.958 6.087 1.00 0.00 ATOM 261 N VAL 43 1.826 -5.674 6.058 1.00 0.00 ATOM 262 CA VAL 43 3.158 -5.258 5.665 1.00 0.00 ATOM 263 CB VAL 43 3.133 -4.448 4.354 1.00 0.00 ATOM 264 CG1 VAL 43 4.548 -4.093 3.922 1.00 0.00 ATOM 265 CG2 VAL 43 2.480 -5.256 3.243 1.00 0.00 ATOM 266 O VAL 43 3.645 -3.161 6.751 1.00 0.00 ATOM 267 C VAL 43 3.800 -4.382 6.731 1.00 0.00 ATOM 268 N SER 44 4.502 -5.046 7.639 1.00 0.00 ATOM 269 CA SER 44 5.218 -4.396 8.719 1.00 0.00 ATOM 270 CB SER 44 4.251 -3.977 9.829 1.00 0.00 ATOM 271 OG SER 44 3.688 -5.109 10.468 1.00 0.00 ATOM 272 O SER 44 6.238 -6.568 8.843 1.00 0.00 ATOM 273 C SER 44 6.229 -5.407 9.255 1.00 0.00 ATOM 274 N ARG 45 7.075 -4.963 10.173 1.00 0.00 ATOM 275 CA ARG 45 8.124 -5.806 10.735 1.00 0.00 ATOM 276 CB ARG 45 8.823 -5.092 11.894 1.00 0.00 ATOM 277 CG ARG 45 9.984 -5.869 12.492 1.00 0.00 ATOM 278 CD ARG 45 10.606 -5.120 13.658 1.00 0.00 ATOM 279 NE ARG 45 9.690 -5.011 14.791 1.00 0.00 ATOM 280 CZ ARG 45 9.831 -4.140 15.785 1.00 0.00 ATOM 281 NH1 ARG 45 8.948 -4.113 16.773 1.00 0.00 ATOM 282 NH2 ARG 45 10.854 -3.297 15.787 1.00 0.00 ATOM 283 O ARG 45 8.345 -8.176 11.021 1.00 0.00 ATOM 284 C ARG 45 7.708 -7.163 11.309 1.00 0.00 ATOM 285 N GLN 46 6.646 -7.190 12.106 1.00 0.00 ATOM 286 CA GLN 46 6.199 -8.435 12.726 1.00 0.00 ATOM 287 CB GLN 46 5.758 -8.188 14.169 1.00 0.00 ATOM 288 CG GLN 46 6.839 -7.591 15.056 1.00 0.00 ATOM 289 CD GLN 46 8.025 -8.519 15.232 1.00 0.00 ATOM 290 OE1 GLN 46 7.860 -9.721 15.443 1.00 0.00 ATOM 291 NE2 GLN 46 9.227 -7.962 15.146 1.00 0.00 ATOM 292 O GLN 46 4.259 -9.849 12.669 1.00 0.00 ATOM 293 C GLN 46 5.018 -9.113 12.033 1.00 0.00 ATOM 294 N GLN 47 4.877 -8.888 10.730 1.00 0.00 ATOM 295 CA GLN 47 3.771 -9.456 9.963 1.00 0.00 ATOM 296 CB GLN 47 3.853 -9.019 8.500 1.00 0.00 ATOM 297 CG GLN 47 3.680 -7.525 8.287 1.00 0.00 ATOM 298 CD GLN 47 2.318 -7.028 8.728 1.00 0.00 ATOM 299 OE1 GLN 47 1.291 -7.612 8.382 1.00 0.00 ATOM 300 NE2 GLN 47 2.305 -5.944 9.495 1.00 0.00 ATOM 301 O GLN 47 4.662 -11.649 9.534 1.00 0.00 ATOM 302 C GLN 47 3.710 -10.983 9.944 1.00 0.00 ATOM 303 N PRO 48 2.578 -11.528 10.387 1.00 0.00 ATOM 304 CA PRO 48 2.363 -12.973 10.402 1.00 0.00 ATOM 305 CB PRO 48 3.177 -13.456 11.605 1.00 0.00 ATOM 306 CG PRO 48 4.236 -12.421 11.780 1.00 0.00 ATOM 307 CD PRO 48 3.593 -11.105 11.443 1.00 0.00 ATOM 308 O PRO 48 0.140 -12.425 11.122 1.00 0.00 ATOM 309 C PRO 48 0.868 -13.246 10.562 1.00 0.00 ATOM 310 N PRO 50 0.385 -14.395 10.055 1.00 0.00 ATOM 311 CA PRO 50 -1.036 -14.757 10.152 1.00 0.00 ATOM 312 CB PRO 50 -1.089 -16.196 9.636 1.00 0.00 ATOM 313 CG PRO 50 0.077 -16.305 8.712 1.00 0.00 ATOM 314 CD PRO 50 1.182 -15.500 9.337 1.00 0.00 ATOM 315 O PRO 50 -0.857 -15.121 12.509 1.00 0.00 ATOM 316 C PRO 50 -1.526 -14.661 11.588 1.00 0.00 ATOM 317 N ARG 51 -2.696 -14.064 11.777 1.00 0.00 ATOM 318 CA ARG 51 -3.235 -13.894 13.119 1.00 0.00 ATOM 319 CB ARG 51 -3.372 -12.409 13.458 1.00 0.00 ATOM 320 CG ARG 51 -2.048 -11.673 13.581 1.00 0.00 ATOM 321 CD ARG 51 -2.261 -10.199 13.879 1.00 0.00 ATOM 322 NE ARG 51 -0.996 -9.481 14.022 1.00 0.00 ATOM 323 CZ ARG 51 -0.900 -8.177 14.260 1.00 0.00 ATOM 324 NH1 ARG 51 0.294 -7.610 14.374 1.00 0.00 ATOM 325 NH2 ARG 51 -1.996 -7.443 14.382 1.00 0.00 ATOM 326 O ARG 51 -4.771 -15.461 14.095 1.00 0.00 ATOM 327 C ARG 51 -4.608 -14.511 13.327 1.00 0.00 ATOM 328 N ALA 52 -5.593 -13.971 12.624 1.00 0.00 ATOM 329 CA ALA 52 -6.967 -14.409 12.784 1.00 0.00 ATOM 330 CB ALA 52 -7.925 -13.269 12.476 1.00 0.00 ATOM 331 O ALA 52 -6.877 -15.845 10.861 1.00 0.00 ATOM 332 C ALA 52 -7.441 -15.555 11.917 1.00 0.00 ATOM 333 N PRO 53 -8.514 -16.184 12.388 1.00 0.00 ATOM 334 CA PRO 53 -9.162 -17.272 11.681 1.00 0.00 ATOM 335 CB PRO 53 -9.940 -18.011 12.771 1.00 0.00 ATOM 336 CG PRO 53 -10.301 -16.950 13.756 1.00 0.00 ATOM 337 CD PRO 53 -9.131 -16.009 13.803 1.00 0.00 ATOM 338 O PRO 53 -10.452 -15.489 10.725 1.00 0.00 ATOM 339 C PRO 53 -10.065 -16.657 10.622 1.00 0.00 ATOM 340 N GLY 54 -10.393 -17.440 9.601 1.00 0.00 ATOM 341 CA GLY 54 -11.257 -16.960 8.542 1.00 0.00 ATOM 342 O GLY 54 -11.285 -15.302 6.828 1.00 0.00 ATOM 343 C GLY 54 -10.606 -15.944 7.624 1.00 0.00 ATOM 344 N VAL 55 -9.291 -15.806 7.715 1.00 0.00 ATOM 345 CA VAL 55 -8.594 -14.827 6.891 1.00 0.00 ATOM 346 CB VAL 55 -8.106 -13.630 7.729 1.00 0.00 ATOM 347 CG1 VAL 55 -7.351 -12.640 6.854 1.00 0.00 ATOM 348 CG2 VAL 55 -9.284 -12.909 8.366 1.00 0.00 ATOM 349 O VAL 55 -6.502 -15.961 6.793 1.00 0.00 ATOM 350 C VAL 55 -7.358 -15.347 6.174 1.00 0.00 ATOM 351 N ALA 56 -7.280 -15.093 4.870 1.00 0.00 ATOM 352 CA ALA 56 -6.108 -15.495 4.093 1.00 0.00 ATOM 353 CB ALA 56 -6.486 -15.713 2.636 1.00 0.00 ATOM 354 O ALA 56 -5.459 -13.202 3.944 1.00 0.00 ATOM 355 C ALA 56 -5.126 -14.355 4.236 1.00 0.00 ATOM 356 N GLU 57 -3.918 -14.677 4.683 1.00 0.00 ATOM 357 CA GLU 57 -2.892 -13.670 4.875 1.00 0.00 ATOM 358 CB GLU 57 -2.224 -13.841 6.242 1.00 0.00 ATOM 359 CG GLU 57 -3.168 -13.665 7.420 1.00 0.00 ATOM 360 CD GLU 57 -3.606 -12.224 7.604 1.00 0.00 ATOM 361 OE1 GLU 57 -3.021 -11.337 6.950 1.00 0.00 ATOM 362 OE2 GLU 57 -4.534 -11.985 8.404 1.00 0.00 ATOM 363 O GLU 57 -1.391 -14.712 3.307 1.00 0.00 ATOM 364 C GLU 57 -1.761 -13.676 3.867 1.00 0.00 ATOM 365 N LEU 58 -1.223 -12.484 3.660 1.00 0.00 ATOM 366 CA LEU 58 -0.035 -12.270 2.850 1.00 0.00 ATOM 367 CB LEU 58 -0.407 -11.636 1.509 1.00 0.00 ATOM 368 CG LEU 58 0.752 -11.335 0.557 1.00 0.00 ATOM 369 CD1 LEU 58 1.463 -12.617 0.154 1.00 0.00 ATOM 370 CD2 LEU 58 0.248 -10.654 -0.706 1.00 0.00 ATOM 371 O LEU 58 0.291 -10.213 4.067 1.00 0.00 ATOM 372 C LEU 58 0.719 -11.341 3.796 1.00 0.00 ATOM 373 N ARG 59 1.819 -11.832 4.338 1.00 0.00 ATOM 374 CA ARG 59 2.601 -11.057 5.272 1.00 0.00 ATOM 375 CB ARG 59 2.856 -11.857 6.551 1.00 0.00 ATOM 376 CG ARG 59 1.618 -12.077 7.404 1.00 0.00 ATOM 377 CD ARG 59 1.113 -10.770 7.992 1.00 0.00 ATOM 378 NE ARG 59 0.012 -10.980 8.929 1.00 0.00 ATOM 379 CZ ARG 59 -1.271 -11.016 8.579 1.00 0.00 ATOM 380 NH1 ARG 59 -2.203 -11.212 9.501 1.00 0.00 ATOM 381 NH2 ARG 59 -1.617 -10.853 7.310 1.00 0.00 ATOM 382 O ARG 59 4.649 -11.576 4.164 1.00 0.00 ATOM 383 C ARG 59 3.927 -10.700 4.639 1.00 0.00 ATOM 384 N VAL 60 4.231 -9.410 4.624 1.00 0.00 ATOM 385 CA VAL 60 5.479 -8.937 4.055 1.00 0.00 ATOM 386 CB VAL 60 5.234 -7.990 2.867 1.00 0.00 ATOM 387 CG1 VAL 60 6.556 -7.500 2.295 1.00 0.00 ATOM 388 CG2 VAL 60 4.470 -8.706 1.763 1.00 0.00 ATOM 389 O VAL 60 5.972 -7.029 5.417 1.00 0.00 ATOM 390 C VAL 60 6.270 -8.184 5.107 1.00 0.00 ATOM 391 N PRO 61 7.277 -8.847 5.695 1.00 0.00 ATOM 392 CA PRO 61 8.125 -8.244 6.722 1.00 0.00 ATOM 393 CB PRO 61 8.989 -9.406 7.217 1.00 0.00 ATOM 394 CG PRO 61 9.061 -10.340 6.056 1.00 0.00 ATOM 395 CD PRO 61 7.738 -10.231 5.351 1.00 0.00 ATOM 396 O PRO 61 9.919 -7.414 5.362 1.00 0.00 ATOM 397 C PRO 61 8.939 -7.143 6.056 1.00 0.00 ATOM 398 N VAL 62 8.511 -5.904 6.245 1.00 0.00 ATOM 399 CA VAL 62 9.209 -4.777 5.653 1.00 0.00 ATOM 400 CB VAL 62 8.538 -4.321 4.344 1.00 0.00 ATOM 401 CG1 VAL 62 8.598 -5.428 3.301 1.00 0.00 ATOM 402 CG2 VAL 62 7.078 -3.971 4.587 1.00 0.00 ATOM 403 O VAL 62 8.252 -3.452 7.403 1.00 0.00 ATOM 404 C VAL 62 9.197 -3.620 6.633 1.00 0.00 ATOM 405 N PHE 63 10.266 -2.832 6.614 1.00 0.00 ATOM 406 CA PHE 63 10.373 -1.686 7.498 1.00 0.00 ATOM 407 CB PHE 63 11.817 -1.506 7.971 1.00 0.00 ATOM 408 CG PHE 63 12.309 -2.619 8.853 1.00 0.00 ATOM 409 CD1 PHE 63 13.062 -3.655 8.328 1.00 0.00 ATOM 410 CD2 PHE 63 12.019 -2.629 10.206 1.00 0.00 ATOM 411 CE1 PHE 63 13.515 -4.679 9.139 1.00 0.00 ATOM 412 CE2 PHE 63 12.471 -3.652 11.016 1.00 0.00 ATOM 413 CZ PHE 63 13.217 -4.675 10.489 1.00 0.00 ATOM 414 O PHE 63 9.953 -0.418 5.512 1.00 0.00 ATOM 415 C PHE 63 9.932 -0.445 6.740 1.00 0.00 ATOM 416 N ASP 64 9.507 0.578 7.467 1.00 0.00 ATOM 417 CA ASP 64 9.103 1.804 6.805 1.00 0.00 ATOM 418 CB ASP 64 7.978 2.489 7.583 1.00 0.00 ATOM 419 CG ASP 64 7.374 3.656 6.828 1.00 0.00 ATOM 420 OD1 ASP 64 7.745 3.860 5.654 1.00 0.00 ATOM 421 OD2 ASP 64 6.528 4.366 7.412 1.00 0.00 ATOM 422 O ASP 64 10.400 3.701 7.478 1.00 0.00 ATOM 423 C ASP 64 10.308 2.727 6.736 1.00 0.00 ATOM 424 N ASP 65 11.228 2.395 5.839 1.00 0.00 ATOM 425 CA ASP 65 12.451 3.158 5.643 1.00 0.00 ATOM 426 CB ASP 65 13.646 2.419 6.249 1.00 0.00 ATOM 427 CG ASP 65 13.560 2.312 7.760 1.00 0.00 ATOM 428 OD1 ASP 65 13.540 3.366 8.429 1.00 0.00 ATOM 429 OD2 ASP 65 13.513 1.174 8.272 1.00 0.00 ATOM 430 O ASP 65 12.382 2.441 3.360 1.00 0.00 ATOM 431 C ASP 65 12.671 3.340 4.150 1.00 0.00 ATOM 432 N PRO 66 13.183 4.510 3.741 1.00 0.00 ATOM 433 CA PRO 66 13.422 4.752 2.317 1.00 0.00 ATOM 434 CB PRO 66 14.006 6.165 2.275 1.00 0.00 ATOM 435 CG PRO 66 14.628 6.352 3.618 1.00 0.00 ATOM 436 CD PRO 66 13.743 5.626 4.592 1.00 0.00 ATOM 437 O PRO 66 14.542 3.605 0.532 1.00 0.00 ATOM 438 C PRO 66 14.393 3.729 1.749 1.00 0.00 ATOM 439 N ALA 67 15.045 2.992 2.643 1.00 0.00 ATOM 440 CA ALA 67 16.000 1.964 2.246 1.00 0.00 ATOM 441 CB ALA 67 17.030 1.745 3.343 1.00 0.00 ATOM 442 O ALA 67 15.760 -0.224 1.278 1.00 0.00 ATOM 443 C ALA 67 15.265 0.651 1.990 1.00 0.00 ATOM 444 N GLU 68 14.083 0.514 2.584 1.00 0.00 ATOM 445 CA GLU 68 13.281 -0.693 2.420 1.00 0.00 ATOM 446 CB GLU 68 12.084 -0.674 3.372 1.00 0.00 ATOM 447 CG GLU 68 11.244 -1.941 3.338 1.00 0.00 ATOM 448 CD GLU 68 12.025 -3.170 3.759 1.00 0.00 ATOM 449 OE1 GLU 68 12.642 -3.138 4.845 1.00 0.00 ATOM 450 OE2 GLU 68 12.020 -4.165 3.005 1.00 0.00 ATOM 451 O GLU 68 12.042 0.055 0.500 1.00 0.00 ATOM 452 C GLU 68 12.743 -0.827 1.000 1.00 0.00 ATOM 453 N ASP 69 13.077 -1.937 0.356 1.00 0.00 ATOM 454 CA ASP 69 12.616 -2.196 -0.996 1.00 0.00 ATOM 455 CB ASP 69 13.543 -3.191 -1.696 1.00 0.00 ATOM 456 CG ASP 69 13.229 -3.342 -3.171 1.00 0.00 ATOM 457 OD1 ASP 69 12.043 -3.550 -3.507 1.00 0.00 ATOM 458 OD2 ASP 69 14.166 -3.253 -3.992 1.00 0.00 ATOM 459 O ASP 69 10.994 -3.853 -0.381 1.00 0.00 ATOM 460 C ASP 69 11.206 -2.780 -0.945 1.00 0.00 ATOM 461 N LEU 70 10.245 -2.066 -1.526 1.00 0.00 ATOM 462 CA LEU 70 8.865 -2.536 -1.562 1.00 0.00 ATOM 463 CB LEU 70 7.915 -1.447 -1.058 1.00 0.00 ATOM 464 CG LEU 70 8.147 -0.953 0.372 1.00 0.00 ATOM 465 CD1 LEU 70 7.191 0.181 0.710 1.00 0.00 ATOM 466 CD2 LEU 70 7.924 -2.077 1.371 1.00 0.00 ATOM 467 O LEU 70 7.545 -3.711 -3.164 1.00 0.00 ATOM 468 C LEU 70 8.455 -2.907 -2.973 1.00 0.00 ATOM 469 N LEU 71 9.130 -2.321 -3.961 1.00 0.00 ATOM 470 CA LEU 71 8.831 -2.593 -5.363 1.00 0.00 ATOM 471 CB LEU 71 9.837 -1.884 -6.272 1.00 0.00 ATOM 472 CG LEU 71 9.735 -0.359 -6.336 1.00 0.00 ATOM 473 CD1 LEU 71 10.890 0.223 -7.137 1.00 0.00 ATOM 474 CD2 LEU 71 8.434 0.066 -7.000 1.00 0.00 ATOM 475 O LEU 71 8.120 -4.613 -6.442 1.00 0.00 ATOM 476 C LEU 71 8.898 -4.089 -5.649 1.00 0.00 ATOM 477 N THR 72 9.825 -4.778 -4.995 1.00 0.00 ATOM 478 CA THR 72 9.975 -6.216 -5.197 1.00 0.00 ATOM 479 CB THR 72 11.202 -6.766 -4.448 1.00 0.00 ATOM 480 CG2 THR 72 12.472 -6.081 -4.928 1.00 0.00 ATOM 481 OG1 THR 72 11.052 -6.531 -3.042 1.00 0.00 ATOM 482 O THR 72 8.544 -8.146 -5.049 1.00 0.00 ATOM 483 C THR 72 8.749 -6.983 -4.695 1.00 0.00 ATOM 484 N HIS 73 7.935 -6.331 -3.870 1.00 0.00 ATOM 485 CA HIS 73 6.741 -6.967 -3.328 1.00 0.00 ATOM 486 CB HIS 73 6.583 -6.632 -1.844 1.00 0.00 ATOM 487 CG HIS 73 7.690 -7.156 -0.985 1.00 0.00 ATOM 488 CD2 HIS 73 8.769 -6.565 -0.207 1.00 0.00 ATOM 489 ND1 HIS 73 7.886 -8.501 -0.763 1.00 0.00 ATOM 490 CE1 HIS 73 8.951 -8.662 0.044 1.00 0.00 ATOM 491 NE2 HIS 73 9.486 -7.504 0.381 1.00 0.00 ATOM 492 O HIS 73 4.362 -6.912 -3.686 1.00 0.00 ATOM 493 C HIS 73 5.475 -6.506 -4.046 1.00 0.00 ATOM 494 N LEU 74 5.643 -5.662 -5.060 1.00 0.00 ATOM 495 CA LEU 74 4.507 -5.146 -5.811 1.00 0.00 ATOM 496 CB LEU 74 4.976 -4.156 -6.879 1.00 0.00 ATOM 497 CG LEU 74 5.508 -2.814 -6.373 1.00 0.00 ATOM 498 CD1 LEU 74 6.114 -2.010 -7.514 1.00 0.00 ATOM 499 CD2 LEU 74 4.389 -1.991 -5.754 1.00 0.00 ATOM 500 O LEU 74 2.517 -6.355 -6.383 1.00 0.00 ATOM 501 C LEU 74 3.737 -6.250 -6.514 1.00 0.00 ATOM 502 N GLU 75 4.456 -7.084 -7.253 1.00 0.00 ATOM 503 CA GLU 75 3.818 -8.154 -7.998 1.00 0.00 ATOM 504 CB GLU 75 4.867 -9.010 -8.711 1.00 0.00 ATOM 505 CG GLU 75 4.285 -10.132 -9.555 1.00 0.00 ATOM 506 CD GLU 75 5.350 -10.937 -10.272 1.00 0.00 ATOM 507 OE1 GLU 75 6.546 -10.609 -10.117 1.00 0.00 ATOM 508 OE2 GLU 75 4.991 -11.895 -10.986 1.00 0.00 ATOM 509 O GLU 75 1.824 -9.356 -7.440 1.00 0.00 ATOM 510 C GLU 75 2.993 -9.106 -7.140 1.00 0.00 ATOM 511 N PRO 76 3.590 -9.632 -6.076 1.00 0.00 ATOM 512 CA PRO 76 2.879 -10.568 -5.222 1.00 0.00 ATOM 513 CB PRO 76 3.951 -11.078 -4.258 1.00 0.00 ATOM 514 CG PRO 76 4.995 -10.012 -4.261 1.00 0.00 ATOM 515 CD PRO 76 5.001 -9.439 -5.651 1.00 0.00 ATOM 516 O PRO 76 0.711 -10.485 -4.208 1.00 0.00 ATOM 517 C PRO 76 1.741 -9.876 -4.475 1.00 0.00 ATOM 518 N THR 77 1.930 -8.605 -4.144 1.00 0.00 ATOM 519 CA THR 77 0.896 -7.852 -3.445 1.00 0.00 ATOM 520 CB THR 77 1.417 -6.480 -2.973 1.00 0.00 ATOM 521 CG2 THR 77 0.310 -5.699 -2.283 1.00 0.00 ATOM 522 OG1 THR 77 2.497 -6.669 -2.051 1.00 0.00 ATOM 523 O THR 77 -1.428 -7.810 -4.014 1.00 0.00 ATOM 524 C THR 77 -0.276 -7.629 -4.388 1.00 0.00 ATOM 525 N CYS 78 0.030 -7.245 -5.624 1.00 0.00 ATOM 526 CA CYS 78 -1.005 -7.004 -6.620 1.00 0.00 ATOM 527 CB CYS 78 -0.388 -6.487 -7.921 1.00 0.00 ATOM 528 SG CYS 78 0.300 -4.818 -7.809 1.00 0.00 ATOM 529 O CYS 78 -3.002 -8.252 -7.136 1.00 0.00 ATOM 530 C CYS 78 -1.783 -8.279 -6.946 1.00 0.00 ATOM 531 N ALA 79 -1.071 -9.399 -7.001 1.00 0.00 ATOM 532 CA ALA 79 -1.694 -10.678 -7.295 1.00 0.00 ATOM 533 CB ALA 79 -0.638 -11.763 -7.433 1.00 0.00 ATOM 534 O ALA 79 -3.772 -11.511 -6.424 1.00 0.00 ATOM 535 C ALA 79 -2.656 -11.072 -6.169 1.00 0.00 ATOM 536 N ALA 80 -2.203 -10.910 -4.930 1.00 0.00 ATOM 537 CA ALA 80 -2.996 -11.240 -3.750 1.00 0.00 ATOM 538 CB ALA 80 -2.211 -10.944 -2.482 1.00 0.00 ATOM 539 O ALA 80 -5.384 -10.941 -3.623 1.00 0.00 ATOM 540 C ALA 80 -4.276 -10.412 -3.741 1.00 0.00 ATOM 541 N MET 81 -4.110 -9.104 -3.864 1.00 0.00 ATOM 542 CA MET 81 -5.228 -8.178 -3.877 1.00 0.00 ATOM 543 CB MET 81 -4.731 -6.737 -4.011 1.00 0.00 ATOM 544 CG MET 81 -4.000 -6.217 -2.783 1.00 0.00 ATOM 545 SD MET 81 -3.315 -4.568 -3.028 1.00 0.00 ATOM 546 CE MET 81 -4.813 -3.590 -3.126 1.00 0.00 ATOM 547 O MET 81 -7.411 -8.519 -4.841 1.00 0.00 ATOM 548 C MET 81 -6.194 -8.431 -5.034 1.00 0.00 ATOM 549 N GLU 82 -5.646 -8.555 -6.240 1.00 0.00 ATOM 550 CA GLU 82 -6.466 -8.748 -7.424 1.00 0.00 ATOM 551 CB GLU 82 -5.591 -8.795 -8.678 1.00 0.00 ATOM 552 CG GLU 82 -6.372 -8.949 -9.973 1.00 0.00 ATOM 553 CD GLU 82 -5.476 -8.958 -11.196 1.00 0.00 ATOM 554 OE1 GLU 82 -4.245 -8.830 -11.031 1.00 0.00 ATOM 555 OE2 GLU 82 -6.006 -9.092 -12.319 1.00 0.00 ATOM 556 O GLU 82 -8.473 -10.008 -7.767 1.00 0.00 ATOM 557 C GLU 82 -7.288 -10.031 -7.434 1.00 0.00 ATOM 558 N ALA 83 -6.672 -11.151 -7.080 1.00 0.00 ATOM 559 CA ALA 83 -7.401 -12.410 -7.070 1.00 0.00 ATOM 560 CB ALA 83 -6.462 -13.565 -6.761 1.00 0.00 ATOM 561 O ALA 83 -9.569 -12.898 -6.165 1.00 0.00 ATOM 562 C ALA 83 -8.488 -12.343 -5.998 1.00 0.00 ATOM 563 N ALA 84 -8.200 -11.657 -4.900 1.00 0.00 ATOM 564 CA ALA 84 -9.195 -11.514 -3.847 1.00 0.00 ATOM 565 CB ALA 84 -8.602 -10.785 -2.651 1.00 0.00 ATOM 566 O ALA 84 -11.515 -11.150 -4.358 1.00 0.00 ATOM 567 C ALA 84 -10.369 -10.710 -4.416 1.00 0.00 ATOM 568 N VAL 85 -10.080 -9.541 -4.989 1.00 0.00 ATOM 569 CA VAL 85 -11.136 -8.695 -5.538 1.00 0.00 ATOM 570 CB VAL 85 -10.571 -7.371 -6.086 1.00 0.00 ATOM 571 CG1 VAL 85 -11.650 -6.597 -6.826 1.00 0.00 ATOM 572 CG2 VAL 85 -10.052 -6.503 -4.949 1.00 0.00 ATOM 573 O VAL 85 -13.098 -9.251 -6.802 1.00 0.00 ATOM 574 C VAL 85 -11.884 -9.373 -6.691 1.00 0.00 ATOM 575 N ARG 86 -11.167 -10.098 -7.541 1.00 0.00 ATOM 576 CA ARG 86 -11.823 -10.784 -8.650 1.00 0.00 ATOM 577 CB ARG 86 -10.792 -11.517 -9.511 1.00 0.00 ATOM 578 CG ARG 86 -9.885 -10.595 -10.310 1.00 0.00 ATOM 579 CD ARG 86 -8.807 -11.379 -11.040 1.00 0.00 ATOM 580 NE ARG 86 -9.370 -12.273 -12.050 1.00 0.00 ATOM 581 CZ ARG 86 -8.678 -13.215 -12.683 1.00 0.00 ATOM 582 NH1 ARG 86 -9.275 -13.981 -13.586 1.00 0.00 ATOM 583 NH2 ARG 86 -7.393 -13.390 -12.411 1.00 0.00 ATOM 584 O ARG 86 -13.774 -12.150 -8.873 1.00 0.00 ATOM 585 C ARG 86 -12.834 -11.813 -8.155 1.00 0.00 ATOM 586 N ASP 87 -12.635 -12.316 -6.938 1.00 0.00 ATOM 587 CA ASP 87 -13.541 -13.305 -6.367 1.00 0.00 ATOM 588 CB ASP 87 -12.785 -14.247 -5.429 1.00 0.00 ATOM 589 CG ASP 87 -11.840 -15.173 -6.170 1.00 0.00 ATOM 590 OD1 ASP 87 -12.003 -15.328 -7.399 1.00 0.00 ATOM 591 OD2 ASP 87 -10.937 -15.743 -5.522 1.00 0.00 ATOM 592 O ASP 87 -15.399 -13.292 -4.838 1.00 0.00 ATOM 593 C ASP 87 -14.651 -12.633 -5.570 1.00 0.00 ATOM 594 N GLY 88 -14.753 -11.320 -5.723 1.00 0.00 ATOM 595 CA GLY 88 -15.783 -10.571 -5.029 1.00 0.00 ATOM 596 O GLY 88 -16.472 -10.173 -2.781 1.00 0.00 ATOM 597 C GLY 88 -15.550 -10.477 -3.538 1.00 0.00 ATOM 598 N GLY 89 -14.324 -10.738 -3.101 1.00 0.00 ATOM 599 CA GLY 89 -14.030 -10.653 -1.677 1.00 0.00 ATOM 600 O GLY 89 -12.839 -8.654 -2.255 1.00 0.00 ATOM 601 C GLY 89 -13.276 -9.373 -1.355 1.00 0.00 ATOM 602 N SER 90 -13.142 -9.080 -0.067 1.00 0.00 ATOM 603 CA SER 90 -12.472 -7.863 0.353 1.00 0.00 ATOM 604 CB SER 90 -13.343 -7.086 1.343 1.00 0.00 ATOM 605 OG SER 90 -14.517 -6.602 0.717 1.00 0.00 ATOM 606 O SER 90 -10.953 -8.961 1.876 1.00 0.00 ATOM 607 C SER 90 -11.136 -8.066 1.045 1.00 0.00 ATOM 608 N CYS 91 -10.208 -7.188 0.699 1.00 0.00 ATOM 609 CA CYS 91 -8.868 -7.250 1.225 1.00 0.00 ATOM 610 CB CYS 91 -7.853 -7.406 0.091 1.00 0.00 ATOM 611 SG CYS 91 -6.133 -7.524 0.639 1.00 0.00 ATOM 612 O CYS 91 -8.772 -4.883 1.559 1.00 0.00 ATOM 613 C CYS 91 -8.497 -6.001 1.998 1.00 0.00 ATOM 614 N LEU 92 -7.908 -6.207 3.167 1.00 0.00 ATOM 615 CA LEU 92 -7.438 -5.113 3.996 1.00 0.00 ATOM 616 CB LEU 92 -7.909 -5.295 5.440 1.00 0.00 ATOM 617 CG LEU 92 -7.441 -4.239 6.444 1.00 0.00 ATOM 618 CD1 LEU 92 -8.020 -2.875 6.099 1.00 0.00 ATOM 619 CD2 LEU 92 -7.885 -4.603 7.852 1.00 0.00 ATOM 620 O LEU 92 -5.306 -6.189 4.183 1.00 0.00 ATOM 621 C LEU 92 -5.921 -5.157 3.910 1.00 0.00 ATOM 622 N VAL 93 -5.332 -4.043 3.510 1.00 0.00 ATOM 623 CA VAL 93 -3.888 -3.935 3.434 1.00 0.00 ATOM 624 CB VAL 93 -3.438 -3.320 2.096 1.00 0.00 ATOM 625 CG1 VAL 93 -1.924 -3.184 2.056 1.00 0.00 ATOM 626 CG2 VAL 93 -3.872 -4.200 0.933 1.00 0.00 ATOM 627 O VAL 93 -4.023 -1.919 4.725 1.00 0.00 ATOM 628 C VAL 93 -3.508 -3.036 4.600 1.00 0.00 ATOM 629 N TYR 94 -2.629 -3.500 5.473 1.00 0.00 ATOM 630 CA TYR 94 -2.284 -2.645 6.594 1.00 0.00 ATOM 631 CB TYR 94 -3.165 -2.966 7.804 1.00 0.00 ATOM 632 CG TYR 94 -2.974 -4.364 8.346 1.00 0.00 ATOM 633 CD1 TYR 94 -2.048 -4.618 9.349 1.00 0.00 ATOM 634 CD2 TYR 94 -3.721 -5.425 7.852 1.00 0.00 ATOM 635 CE1 TYR 94 -1.867 -5.894 9.851 1.00 0.00 ATOM 636 CE2 TYR 94 -3.554 -6.708 8.341 1.00 0.00 ATOM 637 CZ TYR 94 -2.618 -6.935 9.348 1.00 0.00 ATOM 638 OH TYR 94 -2.440 -8.205 9.846 1.00 0.00 ATOM 639 O TYR 94 -0.183 -3.785 6.767 1.00 0.00 ATOM 640 C TYR 94 -0.849 -2.789 7.047 1.00 0.00 ATOM 641 N CYS 95 -0.387 -1.768 7.754 1.00 0.00 ATOM 642 CA CYS 95 0.946 -1.757 8.318 1.00 0.00 ATOM 643 CB CYS 95 1.839 -0.769 7.566 1.00 0.00 ATOM 644 SG CYS 95 1.293 0.953 7.659 1.00 0.00 ATOM 645 O CYS 95 -0.274 -1.714 10.367 1.00 0.00 ATOM 646 C CYS 95 0.732 -1.334 9.759 1.00 0.00 ATOM 647 N LYS 96 1.649 -0.556 10.318 1.00 0.00 ATOM 648 CA LYS 96 1.481 -0.117 11.694 1.00 0.00 ATOM 649 CB LYS 96 2.808 0.394 12.259 1.00 0.00 ATOM 650 CG LYS 96 2.737 0.829 13.713 1.00 0.00 ATOM 651 CD LYS 96 4.114 1.175 14.254 1.00 0.00 ATOM 652 CE LYS 96 4.052 1.549 15.727 1.00 0.00 ATOM 653 NZ LYS 96 5.400 1.856 16.278 1.00 0.00 ATOM 654 O LYS 96 -0.521 0.926 12.521 1.00 0.00 ATOM 655 C LYS 96 0.458 1.007 11.771 1.00 0.00 ATOM 656 N ASN 97 0.681 2.058 10.988 1.00 0.00 ATOM 657 CA ASN 97 -0.209 3.212 11.005 1.00 0.00 ATOM 658 CB ASN 97 0.599 4.511 11.051 1.00 0.00 ATOM 659 CG ASN 97 1.426 4.639 12.315 1.00 0.00 ATOM 660 ND2 ASN 97 2.743 4.554 12.170 1.00 0.00 ATOM 661 OD1 ASN 97 0.885 4.812 13.407 1.00 0.00 ATOM 662 O ASN 97 -2.059 4.112 9.810 1.00 0.00 ATOM 663 C ASN 97 -1.125 3.324 9.797 1.00 0.00 ATOM 664 N GLY 98 -0.872 2.537 8.755 1.00 0.00 ATOM 665 CA GLY 98 -1.707 2.624 7.570 1.00 0.00 ATOM 666 O GLY 98 -2.281 4.531 6.217 1.00 0.00 ATOM 667 C GLY 98 -1.415 3.936 6.865 1.00 0.00 ATOM 668 N ARG 99 -0.171 4.377 6.979 1.00 0.00 ATOM 669 CA ARG 99 0.255 5.635 6.383 1.00 0.00 ATOM 670 CB ARG 99 0.930 6.525 7.429 1.00 0.00 ATOM 671 CG ARG 99 1.219 7.937 6.949 1.00 0.00 ATOM 672 CD ARG 99 1.858 8.772 8.047 1.00 0.00 ATOM 673 NE ARG 99 3.177 8.267 8.423 1.00 0.00 ATOM 674 CZ ARG 99 3.869 8.695 9.475 1.00 0.00 ATOM 675 NH1 ARG 99 5.060 8.177 9.739 1.00 0.00 ATOM 676 NH2 ARG 99 3.368 9.641 10.258 1.00 0.00 ATOM 677 O ARG 99 1.105 6.106 4.190 1.00 0.00 ATOM 678 C ARG 99 1.253 5.486 5.243 1.00 0.00 ATOM 679 N SER 100 2.269 4.655 5.441 1.00 0.00 ATOM 680 CA SER 100 3.303 4.524 4.421 1.00 0.00 ATOM 681 CB SER 100 4.687 4.773 5.026 1.00 0.00 ATOM 682 OG SER 100 5.706 4.592 4.058 1.00 0.00 ATOM 683 O SER 100 3.332 3.141 2.465 1.00 0.00 ATOM 684 C SER 100 3.454 3.191 3.691 1.00 0.00 ATOM 685 N ARG 101 3.714 2.115 4.425 1.00 0.00 ATOM 686 CA ARG 101 3.903 0.805 3.796 1.00 0.00 ATOM 687 CB ARG 101 4.271 -0.246 4.845 1.00 0.00 ATOM 688 CG ARG 101 5.675 -0.093 5.409 1.00 0.00 ATOM 689 CD ARG 101 6.078 -1.313 6.222 1.00 0.00 ATOM 690 NE ARG 101 5.216 -1.503 7.387 1.00 0.00 ATOM 691 CZ ARG 101 5.430 -0.942 8.574 1.00 0.00 ATOM 692 NH1 ARG 101 4.593 -1.173 9.576 1.00 0.00 ATOM 693 NH2 ARG 101 6.481 -0.155 8.756 1.00 0.00 ATOM 694 O ARG 101 2.771 -0.076 1.867 1.00 0.00 ATOM 695 C ARG 101 2.689 0.242 3.058 1.00 0.00 ATOM 696 N SER 102 1.565 0.109 3.757 1.00 0.00 ATOM 697 CA SER 102 0.360 -0.423 3.139 1.00 0.00 ATOM 698 CB SER 102 -0.771 -0.519 4.165 1.00 0.00 ATOM 699 OG SER 102 -1.156 0.767 4.622 1.00 0.00 ATOM 700 O SER 102 -0.517 0.017 0.942 1.00 0.00 ATOM 701 C SER 102 -0.095 0.485 1.999 1.00 0.00 ATOM 702 N ALA 103 -0.015 1.789 2.228 1.00 0.00 ATOM 703 CA ALA 103 -0.401 2.771 1.229 1.00 0.00 ATOM 704 CB ALA 103 -0.168 4.180 1.753 1.00 0.00 ATOM 705 O ALA 103 -0.136 2.666 -1.154 1.00 0.00 ATOM 706 C ALA 103 0.414 2.598 -0.053 1.00 0.00 ATOM 707 N ALA 104 1.714 2.356 0.089 1.00 0.00 ATOM 708 CA ALA 104 2.579 2.182 -1.079 1.00 0.00 ATOM 709 CB ALA 104 4.018 1.960 -0.644 1.00 0.00 ATOM 710 O ALA 104 2.062 1.066 -3.142 1.00 0.00 ATOM 711 C ALA 104 2.151 0.981 -1.915 1.00 0.00 ATOM 712 N VAL 105 1.871 -0.138 -1.256 1.00 0.00 ATOM 713 CA VAL 105 1.436 -1.322 -1.983 1.00 0.00 ATOM 714 CB VAL 105 1.243 -2.524 -1.040 1.00 0.00 ATOM 715 CG1 VAL 105 0.602 -3.686 -1.781 1.00 0.00 ATOM 716 CG2 VAL 105 2.581 -2.988 -0.485 1.00 0.00 ATOM 717 O VAL 105 -0.080 -1.416 -3.846 1.00 0.00 ATOM 718 C VAL 105 0.102 -1.053 -2.687 1.00 0.00 ATOM 719 N CYS 106 -0.831 -0.400 -1.999 1.00 0.00 ATOM 720 CA CYS 106 -2.128 -0.118 -2.602 1.00 0.00 ATOM 721 CB CYS 106 -3.075 0.501 -1.572 1.00 0.00 ATOM 722 SG CYS 106 -3.598 -0.632 -0.263 1.00 0.00 ATOM 723 O CYS 106 -2.741 0.766 -4.759 1.00 0.00 ATOM 724 C CYS 106 -2.006 0.861 -3.773 1.00 0.00 ATOM 725 N THR 107 -1.073 1.800 -3.675 1.00 0.00 ATOM 726 CA THR 107 -0.870 2.751 -4.755 1.00 0.00 ATOM 727 CB THR 107 0.185 3.810 -4.383 1.00 0.00 ATOM 728 CG2 THR 107 0.410 4.767 -5.543 1.00 0.00 ATOM 729 OG1 THR 107 -0.264 4.556 -3.245 1.00 0.00 ATOM 730 O THR 107 -0.879 2.176 -7.088 1.00 0.00 ATOM 731 C THR 107 -0.394 1.966 -5.978 1.00 0.00 ATOM 732 N ALA 108 0.551 1.056 -5.762 1.00 0.00 ATOM 733 CA ALA 108 1.083 0.240 -6.848 1.00 0.00 ATOM 734 CB ALA 108 2.090 -0.766 -6.312 1.00 0.00 ATOM 735 O ALA 108 -0.099 -0.621 -8.759 1.00 0.00 ATOM 736 C ALA 108 -0.048 -0.515 -7.528 1.00 0.00 ATOM 737 N TYR 109 -0.966 -1.031 -6.717 1.00 0.00 ATOM 738 CA TYR 109 -2.095 -1.777 -7.235 1.00 0.00 ATOM 739 CB TYR 109 -2.917 -2.371 -6.089 1.00 0.00 ATOM 740 CG TYR 109 -4.131 -3.148 -6.544 1.00 0.00 ATOM 741 CD1 TYR 109 -4.006 -4.444 -7.031 1.00 0.00 ATOM 742 CD2 TYR 109 -5.399 -2.585 -6.486 1.00 0.00 ATOM 743 CE1 TYR 109 -5.110 -5.162 -7.448 1.00 0.00 ATOM 744 CE2 TYR 109 -6.515 -3.287 -6.900 1.00 0.00 ATOM 745 CZ TYR 109 -6.361 -4.586 -7.384 1.00 0.00 ATOM 746 OH TYR 109 -7.462 -5.298 -7.799 1.00 0.00 ATOM 747 O TYR 109 -3.406 -1.242 -9.161 1.00 0.00 ATOM 748 C TYR 109 -3.009 -0.880 -8.060 1.00 0.00 ATOM 749 N LEU 110 -3.342 0.291 -7.526 1.00 0.00 ATOM 750 CA LEU 110 -4.221 1.215 -8.234 1.00 0.00 ATOM 751 CB LEU 110 -4.438 2.486 -7.409 1.00 0.00 ATOM 752 CG LEU 110 -5.269 2.333 -6.133 1.00 0.00 ATOM 753 CD1 LEU 110 -5.254 3.620 -5.324 1.00 0.00 ATOM 754 CD2 LEU 110 -6.715 2.000 -6.471 1.00 0.00 ATOM 755 O LEU 110 -4.356 1.662 -10.574 1.00 0.00 ATOM 756 C LEU 110 -3.640 1.626 -9.576 1.00 0.00 ATOM 757 N MET 111 -2.346 1.928 -9.600 1.00 0.00 ATOM 758 CA MET 111 -1.676 2.326 -10.837 1.00 0.00 ATOM 759 CB MET 111 -0.191 2.593 -10.579 1.00 0.00 ATOM 760 CG MET 111 0.082 3.847 -9.765 1.00 0.00 ATOM 761 SD MET 111 1.836 4.264 -9.699 1.00 0.00 ATOM 762 CE MET 111 2.438 3.012 -8.567 1.00 0.00 ATOM 763 O MET 111 -1.945 1.488 -13.071 1.00 0.00 ATOM 764 C MET 111 -1.798 1.219 -11.879 1.00 0.00 ATOM 765 N ARG 112 -1.752 -0.027 -11.411 1.00 0.00 ATOM 766 CA ARG 112 -1.827 -1.187 -12.291 1.00 0.00 ATOM 767 CB ARG 112 -1.357 -2.446 -11.559 1.00 0.00 ATOM 768 CG ARG 112 -1.293 -3.686 -12.435 1.00 0.00 ATOM 769 CD ARG 112 -0.686 -4.861 -11.684 1.00 0.00 ATOM 770 NE ARG 112 -0.570 -6.049 -12.529 1.00 0.00 ATOM 771 CZ ARG 112 -0.188 -7.242 -12.089 1.00 0.00 ATOM 772 NH1 ARG 112 -0.112 -8.265 -12.929 1.00 0.00 ATOM 773 NH2 ARG 112 0.119 -7.411 -10.811 1.00 0.00 ATOM 774 O ARG 112 -3.361 -2.097 -13.892 1.00 0.00 ATOM 775 C ARG 112 -3.226 -1.502 -12.824 1.00 0.00 ATOM 776 N HIS 113 -4.271 -1.104 -12.102 1.00 0.00 ATOM 777 CA HIS 113 -5.626 -1.380 -12.574 1.00 0.00 ATOM 778 CB HIS 113 -6.511 -1.852 -11.418 1.00 0.00 ATOM 779 CG HIS 113 -6.097 -3.169 -10.841 1.00 0.00 ATOM 780 CD2 HIS 113 -6.418 -4.564 -11.104 1.00 0.00 ATOM 781 ND1 HIS 113 -5.201 -3.279 -9.800 1.00 0.00 ATOM 782 CE1 HIS 113 -5.031 -4.580 -9.503 1.00 0.00 ATOM 783 NE2 HIS 113 -5.757 -5.356 -10.282 1.00 0.00 ATOM 784 O HIS 113 -7.489 -0.142 -13.464 1.00 0.00 ATOM 785 C HIS 113 -6.288 -0.144 -13.185 1.00 0.00 ATOM 786 N ARG 114 -5.490 0.898 -13.397 1.00 0.00 ATOM 787 CA ARG 114 -5.961 2.146 -13.991 1.00 0.00 ATOM 788 CB ARG 114 -6.286 3.169 -12.901 1.00 0.00 ATOM 789 CG ARG 114 -7.396 2.736 -11.955 1.00 0.00 ATOM 790 CD ARG 114 -8.747 2.736 -12.652 1.00 0.00 ATOM 791 NE ARG 114 -9.838 2.431 -11.730 1.00 0.00 ATOM 792 CZ ARG 114 -10.252 1.200 -11.446 1.00 0.00 ATOM 793 NH1 ARG 114 -11.252 1.016 -10.594 1.00 0.00 ATOM 794 NH2 ARG 114 -9.664 0.155 -12.012 1.00 0.00 ATOM 795 O ARG 114 -3.893 1.951 -15.205 1.00 0.00 ATOM 796 C ARG 114 -4.841 2.674 -14.887 1.00 0.00 ATOM 797 N GLY 115 -4.959 3.937 -15.286 1.00 0.00 ATOM 798 CA GLY 115 -3.939 4.582 -16.114 1.00 0.00 ATOM 799 O GLY 115 -2.556 6.526 -15.751 1.00 0.00 ATOM 800 C GLY 115 -3.288 5.667 -15.256 1.00 0.00 ATOM 801 N HIS 116 -3.554 5.595 -13.952 1.00 0.00 ATOM 802 CA HIS 116 -3.038 6.554 -12.979 1.00 0.00 ATOM 803 CB HIS 116 -3.720 6.360 -11.623 1.00 0.00 ATOM 804 CG HIS 116 -5.170 6.733 -11.618 1.00 0.00 ATOM 805 CD2 HIS 116 -6.088 7.345 -12.568 1.00 0.00 ATOM 806 ND1 HIS 116 -5.990 6.515 -10.533 1.00 0.00 ATOM 807 CE1 HIS 116 -7.228 6.950 -10.824 1.00 0.00 ATOM 808 NE2 HIS 116 -7.294 7.448 -12.044 1.00 0.00 ATOM 809 O HIS 116 -0.958 5.380 -12.718 1.00 0.00 ATOM 810 C HIS 116 -1.542 6.465 -12.712 1.00 0.00 ATOM 811 N SER 117 -0.939 7.625 -12.461 1.00 0.00 ATOM 812 CA SER 117 0.464 7.681 -12.100 1.00 0.00 ATOM 813 CB SER 117 1.072 9.021 -12.521 1.00 0.00 ATOM 814 OG SER 117 0.551 10.084 -11.743 1.00 0.00 ATOM 815 O SER 117 -0.692 7.422 -10.034 1.00 0.00 ATOM 816 C SER 117 0.412 7.512 -10.589 1.00 0.00 ATOM 817 N LEU 118 1.552 7.490 -9.903 1.00 0.00 ATOM 818 CA LEU 118 1.498 7.296 -8.462 1.00 0.00 ATOM 819 CB LEU 118 2.907 7.169 -7.885 1.00 0.00 ATOM 820 CG LEU 118 3.003 6.824 -6.398 1.00 0.00 ATOM 821 CD1 LEU 118 2.332 5.488 -6.111 1.00 0.00 ATOM 822 CD2 LEU 118 4.456 6.729 -5.959 1.00 0.00 ATOM 823 O LEU 118 0.157 8.184 -6.688 1.00 0.00 ATOM 824 C LEU 118 0.821 8.429 -7.693 1.00 0.00 ATOM 825 N ASP 119 0.960 9.666 -8.164 1.00 0.00 ATOM 826 CA ASP 119 0.328 10.776 -7.463 1.00 0.00 ATOM 827 CB ASP 119 0.794 12.112 -8.045 1.00 0.00 ATOM 828 CG ASP 119 2.224 12.445 -7.665 1.00 0.00 ATOM 829 OD1 ASP 119 2.771 11.778 -6.762 1.00 0.00 ATOM 830 OD2 ASP 119 2.798 13.374 -8.272 1.00 0.00 ATOM 831 O ASP 119 -1.896 11.070 -6.616 1.00 0.00 ATOM 832 C ASP 119 -1.194 10.731 -7.573 1.00 0.00 ATOM 833 N ARG 120 -1.713 10.311 -8.725 1.00 0.00 ATOM 834 CA ARG 120 -3.161 10.217 -8.891 1.00 0.00 ATOM 835 CB ARG 120 -3.517 9.990 -10.363 1.00 0.00 ATOM 836 CG ARG 120 -3.278 11.197 -11.252 1.00 0.00 ATOM 837 CD ARG 120 -3.574 10.877 -12.709 1.00 0.00 ATOM 838 NE ARG 120 -3.341 12.026 -13.580 1.00 0.00 ATOM 839 CZ ARG 120 -3.396 11.981 -14.907 1.00 0.00 ATOM 840 NH1 ARG 120 -3.171 13.076 -15.619 1.00 0.00 ATOM 841 NH2 ARG 120 -3.679 10.839 -15.520 1.00 0.00 ATOM 842 O ARG 120 -4.774 9.082 -7.528 1.00 0.00 ATOM 843 C ARG 120 -3.665 9.048 -8.061 1.00 0.00 ATOM 844 N ALA 121 -2.839 8.011 -7.961 1.00 0.00 ATOM 845 CA ALA 121 -3.177 6.841 -7.162 1.00 0.00 ATOM 846 CB ALA 121 -2.144 5.743 -7.365 1.00 0.00 ATOM 847 O ALA 121 -4.114 6.887 -4.944 1.00 0.00 ATOM 848 C ALA 121 -3.203 7.256 -5.694 1.00 0.00 ATOM 849 N PHE 122 -2.205 8.036 -5.282 1.00 0.00 ATOM 850 CA PHE 122 -2.146 8.495 -3.901 1.00 0.00 ATOM 851 CB PHE 122 -0.858 9.285 -3.654 1.00 0.00 ATOM 852 CG PHE 122 -0.725 9.802 -2.251 1.00 0.00 ATOM 853 CD1 PHE 122 -0.318 8.965 -1.225 1.00 0.00 ATOM 854 CD2 PHE 122 -1.004 11.124 -1.954 1.00 0.00 ATOM 855 CE1 PHE 122 -0.195 9.442 0.067 1.00 0.00 ATOM 856 CE2 PHE 122 -0.882 11.601 -0.662 1.00 0.00 ATOM 857 CZ PHE 122 -0.478 10.765 0.346 1.00 0.00 ATOM 858 O PHE 122 -3.906 9.367 -2.525 1.00 0.00 ATOM 859 C PHE 122 -3.342 9.393 -3.621 1.00 0.00 ATOM 860 N GLN 123 -3.726 10.190 -4.616 1.00 0.00 ATOM 861 CA GLN 123 -4.874 11.069 -4.459 1.00 0.00 ATOM 862 CB GLN 123 -5.099 11.889 -5.730 1.00 0.00 ATOM 863 CG GLN 123 -4.044 12.954 -5.976 1.00 0.00 ATOM 864 CD GLN 123 -4.236 13.669 -7.299 1.00 0.00 ATOM 865 OE1 GLN 123 -5.110 13.313 -8.088 1.00 0.00 ATOM 866 NE2 GLN 123 -3.414 14.684 -7.546 1.00 0.00 ATOM 867 O GLN 123 -6.909 10.468 -3.311 1.00 0.00 ATOM 868 C GLN 123 -6.088 10.181 -4.184 1.00 0.00 ATOM 869 N MET 124 -6.181 9.091 -4.938 1.00 0.00 ATOM 870 CA MET 124 -7.286 8.149 -4.783 1.00 0.00 ATOM 871 CB MET 124 -7.148 6.994 -5.777 1.00 0.00 ATOM 872 CG MET 124 -7.374 7.393 -7.226 1.00 0.00 ATOM 873 SD MET 124 -9.032 8.038 -7.519 1.00 0.00 ATOM 874 CE MET 124 -10.015 6.558 -7.296 1.00 0.00 ATOM 875 O MET 124 -8.347 7.485 -2.737 1.00 0.00 ATOM 876 C MET 124 -7.295 7.575 -3.372 1.00 0.00 ATOM 877 N VAL 125 -6.122 7.193 -2.878 1.00 0.00 ATOM 878 CA VAL 125 -6.012 6.649 -1.525 1.00 0.00 ATOM 879 CB VAL 125 -4.578 6.183 -1.218 1.00 0.00 ATOM 880 CG1 VAL 125 -4.443 5.808 0.250 1.00 0.00 ATOM 881 CG2 VAL 125 -4.222 4.967 -2.058 1.00 0.00 ATOM 882 O VAL 125 -7.190 7.441 0.418 1.00 0.00 ATOM 883 C VAL 125 -6.396 7.710 -0.489 1.00 0.00 ATOM 884 N LYS 126 -5.851 8.917 -0.628 1.00 0.00 ATOM 885 CA LYS 126 -6.147 9.986 0.326 1.00 0.00 ATOM 886 CB LYS 126 -5.407 11.268 -0.058 1.00 0.00 ATOM 887 CG LYS 126 -5.621 12.422 0.908 1.00 0.00 ATOM 888 CD LYS 126 -4.792 13.633 0.514 1.00 0.00 ATOM 889 CE LYS 126 -4.991 14.780 1.491 1.00 0.00 ATOM 890 NZ LYS 126 -4.182 15.974 1.119 1.00 0.00 ATOM 891 O LYS 126 -8.093 10.761 1.470 1.00 0.00 ATOM 892 C LYS 126 -7.616 10.345 0.413 1.00 0.00 ATOM 893 N SER 127 -8.336 10.184 -0.693 1.00 0.00 ATOM 894 CA SER 127 -9.765 10.478 -0.708 1.00 0.00 ATOM 895 CB SER 127 -10.342 10.259 -2.108 1.00 0.00 ATOM 896 OG SER 127 -9.787 11.176 -3.036 1.00 0.00 ATOM 897 O SER 127 -11.503 9.888 0.836 1.00 0.00 ATOM 898 C SER 127 -10.460 9.550 0.275 1.00 0.00 ATOM 899 N ALA 128 -9.886 8.365 0.477 1.00 0.00 ATOM 900 CA ALA 128 -10.477 7.417 1.407 1.00 0.00 ATOM 901 CB ALA 128 -10.365 6.002 0.863 1.00 0.00 ATOM 902 O ALA 128 -10.437 7.272 3.801 1.00 0.00 ATOM 903 C ALA 128 -9.795 7.441 2.764 1.00 0.00 ATOM 904 N ARG 129 -8.484 7.656 2.756 1.00 0.00 ATOM 905 CA ARG 129 -7.700 7.697 3.983 1.00 0.00 ATOM 906 CB ARG 129 -6.917 6.394 4.162 1.00 0.00 ATOM 907 CG ARG 129 -6.106 6.329 5.447 1.00 0.00 ATOM 908 CD ARG 129 -5.297 5.045 5.523 1.00 0.00 ATOM 909 NE ARG 129 -4.278 4.976 4.478 1.00 0.00 ATOM 910 CZ ARG 129 -4.482 4.469 3.267 1.00 0.00 ATOM 911 NH1 ARG 129 -3.496 4.449 2.381 1.00 0.00 ATOM 912 NH2 ARG 129 -5.673 3.982 2.946 1.00 0.00 ATOM 913 O ARG 129 -5.668 8.772 3.260 1.00 0.00 ATOM 914 C ARG 129 -6.737 8.880 3.859 1.00 0.00 ATOM 915 N PRO 130 -7.136 10.016 4.421 1.00 0.00 ATOM 916 CA PRO 130 -6.348 11.240 4.327 1.00 0.00 ATOM 917 CB PRO 130 -7.141 12.254 5.154 1.00 0.00 ATOM 918 CG PRO 130 -8.550 11.765 5.095 1.00 0.00 ATOM 919 CD PRO 130 -8.472 10.264 5.124 1.00 0.00 ATOM 920 O PRO 130 -4.041 11.870 4.351 1.00 0.00 ATOM 921 C PRO 130 -4.924 11.172 4.858 1.00 0.00 ATOM 922 N VAL 131 -4.678 10.331 5.856 1.00 0.00 ATOM 923 CA VAL 131 -3.337 10.244 6.416 1.00 0.00 ATOM 924 CB VAL 131 -3.331 9.470 7.748 1.00 0.00 ATOM 925 CG1 VAL 131 -4.206 10.171 8.775 1.00 0.00 ATOM 926 CG2 VAL 131 -3.862 8.060 7.546 1.00 0.00 ATOM 927 O VAL 131 -1.154 9.469 5.821 1.00 0.00 ATOM 928 C VAL 131 -2.335 9.533 5.506 1.00 0.00 ATOM 929 N ALA 132 -2.797 9.006 4.373 1.00 0.00 ATOM 930 CA ALA 132 -1.906 8.293 3.459 1.00 0.00 ATOM 931 CB ALA 132 -2.649 7.907 2.189 1.00 0.00 ATOM 932 O ALA 132 -0.886 10.313 2.654 1.00 0.00 ATOM 933 C ALA 132 -0.717 9.166 3.073 1.00 0.00 ATOM 934 N GLU 133 0.489 8.623 3.202 1.00 0.00 ATOM 935 CA GLU 133 1.694 9.382 2.876 1.00 0.00 ATOM 936 CB GLU 133 1.930 10.485 3.909 1.00 0.00 ATOM 937 CG GLU 133 3.136 11.363 3.618 1.00 0.00 ATOM 938 CD GLU 133 3.295 12.487 4.620 1.00 0.00 ATOM 939 OE1 GLU 133 2.454 12.587 5.539 1.00 0.00 ATOM 940 OE2 GLU 133 4.260 13.268 4.488 1.00 0.00 ATOM 941 O GLU 133 3.631 8.358 3.855 1.00 0.00 ATOM 942 C GLU 133 2.929 8.485 2.856 1.00 0.00 ATOM 943 N PRO 134 3.217 7.852 1.712 1.00 0.00 ATOM 944 CA PRO 134 4.392 6.978 1.637 1.00 0.00 ATOM 945 CB PRO 134 4.441 6.547 0.170 1.00 0.00 ATOM 946 CG PRO 134 3.037 6.702 -0.310 1.00 0.00 ATOM 947 CD PRO 134 2.487 7.912 0.390 1.00 0.00 ATOM 948 O PRO 134 5.680 8.988 1.819 1.00 0.00 ATOM 949 C PRO 134 5.628 7.780 2.052 1.00 0.00 ATOM 950 N ASN 135 6.617 7.131 2.662 1.00 0.00 ATOM 951 CA ASN 135 7.814 7.866 3.044 1.00 0.00 ATOM 952 CB ASN 135 8.741 6.981 3.880 1.00 0.00 ATOM 953 CG ASN 135 9.355 5.853 3.073 1.00 0.00 ATOM 954 ND2 ASN 135 9.050 4.619 3.457 1.00 0.00 ATOM 955 OD1 ASN 135 10.092 6.092 2.116 1.00 0.00 ATOM 956 O ASN 135 8.222 7.700 0.686 1.00 0.00 ATOM 957 C ASN 135 8.495 8.278 1.743 1.00 0.00 ATOM 958 N LEU 136 9.358 9.289 1.813 1.00 0.00 ATOM 959 CA LEU 136 10.049 9.792 0.626 1.00 0.00 ATOM 960 CB LEU 136 11.180 10.742 1.025 1.00 0.00 ATOM 961 CG LEU 136 10.756 12.094 1.601 1.00 0.00 ATOM 962 CD1 LEU 136 11.965 12.865 2.107 1.00 0.00 ATOM 963 CD2 LEU 136 10.066 12.937 0.540 1.00 0.00 ATOM 964 O LEU 136 10.632 8.764 -1.453 1.00 0.00 ATOM 965 C LEU 136 10.678 8.699 -0.229 1.00 0.00 ATOM 966 N GLY 137 11.251 7.688 0.413 1.00 0.00 ATOM 967 CA GLY 137 11.873 6.606 -0.331 1.00 0.00 ATOM 968 O GLY 137 11.177 5.377 -2.270 1.00 0.00 ATOM 969 C GLY 137 10.882 5.793 -1.149 1.00 0.00 ATOM 970 N PHE 138 9.700 5.552 -0.591 1.00 0.00 ATOM 971 CA PHE 138 8.692 4.791 -1.317 1.00 0.00 ATOM 972 CB PHE 138 7.527 4.429 -0.395 1.00 0.00 ATOM 973 CG PHE 138 7.885 3.432 0.671 1.00 0.00 ATOM 974 CD1 PHE 138 9.027 2.658 0.559 1.00 0.00 ATOM 975 CD2 PHE 138 7.079 3.266 1.782 1.00 0.00 ATOM 976 CE1 PHE 138 9.357 1.741 1.539 1.00 0.00 ATOM 977 CE2 PHE 138 7.408 2.349 2.763 1.00 0.00 ATOM 978 CZ PHE 138 8.542 1.588 2.644 1.00 0.00 ATOM 979 O PHE 138 7.814 5.054 -3.533 1.00 0.00 ATOM 980 C PHE 138 8.149 5.610 -2.485 1.00 0.00 ATOM 981 N TRP 139 8.073 6.927 -2.313 1.00 0.00 ATOM 982 CA TRP 139 7.579 7.792 -3.384 1.00 0.00 ATOM 983 CB TRP 139 7.515 9.246 -2.912 1.00 0.00 ATOM 984 CG TRP 139 7.000 10.192 -3.953 1.00 0.00 ATOM 985 CD1 TRP 139 5.695 10.484 -4.220 1.00 0.00 ATOM 986 CD2 TRP 139 7.782 10.971 -4.867 1.00 0.00 ATOM 987 CE2 TRP 139 6.883 11.712 -5.658 1.00 0.00 ATOM 988 CE3 TRP 139 9.155 11.115 -5.093 1.00 0.00 ATOM 989 NE1 TRP 139 5.613 11.397 -5.243 1.00 0.00 ATOM 990 CZ2 TRP 139 7.311 12.583 -6.660 1.00 0.00 ATOM 991 CZ3 TRP 139 9.574 11.978 -6.087 1.00 0.00 ATOM 992 CH2 TRP 139 8.659 12.702 -6.858 1.00 0.00 ATOM 993 O TRP 139 8.135 7.629 -5.712 1.00 0.00 ATOM 994 C TRP 139 8.542 7.666 -4.551 1.00 0.00 ATOM 995 N ALA 140 9.829 7.603 -4.219 1.00 0.00 ATOM 996 CA ALA 140 10.883 7.466 -5.212 1.00 0.00 ATOM 997 CB ALA 140 12.248 7.459 -4.539 1.00 0.00 ATOM 998 O ALA 140 10.676 6.114 -7.189 1.00 0.00 ATOM 999 C ALA 140 10.677 6.150 -5.957 1.00 0.00 ATOM 1000 N GLN 141 10.480 5.072 -5.205 1.00 0.00 ATOM 1001 CA GLN 141 10.261 3.758 -5.799 1.00 0.00 ATOM 1002 CB GLN 141 10.101 2.696 -4.710 1.00 0.00 ATOM 1003 CG GLN 141 11.384 2.382 -3.957 1.00 0.00 ATOM 1004 CD GLN 141 11.165 1.411 -2.812 1.00 0.00 ATOM 1005 OE1 GLN 141 10.033 1.032 -2.515 1.00 0.00 ATOM 1006 NE2 GLN 141 12.252 1.006 -2.168 1.00 0.00 ATOM 1007 O GLN 141 8.966 3.143 -7.719 1.00 0.00 ATOM 1008 C GLN 141 9.002 3.756 -6.656 1.00 0.00 ATOM 1009 N LEU 142 7.965 4.442 -6.184 1.00 0.00 ATOM 1010 CA LEU 142 6.717 4.525 -6.932 1.00 0.00 ATOM 1011 CB LEU 142 5.640 5.227 -6.102 1.00 0.00 ATOM 1012 CG LEU 142 5.109 4.458 -4.891 1.00 0.00 ATOM 1013 CD1 LEU 142 4.193 5.337 -4.054 1.00 0.00 ATOM 1014 CD2 LEU 142 4.322 3.235 -5.333 1.00 0.00 ATOM 1015 O LEU 142 6.586 4.891 -9.298 1.00 0.00 ATOM 1016 C LEU 142 6.965 5.318 -8.209 1.00 0.00 ATOM 1017 N GLN 143 7.614 6.471 -8.071 1.00 0.00 ATOM 1018 CA GLN 143 7.925 7.305 -9.224 1.00 0.00 ATOM 1019 CB GLN 143 8.849 8.456 -8.818 1.00 0.00 ATOM 1020 CG GLN 143 9.191 9.407 -9.954 1.00 0.00 ATOM 1021 CD GLN 143 10.089 10.545 -9.509 1.00 0.00 ATOM 1022 OE1 GLN 143 10.534 10.586 -8.361 1.00 0.00 ATOM 1023 NE2 GLN 143 10.360 11.474 -10.419 1.00 0.00 ATOM 1024 O GLN 143 8.262 6.475 -11.450 1.00 0.00 ATOM 1025 C GLN 143 8.617 6.445 -10.274 1.00 0.00 ATOM 1026 N LYS 144 9.604 5.672 -9.834 1.00 0.00 ATOM 1027 CA LYS 144 10.348 4.783 -10.722 1.00 0.00 ATOM 1028 CB LYS 144 11.413 4.013 -9.940 1.00 0.00 ATOM 1029 CG LYS 144 12.265 3.090 -10.795 1.00 0.00 ATOM 1030 CD LYS 144 13.346 2.411 -9.968 1.00 0.00 ATOM 1031 CE LYS 144 14.166 1.450 -10.814 1.00 0.00 ATOM 1032 NZ LYS 144 15.215 0.762 -10.012 1.00 0.00 ATOM 1033 O LYS 144 9.416 3.580 -12.582 1.00 0.00 ATOM 1034 C LYS 144 9.392 3.786 -11.366 1.00 0.00 ATOM 1035 N TYR 145 8.554 3.165 -10.540 1.00 0.00 ATOM 1036 CA TYR 145 7.568 2.196 -11.012 1.00 0.00 ATOM 1037 CB TYR 145 6.653 1.762 -9.866 1.00 0.00 ATOM 1038 CG TYR 145 5.563 0.801 -10.284 1.00 0.00 ATOM 1039 CD1 TYR 145 5.829 -0.554 -10.436 1.00 0.00 ATOM 1040 CD2 TYR 145 4.271 1.252 -10.524 1.00 0.00 ATOM 1041 CE1 TYR 145 4.839 -1.439 -10.818 1.00 0.00 ATOM 1042 CE2 TYR 145 3.269 0.382 -10.907 1.00 0.00 ATOM 1043 CZ TYR 145 3.564 -0.974 -11.052 1.00 0.00 ATOM 1044 OH TYR 145 2.576 -1.853 -11.431 1.00 0.00 ATOM 1045 O TYR 145 6.489 2.235 -13.158 1.00 0.00 ATOM 1046 C TYR 145 6.723 2.835 -12.113 1.00 0.00 ATOM 1047 N GLU 146 6.273 4.062 -11.873 1.00 0.00 ATOM 1048 CA GLU 146 5.452 4.786 -12.838 1.00 0.00 ATOM 1049 CB GLU 146 5.045 6.151 -12.278 1.00 0.00 ATOM 1050 CG GLU 146 4.028 6.082 -11.151 1.00 0.00 ATOM 1051 CD GLU 146 2.742 5.397 -11.568 1.00 0.00 ATOM 1052 OE1 GLU 146 2.159 5.802 -12.595 1.00 0.00 ATOM 1053 OE2 GLU 146 2.318 4.453 -10.867 1.00 0.00 ATOM 1054 O GLU 146 5.607 4.986 -15.228 1.00 0.00 ATOM 1055 C GLU 146 6.195 5.022 -14.144 1.00 0.00 ATOM 1056 N GLN 147 7.495 5.268 -14.027 1.00 0.00 ATOM 1057 CA GLN 147 8.332 5.540 -15.186 1.00 0.00 ATOM 1058 CB GLN 147 9.646 6.198 -14.756 1.00 0.00 ATOM 1059 CG GLN 147 9.484 7.606 -14.211 1.00 0.00 ATOM 1060 CD GLN 147 10.797 8.204 -13.744 1.00 0.00 ATOM 1061 OE1 GLN 147 11.824 7.526 -13.718 1.00 0.00 ATOM 1062 NE2 GLN 147 10.767 9.479 -13.374 1.00 0.00 ATOM 1063 O GLN 147 8.608 4.380 -17.257 1.00 0.00 ATOM 1064 C GLN 147 8.748 4.344 -16.033 1.00 0.00 ATOM 1065 N THR 148 9.237 3.279 -15.406 1.00 0.00 ATOM 1066 CA THR 148 9.712 2.148 -16.194 1.00 0.00 ATOM 1067 CB THR 148 11.228 1.937 -16.021 1.00 0.00 ATOM 1068 CG2 THR 148 11.994 3.156 -16.513 1.00 0.00 ATOM 1069 OG1 THR 148 11.529 1.728 -14.636 1.00 0.00 ATOM 1070 O THR 148 9.749 -0.231 -16.383 1.00 0.00 ATOM 1071 C THR 148 9.150 0.751 -15.942 1.00 0.00 TER END