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 4 Wed Jun 21 21:12:55 2006 MODEL 4 PARENT 1yz4_A ATOM 2 N GLU 5 -17.140 14.012 12.858 1.00 0.00 ATOM 3 CA GLU 5 -17.200 13.254 11.615 1.00 0.00 ATOM 4 CB GLU 5 -18.517 13.526 10.884 1.00 0.00 ATOM 5 CG GLU 5 -18.710 12.697 9.625 1.00 0.00 ATOM 6 CD GLU 5 -20.040 12.966 8.950 1.00 0.00 ATOM 7 OE1 GLU 5 -20.814 13.797 9.471 1.00 0.00 ATOM 8 OE2 GLU 5 -20.310 12.347 7.898 1.00 0.00 ATOM 9 O GLU 5 -16.101 14.658 9.988 1.00 0.00 ATOM 10 C GLU 5 -16.045 13.644 10.691 1.00 0.00 ATOM 11 N ALA 6 -14.991 12.832 10.723 1.00 0.00 ATOM 12 CA ALA 6 -13.803 13.029 9.898 1.00 0.00 ATOM 13 CB ALA 6 -12.635 13.495 10.754 1.00 0.00 ATOM 14 O ALA 6 -13.644 10.648 9.934 1.00 0.00 ATOM 15 C ALA 6 -13.510 11.676 9.271 1.00 0.00 ATOM 16 N ALA 7 -13.112 11.664 8.003 1.00 0.00 ATOM 17 CA ALA 7 -12.837 10.401 7.331 1.00 0.00 ATOM 18 CB ALA 7 -12.506 10.641 5.866 1.00 0.00 ATOM 19 O ALA 7 -10.540 9.722 7.462 1.00 0.00 ATOM 20 C ALA 7 -11.658 9.686 7.975 1.00 0.00 ATOM 21 N PRO 8 -11.923 9.038 9.104 1.00 0.00 ATOM 22 CA PRO 8 -10.882 8.325 9.818 1.00 0.00 ATOM 23 CB PRO 8 -9.973 9.434 10.351 1.00 0.00 ATOM 24 CG PRO 8 -10.869 10.618 10.490 1.00 0.00 ATOM 25 CD PRO 8 -11.857 10.526 9.361 1.00 0.00 ATOM 26 O PRO 8 -10.976 7.619 12.100 1.00 0.00 ATOM 27 C PRO 8 -11.412 7.476 10.960 1.00 0.00 ATOM 28 N PRO 9 -12.356 6.592 10.654 1.00 0.00 ATOM 29 CA PRO 9 -12.935 5.702 11.656 1.00 0.00 ATOM 30 CB PRO 9 -14.396 6.147 11.746 1.00 0.00 ATOM 31 CG PRO 9 -14.693 6.729 10.404 1.00 0.00 ATOM 32 CD PRO 9 -13.422 7.392 9.949 1.00 0.00 ATOM 33 O PRO 9 -13.783 3.639 10.764 1.00 0.00 ATOM 34 C PRO 9 -12.816 4.253 11.218 1.00 0.00 ATOM 35 N PRO 10 -11.610 3.717 11.367 1.00 0.00 ATOM 36 CA PRO 10 -11.351 2.351 10.972 1.00 0.00 ATOM 37 CB PRO 10 -12.733 1.696 10.975 1.00 0.00 ATOM 38 CG PRO 10 -13.672 2.803 10.631 1.00 0.00 ATOM 39 CD PRO 10 -13.113 4.041 11.275 1.00 0.00 ATOM 40 O PRO 10 -10.361 3.388 9.049 1.00 0.00 ATOM 41 C PRO 10 -10.715 2.340 9.598 1.00 0.00 ATOM 42 N PHE 11 -10.560 1.152 9.036 1.00 0.00 ATOM 43 CA PHE 11 -9.972 1.034 7.716 1.00 0.00 ATOM 44 CB PHE 11 -10.021 -0.418 7.234 1.00 0.00 ATOM 45 CG PHE 11 -11.411 -0.916 6.954 1.00 0.00 ATOM 46 CD1 PHE 11 -11.958 -0.810 5.688 1.00 0.00 ATOM 47 CD2 PHE 11 -12.171 -1.490 7.958 1.00 0.00 ATOM 48 CE1 PHE 11 -13.236 -1.269 5.430 1.00 0.00 ATOM 49 CE2 PHE 11 -13.450 -1.948 7.700 1.00 0.00 ATOM 50 CZ PHE 11 -13.982 -1.840 6.442 1.00 0.00 ATOM 51 O PHE 11 -11.940 2.166 6.925 1.00 0.00 ATOM 52 C PHE 11 -10.752 1.912 6.739 1.00 0.00 ATOM 53 N ALA 12 -10.076 2.394 5.709 1.00 0.00 ATOM 54 CA ALA 12 -10.733 3.243 4.732 1.00 0.00 ATOM 55 CB ALA 12 -9.917 4.505 4.493 1.00 0.00 ATOM 56 O ALA 12 -9.943 1.852 2.944 1.00 0.00 ATOM 57 C ALA 12 -10.882 2.499 3.412 1.00 0.00 ATOM 58 N ARG 13 -12.078 2.575 2.833 1.00 0.00 ATOM 59 CA ARG 13 -12.364 1.921 1.562 1.00 0.00 ATOM 60 CB ARG 13 -13.867 1.940 1.276 1.00 0.00 ATOM 61 CG ARG 13 -14.270 1.184 0.022 1.00 0.00 ATOM 62 CD ARG 13 -15.771 1.244 -0.202 1.00 0.00 ATOM 63 NE ARG 13 -16.509 0.523 0.832 1.00 0.00 ATOM 64 CZ ARG 13 -16.688 -0.794 0.841 1.00 0.00 ATOM 65 NH1 ARG 13 -17.373 -1.364 1.822 1.00 0.00 ATOM 66 NH2 ARG 13 -16.182 -1.538 -0.133 1.00 0.00 ATOM 67 O ARG 13 -11.791 3.894 0.316 1.00 0.00 ATOM 68 C ARG 13 -11.623 2.681 0.471 1.00 0.00 ATOM 69 N VAL 14 -10.785 1.966 -0.270 1.00 0.00 ATOM 70 CA VAL 14 -10.001 2.565 -1.342 1.00 0.00 ATOM 71 CB VAL 14 -8.561 2.018 -1.363 1.00 0.00 ATOM 72 CG1 VAL 14 -7.817 2.525 -2.588 1.00 0.00 ATOM 73 CG2 VAL 14 -7.804 2.464 -0.120 1.00 0.00 ATOM 74 O VAL 14 -10.555 3.038 -3.626 1.00 0.00 ATOM 75 C VAL 14 -10.645 2.260 -2.682 1.00 0.00 ATOM 76 N ALA 15 -11.312 1.117 -2.742 1.00 0.00 ATOM 77 CA ALA 15 -11.966 0.660 -3.955 1.00 0.00 ATOM 78 CB ALA 15 -10.932 0.215 -4.979 1.00 0.00 ATOM 79 O ALA 15 -12.560 -1.150 -2.508 1.00 0.00 ATOM 80 C ALA 15 -12.844 -0.505 -3.518 1.00 0.00 ATOM 81 N PRO 16 -13.929 -0.779 -4.256 1.00 0.00 ATOM 82 CA PRO 16 -14.792 -1.903 -3.872 1.00 0.00 ATOM 83 CB PRO 16 -15.740 -2.065 -5.063 1.00 0.00 ATOM 84 CG PRO 16 -15.832 -0.698 -5.656 1.00 0.00 ATOM 85 CD PRO 16 -14.453 -0.108 -5.556 1.00 0.00 ATOM 86 O PRO 16 -13.115 -3.497 -4.542 1.00 0.00 ATOM 87 C PRO 16 -13.894 -3.129 -3.656 1.00 0.00 ATOM 88 N ALA 17 -13.981 -3.730 -2.472 1.00 0.00 ATOM 89 CA ALA 17 -13.170 -4.894 -2.166 1.00 0.00 ATOM 90 CB ALA 17 -13.036 -5.785 -3.393 1.00 0.00 ATOM 91 O ALA 17 -10.970 -5.573 -1.516 1.00 0.00 ATOM 92 C ALA 17 -11.738 -4.624 -1.706 1.00 0.00 ATOM 93 N LEU 18 -11.369 -3.358 -1.507 1.00 0.00 ATOM 94 CA LEU 18 -10.006 -3.022 -1.069 1.00 0.00 ATOM 95 CB LEU 18 -9.186 -2.477 -2.240 1.00 0.00 ATOM 96 CG LEU 18 -7.762 -2.021 -1.916 1.00 0.00 ATOM 97 CD1 LEU 18 -6.900 -3.201 -1.498 1.00 0.00 ATOM 98 CD2 LEU 18 -7.118 -1.367 -3.129 1.00 0.00 ATOM 99 O LEU 18 -10.587 -0.906 -0.092 1.00 0.00 ATOM 100 C LEU 18 -9.968 -1.962 0.034 1.00 0.00 ATOM 101 N PHE 19 -9.228 -2.230 1.109 1.00 0.00 ATOM 102 CA PHE 19 -9.141 -1.284 2.219 1.00 0.00 ATOM 103 CB PHE 19 -9.964 -1.778 3.411 1.00 0.00 ATOM 104 CG PHE 19 -11.427 -1.943 3.110 1.00 0.00 ATOM 105 CD1 PHE 19 -11.930 -3.166 2.702 1.00 0.00 ATOM 106 CD2 PHE 19 -12.297 -0.876 3.238 1.00 0.00 ATOM 107 CE1 PHE 19 -13.276 -3.317 2.426 1.00 0.00 ATOM 108 CE2 PHE 19 -13.644 -1.028 2.961 1.00 0.00 ATOM 109 CZ PHE 19 -14.133 -2.241 2.557 1.00 0.00 ATOM 110 O PHE 19 -6.836 -1.879 2.593 1.00 0.00 ATOM 111 C PHE 19 -7.732 -1.045 2.749 1.00 0.00 ATOM 112 N ILE 20 -7.564 0.109 3.394 1.00 0.00 ATOM 113 CA ILE 20 -6.300 0.512 3.999 1.00 0.00 ATOM 114 CB ILE 20 -5.809 1.859 3.436 1.00 0.00 ATOM 115 CG1 ILE 20 -5.566 1.750 1.928 1.00 0.00 ATOM 116 CG2 ILE 20 -4.507 2.274 4.104 1.00 0.00 ATOM 117 CD1 ILE 20 -5.326 3.080 1.250 1.00 0.00 ATOM 118 O ILE 20 -7.555 1.139 5.937 1.00 0.00 ATOM 119 C ILE 20 -6.515 0.647 5.497 1.00 0.00 ATOM 120 N GLY 21 -5.542 0.206 6.286 1.00 0.00 ATOM 121 CA GLY 21 -5.690 0.310 7.725 1.00 0.00 ATOM 122 O GLY 21 -3.318 0.050 7.954 1.00 0.00 ATOM 123 C GLY 21 -4.397 0.223 8.515 1.00 0.00 ATOM 124 N ASN 22 -4.524 0.351 9.829 1.00 0.00 ATOM 125 CA ASN 22 -3.397 0.293 10.744 1.00 0.00 ATOM 126 CB ASN 22 -3.396 1.511 11.670 1.00 0.00 ATOM 127 CG ASN 22 -4.590 1.534 12.603 1.00 0.00 ATOM 128 ND2 ASN 22 -4.782 2.656 13.289 1.00 0.00 ATOM 129 OD1 ASN 22 -5.330 0.554 12.706 1.00 0.00 ATOM 130 O ASN 22 -4.486 -1.739 11.418 1.00 0.00 ATOM 131 C ASN 22 -3.522 -0.983 11.575 1.00 0.00 ATOM 132 N ALA 23 -2.564 -1.201 12.475 1.00 0.00 ATOM 133 CA ALA 23 -2.543 -2.394 13.322 1.00 0.00 ATOM 134 CB ALA 23 -1.378 -2.331 14.298 1.00 0.00 ATOM 135 O ALA 23 -4.180 -3.705 14.495 1.00 0.00 ATOM 136 C ALA 23 -3.809 -2.580 14.160 1.00 0.00 ATOM 137 N ARG 24 -4.472 -1.483 14.500 1.00 0.00 ATOM 138 CA ARG 24 -5.700 -1.564 15.280 1.00 0.00 ATOM 139 CB ARG 24 -6.070 -0.191 15.839 1.00 0.00 ATOM 140 CG ARG 24 -5.154 0.296 16.950 1.00 0.00 ATOM 141 CD ARG 24 -5.531 1.697 17.404 1.00 0.00 ATOM 142 NE ARG 24 -4.656 2.181 18.468 1.00 0.00 ATOM 143 CZ ARG 24 -4.718 3.402 18.990 1.00 0.00 ATOM 144 NH1 ARG 24 -3.881 3.755 19.956 1.00 0.00 ATOM 145 NH2 ARG 24 -5.619 4.267 18.544 1.00 0.00 ATOM 146 O ARG 24 -7.648 -2.901 14.865 1.00 0.00 ATOM 147 C ARG 24 -6.867 -2.058 14.424 1.00 0.00 ATOM 148 N ALA 25 -6.986 -1.545 13.203 1.00 0.00 ATOM 149 CA ALA 25 -8.063 -1.978 12.312 1.00 0.00 ATOM 150 CB ALA 25 -8.033 -1.183 11.016 1.00 0.00 ATOM 151 O ALA 25 -8.892 -4.202 11.854 1.00 0.00 ATOM 152 C ALA 25 -7.909 -3.468 11.976 1.00 0.00 ATOM 153 N ALA 26 -6.661 -3.902 11.831 1.00 0.00 ATOM 154 CA ALA 26 -6.344 -5.285 11.500 1.00 0.00 ATOM 155 CB ALA 26 -4.838 -5.474 11.397 1.00 0.00 ATOM 156 O ALA 26 -6.991 -7.481 12.211 1.00 0.00 ATOM 157 C ALA 26 -6.845 -6.300 12.531 1.00 0.00 ATOM 158 N GLY 27 -7.098 -5.839 13.757 1.00 0.00 ATOM 159 CA GLY 27 -7.569 -6.711 14.841 1.00 0.00 ATOM 160 O GLY 27 -9.596 -7.130 16.036 1.00 0.00 ATOM 161 C GLY 27 -9.011 -6.425 15.216 1.00 0.00 ATOM 162 N ALA 28 -9.578 -5.380 14.631 1.00 0.00 ATOM 163 CA ALA 28 -10.950 -4.993 14.925 1.00 0.00 ATOM 164 CB ALA 28 -11.232 -3.594 14.396 1.00 0.00 ATOM 165 O ALA 28 -12.377 -5.763 13.134 1.00 0.00 ATOM 166 C ALA 28 -11.968 -5.948 14.283 1.00 0.00 ATOM 167 N THR 29 -12.376 -6.962 15.042 1.00 0.00 ATOM 168 CA THR 29 -13.338 -7.961 14.577 1.00 0.00 ATOM 169 CB THR 29 -13.734 -8.932 15.704 1.00 0.00 ATOM 170 CG2 THR 29 -14.754 -9.942 15.202 1.00 0.00 ATOM 171 OG1 THR 29 -12.572 -9.634 16.163 1.00 0.00 ATOM 172 O THR 29 -15.242 -7.845 13.131 1.00 0.00 ATOM 173 C THR 29 -14.626 -7.339 14.062 1.00 0.00 ATOM 174 N GLU 30 -15.044 -6.251 14.696 1.00 0.00 ATOM 175 CA GLU 30 -16.257 -5.572 14.292 1.00 0.00 ATOM 176 CB GLU 30 -16.594 -4.446 15.271 1.00 0.00 ATOM 177 CG GLU 30 -17.046 -4.929 16.639 1.00 0.00 ATOM 178 CD GLU 30 -17.253 -3.791 17.619 1.00 0.00 ATOM 179 OE1 GLU 30 -16.972 -2.631 17.251 1.00 0.00 ATOM 180 OE2 GLU 30 -17.695 -4.059 18.757 1.00 0.00 ATOM 181 O GLU 30 -16.929 -5.104 12.031 1.00 0.00 ATOM 182 C GLU 30 -16.062 -4.979 12.898 1.00 0.00 ATOM 183 N LEU 31 -14.915 -4.339 12.688 1.00 0.00 ATOM 184 CA LEU 31 -14.605 -3.737 11.397 1.00 0.00 ATOM 185 CB LEU 31 -13.292 -2.958 11.471 1.00 0.00 ATOM 186 CG LEU 31 -12.831 -2.280 10.178 1.00 0.00 ATOM 187 CD1 LEU 31 -13.856 -1.256 9.714 1.00 0.00 ATOM 188 CD2 LEU 31 -11.506 -1.564 10.389 1.00 0.00 ATOM 189 O LEU 31 -15.039 -4.738 9.264 1.00 0.00 ATOM 190 C LEU 31 -14.474 -4.832 10.354 1.00 0.00 ATOM 191 N LEU 32 -13.726 -5.872 10.705 1.00 0.00 ATOM 192 CA LEU 32 -13.497 -6.997 9.811 1.00 0.00 ATOM 193 CB LEU 32 -12.684 -8.084 10.516 1.00 0.00 ATOM 194 CG LEU 32 -11.221 -7.748 10.816 1.00 0.00 ATOM 195 CD1 LEU 32 -10.585 -8.832 11.672 1.00 0.00 ATOM 196 CD2 LEU 32 -10.422 -7.630 9.527 1.00 0.00 ATOM 197 O LEU 32 -14.928 -7.998 8.164 1.00 0.00 ATOM 198 C LEU 32 -14.796 -7.636 9.338 1.00 0.00 ATOM 199 N VAL 33 -15.755 -7.771 10.251 1.00 0.00 ATOM 200 CA VAL 33 -17.032 -8.368 9.904 1.00 0.00 ATOM 201 CB VAL 33 -17.830 -8.765 11.161 1.00 0.00 ATOM 202 CG1 VAL 33 -19.214 -9.263 10.777 1.00 0.00 ATOM 203 CG2 VAL 33 -17.113 -9.873 11.916 1.00 0.00 ATOM 204 O VAL 33 -18.505 -7.782 8.109 1.00 0.00 ATOM 205 C VAL 33 -17.889 -7.408 9.106 1.00 0.00 ATOM 206 N ARG 34 -17.920 -6.161 9.557 1.00 0.00 ATOM 207 CA ARG 34 -18.687 -5.118 8.894 1.00 0.00 ATOM 208 CB ARG 34 -18.421 -3.760 9.547 1.00 0.00 ATOM 209 CG ARG 34 -19.263 -2.627 8.987 1.00 0.00 ATOM 210 CD ARG 34 -18.859 -1.290 9.587 1.00 0.00 ATOM 211 NE ARG 34 -17.510 -0.896 9.188 1.00 0.00 ATOM 212 CZ ARG 34 -17.202 -0.379 8.004 1.00 0.00 ATOM 213 NH1 ARG 34 -15.947 -0.051 7.729 1.00 0.00 ATOM 214 NH2 ARG 34 -18.150 -0.190 7.096 1.00 0.00 ATOM 215 O ARG 34 -19.162 -4.998 6.542 1.00 0.00 ATOM 216 C ARG 34 -18.296 -5.034 7.419 1.00 0.00 ATOM 217 N ALA 35 -16.990 -5.014 7.153 1.00 0.00 ATOM 218 CA ALA 35 -16.487 -4.924 5.786 1.00 0.00 ATOM 219 CB ALA 35 -15.158 -4.185 5.758 1.00 0.00 ATOM 220 O ALA 35 -15.619 -6.332 4.032 1.00 0.00 ATOM 221 C ALA 35 -16.239 -6.274 5.099 1.00 0.00 ATOM 222 N GLY 36 -16.727 -7.352 5.710 1.00 0.00 ATOM 223 CA GLY 36 -16.577 -8.695 5.147 1.00 0.00 ATOM 224 O GLY 36 -14.994 -9.557 3.553 1.00 0.00 ATOM 225 C GLY 36 -15.166 -8.962 4.622 1.00 0.00 ATOM 226 N ILE 37 -14.160 -8.517 5.366 1.00 0.00 ATOM 227 CA ILE 37 -12.770 -8.723 4.972 1.00 0.00 ATOM 228 CB ILE 37 -11.798 -8.030 5.945 1.00 0.00 ATOM 229 CG1 ILE 37 -11.980 -6.512 5.890 1.00 0.00 ATOM 230 CG2 ILE 37 -10.358 -8.356 5.583 1.00 0.00 ATOM 231 CD1 ILE 37 -11.223 -5.765 6.967 1.00 0.00 ATOM 232 O ILE 37 -12.564 -10.893 5.968 1.00 0.00 ATOM 233 C ILE 37 -12.428 -10.209 4.954 1.00 0.00 ATOM 234 N THR 38 -11.989 -10.705 3.799 1.00 0.00 ATOM 235 CA THR 38 -11.626 -12.118 3.661 1.00 0.00 ATOM 236 CB THR 38 -12.352 -12.773 2.471 1.00 0.00 ATOM 237 CG2 THR 38 -13.859 -12.678 2.647 1.00 0.00 ATOM 238 OG1 THR 38 -11.983 -12.106 1.258 1.00 0.00 ATOM 239 O THR 38 -9.615 -13.416 3.540 1.00 0.00 ATOM 240 C THR 38 -10.134 -12.307 3.434 1.00 0.00 ATOM 241 N LEU 39 -9.450 -11.217 3.105 1.00 0.00 ATOM 242 CA LEU 39 -8.016 -11.266 2.848 1.00 0.00 ATOM 243 CB LEU 39 -7.741 -11.265 1.343 1.00 0.00 ATOM 244 CG LEU 39 -6.271 -11.222 0.923 1.00 0.00 ATOM 245 CD1 LEU 39 -5.573 -12.527 1.275 1.00 0.00 ATOM 246 CD2 LEU 39 -6.146 -11.005 -0.577 1.00 0.00 ATOM 247 O LEU 39 -7.843 -8.970 3.503 1.00 0.00 ATOM 248 C LEU 39 -7.306 -10.074 3.455 1.00 0.00 ATOM 249 N CYS 40 -6.083 -10.305 3.900 1.00 0.00 ATOM 250 CA CYS 40 -5.296 -9.259 4.517 1.00 0.00 ATOM 251 CB CYS 40 -5.415 -9.327 6.042 1.00 0.00 ATOM 252 SG CYS 40 -7.080 -9.023 6.674 1.00 0.00 ATOM 253 O CYS 40 -3.312 -10.518 4.041 1.00 0.00 ATOM 254 C CYS 40 -3.839 -9.409 4.142 1.00 0.00 ATOM 255 N VAL 41 -3.195 -8.276 3.918 1.00 0.00 ATOM 256 CA VAL 41 -1.783 -8.266 3.618 1.00 0.00 ATOM 257 CB VAL 41 -1.492 -7.533 2.295 1.00 0.00 ATOM 258 CG1 VAL 41 0.003 -7.504 2.021 1.00 0.00 ATOM 259 CG2 VAL 41 -2.181 -8.234 1.134 1.00 0.00 ATOM 260 O VAL 41 -1.554 -6.386 5.068 1.00 0.00 ATOM 261 C VAL 41 -1.205 -7.538 4.814 1.00 0.00 ATOM 262 N ASN 42 -0.366 -8.223 5.579 1.00 0.00 ATOM 263 CA ASN 42 0.255 -7.605 6.734 1.00 0.00 ATOM 264 CB ASN 42 0.262 -8.571 7.921 1.00 0.00 ATOM 265 CG ASN 42 0.951 -7.991 9.140 1.00 0.00 ATOM 266 ND2 ASN 42 1.365 -8.862 10.054 1.00 0.00 ATOM 267 OD1 ASN 42 1.109 -6.776 9.256 1.00 0.00 ATOM 268 O ASN 42 2.514 -8.085 6.059 1.00 0.00 ATOM 269 C ASN 42 1.691 -7.226 6.394 1.00 0.00 ATOM 270 N VAL 43 1.976 -5.933 6.463 1.00 0.00 ATOM 271 CA VAL 43 3.308 -5.422 6.199 1.00 0.00 ATOM 272 CB VAL 43 3.271 -4.224 5.232 1.00 0.00 ATOM 273 CG1 VAL 43 4.678 -3.719 4.955 1.00 0.00 ATOM 274 CG2 VAL 43 2.636 -4.625 3.910 1.00 0.00 ATOM 275 O VAL 43 3.669 -3.860 7.989 1.00 0.00 ATOM 276 C VAL 43 3.838 -5.005 7.562 1.00 0.00 ATOM 277 N SER 44 4.463 -5.955 8.249 1.00 0.00 ATOM 278 CA SER 44 4.992 -5.723 9.584 1.00 0.00 ATOM 279 CB SER 44 4.020 -6.246 10.644 1.00 0.00 ATOM 280 OG SER 44 3.877 -7.653 10.556 1.00 0.00 ATOM 281 O SER 44 6.474 -7.528 9.115 1.00 0.00 ATOM 282 C SER 44 6.317 -6.459 9.697 1.00 0.00 ATOM 283 N ARG 45 7.263 -5.898 10.446 1.00 0.00 ATOM 284 CA ARG 45 8.574 -6.530 10.604 1.00 0.00 ATOM 285 CB ARG 45 9.463 -5.694 11.528 1.00 0.00 ATOM 286 CG ARG 45 9.913 -4.372 10.928 1.00 0.00 ATOM 287 CD ARG 45 11.020 -3.740 11.754 1.00 0.00 ATOM 288 NE ARG 45 10.560 -3.359 13.087 1.00 0.00 ATOM 289 CZ ARG 45 9.982 -2.197 13.375 1.00 0.00 ATOM 290 NH1 ARG 45 9.596 -1.939 14.617 1.00 0.00 ATOM 291 NH2 ARG 45 9.795 -1.296 12.421 1.00 0.00 ATOM 292 O ARG 45 9.331 -8.784 10.851 1.00 0.00 ATOM 293 C ARG 45 8.519 -7.933 11.204 1.00 0.00 ATOM 294 N GLN 47 7.570 -8.169 12.105 1.00 0.00 ATOM 295 CA GLN 47 7.453 -9.460 12.775 1.00 0.00 ATOM 296 CB GLN 47 7.622 -9.295 14.288 1.00 0.00 ATOM 297 CG GLN 47 8.985 -8.772 14.707 1.00 0.00 ATOM 298 CD GLN 47 9.116 -8.626 16.211 1.00 0.00 ATOM 299 OE1 GLN 47 8.157 -8.846 16.951 1.00 0.00 ATOM 300 NE2 GLN 47 10.306 -8.251 16.666 1.00 0.00 ATOM 301 O GLN 47 5.092 -9.525 12.337 1.00 0.00 ATOM 302 C GLN 47 6.114 -10.165 12.570 1.00 0.00 ATOM 303 N PRO 48 6.109 -11.508 12.665 1.00 0.00 ATOM 304 CA PRO 48 4.905 -12.332 12.497 1.00 0.00 ATOM 305 CB PRO 48 5.429 -13.768 12.545 1.00 0.00 ATOM 306 CG PRO 48 6.693 -13.678 13.332 1.00 0.00 ATOM 307 CD PRO 48 7.288 -12.335 13.015 1.00 0.00 ATOM 308 O PRO 48 4.291 -11.846 14.765 1.00 0.00 ATOM 309 C PRO 48 3.903 -12.061 13.618 1.00 0.00 ATOM 310 N GLY 49 2.619 -12.078 13.288 1.00 0.00 ATOM 311 CA GLY 49 1.579 -11.815 14.274 1.00 0.00 ATOM 312 O GLY 49 0.251 -13.481 13.178 1.00 0.00 ATOM 313 C GLY 49 0.505 -12.892 14.228 1.00 0.00 ATOM 314 N PRO 50 -0.146 -13.162 15.372 1.00 0.00 ATOM 315 CA PRO 50 -1.197 -14.184 15.405 1.00 0.00 ATOM 316 CB PRO 50 -1.798 -14.053 16.806 1.00 0.00 ATOM 317 CG PRO 50 -0.682 -13.520 17.642 1.00 0.00 ATOM 318 CD PRO 50 0.056 -12.538 16.775 1.00 0.00 ATOM 319 O PRO 50 -2.645 -12.735 14.161 1.00 0.00 ATOM 320 C PRO 50 -2.212 -13.877 14.304 1.00 0.00 ATOM 321 N ARG 51 -2.582 -14.890 13.526 1.00 0.00 ATOM 322 CA ARG 51 -3.531 -14.694 12.437 1.00 0.00 ATOM 323 CB ARG 51 -3.137 -15.540 11.225 1.00 0.00 ATOM 324 CG ARG 51 -1.823 -15.127 10.580 1.00 0.00 ATOM 325 CD ARG 51 -1.513 -15.980 9.361 1.00 0.00 ATOM 326 NE ARG 51 -0.189 -15.691 8.813 1.00 0.00 ATOM 327 CZ ARG 51 0.320 -16.285 7.739 1.00 0.00 ATOM 328 NH1 ARG 51 1.531 -15.959 7.313 1.00 0.00 ATOM 329 NH2 ARG 51 -0.386 -17.205 7.093 1.00 0.00 ATOM 330 O ARG 51 -5.191 -16.132 13.401 1.00 0.00 ATOM 331 C ARG 51 -4.958 -15.083 12.808 1.00 0.00 ATOM 332 N ALA 52 -5.909 -14.233 12.436 1.00 0.00 ATOM 333 CA ALA 52 -7.323 -14.468 12.722 1.00 0.00 ATOM 334 CB ALA 52 -8.125 -13.193 12.513 1.00 0.00 ATOM 335 O ALA 52 -7.579 -15.624 10.637 1.00 0.00 ATOM 336 C ALA 52 -7.914 -15.542 11.816 1.00 0.00 ATOM 337 N PRO 53 -8.800 -16.358 12.373 1.00 0.00 ATOM 338 CA PRO 53 -9.428 -17.432 11.611 1.00 0.00 ATOM 339 CB PRO 53 -10.236 -18.203 12.656 1.00 0.00 ATOM 340 CG PRO 53 -10.545 -17.194 13.711 1.00 0.00 ATOM 341 CD PRO 53 -9.351 -16.283 13.777 1.00 0.00 ATOM 342 O PRO 53 -10.928 -15.854 10.604 1.00 0.00 ATOM 343 C PRO 53 -10.332 -16.928 10.504 1.00 0.00 ATOM 344 N GLY 54 -10.430 -17.728 9.448 1.00 0.00 ATOM 345 CA GLY 54 -11.281 -17.420 8.312 1.00 0.00 ATOM 346 O GLY 54 -11.614 -15.534 6.865 1.00 0.00 ATOM 347 C GLY 54 -10.808 -16.228 7.493 1.00 0.00 ATOM 348 N VAL 55 -9.500 -15.988 7.516 1.00 0.00 ATOM 349 CA VAL 55 -8.904 -14.906 6.741 1.00 0.00 ATOM 350 CB VAL 55 -8.606 -13.678 7.622 1.00 0.00 ATOM 351 CG1 VAL 55 -7.950 -12.580 6.799 1.00 0.00 ATOM 352 CG2 VAL 55 -9.891 -13.126 8.219 1.00 0.00 ATOM 353 O VAL 55 -6.810 -16.081 6.798 1.00 0.00 ATOM 354 C VAL 55 -7.599 -15.410 6.136 1.00 0.00 ATOM 355 N ALA 56 -7.382 -15.103 4.866 1.00 0.00 ATOM 356 CA ALA 56 -6.168 -15.531 4.191 1.00 0.00 ATOM 357 CB ALA 56 -6.459 -15.851 2.734 1.00 0.00 ATOM 358 O ALA 56 -5.392 -13.298 3.794 1.00 0.00 ATOM 359 C ALA 56 -5.146 -14.404 4.268 1.00 0.00 ATOM 360 N GLU 57 -4.003 -14.691 4.876 1.00 0.00 ATOM 361 CA GLU 57 -2.967 -13.685 5.033 1.00 0.00 ATOM 362 CB GLU 57 -2.364 -13.753 6.437 1.00 0.00 ATOM 363 CG GLU 57 -3.356 -13.475 7.554 1.00 0.00 ATOM 364 CD GLU 57 -3.979 -12.096 7.449 1.00 0.00 ATOM 365 OE1 GLU 57 -3.222 -11.104 7.403 1.00 0.00 ATOM 366 OE2 GLU 57 -5.225 -12.010 7.415 1.00 0.00 ATOM 367 O GLU 57 -1.470 -14.871 3.565 1.00 0.00 ATOM 368 C GLU 57 -1.801 -13.799 4.077 1.00 0.00 ATOM 369 N LEU 58 -1.172 -12.657 3.865 1.00 0.00 ATOM 370 CA LEU 58 0.008 -12.563 3.044 1.00 0.00 ATOM 371 CB LEU 58 -0.315 -11.873 1.718 1.00 0.00 ATOM 372 CG LEU 58 0.860 -11.657 0.761 1.00 0.00 ATOM 373 CD1 LEU 58 1.426 -12.990 0.296 1.00 0.00 ATOM 374 CD2 LEU 58 0.418 -10.873 -0.465 1.00 0.00 ATOM 375 O LEU 58 0.589 -10.595 4.293 1.00 0.00 ATOM 376 C LEU 58 0.916 -11.737 3.948 1.00 0.00 ATOM 377 N ARG 59 2.030 -12.325 4.367 1.00 0.00 ATOM 378 CA ARG 59 2.964 -11.625 5.236 1.00 0.00 ATOM 379 CB ARG 59 3.584 -12.591 6.247 1.00 0.00 ATOM 380 CG ARG 59 4.464 -11.921 7.290 1.00 0.00 ATOM 381 CD ARG 59 4.930 -12.915 8.341 1.00 0.00 ATOM 382 NE ARG 59 5.832 -13.919 7.782 1.00 0.00 ATOM 383 CZ ARG 59 6.290 -14.969 8.457 1.00 0.00 ATOM 384 NH1 ARG 59 7.108 -15.830 7.867 1.00 0.00 ATOM 385 NH2 ARG 59 5.928 -15.156 9.718 1.00 0.00 ATOM 386 O ARG 59 4.783 -11.639 3.668 1.00 0.00 ATOM 387 C ARG 59 4.104 -10.982 4.459 1.00 0.00 ATOM 388 N VAL 60 4.288 -9.687 4.690 1.00 0.00 ATOM 389 CA VAL 60 5.334 -8.903 4.048 1.00 0.00 ATOM 390 CB VAL 60 4.743 -7.838 3.105 1.00 0.00 ATOM 391 CG1 VAL 60 5.854 -7.034 2.448 1.00 0.00 ATOM 392 CG2 VAL 60 3.914 -8.495 2.013 1.00 0.00 ATOM 393 O VAL 60 5.738 -7.168 5.666 1.00 0.00 ATOM 394 C VAL 60 6.125 -8.226 5.173 1.00 0.00 ATOM 395 N PRO 61 7.245 -8.841 5.586 1.00 0.00 ATOM 396 CA PRO 61 8.133 -8.368 6.654 1.00 0.00 ATOM 397 CB PRO 61 8.988 -9.591 6.993 1.00 0.00 ATOM 398 CG PRO 61 9.090 -10.344 5.710 1.00 0.00 ATOM 399 CD PRO 61 7.764 -10.177 5.021 1.00 0.00 ATOM 400 O PRO 61 10.198 -7.389 5.965 1.00 0.00 ATOM 401 C PRO 61 9.014 -7.208 6.233 1.00 0.00 ATOM 402 N VAL 62 8.442 -6.014 6.201 1.00 0.00 ATOM 403 CA VAL 62 9.183 -4.834 5.783 1.00 0.00 ATOM 404 CB VAL 62 8.728 -4.344 4.395 1.00 0.00 ATOM 405 CG1 VAL 62 9.483 -3.083 4.003 1.00 0.00 ATOM 406 CG2 VAL 62 8.992 -5.410 3.342 1.00 0.00 ATOM 407 O VAL 62 7.891 -3.406 7.217 1.00 0.00 ATOM 408 C VAL 62 8.999 -3.671 6.750 1.00 0.00 ATOM 409 N PHE 63 10.095 -2.982 7.039 1.00 0.00 ATOM 410 CA PHE 63 10.071 -1.839 7.939 1.00 0.00 ATOM 411 CB PHE 63 11.420 -1.684 8.644 1.00 0.00 ATOM 412 CG PHE 63 12.558 -1.376 7.713 1.00 0.00 ATOM 413 CD1 PHE 63 12.867 -0.070 7.381 1.00 0.00 ATOM 414 CD2 PHE 63 13.321 -2.396 7.169 1.00 0.00 ATOM 415 CE1 PHE 63 13.915 0.212 6.524 1.00 0.00 ATOM 416 CE2 PHE 63 14.367 -2.115 6.313 1.00 0.00 ATOM 417 CZ PHE 63 14.666 -0.818 5.990 1.00 0.00 ATOM 418 O PHE 63 9.917 -0.529 5.928 1.00 0.00 ATOM 419 C PHE 63 9.779 -0.558 7.152 1.00 0.00 ATOM 420 N ASP 64 9.369 0.499 7.845 1.00 0.00 ATOM 421 CA ASP 64 9.093 1.754 7.166 1.00 0.00 ATOM 422 CB ASP 64 7.972 2.514 7.879 1.00 0.00 ATOM 423 CG ASP 64 7.526 3.745 7.116 1.00 0.00 ATOM 424 OD1 ASP 64 8.053 3.981 6.008 1.00 0.00 ATOM 425 OD2 ASP 64 6.647 4.473 7.623 1.00 0.00 ATOM 426 O ASP 64 10.457 3.559 7.966 1.00 0.00 ATOM 427 C ASP 64 10.308 2.676 7.119 1.00 0.00 ATOM 428 N ASP 65 11.186 2.448 6.143 1.00 0.00 ATOM 429 CA ASP 65 12.372 3.279 5.947 1.00 0.00 ATOM 430 CB ASP 65 13.606 2.600 6.545 1.00 0.00 ATOM 431 CG ASP 65 14.848 3.468 6.458 1.00 0.00 ATOM 432 OD1 ASP 65 14.906 4.492 7.170 1.00 0.00 ATOM 433 OD2 ASP 65 15.761 3.123 5.678 1.00 0.00 ATOM 434 O ASP 65 12.266 2.506 3.681 1.00 0.00 ATOM 435 C ASP 65 12.518 3.441 4.444 1.00 0.00 ATOM 436 N PRO 66 12.922 4.634 3.991 1.00 0.00 ATOM 437 CA PRO 66 13.078 4.885 2.556 1.00 0.00 ATOM 438 CB PRO 66 13.548 6.339 2.483 1.00 0.00 ATOM 439 CG PRO 66 14.212 6.583 3.797 1.00 0.00 ATOM 440 CD PRO 66 13.430 5.796 4.812 1.00 0.00 ATOM 441 O PRO 66 14.068 3.996 0.569 1.00 0.00 ATOM 442 C PRO 66 14.072 4.012 1.799 1.00 0.00 ATOM 443 N ALA 67 14.910 3.274 2.520 1.00 0.00 ATOM 444 CA ALA 67 15.896 2.416 1.866 1.00 0.00 ATOM 445 CB ALA 67 17.134 2.271 2.738 1.00 0.00 ATOM 446 O ALA 67 15.958 0.262 0.780 1.00 0.00 ATOM 447 C ALA 67 15.383 1.001 1.584 1.00 0.00 ATOM 448 N GLU 68 14.301 0.631 2.250 1.00 0.00 ATOM 449 CA GLU 68 13.718 -0.686 2.073 1.00 0.00 ATOM 450 CB GLU 68 12.661 -0.951 3.147 1.00 0.00 ATOM 451 CG GLU 68 12.063 -2.349 3.097 1.00 0.00 ATOM 452 CD GLU 68 13.098 -3.433 3.329 1.00 0.00 ATOM 453 OE1 GLU 68 13.825 -3.353 4.341 1.00 0.00 ATOM 454 OE2 GLU 68 13.180 -4.362 2.498 1.00 0.00 ATOM 455 O GLU 68 12.178 -0.040 0.351 1.00 0.00 ATOM 456 C GLU 68 13.047 -0.826 0.712 1.00 0.00 ATOM 457 N ASP 69 13.443 -1.843 -0.061 1.00 0.00 ATOM 458 CA ASP 69 12.859 -2.058 -1.386 1.00 0.00 ATOM 459 CB ASP 69 13.803 -2.888 -2.260 1.00 0.00 ATOM 460 CG ASP 69 13.337 -2.976 -3.699 1.00 0.00 ATOM 461 OD1 ASP 69 12.365 -2.277 -4.054 1.00 0.00 ATOM 462 OD2 ASP 69 13.944 -3.745 -4.475 1.00 0.00 ATOM 463 O ASP 69 11.466 -3.953 -1.798 1.00 0.00 ATOM 464 C ASP 69 11.522 -2.798 -1.386 1.00 0.00 ATOM 465 N LEU 70 10.451 -2.139 -0.933 1.00 0.00 ATOM 466 CA LEU 70 9.129 -2.778 -0.921 1.00 0.00 ATOM 467 CB LEU 70 8.091 -1.850 -0.289 1.00 0.00 ATOM 468 CG LEU 70 6.713 -2.458 -0.019 1.00 0.00 ATOM 469 CD1 LEU 70 6.823 -3.637 0.934 1.00 0.00 ATOM 470 CD2 LEU 70 5.784 -1.426 0.606 1.00 0.00 ATOM 471 O LEU 70 7.791 -3.896 -2.551 1.00 0.00 ATOM 472 C LEU 70 8.701 -3.095 -2.341 1.00 0.00 ATOM 473 N LEU 71 9.349 -2.455 -3.311 1.00 0.00 ATOM 474 CA LEU 71 9.016 -2.670 -4.715 1.00 0.00 ATOM 475 CB LEU 71 9.908 -1.813 -5.615 1.00 0.00 ATOM 476 CG LEU 71 9.538 -1.775 -7.098 1.00 0.00 ATOM 477 CD1 LEU 71 8.134 -1.221 -7.287 1.00 0.00 ATOM 478 CD2 LEU 71 10.505 -0.892 -7.871 1.00 0.00 ATOM 479 O LEU 71 8.644 -4.595 -6.080 1.00 0.00 ATOM 480 C LEU 71 9.212 -4.126 -5.097 1.00 0.00 ATOM 481 N THR 72 10.013 -4.842 -4.315 1.00 0.00 ATOM 482 CA THR 72 10.246 -6.249 -4.594 1.00 0.00 ATOM 483 CB THR 72 11.420 -6.802 -3.764 1.00 0.00 ATOM 484 CG2 THR 72 12.701 -6.046 -4.083 1.00 0.00 ATOM 485 OG1 THR 72 11.133 -6.655 -2.367 1.00 0.00 ATOM 486 O THR 72 8.934 -8.251 -4.654 1.00 0.00 ATOM 487 C THR 72 9.015 -7.089 -4.264 1.00 0.00 ATOM 488 N HIS 73 8.054 -6.502 -3.557 1.00 0.00 ATOM 489 CA HIS 73 6.841 -7.230 -3.202 1.00 0.00 ATOM 490 CB HIS 73 6.557 -7.098 -1.703 1.00 0.00 ATOM 491 CG HIS 73 7.628 -7.679 -0.833 1.00 0.00 ATOM 492 CD2 HIS 73 8.620 -7.146 0.090 1.00 0.00 ATOM 493 ND1 HIS 73 7.875 -9.033 -0.761 1.00 0.00 ATOM 494 CE1 HIS 73 8.888 -9.247 0.099 1.00 0.00 ATOM 495 NE2 HIS 73 9.339 -8.119 0.612 1.00 0.00 ATOM 496 O HIS 73 4.492 -7.252 -3.702 1.00 0.00 ATOM 497 C HIS 73 5.587 -6.739 -3.930 1.00 0.00 ATOM 498 N LEU 74 5.755 -5.757 -4.810 1.00 0.00 ATOM 499 CA LEU 74 4.641 -5.206 -5.573 1.00 0.00 ATOM 500 CB LEU 74 5.139 -4.149 -6.560 1.00 0.00 ATOM 501 CG LEU 74 5.635 -2.834 -5.954 1.00 0.00 ATOM 502 CD1 LEU 74 6.273 -1.957 -7.020 1.00 0.00 ATOM 503 CD2 LEU 74 4.483 -2.063 -5.329 1.00 0.00 ATOM 504 O LEU 74 2.646 -6.316 -6.329 1.00 0.00 ATOM 505 C LEU 74 3.874 -6.242 -6.396 1.00 0.00 ATOM 506 N GLU 75 4.601 -7.035 -7.177 1.00 0.00 ATOM 507 CA GLU 75 3.976 -8.034 -8.031 1.00 0.00 ATOM 508 CB GLU 75 5.039 -8.858 -8.761 1.00 0.00 ATOM 509 CG GLU 75 4.473 -9.906 -9.704 1.00 0.00 ATOM 510 CD GLU 75 5.553 -10.735 -10.370 1.00 0.00 ATOM 511 OE1 GLU 75 6.746 -10.478 -10.106 1.00 0.00 ATOM 512 OE2 GLU 75 5.206 -11.642 -11.155 1.00 0.00 ATOM 513 O GLU 75 1.918 -9.175 -7.540 1.00 0.00 ATOM 514 C GLU 75 3.104 -9.007 -7.251 1.00 0.00 ATOM 515 N PRO 76 3.696 -9.651 -6.257 1.00 0.00 ATOM 516 CA PRO 76 2.961 -10.616 -5.463 1.00 0.00 ATOM 517 CB PRO 76 3.996 -11.147 -4.471 1.00 0.00 ATOM 518 CG PRO 76 5.302 -10.993 -5.177 1.00 0.00 ATOM 519 CD PRO 76 5.216 -9.701 -5.937 1.00 0.00 ATOM 520 O PRO 76 0.716 -10.624 -4.632 1.00 0.00 ATOM 521 C PRO 76 1.766 -10.000 -4.720 1.00 0.00 ATOM 522 N THR 77 1.916 -8.784 -4.198 1.00 0.00 ATOM 523 CA THR 77 0.817 -8.141 -3.484 1.00 0.00 ATOM 524 CB THR 77 1.269 -6.830 -2.816 1.00 0.00 ATOM 525 CG2 THR 77 0.099 -6.159 -2.113 1.00 0.00 ATOM 526 OG1 THR 77 2.292 -7.108 -1.852 1.00 0.00 ATOM 527 O THR 77 -1.506 -8.032 -4.117 1.00 0.00 ATOM 528 C THR 77 -0.329 -7.804 -4.429 1.00 0.00 ATOM 529 N CYS 78 0.014 -7.252 -5.586 1.00 0.00 ATOM 530 CA CYS 78 -1.001 -6.887 -6.557 1.00 0.00 ATOM 531 CB CYS 78 -0.367 -6.180 -7.756 1.00 0.00 ATOM 532 SG CYS 78 0.317 -4.547 -7.384 1.00 0.00 ATOM 533 O CYS 78 -2.940 -8.064 -7.343 1.00 0.00 ATOM 534 C CYS 78 -1.742 -8.122 -7.074 1.00 0.00 ATOM 535 N ALA 79 -1.032 -9.238 -7.197 1.00 0.00 ATOM 536 CA ALA 79 -1.651 -10.461 -7.678 1.00 0.00 ATOM 537 CB ALA 79 -0.590 -11.504 -7.994 1.00 0.00 ATOM 538 O ALA 79 -3.660 -11.510 -6.928 1.00 0.00 ATOM 539 C ALA 79 -2.580 -11.012 -6.620 1.00 0.00 ATOM 540 N ALA 80 -2.151 -10.906 -5.368 1.00 0.00 ATOM 541 CA ALA 80 -2.937 -11.370 -4.231 1.00 0.00 ATOM 542 CB ALA 80 -2.172 -11.154 -2.934 1.00 0.00 ATOM 543 O ALA 80 -5.344 -11.135 -4.204 1.00 0.00 ATOM 544 C ALA 80 -4.248 -10.570 -4.194 1.00 0.00 ATOM 545 N MET 81 -4.120 -9.247 -4.165 1.00 0.00 ATOM 546 CA MET 81 -5.281 -8.363 -4.121 1.00 0.00 ATOM 547 CB MET 81 -4.843 -6.899 -4.193 1.00 0.00 ATOM 548 CG MET 81 -4.117 -6.408 -2.952 1.00 0.00 ATOM 549 SD MET 81 -3.501 -4.721 -3.127 1.00 0.00 ATOM 550 CE MET 81 -5.038 -3.803 -3.160 1.00 0.00 ATOM 551 O MET 81 -7.471 -8.695 -5.049 1.00 0.00 ATOM 552 C MET 81 -6.263 -8.585 -5.266 1.00 0.00 ATOM 553 N GLU 82 -5.740 -8.646 -6.483 1.00 0.00 ATOM 554 CA GLU 82 -6.578 -8.833 -7.655 1.00 0.00 ATOM 555 CB GLU 82 -5.724 -8.873 -8.924 1.00 0.00 ATOM 556 CG GLU 82 -6.525 -9.021 -10.207 1.00 0.00 ATOM 557 CD GLU 82 -5.649 -9.021 -11.445 1.00 0.00 ATOM 558 OE1 GLU 82 -4.415 -8.895 -11.299 1.00 0.00 ATOM 559 OE2 GLU 82 -6.196 -9.150 -12.561 1.00 0.00 ATOM 560 O GLU 82 -8.585 -10.149 -7.762 1.00 0.00 ATOM 561 C GLU 82 -7.364 -10.139 -7.577 1.00 0.00 ATOM 562 N ALA 83 -6.666 -11.232 -7.293 1.00 0.00 ATOM 563 CA ALA 83 -7.304 -12.539 -7.187 1.00 0.00 ATOM 564 CB ALA 83 -6.301 -13.582 -6.717 1.00 0.00 ATOM 565 O ALA 83 -9.561 -12.943 -6.441 1.00 0.00 ATOM 566 C ALA 83 -8.451 -12.460 -6.183 1.00 0.00 ATOM 567 N ALA 84 -8.178 -11.845 -5.036 1.00 0.00 ATOM 568 CA ALA 84 -9.195 -11.697 -4.008 1.00 0.00 ATOM 569 CB ALA 84 -8.627 -10.965 -2.802 1.00 0.00 ATOM 570 O ALA 84 -11.561 -11.320 -4.343 1.00 0.00 ATOM 571 C ALA 84 -10.410 -10.900 -4.511 1.00 0.00 ATOM 572 N VAL 85 -10.159 -9.757 -5.136 1.00 0.00 ATOM 573 CA VAL 85 -11.252 -8.923 -5.626 1.00 0.00 ATOM 574 CB VAL 85 -10.730 -7.610 -6.240 1.00 0.00 ATOM 575 CG1 VAL 85 -11.862 -6.854 -6.918 1.00 0.00 ATOM 576 CG2 VAL 85 -10.133 -6.720 -5.163 1.00 0.00 ATOM 577 O VAL 85 -13.338 -9.637 -6.598 1.00 0.00 ATOM 578 C VAL 85 -12.114 -9.580 -6.712 1.00 0.00 ATOM 579 N ARG 86 -11.472 -10.082 -7.759 1.00 0.00 ATOM 580 CA ARG 86 -12.208 -10.687 -8.858 1.00 0.00 ATOM 581 CB ARG 86 -11.268 -10.992 -10.027 1.00 0.00 ATOM 582 CG ARG 86 -10.706 -9.755 -10.708 1.00 0.00 ATOM 583 CD ARG 86 -9.791 -10.130 -11.863 1.00 0.00 ATOM 584 NE ARG 86 -10.523 -10.759 -12.959 1.00 0.00 ATOM 585 CZ ARG 86 -9.949 -11.388 -13.979 1.00 0.00 ATOM 586 NH1 ARG 86 -10.695 -11.931 -14.930 1.00 0.00 ATOM 587 NH2 ARG 86 -8.627 -11.473 -14.045 1.00 0.00 ATOM 588 O ARG 86 -13.689 -12.527 -9.260 1.00 0.00 ATOM 589 C ARG 86 -12.888 -11.999 -8.485 1.00 0.00 ATOM 590 N ASP 87 -12.587 -12.515 -7.296 1.00 0.00 ATOM 591 CA ASP 87 -13.201 -13.753 -6.838 1.00 0.00 ATOM 592 CB ASP 87 -12.134 -14.724 -6.331 1.00 0.00 ATOM 593 CG ASP 87 -11.336 -15.354 -7.457 1.00 0.00 ATOM 594 OD1 ASP 87 -11.769 -15.245 -8.624 1.00 0.00 ATOM 595 OD2 ASP 87 -10.280 -15.957 -7.173 1.00 0.00 ATOM 596 O ASP 87 -14.484 -14.417 -4.920 1.00 0.00 ATOM 597 C ASP 87 -14.185 -13.509 -5.699 1.00 0.00 ATOM 598 N GLY 88 -14.676 -12.274 -5.609 1.00 0.00 ATOM 599 CA GLY 88 -15.665 -11.919 -4.600 1.00 0.00 ATOM 600 O GLY 88 -16.073 -11.868 -2.254 1.00 0.00 ATOM 601 C GLY 88 -15.243 -11.740 -3.152 1.00 0.00 ATOM 602 N GLY 89 -13.971 -11.438 -2.906 1.00 0.00 ATOM 603 CA GLY 89 -13.524 -11.246 -1.537 1.00 0.00 ATOM 604 O GLY 89 -13.687 -8.900 -1.973 1.00 0.00 ATOM 605 C GLY 89 -13.296 -9.781 -1.209 1.00 0.00 ATOM 606 N SER 90 -12.682 -9.519 -0.059 1.00 0.00 ATOM 607 CA SER 90 -12.374 -8.155 0.355 1.00 0.00 ATOM 608 CB SER 90 -13.415 -7.653 1.359 1.00 0.00 ATOM 609 OG SER 90 -13.121 -6.333 1.779 1.00 0.00 ATOM 610 O SER 90 -10.746 -8.900 1.951 1.00 0.00 ATOM 611 C SER 90 -11.000 -8.152 1.002 1.00 0.00 ATOM 612 N CYS 91 -10.114 -7.303 0.493 1.00 0.00 ATOM 613 CA CYS 91 -8.765 -7.258 1.024 1.00 0.00 ATOM 614 CB CYS 91 -7.741 -7.350 -0.108 1.00 0.00 ATOM 615 SG CYS 91 -6.017 -7.274 0.436 1.00 0.00 ATOM 616 O CYS 91 -8.624 -4.884 1.339 1.00 0.00 ATOM 617 C CYS 91 -8.405 -6.006 1.800 1.00 0.00 ATOM 618 N LEU 92 -7.849 -6.221 2.988 1.00 0.00 ATOM 619 CA LEU 92 -7.395 -5.125 3.833 1.00 0.00 ATOM 620 CB LEU 92 -7.931 -5.288 5.257 1.00 0.00 ATOM 621 CG LEU 92 -7.488 -4.234 6.273 1.00 0.00 ATOM 622 CD1 LEU 92 -8.028 -2.863 5.896 1.00 0.00 ATOM 623 CD2 LEU 92 -7.998 -4.580 7.664 1.00 0.00 ATOM 624 O LEU 92 -5.264 -6.122 4.269 1.00 0.00 ATOM 625 C LEU 92 -5.871 -5.138 3.856 1.00 0.00 ATOM 626 N VAL 93 -5.253 -4.059 3.399 1.00 0.00 ATOM 627 CA VAL 93 -3.799 -3.980 3.448 1.00 0.00 ATOM 628 CB VAL 93 -3.220 -3.423 2.134 1.00 0.00 ATOM 629 CG1 VAL 93 -1.707 -3.297 2.229 1.00 0.00 ATOM 630 CG2 VAL 93 -3.552 -4.347 0.972 1.00 0.00 ATOM 631 O VAL 93 -4.028 -1.936 4.696 1.00 0.00 ATOM 632 C VAL 93 -3.481 -3.041 4.615 1.00 0.00 ATOM 633 N TYR 94 -2.612 -3.475 5.521 1.00 0.00 ATOM 634 CA TYR 94 -2.274 -2.641 6.667 1.00 0.00 ATOM 635 CB TYR 94 -3.063 -3.080 7.902 1.00 0.00 ATOM 636 CG TYR 94 -2.722 -4.471 8.384 1.00 0.00 ATOM 637 CD1 TYR 94 -1.747 -4.669 9.355 1.00 0.00 ATOM 638 CD2 TYR 94 -3.374 -5.584 7.869 1.00 0.00 ATOM 639 CE1 TYR 94 -1.427 -5.937 9.803 1.00 0.00 ATOM 640 CE2 TYR 94 -3.068 -6.861 8.304 1.00 0.00 ATOM 641 CZ TYR 94 -2.085 -7.028 9.279 1.00 0.00 ATOM 642 OH TYR 94 -1.769 -8.291 9.722 1.00 0.00 ATOM 643 O TYR 94 -0.061 -3.604 6.801 1.00 0.00 ATOM 644 C TYR 94 -0.807 -2.661 7.086 1.00 0.00 ATOM 645 N CYS 95 -0.416 -1.586 7.764 1.00 0.00 ATOM 646 CA CYS 95 0.923 -1.406 8.316 1.00 0.00 ATOM 647 CB CYS 95 1.779 -0.553 7.378 1.00 0.00 ATOM 648 SG CYS 95 1.211 1.153 7.193 1.00 0.00 ATOM 649 O CYS 95 -0.406 -0.088 9.813 1.00 0.00 ATOM 650 C CYS 95 0.652 -0.708 9.646 1.00 0.00 ATOM 651 N LYS 96 1.590 -0.805 10.584 1.00 0.00 ATOM 652 CA LYS 96 1.387 -0.250 11.924 1.00 0.00 ATOM 653 CB LYS 96 2.731 -0.045 12.626 1.00 0.00 ATOM 654 CG LYS 96 2.614 0.455 14.056 1.00 0.00 ATOM 655 CD LYS 96 3.976 0.547 14.724 1.00 0.00 ATOM 656 CE LYS 96 3.870 1.139 16.119 1.00 0.00 ATOM 657 NZ LYS 96 5.176 1.118 16.833 1.00 0.00 ATOM 658 O LYS 96 -0.351 1.171 12.747 1.00 0.00 ATOM 659 C LYS 96 0.692 1.097 12.095 1.00 0.00 ATOM 660 N ASN 97 1.270 2.157 11.538 1.00 0.00 ATOM 661 CA ASN 97 0.703 3.495 11.674 1.00 0.00 ATOM 662 CB ASN 97 1.786 4.558 11.476 1.00 0.00 ATOM 663 CG ASN 97 2.765 4.612 12.632 1.00 0.00 ATOM 664 ND2 ASN 97 3.950 5.156 12.377 1.00 0.00 ATOM 665 OD1 ASN 97 2.459 4.172 13.739 1.00 0.00 ATOM 666 O ASN 97 -1.149 4.759 10.823 1.00 0.00 ATOM 667 C ASN 97 -0.397 3.794 10.665 1.00 0.00 ATOM 668 N GLY 98 -0.494 2.967 9.635 1.00 0.00 ATOM 669 CA GLY 98 -1.501 3.196 8.617 1.00 0.00 ATOM 670 O GLY 98 -2.012 5.132 7.315 1.00 0.00 ATOM 671 C GLY 98 -1.134 4.432 7.819 1.00 0.00 ATOM 672 N ARG 99 0.166 4.700 7.693 1.00 0.00 ATOM 673 CA ARG 99 0.622 5.876 6.963 1.00 0.00 ATOM 674 CB ARG 99 1.614 6.679 7.808 1.00 0.00 ATOM 675 CG ARG 99 1.977 8.032 7.218 1.00 0.00 ATOM 676 CD ARG 99 2.950 8.782 8.114 1.00 0.00 ATOM 677 NE ARG 99 4.235 8.095 8.221 1.00 0.00 ATOM 678 CZ ARG 99 5.186 8.423 9.091 1.00 0.00 ATOM 679 NH1 ARG 99 6.324 7.742 9.115 1.00 0.00 ATOM 680 NH2 ARG 99 4.997 9.429 9.932 1.00 0.00 ATOM 681 O ARG 99 0.842 6.080 4.587 1.00 0.00 ATOM 682 C ARG 99 1.340 5.654 5.636 1.00 0.00 ATOM 683 N SER 100 2.503 5.004 5.667 1.00 0.00 ATOM 684 CA SER 100 3.261 4.846 4.430 1.00 0.00 ATOM 685 CB SER 100 4.719 5.255 4.640 1.00 0.00 ATOM 686 OG SER 100 5.488 5.027 3.470 1.00 0.00 ATOM 687 O SER 100 3.209 3.402 2.544 1.00 0.00 ATOM 688 C SER 100 3.383 3.480 3.757 1.00 0.00 ATOM 689 N ARG 101 3.677 2.421 4.515 1.00 0.00 ATOM 690 CA ARG 101 3.832 1.079 3.937 1.00 0.00 ATOM 691 CB ARG 101 4.188 0.065 5.026 1.00 0.00 ATOM 692 CG ARG 101 5.606 0.199 5.558 1.00 0.00 ATOM 693 CD ARG 101 5.989 -0.998 6.414 1.00 0.00 ATOM 694 NE ARG 101 5.165 -1.095 7.617 1.00 0.00 ATOM 695 CZ ARG 101 5.435 -0.472 8.760 1.00 0.00 ATOM 696 NH1 ARG 101 4.629 -0.619 9.803 1.00 0.00 ATOM 697 NH2 ARG 101 6.511 0.298 8.857 1.00 0.00 ATOM 698 O ARG 101 2.692 0.066 2.070 1.00 0.00 ATOM 699 C ARG 101 2.603 0.492 3.225 1.00 0.00 ATOM 700 N SER 102 1.464 0.452 3.909 1.00 0.00 ATOM 701 CA SER 102 0.252 -0.091 3.307 1.00 0.00 ATOM 702 CB SER 102 -0.878 -0.151 4.337 1.00 0.00 ATOM 703 OG SER 102 -1.261 1.148 4.752 1.00 0.00 ATOM 704 O SER 102 -0.706 0.324 1.128 1.00 0.00 ATOM 705 C SER 102 -0.190 0.798 2.146 1.00 0.00 ATOM 706 N ALA 103 0.029 2.095 2.311 1.00 0.00 ATOM 707 CA ALA 103 -0.343 3.081 1.306 1.00 0.00 ATOM 708 CB ALA 103 -0.026 4.485 1.799 1.00 0.00 ATOM 709 O ALA 103 -0.148 2.947 -1.085 1.00 0.00 ATOM 710 C ALA 103 0.417 2.853 0.005 1.00 0.00 ATOM 711 N ALA 104 1.700 2.547 0.131 1.00 0.00 ATOM 712 CA ALA 104 2.563 2.308 -1.020 1.00 0.00 ATOM 713 CB ALA 104 3.989 2.038 -0.566 1.00 0.00 ATOM 714 O ALA 104 2.012 1.149 -3.070 1.00 0.00 ATOM 715 C ALA 104 2.086 1.099 -1.835 1.00 0.00 ATOM 716 N VAL 105 1.778 0.006 -1.141 1.00 0.00 ATOM 717 CA VAL 105 1.308 -1.203 -1.801 1.00 0.00 ATOM 718 CB VAL 105 1.092 -2.347 -0.795 1.00 0.00 ATOM 719 CG1 VAL 105 0.414 -3.529 -1.469 1.00 0.00 ATOM 720 CG2 VAL 105 2.422 -2.815 -0.228 1.00 0.00 ATOM 721 O VAL 105 -0.198 -1.342 -3.670 1.00 0.00 ATOM 722 C VAL 105 -0.030 -0.952 -2.516 1.00 0.00 ATOM 723 N CYS 106 -0.973 -0.292 -1.850 1.00 0.00 ATOM 724 CA CYS 106 -2.265 -0.031 -2.483 1.00 0.00 ATOM 725 CB CYS 106 -3.234 0.601 -1.482 1.00 0.00 ATOM 726 SG CYS 106 -3.790 -0.517 -0.174 1.00 0.00 ATOM 727 O CYS 106 -2.878 0.759 -4.680 1.00 0.00 ATOM 728 C CYS 106 -2.165 0.927 -3.680 1.00 0.00 ATOM 729 N THR 107 -1.280 1.917 -3.588 1.00 0.00 ATOM 730 CA THR 107 -1.104 2.882 -4.670 1.00 0.00 ATOM 731 CB THR 107 -0.080 3.969 -4.297 1.00 0.00 ATOM 732 CG2 THR 107 0.114 4.938 -5.454 1.00 0.00 ATOM 733 OG1 THR 107 -0.546 4.698 -3.155 1.00 0.00 ATOM 734 O THR 107 -1.111 2.361 -7.020 1.00 0.00 ATOM 735 C THR 107 -0.610 2.149 -5.911 1.00 0.00 ATOM 736 N ALA 108 0.360 1.268 -5.709 1.00 0.00 ATOM 737 CA ALA 108 0.915 0.487 -6.799 1.00 0.00 ATOM 738 CB ALA 108 1.984 -0.462 -6.281 1.00 0.00 ATOM 739 O ALA 108 -0.245 -0.451 -8.685 1.00 0.00 ATOM 740 C ALA 108 -0.195 -0.330 -7.463 1.00 0.00 ATOM 741 N TYR 109 -1.089 -0.888 -6.653 1.00 0.00 ATOM 742 CA TYR 109 -2.191 -1.681 -7.180 1.00 0.00 ATOM 743 CB TYR 109 -3.019 -2.272 -6.038 1.00 0.00 ATOM 744 CG TYR 109 -4.211 -3.080 -6.501 1.00 0.00 ATOM 745 CD1 TYR 109 -4.056 -4.387 -6.945 1.00 0.00 ATOM 746 CD2 TYR 109 -5.487 -2.532 -6.493 1.00 0.00 ATOM 747 CE1 TYR 109 -5.140 -5.132 -7.370 1.00 0.00 ATOM 748 CE2 TYR 109 -6.583 -3.262 -6.914 1.00 0.00 ATOM 749 CZ TYR 109 -6.398 -4.572 -7.354 1.00 0.00 ATOM 750 OH TYR 109 -7.479 -5.312 -7.778 1.00 0.00 ATOM 751 O TYR 109 -3.463 -1.221 -9.169 1.00 0.00 ATOM 752 C TYR 109 -3.125 -0.845 -8.047 1.00 0.00 ATOM 753 N LEU 110 -3.563 0.284 -7.498 1.00 0.00 ATOM 754 CA LEU 110 -4.474 1.170 -8.203 1.00 0.00 ATOM 755 CB LEU 110 -4.878 2.344 -7.312 1.00 0.00 ATOM 756 CG LEU 110 -5.763 2.010 -6.108 1.00 0.00 ATOM 757 CD1 LEU 110 -5.949 3.231 -5.223 1.00 0.00 ATOM 758 CD2 LEU 110 -7.136 1.541 -6.565 1.00 0.00 ATOM 759 O LEU 110 -4.494 1.963 -10.464 1.00 0.00 ATOM 760 C LEU 110 -3.822 1.729 -9.462 1.00 0.00 ATOM 761 N MET 111 -2.513 1.938 -9.419 1.00 0.00 ATOM 762 CA MET 111 -1.821 2.439 -10.598 1.00 0.00 ATOM 763 CB MET 111 -0.334 2.645 -10.301 1.00 0.00 ATOM 764 CG MET 111 -0.040 3.829 -9.393 1.00 0.00 ATOM 765 SD MET 111 1.720 4.200 -9.280 1.00 0.00 ATOM 766 CE MET 111 2.285 2.852 -8.245 1.00 0.00 ATOM 767 O MET 111 -2.305 1.804 -12.858 1.00 0.00 ATOM 768 C MET 111 -1.966 1.430 -11.735 1.00 0.00 ATOM 769 N ARG 112 -1.733 0.150 -11.443 1.00 0.00 ATOM 770 CA ARG 112 -1.826 -0.866 -12.484 1.00 0.00 ATOM 771 CB ARG 112 -1.351 -2.221 -11.955 1.00 0.00 ATOM 772 CG ARG 112 -1.352 -3.329 -12.996 1.00 0.00 ATOM 773 CD ARG 112 -0.757 -4.611 -12.439 1.00 0.00 ATOM 774 NE ARG 112 -0.750 -5.686 -13.428 1.00 0.00 ATOM 775 CZ ARG 112 -0.342 -6.927 -13.179 1.00 0.00 ATOM 776 NH1 ARG 112 -0.372 -7.839 -14.142 1.00 0.00 ATOM 777 NH2 ARG 112 0.095 -7.252 -11.971 1.00 0.00 ATOM 778 O ARG 112 -3.398 -1.251 -14.241 1.00 0.00 ATOM 779 C ARG 112 -3.236 -1.088 -13.029 1.00 0.00 ATOM 780 N HIS 113 -4.257 -1.086 -12.169 1.00 0.00 ATOM 781 CA HIS 113 -5.621 -1.300 -12.665 1.00 0.00 ATOM 782 CB HIS 113 -6.549 -1.708 -11.520 1.00 0.00 ATOM 783 CG HIS 113 -6.283 -3.082 -10.987 1.00 0.00 ATOM 784 CD2 HIS 113 -6.796 -4.416 -11.257 1.00 0.00 ATOM 785 ND1 HIS 113 -5.360 -3.330 -9.995 1.00 0.00 ATOM 786 CE1 HIS 113 -5.347 -4.648 -9.729 1.00 0.00 ATOM 787 NE2 HIS 113 -6.205 -5.307 -10.483 1.00 0.00 ATOM 788 O HIS 113 -7.242 -0.209 -14.034 1.00 0.00 ATOM 789 C HIS 113 -6.255 -0.074 -13.318 1.00 0.00 ATOM 790 N ARG 114 -5.697 1.109 -13.077 1.00 0.00 ATOM 791 CA ARG 114 -6.233 2.337 -13.676 1.00 0.00 ATOM 792 CB ARG 114 -6.413 3.419 -12.610 1.00 0.00 ATOM 793 CG ARG 114 -7.451 3.082 -11.552 1.00 0.00 ATOM 794 CD ARG 114 -7.585 4.202 -10.533 1.00 0.00 ATOM 795 NE ARG 114 -8.573 3.889 -9.504 1.00 0.00 ATOM 796 CZ ARG 114 -8.852 4.679 -8.471 1.00 0.00 ATOM 797 NH1 ARG 114 -9.766 4.313 -7.584 1.00 0.00 ATOM 798 NH2 ARG 114 -8.216 5.834 -8.329 1.00 0.00 ATOM 799 O ARG 114 -5.752 3.668 -15.628 1.00 0.00 ATOM 800 C ARG 114 -5.313 2.908 -14.760 1.00 0.00 ATOM 801 N GLY 115 -4.036 2.552 -14.699 1.00 0.00 ATOM 802 CA GLY 115 -3.084 3.056 -15.673 1.00 0.00 ATOM 803 O GLY 115 -1.938 5.098 -16.158 1.00 0.00 ATOM 804 C GLY 115 -2.652 4.478 -15.367 1.00 0.00 ATOM 805 N HIS 116 -3.073 4.984 -14.207 1.00 0.00 ATOM 806 CA HIS 116 -2.755 6.344 -13.782 1.00 0.00 ATOM 807 CB HIS 116 -3.888 6.918 -12.930 1.00 0.00 ATOM 808 CG HIS 116 -5.150 7.175 -13.694 1.00 0.00 ATOM 809 CD2 HIS 116 -6.421 6.487 -13.862 1.00 0.00 ATOM 810 ND1 HIS 116 -5.324 8.288 -14.489 1.00 0.00 ATOM 811 CE1 HIS 116 -6.549 8.242 -15.043 1.00 0.00 ATOM 812 NE2 HIS 116 -7.212 7.164 -14.671 1.00 0.00 ATOM 813 O HIS 116 -1.080 5.453 -12.320 1.00 0.00 ATOM 814 C HIS 116 -1.478 6.430 -12.945 1.00 0.00 ATOM 815 N SER 117 -0.845 7.605 -12.944 1.00 0.00 ATOM 816 CA SER 117 0.392 7.818 -12.199 1.00 0.00 ATOM 817 CB SER 117 1.010 9.169 -12.560 1.00 0.00 ATOM 818 OG SER 117 0.204 10.239 -12.098 1.00 0.00 ATOM 819 O SER 117 -0.851 8.026 -10.165 1.00 0.00 ATOM 820 C SER 117 0.244 7.817 -10.683 1.00 0.00 ATOM 821 N LEU 118 1.347 7.613 -9.963 1.00 0.00 ATOM 822 CA LEU 118 1.280 7.554 -8.510 1.00 0.00 ATOM 823 CB LEU 118 2.654 7.219 -7.923 1.00 0.00 ATOM 824 CG LEU 118 2.711 7.012 -6.409 1.00 0.00 ATOM 825 CD1 LEU 118 1.817 5.855 -5.990 1.00 0.00 ATOM 826 CD2 LEU 118 4.132 6.699 -5.963 1.00 0.00 ATOM 827 O LEU 118 0.254 8.802 -6.743 1.00 0.00 ATOM 828 C LEU 118 0.837 8.844 -7.832 1.00 0.00 ATOM 829 N ASP 119 1.105 9.989 -8.450 1.00 0.00 ATOM 830 CA ASP 119 0.685 11.236 -7.825 1.00 0.00 ATOM 831 CB ASP 119 1.289 12.434 -8.562 1.00 0.00 ATOM 832 CG ASP 119 2.778 12.579 -8.315 1.00 0.00 ATOM 833 OD1 ASP 119 3.294 11.915 -7.392 1.00 0.00 ATOM 834 OD2 ASP 119 3.428 13.357 -9.044 1.00 0.00 ATOM 835 O ASP 119 -1.442 11.678 -6.822 1.00 0.00 ATOM 836 C ASP 119 -0.832 11.384 -7.850 1.00 0.00 ATOM 837 N ARG 120 -1.443 11.168 -9.010 1.00 0.00 ATOM 838 CA ARG 120 -2.890 11.266 -9.106 1.00 0.00 ATOM 839 CB ARG 120 -3.349 11.035 -10.547 1.00 0.00 ATOM 840 CG ARG 120 -2.999 12.169 -11.498 1.00 0.00 ATOM 841 CD ARG 120 -3.418 11.843 -12.922 1.00 0.00 ATOM 842 NE ARG 120 -3.064 12.912 -13.855 1.00 0.00 ATOM 843 CZ ARG 120 -3.251 12.848 -15.169 1.00 0.00 ATOM 844 NH1 ARG 120 -2.898 13.869 -15.939 1.00 0.00 ATOM 845 NH2 ARG 120 -3.790 11.765 -15.711 1.00 0.00 ATOM 846 O ARG 120 -4.509 10.477 -7.522 1.00 0.00 ATOM 847 C ARG 120 -3.520 10.209 -8.204 1.00 0.00 ATOM 848 N ALA 121 -2.945 9.009 -8.199 1.00 0.00 ATOM 849 CA ALA 121 -3.483 7.926 -7.380 1.00 0.00 ATOM 850 CB ALA 121 -2.713 6.638 -7.631 1.00 0.00 ATOM 851 O ALA 121 -4.359 8.119 -5.143 1.00 0.00 ATOM 852 C ALA 121 -3.383 8.260 -5.890 1.00 0.00 ATOM 853 N PHE 122 -2.208 8.716 -5.466 1.00 0.00 ATOM 854 CA PHE 122 -1.980 9.069 -4.066 1.00 0.00 ATOM 855 CB PHE 122 -0.546 9.560 -3.865 1.00 0.00 ATOM 856 CG PHE 122 -0.243 9.984 -2.455 1.00 0.00 ATOM 857 CD1 PHE 122 0.031 9.043 -1.479 1.00 0.00 ATOM 858 CD2 PHE 122 -0.231 11.324 -2.107 1.00 0.00 ATOM 859 CE1 PHE 122 0.310 9.433 -0.183 1.00 0.00 ATOM 860 CE2 PHE 122 0.049 11.713 -0.811 1.00 0.00 ATOM 861 CZ PHE 122 0.318 10.774 0.150 1.00 0.00 ATOM 862 O PHE 122 -3.575 10.123 -2.595 1.00 0.00 ATOM 863 C PHE 122 -2.953 10.183 -3.659 1.00 0.00 ATOM 864 N GLN 123 -3.071 11.201 -4.508 1.00 0.00 ATOM 865 CA GLN 123 -3.960 12.325 -4.234 1.00 0.00 ATOM 866 CB GLN 123 -3.869 13.365 -5.351 1.00 0.00 ATOM 867 CG GLN 123 -2.555 14.130 -5.383 1.00 0.00 ATOM 868 CD GLN 123 -2.456 15.068 -6.569 1.00 0.00 ATOM 869 OE1 GLN 123 -3.335 15.091 -7.431 1.00 0.00 ATOM 870 NE2 GLN 123 -1.382 15.849 -6.616 1.00 0.00 ATOM 871 O GLN 123 -6.188 12.360 -3.332 1.00 0.00 ATOM 872 C GLN 123 -5.402 11.846 -4.134 1.00 0.00 ATOM 873 N MET 124 -5.750 10.858 -4.952 1.00 0.00 ATOM 874 CA MET 124 -7.103 10.320 -4.933 1.00 0.00 ATOM 875 CB MET 124 -7.328 9.393 -6.130 1.00 0.00 ATOM 876 CG MET 124 -7.367 10.107 -7.470 1.00 0.00 ATOM 877 SD MET 124 -8.699 11.319 -7.574 1.00 0.00 ATOM 878 CE MET 124 -10.132 10.247 -7.578 1.00 0.00 ATOM 879 O MET 124 -8.390 9.560 -3.041 1.00 0.00 ATOM 880 C MET 124 -7.310 9.531 -3.641 1.00 0.00 ATOM 881 N VAL 125 -6.267 8.834 -3.205 1.00 0.00 ATOM 882 CA VAL 125 -6.352 8.062 -1.978 1.00 0.00 ATOM 883 CB VAL 125 -5.107 7.178 -1.778 1.00 0.00 ATOM 884 CG1 VAL 125 -5.132 6.527 -0.404 1.00 0.00 ATOM 885 CG2 VAL 125 -5.060 6.080 -2.830 1.00 0.00 ATOM 886 O VAL 125 -7.250 8.743 0.147 1.00 0.00 ATOM 887 C VAL 125 -6.469 9.002 -0.774 1.00 0.00 ATOM 888 N LYS 126 -5.710 10.098 -0.798 1.00 0.00 ATOM 889 CA LYS 126 -5.735 11.075 0.291 1.00 0.00 ATOM 890 CB LYS 126 -4.819 12.258 -0.028 1.00 0.00 ATOM 891 CG LYS 126 -4.748 13.302 1.074 1.00 0.00 ATOM 892 CD LYS 126 -3.757 14.403 0.729 1.00 0.00 ATOM 893 CE LYS 126 -3.672 15.438 1.838 1.00 0.00 ATOM 894 NZ LYS 126 -2.702 16.521 1.515 1.00 0.00 ATOM 895 O LYS 126 -7.516 11.939 1.660 1.00 0.00 ATOM 896 C LYS 126 -7.142 11.627 0.527 1.00 0.00 ATOM 897 N SER 127 -7.921 11.746 -0.541 1.00 0.00 ATOM 898 CA SER 127 -9.280 12.262 -0.434 1.00 0.00 ATOM 899 CB SER 127 -9.967 12.252 -1.801 1.00 0.00 ATOM 900 OG SER 127 -9.327 13.140 -2.701 1.00 0.00 ATOM 901 O SER 127 -11.008 11.932 1.190 1.00 0.00 ATOM 902 C SER 127 -10.115 11.418 0.523 1.00 0.00 ATOM 903 N ALA 128 -9.813 10.124 0.589 1.00 0.00 ATOM 904 CA ALA 128 -10.542 9.200 1.457 1.00 0.00 ATOM 905 CB ALA 128 -10.986 7.975 0.672 1.00 0.00 ATOM 906 O ALA 128 -10.031 7.755 3.304 1.00 0.00 ATOM 907 C ALA 128 -9.684 8.720 2.623 1.00 0.00 ATOM 908 N ARG 129 -8.561 9.387 2.840 1.00 0.00 ATOM 909 CA ARG 129 -7.653 9.020 3.919 1.00 0.00 ATOM 910 CB ARG 129 -7.122 7.600 3.713 1.00 0.00 ATOM 911 CG ARG 129 -6.224 7.105 4.834 1.00 0.00 ATOM 912 CD ARG 129 -5.782 5.669 4.593 1.00 0.00 ATOM 913 NE ARG 129 -4.895 5.186 5.649 1.00 0.00 ATOM 914 CZ ARG 129 -5.315 4.659 6.793 1.00 0.00 ATOM 915 NH1 ARG 129 -4.435 4.246 7.695 1.00 0.00 ATOM 916 NH2 ARG 129 -6.614 4.544 7.034 1.00 0.00 ATOM 917 O ARG 129 -5.422 9.738 3.399 1.00 0.00 ATOM 918 C ARG 129 -6.506 10.029 3.885 1.00 0.00 ATOM 919 N PRO 130 -6.743 11.233 4.417 1.00 0.00 ATOM 920 CA PRO 130 -5.783 12.341 4.476 1.00 0.00 ATOM 921 CB PRO 130 -6.544 13.451 5.205 1.00 0.00 ATOM 922 CG PRO 130 -7.556 12.729 6.031 1.00 0.00 ATOM 923 CD PRO 130 -7.986 11.540 5.218 1.00 0.00 ATOM 924 O PRO 130 -3.551 12.918 5.118 1.00 0.00 ATOM 925 C PRO 130 -4.465 12.099 5.203 1.00 0.00 ATOM 926 N VAL 131 -4.356 10.992 5.927 1.00 0.00 ATOM 927 CA VAL 131 -3.116 10.695 6.628 1.00 0.00 ATOM 928 CB VAL 131 -3.357 9.775 7.839 1.00 0.00 ATOM 929 CG1 VAL 131 -4.346 10.411 8.803 1.00 0.00 ATOM 930 CG2 VAL 131 -3.920 8.436 7.387 1.00 0.00 ATOM 931 O VAL 131 -0.953 9.961 5.894 1.00 0.00 ATOM 932 C VAL 131 -2.159 9.996 5.664 1.00 0.00 ATOM 933 N ALA 132 -2.711 9.459 4.579 1.00 0.00 ATOM 934 CA ALA 132 -1.930 8.737 3.571 1.00 0.00 ATOM 935 CB ALA 132 -2.741 8.565 2.296 1.00 0.00 ATOM 936 O ALA 132 -0.680 10.606 2.742 1.00 0.00 ATOM 937 C ALA 132 -0.648 9.462 3.201 1.00 0.00 ATOM 938 N GLU 133 0.485 8.789 3.382 1.00 0.00 ATOM 939 CA GLU 133 1.755 9.416 3.069 1.00 0.00 ATOM 940 CB GLU 133 2.095 10.487 4.109 1.00 0.00 ATOM 941 CG GLU 133 3.387 11.238 3.828 1.00 0.00 ATOM 942 CD GLU 133 3.653 12.337 4.837 1.00 0.00 ATOM 943 OE1 GLU 133 2.819 12.520 5.749 1.00 0.00 ATOM 944 OE2 GLU 133 4.694 13.015 4.716 1.00 0.00 ATOM 945 O GLU 133 3.556 8.154 4.064 1.00 0.00 ATOM 946 C GLU 133 2.933 8.445 3.041 1.00 0.00 ATOM 947 N PRO 134 3.240 7.903 1.860 1.00 0.00 ATOM 948 CA PRO 134 4.372 6.974 1.782 1.00 0.00 ATOM 949 CB PRO 134 4.246 6.352 0.391 1.00 0.00 ATOM 950 CG PRO 134 3.533 7.385 -0.417 1.00 0.00 ATOM 951 CD PRO 134 2.567 8.054 0.521 1.00 0.00 ATOM 952 O PRO 134 5.778 8.904 1.535 1.00 0.00 ATOM 953 C PRO 134 5.679 7.748 1.951 1.00 0.00 ATOM 954 N ASN 135 6.674 7.124 2.576 1.00 0.00 ATOM 955 CA ASN 135 7.949 7.803 2.793 1.00 0.00 ATOM 956 CB ASN 135 8.903 6.908 3.586 1.00 0.00 ATOM 957 CG ASN 135 8.496 6.765 5.040 1.00 0.00 ATOM 958 ND2 ASN 135 9.072 5.782 5.721 1.00 0.00 ATOM 959 OD1 ASN 135 7.671 7.531 5.541 1.00 0.00 ATOM 960 O ASN 135 8.373 7.545 0.425 1.00 0.00 ATOM 961 C ASN 135 8.635 8.161 1.463 1.00 0.00 ATOM 962 N LEU 136 9.525 9.170 1.479 1.00 0.00 ATOM 963 CA LEU 136 10.246 9.617 0.280 1.00 0.00 ATOM 964 CB LEU 136 11.443 10.486 0.667 1.00 0.00 ATOM 965 CG LEU 136 12.236 11.101 -0.488 1.00 0.00 ATOM 966 CD1 LEU 136 11.364 12.053 -1.291 1.00 0.00 ATOM 967 CD2 LEU 136 13.433 11.882 0.037 1.00 0.00 ATOM 968 O LEU 136 10.709 8.563 -1.828 1.00 0.00 ATOM 969 C LEU 136 10.806 8.498 -0.602 1.00 0.00 ATOM 970 N GLY 137 11.386 7.476 0.023 1.00 0.00 ATOM 971 CA GLY 137 11.955 6.378 -0.739 1.00 0.00 ATOM 972 O GLY 137 11.148 5.070 -2.577 1.00 0.00 ATOM 973 C GLY 137 10.922 5.531 -1.456 1.00 0.00 ATOM 974 N PHE 138 9.778 5.324 -0.812 1.00 0.00 ATOM 975 CA PHE 138 8.722 4.524 -1.425 1.00 0.00 ATOM 976 CB PHE 138 7.629 4.208 -0.403 1.00 0.00 ATOM 977 CG PHE 138 8.016 3.151 0.592 1.00 0.00 ATOM 978 CD1 PHE 138 8.388 3.496 1.879 1.00 0.00 ATOM 979 CD2 PHE 138 8.008 1.813 0.241 1.00 0.00 ATOM 980 CE1 PHE 138 8.745 2.523 2.795 1.00 0.00 ATOM 981 CE2 PHE 138 8.363 0.840 1.155 1.00 0.00 ATOM 982 CZ PHE 138 8.732 1.191 2.428 1.00 0.00 ATOM 983 O PHE 138 7.581 4.664 -3.530 1.00 0.00 ATOM 984 C PHE 138 8.085 5.273 -2.592 1.00 0.00 ATOM 985 N TRP 139 8.114 6.598 -2.531 1.00 0.00 ATOM 986 CA TRP 139 7.531 7.404 -3.595 1.00 0.00 ATOM 987 CB TRP 139 7.493 8.879 -3.191 1.00 0.00 ATOM 988 CG TRP 139 6.896 9.772 -4.236 1.00 0.00 ATOM 989 CD1 TRP 139 5.572 10.039 -4.427 1.00 0.00 ATOM 990 CD2 TRP 139 7.605 10.515 -5.235 1.00 0.00 ATOM 991 CE2 TRP 139 6.645 11.211 -5.995 1.00 0.00 ATOM 992 CE3 TRP 139 8.957 10.661 -5.561 1.00 0.00 ATOM 993 NE1 TRP 139 5.410 10.903 -5.482 1.00 0.00 ATOM 994 CZ2 TRP 139 6.994 12.038 -7.062 1.00 0.00 ATOM 995 CZ3 TRP 139 9.298 11.483 -6.618 1.00 0.00 ATOM 996 CH2 TRP 139 8.323 12.161 -7.358 1.00 0.00 ATOM 997 O TRP 139 7.822 7.213 -5.969 1.00 0.00 ATOM 998 C TRP 139 8.366 7.261 -4.864 1.00 0.00 ATOM 999 N ALA 140 9.684 7.158 -4.699 1.00 0.00 ATOM 1000 CA ALA 140 10.598 6.994 -5.831 1.00 0.00 ATOM 1001 CB ALA 140 12.042 7.111 -5.369 1.00 0.00 ATOM 1002 O ALA 140 10.332 5.473 -7.665 1.00 0.00 ATOM 1003 C ALA 140 10.371 5.623 -6.438 1.00 0.00 ATOM 1004 N GLN 141 10.227 4.626 -5.566 1.00 0.00 ATOM 1005 CA GLN 141 9.981 3.263 -5.996 1.00 0.00 ATOM 1006 CB GLN 141 9.925 2.323 -4.790 1.00 0.00 ATOM 1007 CG GLN 141 11.268 2.098 -4.115 1.00 0.00 ATOM 1008 CD GLN 141 11.160 1.224 -2.881 1.00 0.00 ATOM 1009 OE1 GLN 141 10.067 0.809 -2.496 1.00 0.00 ATOM 1010 NE2 GLN 141 12.297 0.942 -2.256 1.00 0.00 ATOM 1011 O GLN 141 8.473 2.453 -7.682 1.00 0.00 ATOM 1012 C GLN 141 8.646 3.226 -6.737 1.00 0.00 ATOM 1013 N LEU 142 7.708 4.062 -6.306 1.00 0.00 ATOM 1014 CA LEU 142 6.411 4.131 -6.976 1.00 0.00 ATOM 1015 CB LEU 142 5.432 4.979 -6.163 1.00 0.00 ATOM 1016 CG LEU 142 4.967 4.389 -4.831 1.00 0.00 ATOM 1017 CD1 LEU 142 4.147 5.403 -4.049 1.00 0.00 ATOM 1018 CD2 LEU 142 4.104 3.157 -5.061 1.00 0.00 ATOM 1019 O LEU 142 6.009 4.387 -9.339 1.00 0.00 ATOM 1020 C LEU 142 6.639 4.766 -8.352 1.00 0.00 ATOM 1021 N GLN 143 7.556 5.725 -8.403 1.00 0.00 ATOM 1022 CA GLN 143 7.897 6.401 -9.651 1.00 0.00 ATOM 1023 CB GLN 143 9.006 7.429 -9.416 1.00 0.00 ATOM 1024 CG GLN 143 9.402 8.212 -10.658 1.00 0.00 ATOM 1025 CD GLN 143 10.487 9.232 -10.383 1.00 0.00 ATOM 1026 OE1 GLN 143 11.018 9.304 -9.274 1.00 0.00 ATOM 1027 NE2 GLN 143 10.822 10.026 -11.394 1.00 0.00 ATOM 1028 O GLN 143 7.897 5.292 -11.785 1.00 0.00 ATOM 1029 C GLN 143 8.378 5.351 -10.655 1.00 0.00 ATOM 1030 N LYS 144 9.336 4.529 -10.223 1.00 0.00 ATOM 1031 CA LYS 144 9.887 3.470 -11.064 1.00 0.00 ATOM 1032 CB LYS 144 10.875 2.615 -10.268 1.00 0.00 ATOM 1033 CG LYS 144 11.503 1.485 -11.068 1.00 0.00 ATOM 1034 CD LYS 144 12.498 0.701 -10.229 1.00 0.00 ATOM 1035 CE LYS 144 13.113 -0.439 -11.025 1.00 0.00 ATOM 1036 NZ LYS 144 14.068 -1.236 -10.206 1.00 0.00 ATOM 1037 O LYS 144 8.544 2.456 -12.763 1.00 0.00 ATOM 1038 C LYS 144 8.759 2.587 -11.565 1.00 0.00 ATOM 1039 N TYR 145 8.048 1.985 -10.619 1.00 0.00 ATOM 1040 CA TYR 145 6.944 1.086 -10.911 1.00 0.00 ATOM 1041 CB TYR 145 6.119 0.822 -9.649 1.00 0.00 ATOM 1042 CG TYR 145 4.909 -0.054 -9.880 1.00 0.00 ATOM 1043 CD1 TYR 145 5.037 -1.433 -9.979 1.00 0.00 ATOM 1044 CD2 TYR 145 3.642 0.502 -10.000 1.00 0.00 ATOM 1045 CE1 TYR 145 3.936 -2.242 -10.191 1.00 0.00 ATOM 1046 CE2 TYR 145 2.529 -0.291 -10.211 1.00 0.00 ATOM 1047 CZ TYR 145 2.687 -1.673 -10.306 1.00 0.00 ATOM 1048 OH TYR 145 1.589 -2.476 -10.516 1.00 0.00 ATOM 1049 O TYR 145 5.560 0.925 -12.864 1.00 0.00 ATOM 1050 C TYR 145 5.997 1.646 -11.964 1.00 0.00 ATOM 1051 N GLU 146 5.683 2.933 -11.849 1.00 0.00 ATOM 1052 CA GLU 146 4.786 3.551 -12.804 1.00 0.00 ATOM 1053 CB GLU 146 4.560 5.023 -12.454 1.00 0.00 ATOM 1054 CG GLU 146 3.596 5.741 -13.383 1.00 0.00 ATOM 1055 CD GLU 146 2.179 5.215 -13.275 1.00 0.00 ATOM 1056 OE1 GLU 146 1.904 4.440 -12.335 1.00 0.00 ATOM 1057 OE2 GLU 146 1.343 5.575 -14.131 1.00 0.00 ATOM 1058 O GLU 146 4.623 3.161 -15.161 1.00 0.00 ATOM 1059 C GLU 146 5.336 3.493 -14.215 1.00 0.00 ATOM 1060 N GLN 147 6.618 3.807 -14.352 1.00 0.00 ATOM 1061 CA GLN 147 7.268 3.806 -15.651 1.00 0.00 ATOM 1062 CB GLN 147 8.649 4.458 -15.559 1.00 0.00 ATOM 1063 CG GLN 147 8.617 5.937 -15.211 1.00 0.00 ATOM 1064 CD GLN 147 10.000 6.517 -14.999 1.00 0.00 ATOM 1065 OE1 GLN 147 10.989 5.785 -14.949 1.00 0.00 ATOM 1066 NE2 GLN 147 10.075 7.836 -14.870 1.00 0.00 ATOM 1067 O GLN 147 7.088 2.115 -17.349 1.00 0.00 ATOM 1068 C GLN 147 7.468 2.403 -16.213 1.00 0.00 TER END