PFRMAT TS TARGET T0160 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR 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 DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] 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 did not have time to METHOD 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 (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. MODEL 1 PARENT N/A ATOM 1 N GLY -3 0.486 7.787 -10.039 1.00 0.00 ATOM 2 CA GLY -3 1.103 8.912 -10.757 1.00 0.00 ATOM 3 O GLY -3 0.845 10.385 -8.906 1.00 0.00 ATOM 4 C GLY -3 0.716 10.238 -10.124 1.00 0.00 ATOM 5 N SER -2 0.761 11.233 -10.999 1.00 0.00 ATOM 6 CA SER -2 0.959 12.600 -10.555 1.00 0.00 ATOM 7 CB SER -2 1.222 13.520 -11.749 1.00 0.00 ATOM 8 OG SER -2 0.074 13.626 -12.574 1.00 0.00 ATOM 9 O SER -2 -0.151 14.112 -9.030 1.00 0.00 ATOM 10 C SER -2 -0.266 13.155 -9.807 1.00 0.00 ATOM 11 N HIS -1 -1.418 12.576 -10.111 1.00 0.00 ATOM 12 CA HIS -1 -2.681 13.048 -9.540 1.00 0.00 ATOM 13 CB HIS -1 -3.782 13.054 -10.602 1.00 0.00 ATOM 14 CG HIS -1 -3.502 13.965 -11.756 1.00 0.00 ATOM 15 CD2 HIS -1 -3.637 15.392 -12.008 1.00 0.00 ATOM 16 ND1 HIS -1 -2.987 13.515 -12.954 1.00 0.00 ATOM 17 CE1 HIS -1 -2.847 14.560 -13.790 1.00 0.00 ATOM 18 NE2 HIS -1 -3.233 15.689 -13.229 1.00 0.00 ATOM 19 O HIS -1 -4.213 11.557 -8.439 1.00 0.00 ATOM 20 C HIS -1 -3.137 12.163 -8.404 1.00 0.00 ATOM 21 N MET 1 -2.361 12.156 -7.324 1.00 0.00 ATOM 22 CA MET 1 -2.664 11.307 -6.176 1.00 0.00 ATOM 23 CB MET 1 -1.595 11.469 -5.092 1.00 0.00 ATOM 24 CG MET 1 -1.785 10.556 -3.890 1.00 0.00 ATOM 25 SD MET 1 -0.487 10.756 -2.655 1.00 0.00 ATOM 26 CE MET 1 -0.887 12.377 -2.004 1.00 0.00 ATOM 27 O MET 1 -4.843 10.843 -5.252 1.00 0.00 ATOM 28 C MET 1 -4.030 11.704 -5.592 1.00 0.00 ATOM 29 N ALA 2 -4.267 13.011 -5.501 1.00 0.00 ATOM 30 CA ALA 2 -5.526 13.514 -4.983 1.00 0.00 ATOM 31 CB ALA 2 -5.533 15.052 -5.017 1.00 0.00 ATOM 32 O ALA 2 -7.689 12.459 -4.996 1.00 0.00 ATOM 33 C ALA 2 -6.762 12.930 -5.674 1.00 0.00 ATOM 34 N LYS 3 -6.754 12.873 -7.008 1.00 0.00 ATOM 35 CA LYS 3 -7.925 12.342 -7.724 1.00 0.00 ATOM 36 CB LYS 3 -7.931 12.793 -9.202 1.00 0.00 ATOM 37 CG LYS 3 -6.839 12.229 -10.084 1.00 0.00 ATOM 38 CD LYS 3 -6.983 12.821 -11.483 1.00 0.00 ATOM 39 CE LYS 3 -6.130 12.094 -12.518 1.00 0.00 ATOM 40 NZ LYS 3 -6.034 12.935 -13.748 1.00 0.00 ATOM 41 O LYS 3 -9.279 10.363 -7.888 1.00 0.00 ATOM 42 C LYS 3 -8.187 10.847 -7.592 1.00 0.00 ATOM 43 N HIS 4 -7.231 10.123 -7.052 1.00 0.00 ATOM 44 CA HIS 4 -7.363 8.681 -6.873 1.00 0.00 ATOM 45 CB HIS 4 -6.267 7.979 -7.748 1.00 0.00 ATOM 46 CG HIS 4 -6.190 8.507 -9.144 1.00 0.00 ATOM 47 CD2 HIS 4 -5.111 8.801 -9.910 1.00 0.00 ATOM 48 ND1 HIS 4 -7.282 8.739 -9.925 1.00 0.00 ATOM 49 CE1 HIS 4 -6.884 9.157 -11.093 1.00 0.00 ATOM 50 NE2 HIS 4 -5.527 9.227 -11.129 1.00 0.00 ATOM 51 O HIS 4 -7.681 7.025 -5.168 1.00 0.00 ATOM 52 C HIS 4 -7.736 8.217 -5.469 1.00 0.00 ATOM 53 N GLU 5 -8.127 9.159 -4.619 1.00 0.00 ATOM 54 CA GLU 5 -8.510 8.830 -3.249 1.00 0.00 ATOM 55 CB GLU 5 -8.882 10.119 -2.507 1.00 0.00 ATOM 56 CG GLU 5 -7.644 10.987 -2.253 1.00 0.00 ATOM 57 CD GLU 5 -6.752 10.352 -1.200 1.00 0.00 ATOM 58 OE1 GLU 5 -7.209 9.423 -0.494 1.00 0.00 ATOM 59 OE2 GLU 5 -5.592 10.779 -1.066 1.00 0.00 ATOM 60 O GLU 5 -9.671 6.865 -2.445 1.00 0.00 ATOM 61 C GLU 5 -9.671 7.845 -3.205 1.00 0.00 ATOM 62 N GLN 6 -10.685 8.122 -4.015 1.00 0.00 ATOM 63 CA GLN 6 -11.882 7.271 -4.101 1.00 0.00 ATOM 64 CB GLN 6 -12.788 7.990 -5.086 1.00 0.00 ATOM 65 CG GLN 6 -13.866 7.307 -5.879 1.00 0.00 ATOM 66 CD GLN 6 -14.504 8.296 -6.851 1.00 0.00 ATOM 67 OE1 GLN 6 -14.466 8.133 -8.068 1.00 0.00 ATOM 68 NE2 GLN 6 -15.092 9.355 -6.303 1.00 0.00 ATOM 69 O GLN 6 -12.034 4.844 -3.974 1.00 0.00 ATOM 70 C GLN 6 -11.549 5.853 -4.523 1.00 0.00 ATOM 71 N ILE 7 -10.687 5.728 -5.534 1.00 0.00 ATOM 72 CA ILE 7 -10.254 4.437 -6.028 1.00 0.00 ATOM 73 CB ILE 7 -9.370 4.577 -7.282 1.00 0.00 ATOM 74 CG1 ILE 7 -10.192 5.121 -8.453 1.00 0.00 ATOM 75 CG2 ILE 7 -8.795 3.227 -7.684 1.00 0.00 ATOM 76 CD1 ILE 7 -9.356 5.522 -9.649 1.00 0.00 ATOM 77 O ILE 7 -9.654 2.541 -4.676 1.00 0.00 ATOM 78 C ILE 7 -9.447 3.733 -4.938 1.00 0.00 ATOM 79 N LEU 8 -8.523 4.419 -4.294 1.00 0.00 ATOM 80 CA LEU 8 -7.651 3.785 -3.310 1.00 0.00 ATOM 81 CB LEU 8 -6.238 4.397 -3.380 1.00 0.00 ATOM 82 CG LEU 8 -5.470 3.873 -4.589 1.00 0.00 ATOM 83 CD1 LEU 8 -4.286 4.766 -4.887 1.00 0.00 ATOM 84 CD2 LEU 8 -5.040 2.425 -4.343 1.00 0.00 ATOM 85 O LEU 8 -8.514 5.255 -1.620 1.00 0.00 ATOM 86 C LEU 8 -8.212 4.097 -1.922 1.00 0.00 ATOM 87 N VAL 9 -8.345 3.093 -1.084 1.00 0.00 ATOM 88 CA VAL 9 -8.908 3.303 0.256 1.00 0.00 ATOM 89 CB VAL 9 -10.257 2.577 0.422 1.00 0.00 ATOM 90 CG1 VAL 9 -10.790 2.761 1.834 1.00 0.00 ATOM 91 CG2 VAL 9 -11.283 3.135 -0.555 1.00 0.00 ATOM 92 O VAL 9 -7.187 1.752 0.881 1.00 0.00 ATOM 93 C VAL 9 -7.861 2.729 1.216 1.00 0.00 ATOM 94 N LEU 10 -7.663 3.474 2.307 1.00 0.00 ATOM 95 CA LEU 10 -6.711 2.940 3.276 1.00 0.00 ATOM 96 CB LEU 10 -5.518 3.885 3.433 1.00 0.00 ATOM 97 CG LEU 10 -4.699 4.156 2.170 1.00 0.00 ATOM 98 CD1 LEU 10 -5.596 4.626 1.036 1.00 0.00 ATOM 99 CD2 LEU 10 -3.655 5.232 2.425 1.00 0.00 ATOM 100 O LEU 10 -8.354 3.508 4.982 1.00 0.00 ATOM 101 C LEU 10 -7.410 2.789 4.611 1.00 0.00 ATOM 102 N ASP 11 -6.885 1.890 5.450 1.00 0.00 ATOM 103 CA ASP 11 -7.367 1.659 6.812 1.00 0.00 ATOM 104 CB ASP 11 -8.225 0.394 6.871 1.00 0.00 ATOM 105 CG ASP 11 -8.823 0.158 8.243 1.00 0.00 ATOM 106 OD1 ASP 11 -9.481 -0.886 8.434 1.00 0.00 ATOM 107 OD2 ASP 11 -8.635 1.019 9.129 1.00 0.00 ATOM 108 O ASP 11 -5.329 0.561 7.443 1.00 0.00 ATOM 109 C ASP 11 -6.092 1.514 7.644 1.00 0.00 ATOM 110 N PRO 12 -5.835 2.473 8.529 1.00 0.00 ATOM 111 CA PRO 12 -6.665 3.615 8.784 1.00 0.00 ATOM 112 CB PRO 12 -5.954 4.343 9.927 1.00 0.00 ATOM 113 CG PRO 12 -5.072 3.305 10.539 1.00 0.00 ATOM 114 CD PRO 12 -4.559 2.470 9.400 1.00 0.00 ATOM 115 O PRO 12 -6.072 4.138 6.627 1.00 0.00 ATOM 116 C PRO 12 -6.740 4.430 7.568 1.00 0.00 ATOM 117 N PRO 13 -7.440 5.532 7.579 1.00 0.00 ATOM 118 CA PRO 13 -7.506 6.379 6.429 1.00 0.00 ATOM 119 CB PRO 13 -8.798 7.175 6.631 1.00 0.00 ATOM 120 CG PRO 13 -8.968 7.241 8.113 1.00 0.00 ATOM 121 CD PRO 13 -8.601 5.881 8.636 1.00 0.00 ATOM 122 O PRO 13 -6.360 7.803 4.916 1.00 0.00 ATOM 123 C PRO 13 -6.436 7.383 6.113 1.00 0.00 ATOM 124 N SER 14 -5.548 7.822 7.029 1.00 0.00 ATOM 125 CA SER 14 -4.606 8.898 6.715 1.00 0.00 ATOM 126 CB SER 14 -4.986 10.178 7.461 1.00 0.00 ATOM 127 OG SER 14 -4.982 9.971 8.863 1.00 0.00 ATOM 128 O SER 14 -2.252 9.301 6.647 1.00 0.00 ATOM 129 C SER 14 -3.173 8.596 7.085 1.00 0.00 ATOM 130 N ASP 15 -3.050 7.634 7.986 1.00 0.00 ATOM 131 CA ASP 15 -1.709 7.215 8.413 1.00 0.00 ATOM 132 CB ASP 15 -1.036 8.323 9.227 1.00 0.00 ATOM 133 CG ASP 15 -1.786 8.645 10.504 1.00 0.00 ATOM 134 OD1 ASP 15 -1.588 9.753 11.045 1.00 0.00 ATOM 135 OD2 ASP 15 -2.570 7.790 10.964 1.00 0.00 ATOM 136 O ASP 15 -2.948 5.549 9.567 1.00 0.00 ATOM 137 C ASP 15 -1.845 5.968 9.271 1.00 0.00 ATOM 138 N LEU 16 -0.710 5.422 9.633 1.00 0.00 ATOM 139 CA LEU 16 -0.684 4.253 10.510 1.00 0.00 ATOM 140 CB LEU 16 -0.305 2.998 9.720 1.00 0.00 ATOM 141 CG LEU 16 -0.213 1.697 10.519 1.00 0.00 ATOM 142 CD1 LEU 16 -1.567 1.331 11.108 1.00 0.00 ATOM 143 CD2 LEU 16 0.245 0.551 9.628 1.00 0.00 ATOM 144 O LEU 16 1.450 5.009 11.349 1.00 0.00 ATOM 145 C LEU 16 0.344 4.503 11.590 1.00 0.00 ATOM 146 N LYS 17 -0.061 4.289 12.841 1.00 0.00 ATOM 147 CA LYS 17 0.868 4.571 13.935 1.00 0.00 ATOM 148 CB LYS 17 0.152 5.296 15.074 1.00 0.00 ATOM 149 CG LYS 17 -0.385 6.668 14.697 1.00 0.00 ATOM 150 CD LYS 17 -1.071 7.336 15.876 1.00 0.00 ATOM 151 CE LYS 17 -1.608 8.707 15.500 1.00 0.00 ATOM 152 NZ LYS 17 -2.294 9.369 16.643 1.00 0.00 ATOM 153 O LYS 17 0.648 2.414 14.756 1.00 0.00 ATOM 154 C LYS 17 1.457 3.285 14.483 1.00 0.00 ATOM 155 N PHE 18 2.763 3.168 14.566 1.00 0.00 ATOM 156 CA PHE 18 3.370 2.002 15.191 1.00 0.00 ATOM 157 CB PHE 18 4.582 1.531 14.385 1.00 0.00 ATOM 158 CG PHE 18 4.232 0.961 13.040 1.00 0.00 ATOM 159 CD1 PHE 18 4.325 1.739 11.898 1.00 0.00 ATOM 160 CD2 PHE 18 3.809 -0.349 12.916 1.00 0.00 ATOM 161 CE1 PHE 18 4.003 1.215 10.660 1.00 0.00 ATOM 162 CE2 PHE 18 3.486 -0.873 11.679 1.00 0.00 ATOM 163 CZ PHE 18 3.582 -0.097 10.555 1.00 0.00 ATOM 164 O PHE 18 4.661 3.278 16.716 1.00 0.00 ATOM 165 C PHE 18 3.822 2.368 16.608 1.00 0.00 ATOM 166 N LYS 19 3.368 1.619 17.564 1.00 0.00 ATOM 167 CA LYS 19 3.689 1.846 18.965 1.00 0.00 ATOM 168 CB LYS 19 2.564 1.658 19.889 1.00 0.00 ATOM 169 CG LYS 19 1.292 2.490 19.649 1.00 0.00 ATOM 170 CD LYS 19 0.218 2.062 20.620 1.00 0.00 ATOM 171 CE LYS 19 -1.096 2.879 20.472 1.00 0.00 ATOM 172 NZ LYS 19 -2.049 2.272 21.488 1.00 0.00 ATOM 173 O LYS 19 5.074 -0.096 19.112 1.00 0.00 ATOM 174 C LYS 19 4.936 1.104 19.419 1.00 0.00 ATOM 175 N GLY 20 5.818 1.710 20.176 1.00 0.00 ATOM 176 CA GLY 20 6.946 0.959 20.789 1.00 0.00 ATOM 177 O GLY 20 5.132 0.120 22.139 1.00 0.00 ATOM 178 C GLY 20 6.314 -0.034 21.759 1.00 0.00 ATOM 179 N PRO 21 7.048 -0.989 22.293 1.00 0.00 ATOM 180 CA PRO 21 8.445 -1.283 22.058 1.00 0.00 ATOM 181 CB PRO 21 8.738 -2.511 22.962 1.00 0.00 ATOM 182 CG PRO 21 7.393 -3.108 23.183 1.00 0.00 ATOM 183 CD PRO 21 6.453 -1.944 23.320 1.00 0.00 ATOM 184 O PRO 21 8.173 -2.451 19.936 1.00 0.00 ATOM 185 C PRO 21 8.852 -1.718 20.658 1.00 0.00 ATOM 186 N PHE 22 10.051 -1.347 20.214 1.00 0.00 ATOM 187 CA PHE 22 10.513 -1.691 18.876 1.00 0.00 ATOM 188 CB PHE 22 11.063 -0.450 18.147 1.00 0.00 ATOM 189 CG PHE 22 10.038 0.636 18.043 1.00 0.00 ATOM 190 CD1 PHE 22 8.832 0.435 17.392 1.00 0.00 ATOM 191 CD2 PHE 22 10.247 1.838 18.697 1.00 0.00 ATOM 192 CE1 PHE 22 7.871 1.433 17.333 1.00 0.00 ATOM 193 CE2 PHE 22 9.308 2.837 18.666 1.00 0.00 ATOM 194 CZ PHE 22 8.133 2.631 17.975 1.00 0.00 ATOM 195 O PHE 22 12.545 -2.740 18.039 1.00 0.00 ATOM 196 C PHE 22 11.647 -2.718 18.884 1.00 0.00 ATOM 197 N THR 23 11.576 -3.634 19.809 1.00 0.00 ATOM 198 CA THR 23 12.595 -4.652 20.015 1.00 0.00 ATOM 199 CB THR 23 12.846 -4.421 21.605 1.00 0.00 ATOM 200 CG2 THR 23 13.779 -5.479 22.162 1.00 0.00 ATOM 201 OG1 THR 23 13.497 -3.124 21.697 1.00 0.00 ATOM 202 O THR 23 12.621 -7.058 19.749 1.00 0.00 ATOM 203 C THR 23 12.019 -5.996 19.616 1.00 0.00 ATOM 204 N ASP 24 10.900 -5.939 18.913 1.00 0.00 ATOM 205 CA ASP 24 10.211 -7.168 18.479 1.00 0.00 ATOM 206 CB ASP 24 9.147 -7.458 19.550 1.00 0.00 ATOM 207 CG ASP 24 8.852 -8.925 19.714 1.00 0.00 ATOM 208 OD1 ASP 24 9.249 -9.592 18.747 1.00 0.00 ATOM 209 OD2 ASP 24 8.255 -9.339 20.747 1.00 0.00 ATOM 210 O ASP 24 9.433 -5.647 16.819 1.00 0.00 ATOM 211 C ASP 24 9.582 -6.826 17.131 1.00 0.00 ATOM 212 N VAL 25 9.228 -7.789 16.337 1.00 0.00 ATOM 213 CA VAL 25 8.602 -7.447 15.069 1.00 0.00 ATOM 214 CB VAL 25 8.923 -8.408 13.920 1.00 0.00 ATOM 215 CG1 VAL 25 8.332 -9.796 14.131 1.00 0.00 ATOM 216 CG2 VAL 25 8.437 -7.835 12.623 1.00 0.00 ATOM 217 O VAL 25 6.461 -8.063 15.962 1.00 0.00 ATOM 218 C VAL 25 7.135 -7.246 15.338 1.00 0.00 ATOM 219 N VAL 26 6.557 -6.176 14.887 1.00 0.00 ATOM 220 CA VAL 26 5.110 -5.982 15.157 1.00 0.00 ATOM 221 CB VAL 26 4.865 -4.645 15.890 1.00 0.00 ATOM 222 CG1 VAL 26 3.355 -4.458 16.159 1.00 0.00 ATOM 223 CG2 VAL 26 5.649 -4.634 17.222 1.00 0.00 ATOM 224 O VAL 26 4.931 -5.456 12.850 1.00 0.00 ATOM 225 C VAL 26 4.432 -6.064 13.797 1.00 0.00 ATOM 226 N THR 27 3.312 -6.741 13.687 1.00 0.00 ATOM 227 CA THR 27 2.571 -6.877 12.448 1.00 0.00 ATOM 228 CB THR 27 2.551 -8.430 11.997 1.00 0.00 ATOM 229 CG2 THR 27 1.721 -9.252 12.971 1.00 0.00 ATOM 230 OG1 THR 27 1.996 -8.565 10.695 1.00 0.00 ATOM 231 O THR 27 0.442 -6.331 13.450 1.00 0.00 ATOM 232 C THR 27 1.262 -6.110 12.558 1.00 0.00 ATOM 233 N THR 28 1.093 -5.105 11.666 1.00 0.00 ATOM 234 CA THR 28 -0.124 -4.295 11.700 1.00 0.00 ATOM 235 CB THR 28 0.205 -2.789 11.583 1.00 0.00 ATOM 236 CG2 THR 28 0.973 -2.295 12.808 1.00 0.00 ATOM 237 OG1 THR 28 0.980 -2.561 10.402 1.00 0.00 ATOM 238 O THR 28 -0.516 -5.345 9.574 1.00 0.00 ATOM 239 C THR 28 -0.955 -4.639 10.482 1.00 0.00 ATOM 240 N ASN 29 -2.190 -4.179 10.450 1.00 0.00 ATOM 241 CA ASN 29 -3.087 -4.490 9.339 1.00 0.00 ATOM 242 CB ASN 29 -4.203 -5.432 9.798 1.00 0.00 ATOM 243 CG ASN 29 -3.680 -6.786 10.236 1.00 0.00 ATOM 244 ND2 ASN 29 -3.857 -7.102 11.513 1.00 0.00 ATOM 245 OD1 ASN 29 -3.123 -7.536 9.435 1.00 0.00 ATOM 246 O ASN 29 -3.967 -2.217 9.416 1.00 0.00 ATOM 247 C ASN 29 -3.739 -3.254 8.772 1.00 0.00 ATOM 248 N LEU 30 -3.887 -3.223 7.464 1.00 0.00 ATOM 249 CA LEU 30 -4.514 -2.068 6.811 1.00 0.00 ATOM 250 CB LEU 30 -3.491 -1.319 5.953 1.00 0.00 ATOM 251 CG LEU 30 -4.011 -0.099 5.190 1.00 0.00 ATOM 252 CD1 LEU 30 -2.859 0.684 4.580 1.00 0.00 ATOM 253 CD2 LEU 30 -4.945 -0.525 4.067 1.00 0.00 ATOM 254 O LEU 30 -5.431 -3.712 5.335 1.00 0.00 ATOM 255 C LEU 30 -5.616 -2.660 5.962 1.00 0.00 ATOM 256 N LYS 31 -6.788 -2.060 6.012 1.00 0.00 ATOM 257 CA LYS 31 -7.876 -2.566 5.180 1.00 0.00 ATOM 258 CB LYS 31 -9.205 -2.494 5.933 1.00 0.00 ATOM 259 CG LYS 31 -10.399 -2.996 5.137 1.00 0.00 ATOM 260 CD LYS 31 -11.674 -2.947 5.964 1.00 0.00 ATOM 261 CE LYS 31 -12.870 -3.437 5.162 1.00 0.00 ATOM 262 NZ LYS 31 -14.125 -3.405 5.963 1.00 0.00 ATOM 263 O LYS 31 -8.046 -0.488 3.989 1.00 0.00 ATOM 264 C LYS 31 -7.968 -1.710 3.901 1.00 0.00 ATOM 265 N LEU 32 -7.917 -2.331 2.727 1.00 0.00 ATOM 266 CA LEU 32 -8.065 -1.579 1.489 1.00 0.00 ATOM 267 CB LEU 32 -6.881 -1.768 0.515 1.00 0.00 ATOM 268 CG LEU 32 -5.520 -1.590 1.152 1.00 0.00 ATOM 269 CD1 LEU 32 -4.464 -2.231 0.280 1.00 0.00 ATOM 270 CD2 LEU 32 -5.201 -0.120 1.269 1.00 0.00 ATOM 271 O LEU 32 -9.580 -3.219 0.719 1.00 0.00 ATOM 272 C LEU 32 -9.377 -2.017 0.833 1.00 0.00 ATOM 273 N GLN 33 -10.253 -1.072 0.588 1.00 0.00 ATOM 274 CA GLN 33 -11.548 -1.331 -0.017 1.00 0.00 ATOM 275 CB GLN 33 -12.673 -0.820 0.886 1.00 0.00 ATOM 276 CG GLN 33 -14.068 -1.083 0.346 1.00 0.00 ATOM 277 CD GLN 33 -15.156 -0.624 1.296 1.00 0.00 ATOM 278 OE1 GLN 33 -14.874 -0.088 2.367 1.00 0.00 ATOM 279 NE2 GLN 33 -16.408 -0.833 0.906 1.00 0.00 ATOM 280 O GLN 33 -11.279 0.538 -1.541 1.00 0.00 ATOM 281 C GLN 33 -11.651 -0.620 -1.377 1.00 0.00 ATOM 282 N ASN 34 -12.102 -1.361 -2.364 1.00 0.00 ATOM 283 CA ASN 34 -12.266 -0.839 -3.716 1.00 0.00 ATOM 284 CB ASN 34 -12.094 -1.955 -4.748 1.00 0.00 ATOM 285 CG ASN 34 -12.094 -1.438 -6.173 1.00 0.00 ATOM 286 ND2 ASN 34 -12.116 -0.118 -6.321 1.00 0.00 ATOM 287 OD1 ASN 34 -12.075 -2.216 -7.125 1.00 0.00 ATOM 288 O ASN 34 -14.654 -0.968 -4.022 1.00 0.00 ATOM 289 C ASN 34 -13.680 -0.261 -3.782 1.00 0.00 ATOM 290 N PRO 35 -13.832 1.026 -3.515 1.00 0.00 ATOM 291 CA PRO 35 -15.130 1.657 -3.514 1.00 0.00 ATOM 292 CB PRO 35 -14.903 2.967 -2.757 1.00 0.00 ATOM 293 CG PRO 35 -13.589 2.783 -2.076 1.00 0.00 ATOM 294 CD PRO 35 -12.727 2.009 -3.033 1.00 0.00 ATOM 295 O PRO 35 -16.797 2.389 -5.071 1.00 0.00 ATOM 296 C PRO 35 -15.653 1.927 -4.941 1.00 0.00 ATOM 297 N SER 36 -14.802 1.814 -5.946 1.00 0.00 ATOM 298 CA SER 36 -15.194 2.239 -7.292 1.00 0.00 ATOM 299 CB SER 36 -13.962 2.413 -8.180 1.00 0.00 ATOM 300 OG SER 36 -13.341 1.167 -8.442 1.00 0.00 ATOM 301 O SER 36 -16.339 0.138 -7.488 1.00 0.00 ATOM 302 C SER 36 -16.103 1.249 -7.983 1.00 0.00 ATOM 303 N ASP 37 -16.550 1.613 -9.201 1.00 0.00 ATOM 304 CA ASP 37 -17.414 0.655 -9.905 1.00 0.00 ATOM 305 CB ASP 37 -18.392 1.391 -10.823 1.00 0.00 ATOM 306 CG ASP 37 -17.690 2.176 -11.912 1.00 0.00 ATOM 307 OD1 ASP 37 -18.368 2.953 -12.618 1.00 0.00 ATOM 308 OD2 ASP 37 -16.460 2.016 -12.062 1.00 0.00 ATOM 309 O ASP 37 -17.217 -1.170 -11.440 1.00 0.00 ATOM 310 C ASP 37 -16.619 -0.311 -10.763 1.00 0.00 ATOM 311 N ARG 38 -15.287 -0.224 -10.828 1.00 0.00 ATOM 312 CA ARG 38 -14.526 -1.117 -11.684 1.00 0.00 ATOM 313 CB ARG 38 -13.778 -0.323 -12.757 1.00 0.00 ATOM 314 CG ARG 38 -14.684 0.419 -13.726 1.00 0.00 ATOM 315 CD ARG 38 -13.878 1.202 -14.746 1.00 0.00 ATOM 316 NE ARG 38 -14.734 1.937 -15.674 1.00 0.00 ATOM 317 CZ ARG 38 -14.284 2.772 -16.606 1.00 0.00 ATOM 318 NH1 ARG 38 -15.139 3.396 -17.405 1.00 0.00 ATOM 319 NH2 ARG 38 -12.982 2.979 -16.737 1.00 0.00 ATOM 320 O ARG 38 -13.041 -1.664 -9.849 1.00 0.00 ATOM 321 C ARG 38 -13.486 -1.941 -10.964 1.00 0.00 ATOM 322 N LYS 39 -13.102 -3.071 -11.568 1.00 0.00 ATOM 323 CA LYS 39 -12.068 -3.931 -11.019 1.00 0.00 ATOM 324 CB LYS 39 -11.961 -5.225 -11.828 1.00 0.00 ATOM 325 CG LYS 39 -13.176 -6.131 -11.713 1.00 0.00 ATOM 326 CD LYS 39 -12.996 -7.402 -12.528 1.00 0.00 ATOM 327 CE LYS 39 -14.211 -8.309 -12.412 1.00 0.00 ATOM 328 NZ LYS 39 -14.054 -9.551 -13.218 1.00 0.00 ATOM 329 O LYS 39 -10.402 -2.526 -12.039 1.00 0.00 ATOM 330 C LYS 39 -10.722 -3.200 -11.066 1.00 0.00 ATOM 331 N VAL 40 -9.939 -3.316 -9.992 1.00 0.00 ATOM 332 CA VAL 40 -8.671 -2.600 -9.955 1.00 0.00 ATOM 333 CB VAL 40 -8.680 -1.438 -8.935 1.00 0.00 ATOM 334 CG1 VAL 40 -8.963 -2.016 -7.525 1.00 0.00 ATOM 335 CG2 VAL 40 -9.669 -0.346 -9.298 1.00 0.00 ATOM 336 O VAL 40 -7.875 -4.464 -8.753 1.00 0.00 ATOM 337 C VAL 40 -7.573 -3.556 -9.513 1.00 0.00 ATOM 338 N CYS 41 -6.371 -3.300 -9.958 1.00 0.00 ATOM 339 CA CYS 41 -5.161 -4.069 -9.639 1.00 0.00 ATOM 340 CB CYS 41 -4.416 -4.511 -10.819 1.00 0.00 ATOM 341 SG CYS 41 -5.239 -5.836 -11.729 1.00 0.00 ATOM 342 O CYS 41 -4.500 -1.877 -8.924 1.00 0.00 ATOM 343 C CYS 41 -4.388 -3.089 -8.748 1.00 0.00 ATOM 344 N PHE 42 -3.683 -3.592 -7.747 1.00 0.00 ATOM 345 CA PHE 42 -3.016 -2.675 -6.835 1.00 0.00 ATOM 346 CB PHE 42 -3.866 -2.503 -5.546 1.00 0.00 ATOM 347 CG PHE 42 -3.940 -3.725 -4.659 1.00 0.00 ATOM 348 CD1 PHE 42 -2.914 -4.067 -3.787 1.00 0.00 ATOM 349 CD2 PHE 42 -5.051 -4.578 -4.719 1.00 0.00 ATOM 350 CE1 PHE 42 -2.975 -5.208 -3.009 1.00 0.00 ATOM 351 CE2 PHE 42 -5.134 -5.715 -3.928 1.00 0.00 ATOM 352 CZ PHE 42 -4.066 -6.035 -3.100 1.00 0.00 ATOM 353 O PHE 42 -1.411 -4.418 -6.448 1.00 0.00 ATOM 354 C PHE 42 -1.638 -3.207 -6.489 1.00 0.00 ATOM 355 N LYS 43 -0.742 -2.277 -6.198 1.00 0.00 ATOM 356 CA LYS 43 0.607 -2.708 -5.744 1.00 0.00 ATOM 357 CB LYS 43 1.663 -2.245 -6.726 1.00 0.00 ATOM 358 CG LYS 43 1.665 -3.017 -8.022 1.00 0.00 ATOM 359 CD LYS 43 2.444 -2.262 -9.106 1.00 0.00 ATOM 360 CE LYS 43 1.489 -1.529 -10.071 1.00 0.00 ATOM 361 NZ LYS 43 2.116 -1.165 -11.382 1.00 0.00 ATOM 362 O LYS 43 0.370 -0.741 -4.378 1.00 0.00 ATOM 363 C LYS 43 0.885 -1.851 -4.493 1.00 0.00 ATOM 364 N VAL 44 1.587 -2.425 -3.534 1.00 0.00 ATOM 365 CA VAL 44 1.956 -1.757 -2.330 1.00 0.00 ATOM 366 CB VAL 44 1.531 -2.564 -1.079 1.00 0.00 ATOM 367 CG1 VAL 44 2.071 -1.911 0.185 1.00 0.00 ATOM 368 CG2 VAL 44 0.014 -2.669 -1.014 1.00 0.00 ATOM 369 O VAL 44 4.182 -2.451 -2.719 1.00 0.00 ATOM 370 C VAL 44 3.463 -1.551 -2.310 1.00 0.00 ATOM 371 N LYS 45 3.924 -0.418 -1.838 1.00 0.00 ATOM 372 CA LYS 45 5.339 -0.127 -1.706 1.00 0.00 ATOM 373 CB LYS 45 5.864 0.839 -2.796 1.00 0.00 ATOM 374 CG LYS 45 5.776 0.188 -4.175 1.00 0.00 ATOM 375 CD LYS 45 6.778 0.717 -5.165 1.00 0.00 ATOM 376 CE LYS 45 6.542 0.139 -6.562 1.00 0.00 ATOM 377 NZ LYS 45 6.668 1.193 -7.625 1.00 0.00 ATOM 378 O LYS 45 4.777 1.131 0.247 1.00 0.00 ATOM 379 C LYS 45 5.647 0.505 -0.368 1.00 0.00 ATOM 380 N THR 46 6.872 0.313 0.132 1.00 0.00 ATOM 381 CA THR 46 7.259 0.955 1.380 1.00 0.00 ATOM 382 CB THR 46 7.355 0.098 2.637 1.00 0.00 ATOM 383 CG2 THR 46 6.452 -1.105 2.586 1.00 0.00 ATOM 384 OG1 THR 46 8.742 -0.231 2.823 1.00 0.00 ATOM 385 O THR 46 9.351 1.267 0.290 1.00 0.00 ATOM 386 C THR 46 8.602 1.663 1.172 1.00 0.00 ATOM 387 N THR 47 8.882 2.629 2.013 1.00 0.00 ATOM 388 CA THR 47 10.118 3.399 1.993 1.00 0.00 ATOM 389 CB THR 47 9.895 4.759 2.692 1.00 0.00 ATOM 390 CG2 THR 47 9.200 5.690 1.735 1.00 0.00 ATOM 391 OG1 THR 47 9.064 4.545 3.864 1.00 0.00 ATOM 392 O THR 47 12.375 3.182 2.737 1.00 0.00 ATOM 393 C THR 47 11.242 2.682 2.716 1.00 0.00 ATOM 394 N ALA 48 10.947 1.525 3.302 1.00 0.00 ATOM 395 CA ALA 48 12.087 0.883 4.024 1.00 0.00 ATOM 396 CB ALA 48 12.009 1.423 5.433 1.00 0.00 ATOM 397 O ALA 48 11.261 -1.248 4.739 1.00 0.00 ATOM 398 C ALA 48 11.918 -0.612 3.913 1.00 0.00 ATOM 399 N PRO 49 12.433 -1.180 2.807 1.00 0.00 ATOM 400 CA PRO 49 12.318 -2.615 2.583 1.00 0.00 ATOM 401 CB PRO 49 13.070 -2.750 1.245 1.00 0.00 ATOM 402 CG PRO 49 12.676 -1.500 0.533 1.00 0.00 ATOM 403 CD PRO 49 12.832 -0.447 1.610 1.00 0.00 ATOM 404 O PRO 49 12.391 -4.428 4.180 1.00 0.00 ATOM 405 C PRO 49 12.965 -3.404 3.721 1.00 0.00 ATOM 406 N ARG 50 14.080 -2.941 4.287 1.00 0.00 ATOM 407 CA ARG 50 14.745 -3.673 5.357 1.00 0.00 ATOM 408 CB ARG 50 16.049 -2.984 5.782 1.00 0.00 ATOM 409 CG ARG 50 17.118 -2.938 4.687 1.00 0.00 ATOM 410 CD ARG 50 18.249 -1.976 5.062 1.00 0.00 ATOM 411 NE ARG 50 18.995 -2.462 6.208 1.00 0.00 ATOM 412 CZ ARG 50 19.589 -1.736 7.137 1.00 0.00 ATOM 413 NH1 ARG 50 19.571 -0.404 7.136 1.00 0.00 ATOM 414 NH2 ARG 50 20.234 -2.367 8.105 1.00 0.00 ATOM 415 O ARG 50 13.825 -4.976 7.139 1.00 0.00 ATOM 416 C ARG 50 13.886 -3.871 6.608 1.00 0.00 ATOM 417 N ARG 51 13.243 -2.825 7.081 1.00 0.00 ATOM 418 CA ARG 51 12.403 -2.806 8.256 1.00 0.00 ATOM 419 CB ARG 51 12.450 -1.435 8.930 1.00 0.00 ATOM 420 CG ARG 51 13.803 -1.084 9.528 1.00 0.00 ATOM 421 CD ARG 51 13.727 0.188 10.357 1.00 0.00 ATOM 422 NE ARG 51 13.414 1.357 9.540 1.00 0.00 ATOM 423 CZ ARG 51 14.324 2.089 8.904 1.00 0.00 ATOM 424 NH1 ARG 51 13.945 3.136 8.182 1.00 0.00 ATOM 425 NH2 ARG 51 15.608 1.773 8.989 1.00 0.00 ATOM 426 O ARG 51 10.251 -3.807 8.656 1.00 0.00 ATOM 427 C ARG 51 10.954 -3.106 7.907 1.00 0.00 ATOM 428 N TYR 52 10.452 -2.617 6.752 1.00 0.00 ATOM 429 CA TYR 52 9.037 -2.797 6.489 1.00 0.00 ATOM 430 CB TYR 52 8.404 -1.481 6.030 1.00 0.00 ATOM 431 CG TYR 52 8.385 -0.408 7.096 1.00 0.00 ATOM 432 CD1 TYR 52 9.359 0.582 7.127 1.00 0.00 ATOM 433 CD2 TYR 52 7.392 -0.388 8.069 1.00 0.00 ATOM 434 CE1 TYR 52 9.351 1.567 8.097 1.00 0.00 ATOM 435 CE2 TYR 52 7.367 0.588 9.047 1.00 0.00 ATOM 436 CZ TYR 52 8.358 1.570 9.052 1.00 0.00 ATOM 437 OH TYR 52 8.345 2.550 10.018 1.00 0.00 ATOM 438 O TYR 52 9.259 -3.800 4.340 1.00 0.00 ATOM 439 C TYR 52 8.690 -3.799 5.428 1.00 0.00 ATOM 440 N CYS 53 7.607 -4.522 5.618 1.00 0.00 ATOM 441 CA CYS 53 7.134 -5.556 4.730 1.00 0.00 ATOM 442 CB CYS 53 7.589 -6.931 5.218 1.00 0.00 ATOM 443 SG CYS 53 7.035 -8.310 4.187 1.00 0.00 ATOM 444 O CYS 53 4.930 -5.240 5.663 1.00 0.00 ATOM 445 C CYS 53 5.614 -5.538 4.668 1.00 0.00 ATOM 446 N VAL 54 5.076 -5.724 3.474 1.00 0.00 ATOM 447 CA VAL 54 3.660 -5.761 3.222 1.00 0.00 ATOM 448 CB VAL 54 3.228 -4.612 2.293 1.00 0.00 ATOM 449 CG1 VAL 54 1.740 -4.742 1.898 1.00 0.00 ATOM 450 CG2 VAL 54 3.467 -3.276 3.002 1.00 0.00 ATOM 451 O VAL 54 4.060 -7.588 1.684 1.00 0.00 ATOM 452 C VAL 54 3.316 -7.083 2.508 1.00 0.00 ATOM 453 N ARG 55 2.162 -7.603 2.900 1.00 0.00 ATOM 454 CA ARG 55 1.678 -8.856 2.375 1.00 0.00 ATOM 455 CB ARG 55 2.442 -10.015 2.867 1.00 0.00 ATOM 456 CG ARG 55 2.281 -11.283 2.029 1.00 0.00 ATOM 457 CD ARG 55 3.477 -12.302 2.191 1.00 0.00 ATOM 458 NE ARG 55 3.902 -12.533 3.564 1.00 0.00 ATOM 459 CZ ARG 55 5.137 -12.429 4.108 1.00 0.00 ATOM 460 NH1 ARG 55 6.237 -12.077 3.431 1.00 0.00 ATOM 461 NH2 ARG 55 5.283 -12.692 5.404 1.00 0.00 ATOM 462 O ARG 55 -0.377 -8.928 3.503 1.00 0.00 ATOM 463 C ARG 55 0.175 -8.974 2.414 1.00 0.00 ATOM 464 N PRO 56 -0.493 -9.192 1.303 1.00 0.00 ATOM 465 CA PRO 56 0.108 -9.300 -0.008 1.00 0.00 ATOM 466 CB PRO 56 -1.051 -9.750 -0.913 1.00 0.00 ATOM 467 CG PRO 56 -2.269 -9.224 -0.225 1.00 0.00 ATOM 468 CD PRO 56 -1.968 -9.331 1.243 1.00 0.00 ATOM 469 O PRO 56 -0.046 -6.923 -0.274 1.00 0.00 ATOM 470 C PRO 56 0.603 -7.940 -0.513 1.00 0.00 ATOM 471 N ASN 57 1.642 -7.970 -1.319 1.00 0.00 ATOM 472 CA ASN 57 2.251 -6.780 -1.882 1.00 0.00 ATOM 473 CB ASN 57 3.542 -7.217 -2.660 1.00 0.00 ATOM 474 CG ASN 57 4.627 -7.835 -1.802 1.00 0.00 ATOM 475 ND2 ASN 57 5.131 -9.010 -2.207 1.00 0.00 ATOM 476 OD1 ASN 57 5.030 -7.247 -0.781 1.00 0.00 ATOM 477 O ASN 57 1.849 -5.258 -3.674 1.00 0.00 ATOM 478 C ASN 57 1.560 -6.334 -3.149 1.00 0.00 ATOM 479 N SER 58 0.600 -7.100 -3.665 1.00 0.00 ATOM 480 CA SER 58 -0.106 -6.705 -4.876 1.00 0.00 ATOM 481 CB SER 58 0.795 -7.149 -6.096 1.00 0.00 ATOM 482 OG SER 58 0.071 -6.969 -7.305 1.00 0.00 ATOM 483 O SER 58 -1.247 -8.685 -4.370 1.00 0.00 ATOM 484 C SER 58 -1.314 -7.626 -4.975 1.00 0.00 ATOM 485 N GLY 59 -2.354 -7.203 -5.653 1.00 0.00 ATOM 486 CA GLY 59 -3.529 -8.045 -5.810 1.00 0.00 ATOM 487 O GLY 59 -4.203 -6.389 -7.383 1.00 0.00 ATOM 488 C GLY 59 -4.536 -7.404 -6.778 1.00 0.00 ATOM 489 N VAL 60 -5.752 -7.951 -6.762 1.00 0.00 ATOM 490 CA VAL 60 -6.846 -7.456 -7.603 1.00 0.00 ATOM 491 CB VAL 60 -7.313 -8.446 -8.644 1.00 0.00 ATOM 492 CG1 VAL 60 -8.452 -7.823 -9.452 1.00 0.00 ATOM 493 CG2 VAL 60 -6.239 -8.890 -9.626 1.00 0.00 ATOM 494 O VAL 60 -8.233 -8.155 -5.806 1.00 0.00 ATOM 495 C VAL 60 -8.068 -7.342 -6.704 1.00 0.00 ATOM 496 N ILE 61 -8.916 -6.372 -6.917 1.00 0.00 ATOM 497 CA ILE 61 -10.081 -6.120 -6.077 1.00 0.00 ATOM 498 CB ILE 61 -9.843 -4.937 -5.120 1.00 0.00 ATOM 499 CG1 ILE 61 -8.643 -5.219 -4.214 1.00 0.00 ATOM 500 CG2 ILE 61 -11.065 -4.705 -4.244 1.00 0.00 ATOM 501 CD1 ILE 61 -8.186 -4.018 -3.415 1.00 0.00 ATOM 502 O ILE 61 -11.287 -4.839 -7.750 1.00 0.00 ATOM 503 C ILE 61 -11.295 -5.789 -6.947 1.00 0.00 ATOM 504 N ASP 62 -12.312 -6.684 -6.856 1.00 0.00 ATOM 505 CA ASP 62 -13.496 -6.414 -7.677 1.00 0.00 ATOM 506 CB ASP 62 -14.440 -7.619 -7.666 1.00 0.00 ATOM 507 CG ASP 62 -13.906 -8.786 -8.472 1.00 0.00 ATOM 508 OD1 ASP 62 -14.726 -9.575 -8.990 1.00 0.00 ATOM 509 OD2 ASP 62 -12.669 -8.912 -8.587 1.00 0.00 ATOM 510 O ASP 62 -13.841 -4.801 -5.976 1.00 0.00 ATOM 511 C ASP 62 -14.182 -5.202 -7.076 1.00 0.00 ATOM 512 N PRO 63 -15.151 -4.626 -7.760 1.00 0.00 ATOM 513 CA PRO 63 -15.870 -3.491 -7.200 1.00 0.00 ATOM 514 CB PRO 63 -16.883 -3.123 -8.285 1.00 0.00 ATOM 515 CG PRO 63 -16.279 -3.635 -9.551 1.00 0.00 ATOM 516 CD PRO 63 -15.607 -4.932 -9.194 1.00 0.00 ATOM 517 O PRO 63 -16.978 -5.062 -5.754 1.00 0.00 ATOM 518 C PRO 63 -16.546 -3.910 -5.906 1.00 0.00 ATOM 519 N GLY 64 -16.263 -2.804 -4.687 1.00 0.00 ATOM 520 CA GLY 64 -16.785 -3.254 -3.419 1.00 0.00 ATOM 521 O GLY 64 -16.318 -4.512 -1.480 1.00 0.00 ATOM 522 C GLY 64 -15.990 -4.294 -2.658 1.00 0.00 ATOM 523 N SER 65 -14.995 -4.966 -3.201 1.00 0.00 ATOM 524 CA SER 65 -14.224 -5.971 -2.506 1.00 0.00 ATOM 525 CB SER 65 -13.607 -6.956 -3.502 1.00 0.00 ATOM 526 OG SER 65 -14.613 -7.674 -4.198 1.00 0.00 ATOM 527 O SER 65 -12.513 -4.294 -2.120 1.00 0.00 ATOM 528 C SER 65 -13.103 -5.289 -1.717 1.00 0.00 ATOM 529 N ILE 66 -12.751 -5.894 -0.588 1.00 0.00 ATOM 530 CA ILE 66 -11.738 -5.448 0.324 1.00 0.00 ATOM 531 CB ILE 66 -12.330 -5.111 1.703 1.00 0.00 ATOM 532 CG1 ILE 66 -12.978 -6.351 2.322 1.00 0.00 ATOM 533 CG2 ILE 66 -13.388 -4.024 1.580 1.00 0.00 ATOM 534 CD1 ILE 66 -13.400 -6.165 3.764 1.00 0.00 ATOM 535 O ILE 66 -10.907 -7.668 0.415 1.00 0.00 ATOM 536 C ILE 66 -10.658 -6.485 0.553 1.00 0.00 ATOM 537 N VAL 67 -9.488 -6.034 0.901 1.00 0.00 ATOM 538 CA VAL 67 -8.387 -6.932 1.220 1.00 0.00 ATOM 539 CB VAL 67 -7.353 -6.982 0.081 1.00 0.00 ATOM 540 CG1 VAL 67 -6.191 -7.890 0.454 1.00 0.00 ATOM 541 CG2 VAL 67 -7.990 -7.518 -1.194 1.00 0.00 ATOM 542 O VAL 67 -7.722 -5.205 2.768 1.00 0.00 ATOM 543 C VAL 67 -7.698 -6.417 2.504 1.00 0.00 ATOM 544 N TYR 68 -7.242 -7.309 3.345 1.00 0.00 ATOM 545 CA TYR 68 -6.606 -6.936 4.608 1.00 0.00 ATOM 546 CB TYR 68 -7.229 -7.711 5.771 1.00 0.00 ATOM 547 CG TYR 68 -8.679 -7.369 6.028 1.00 0.00 ATOM 548 CD1 TYR 68 -9.698 -8.169 5.526 1.00 0.00 ATOM 549 CD2 TYR 68 -9.024 -6.246 6.770 1.00 0.00 ATOM 550 CE1 TYR 68 -11.026 -7.864 5.757 1.00 0.00 ATOM 551 CE2 TYR 68 -10.347 -5.927 7.009 1.00 0.00 ATOM 552 CZ TYR 68 -11.351 -6.746 6.495 1.00 0.00 ATOM 553 OH TYR 68 -12.672 -6.441 6.725 1.00 0.00 ATOM 554 O TYR 68 -4.672 -8.388 4.299 1.00 0.00 ATOM 555 C TYR 68 -5.118 -7.268 4.513 1.00 0.00 ATOM 556 N VAL 69 -4.358 -6.165 4.533 1.00 0.00 ATOM 557 CA VAL 69 -2.878 -6.339 4.314 1.00 0.00 ATOM 558 CB VAL 69 -2.252 -5.067 3.652 1.00 0.00 ATOM 559 CG1 VAL 69 -0.714 -5.270 3.490 1.00 0.00 ATOM 560 CG2 VAL 69 -2.811 -4.892 2.222 1.00 0.00 ATOM 561 O VAL 69 -2.468 -5.804 6.602 1.00 0.00 ATOM 562 C VAL 69 -2.219 -6.601 5.687 1.00 0.00 ATOM 563 N SER 70 -1.406 -7.643 5.730 1.00 0.00 ATOM 564 CA SER 70 -0.730 -7.924 7.052 1.00 0.00 ATOM 565 CB SER 70 -0.694 -9.396 7.339 1.00 0.00 ATOM 566 OG SER 70 0.166 -9.647 8.487 1.00 0.00 ATOM 567 O SER 70 1.466 -7.862 6.147 1.00 0.00 ATOM 568 C SER 70 0.710 -7.345 6.955 1.00 0.00 ATOM 569 N VAL 71 1.020 -6.424 7.856 1.00 0.00 ATOM 570 CA VAL 71 2.295 -5.728 7.863 1.00 0.00 ATOM 571 CB VAL 71 2.130 -4.209 7.644 1.00 0.00 ATOM 572 CG1 VAL 71 3.390 -3.426 7.897 1.00 0.00 ATOM 573 CG2 VAL 71 1.496 -3.892 6.283 1.00 0.00 ATOM 574 O VAL 71 2.330 -6.112 10.235 1.00 0.00 ATOM 575 C VAL 71 2.968 -6.056 9.181 1.00 0.00 ATOM 576 N MET 72 4.285 -6.274 9.130 1.00 0.00 ATOM 577 CA MET 72 5.082 -6.510 10.313 1.00 0.00 ATOM 578 CB MET 72 5.774 -7.810 10.086 1.00 0.00 ATOM 579 CG MET 72 4.811 -8.891 10.549 1.00 0.00 ATOM 580 SD MET 72 5.434 -10.681 10.223 1.00 0.00 ATOM 581 CE MET 72 6.753 -10.805 11.611 1.00 0.00 ATOM 582 O MET 72 7.147 -5.666 9.480 1.00 0.00 ATOM 583 C MET 72 6.280 -5.582 10.348 1.00 0.00 ATOM 584 N LEU 73 6.341 -4.733 11.367 1.00 0.00 ATOM 585 CA LEU 73 7.503 -3.866 11.538 1.00 0.00 ATOM 586 CB LEU 73 7.223 -2.751 12.548 1.00 0.00 ATOM 587 CG LEU 73 8.477 -1.947 12.907 1.00 0.00 ATOM 588 CD1 LEU 73 8.883 -1.074 11.726 1.00 0.00 ATOM 589 CD2 LEU 73 8.210 -1.093 14.137 1.00 0.00 ATOM 590 O LEU 73 8.565 -5.380 13.072 1.00 0.00 ATOM 591 C LEU 73 8.678 -4.689 12.055 1.00 0.00 ATOM 592 N GLN 74 9.957 -4.742 11.525 1.00 0.00 ATOM 593 CA GLN 74 10.976 -5.473 12.236 1.00 0.00 ATOM 594 CB GLN 74 12.225 -5.638 11.367 1.00 0.00 ATOM 595 CG GLN 74 12.031 -6.556 10.172 1.00 0.00 ATOM 596 CD GLN 74 11.670 -7.971 10.577 1.00 0.00 ATOM 597 OE1 GLN 74 12.381 -8.606 11.355 1.00 0.00 ATOM 598 NE2 GLN 74 10.557 -8.470 10.049 1.00 0.00 ATOM 599 O GLN 74 11.090 -3.556 13.696 1.00 0.00 ATOM 600 C GLN 74 11.377 -4.731 13.524 1.00 0.00 ATOM 601 N PRO 75 12.041 -5.470 14.399 1.00 0.00 ATOM 602 CA PRO 75 12.683 -4.870 15.566 1.00 0.00 ATOM 603 CB PRO 75 13.259 -6.067 16.327 1.00 0.00 ATOM 604 CG PRO 75 12.446 -7.230 15.865 1.00 0.00 ATOM 605 CD PRO 75 12.178 -6.995 14.405 1.00 0.00 ATOM 606 O PRO 75 14.284 -4.277 13.906 1.00 0.00 ATOM 607 C PRO 75 13.749 -3.925 14.989 1.00 0.00 ATOM 608 N PHE 76 14.074 -2.832 15.625 1.00 0.00 ATOM 609 CA PHE 76 15.090 -1.890 15.146 1.00 0.00 ATOM 610 CB PHE 76 14.405 -0.941 14.235 1.00 0.00 ATOM 611 CG PHE 76 15.249 0.182 13.689 1.00 0.00 ATOM 612 CD1 PHE 76 15.087 1.490 14.118 1.00 0.00 ATOM 613 CD2 PHE 76 16.222 0.008 12.713 1.00 0.00 ATOM 614 CE1 PHE 76 15.743 2.581 13.636 1.00 0.00 ATOM 615 CE2 PHE 76 16.901 1.121 12.206 1.00 0.00 ATOM 616 CZ PHE 76 16.678 2.395 12.668 1.00 0.00 ATOM 617 O PHE 76 14.599 -0.928 17.249 1.00 0.00 ATOM 618 C PHE 76 15.399 -0.963 16.323 1.00 0.00 ATOM 619 N ASP 77 16.493 -0.226 16.232 1.00 0.00 ATOM 620 CA ASP 77 16.884 0.707 17.292 1.00 0.00 ATOM 621 CB ASP 77 18.402 0.694 17.483 1.00 0.00 ATOM 622 CG ASP 77 18.905 -0.609 18.074 1.00 0.00 ATOM 623 OD1 ASP 77 18.610 -0.876 19.258 1.00 0.00 ATOM 624 OD2 ASP 77 19.593 -1.362 17.355 1.00 0.00 ATOM 625 O ASP 77 17.052 2.937 16.221 1.00 0.00 ATOM 626 C ASP 77 16.426 2.117 16.882 1.00 0.00 ATOM 627 N TYR 78 15.197 2.347 17.323 1.00 0.00 ATOM 628 CA TYR 78 14.466 3.581 17.184 1.00 0.00 ATOM 629 CB TYR 78 13.139 3.506 17.943 1.00 0.00 ATOM 630 CG TYR 78 12.332 4.784 17.893 1.00 0.00 ATOM 631 CD1 TYR 78 11.599 5.118 16.763 1.00 0.00 ATOM 632 CD2 TYR 78 12.307 5.650 18.978 1.00 0.00 ATOM 633 CE1 TYR 78 10.857 6.284 16.710 1.00 0.00 ATOM 634 CE2 TYR 78 11.572 6.821 18.943 1.00 0.00 ATOM 635 CZ TYR 78 10.844 7.133 17.795 1.00 0.00 ATOM 636 OH TYR 78 10.108 8.294 17.744 1.00 0.00 ATOM 637 O TYR 78 15.356 5.856 17.157 1.00 0.00 ATOM 638 C TYR 78 15.270 4.765 17.741 1.00 0.00 ATOM 639 N ASP 79 15.855 4.531 18.924 1.00 0.00 ATOM 640 CA ASP 79 16.662 5.494 19.601 1.00 0.00 ATOM 641 CB ASP 79 17.216 4.909 20.903 1.00 0.00 ATOM 642 CG ASP 79 16.146 4.732 21.962 1.00 0.00 ATOM 643 OD1 ASP 79 16.507 4.531 23.142 1.00 0.00 ATOM 644 OD2 ASP 79 14.949 4.794 21.615 1.00 0.00 ATOM 645 O ASP 79 18.497 6.951 19.348 1.00 0.00 ATOM 646 C ASP 79 17.867 6.007 18.850 1.00 0.00 ATOM 647 N PRO 80 18.293 5.347 17.768 1.00 0.00 ATOM 648 CA PRO 80 19.438 5.786 17.011 1.00 0.00 ATOM 649 CB PRO 80 20.469 4.674 17.225 1.00 0.00 ATOM 650 CG PRO 80 20.040 4.004 18.487 1.00 0.00 ATOM 651 CD PRO 80 18.537 3.995 18.463 1.00 0.00 ATOM 652 O PRO 80 20.251 6.283 14.920 1.00 0.00 ATOM 653 C PRO 80 19.218 5.983 15.525 1.00 0.00 ATOM 654 N ASN 81 18.026 5.737 15.018 1.00 0.00 ATOM 655 CA ASN 81 17.761 5.853 13.596 1.00 0.00 ATOM 656 CB ASN 81 17.138 4.564 13.060 1.00 0.00 ATOM 657 CG ASN 81 17.434 4.342 11.591 1.00 0.00 ATOM 658 ND2 ASN 81 18.433 5.048 11.075 1.00 0.00 ATOM 659 OD1 ASN 81 16.770 3.544 10.926 1.00 0.00 ATOM 660 O ASN 81 16.333 7.787 13.975 1.00 0.00 ATOM 661 C ASN 81 16.810 6.970 13.215 1.00 0.00 ATOM 662 N GLU 82 16.601 7.078 11.908 1.00 0.00 ATOM 663 CA GLU 82 15.732 8.034 11.259 1.00 0.00 ATOM 664 CB GLU 82 15.857 8.461 10.053 1.00 0.00 ATOM 665 CG GLU 82 16.895 7.965 9.067 1.00 0.00 ATOM 666 CD GLU 82 18.215 8.735 9.148 1.00 0.00 ATOM 667 OE1 GLU 82 18.607 9.154 10.267 1.00 0.00 ATOM 668 OE2 GLU 82 18.859 8.920 8.082 1.00 0.00 ATOM 669 O GLU 82 14.302 6.195 10.957 1.00 0.00 ATOM 670 C GLU 82 14.348 7.398 11.256 1.00 0.00 ATOM 671 N LYS 83 13.356 8.137 11.733 1.00 0.00 ATOM 672 CA LYS 83 12.004 7.603 11.673 1.00 0.00 ATOM 673 CB LYS 83 11.864 6.837 13.225 1.00 0.00 ATOM 674 CG LYS 83 13.066 7.064 14.124 1.00 0.00 ATOM 675 CD LYS 83 12.816 8.340 14.908 1.00 0.00 ATOM 676 CE LYS 83 14.077 9.008 15.412 1.00 0.00 ATOM 677 NZ LYS 83 14.190 10.439 15.004 1.00 0.00 ATOM 678 O LYS 83 9.793 8.417 11.246 1.00 0.00 ATOM 679 C LYS 83 11.008 8.653 11.200 1.00 0.00 ATOM 680 N SER 84 11.474 9.809 10.726 1.00 0.00 ATOM 681 CA SER 84 10.440 10.766 10.282 1.00 0.00 ATOM 682 CB SER 84 10.918 12.205 10.485 1.00 0.00 ATOM 683 OG SER 84 12.052 12.484 9.685 1.00 0.00 ATOM 684 O SER 84 9.396 11.342 8.201 1.00 0.00 ATOM 685 C SER 84 10.137 10.559 8.808 1.00 0.00 ATOM 686 N LYS 85 10.645 9.500 8.138 1.00 0.00 ATOM 687 CA LYS 85 10.381 9.311 6.743 1.00 0.00 ATOM 688 CB LYS 85 11.665 9.484 5.926 1.00 0.00 ATOM 689 CG LYS 85 12.253 10.885 5.982 1.00 0.00 ATOM 690 CD LYS 85 13.512 10.988 5.141 1.00 0.00 ATOM 691 CE LYS 85 14.102 12.388 5.196 1.00 0.00 ATOM 692 NZ LYS 85 15.346 12.501 4.387 1.00 0.00 ATOM 693 O LYS 85 10.032 7.622 5.086 1.00 0.00 ATOM 694 C LYS 85 9.834 8.011 6.242 1.00 0.00 ATOM 695 N HIS 86 9.036 7.289 7.007 1.00 0.00 ATOM 696 CA HIS 86 8.498 6.052 6.479 1.00 0.00 ATOM 697 CB HIS 86 8.363 5.004 7.572 1.00 0.00 ATOM 698 CG HIS 86 9.689 4.626 8.161 1.00 0.00 ATOM 699 CD2 HIS 86 10.221 4.857 9.389 1.00 0.00 ATOM 700 ND1 HIS 86 10.689 4.048 7.419 1.00 0.00 ATOM 701 CE1 HIS 86 11.783 3.950 8.148 1.00 0.00 ATOM 702 NE2 HIS 86 11.533 4.436 9.349 1.00 0.00 ATOM 703 O HIS 86 6.318 7.019 6.625 1.00 0.00 ATOM 704 C HIS 86 7.065 6.264 6.005 1.00 0.00 ATOM 705 N LYS 87 6.757 5.576 4.910 1.00 0.00 ATOM 706 CA LYS 87 5.382 5.600 4.439 1.00 0.00 ATOM 707 CB LYS 87 5.156 6.792 3.506 1.00 0.00 ATOM 708 CG LYS 87 5.361 8.146 4.167 1.00 0.00 ATOM 709 CD LYS 87 5.106 9.280 3.190 1.00 0.00 ATOM 710 CE LYS 87 5.310 10.633 3.850 1.00 0.00 ATOM 711 NZ LYS 87 5.078 11.756 2.900 1.00 0.00 ATOM 712 O LYS 87 5.936 3.588 3.268 1.00 0.00 ATOM 713 C LYS 87 5.043 4.333 3.677 1.00 0.00 ATOM 714 N PHE 88 3.775 4.026 3.639 1.00 0.00 ATOM 715 CA PHE 88 3.309 2.865 2.874 1.00 0.00 ATOM 716 CB PHE 88 2.367 2.008 3.721 1.00 0.00 ATOM 717 CG PHE 88 1.806 0.822 2.992 1.00 0.00 ATOM 718 CD1 PHE 88 2.572 -0.315 2.796 1.00 0.00 ATOM 719 CD2 PHE 88 0.512 0.839 2.500 1.00 0.00 ATOM 720 CE1 PHE 88 2.057 -1.406 2.124 1.00 0.00 ATOM 721 CE2 PHE 88 -0.004 -0.253 1.829 1.00 0.00 ATOM 722 CZ PHE 88 0.763 -1.372 1.640 1.00 0.00 ATOM 723 O PHE 88 1.932 4.517 1.913 1.00 0.00 ATOM 724 C PHE 88 2.591 3.489 1.679 1.00 0.00 ATOM 725 N MET 89 2.813 3.004 0.476 1.00 0.00 ATOM 726 CA MET 89 2.139 3.555 -0.688 1.00 0.00 ATOM 727 CB MET 89 3.160 4.070 -1.705 1.00 0.00 ATOM 728 CG MET 89 2.543 4.693 -2.946 1.00 0.00 ATOM 729 SD MET 89 3.779 5.299 -4.110 1.00 0.00 ATOM 730 CE MET 89 4.443 6.694 -3.205 1.00 0.00 ATOM 731 O MET 89 1.735 1.398 -1.753 1.00 0.00 ATOM 732 C MET 89 1.269 2.503 -1.389 1.00 0.00 ATOM 733 N VAL 90 0.008 2.868 -1.570 1.00 0.00 ATOM 734 CA VAL 90 -0.947 2.050 -2.301 1.00 0.00 ATOM 735 CB VAL 90 -2.327 2.045 -1.616 1.00 0.00 ATOM 736 CG1 VAL 90 -3.318 1.215 -2.420 1.00 0.00 ATOM 737 CG2 VAL 90 -2.226 1.454 -0.218 1.00 0.00 ATOM 738 O VAL 90 -1.593 3.763 -3.831 1.00 0.00 ATOM 739 C VAL 90 -1.083 2.632 -3.708 1.00 0.00 ATOM 740 N GLN 91 -0.700 1.851 -4.693 1.00 0.00 ATOM 741 CA GLN 91 -0.831 2.259 -6.105 1.00 0.00 ATOM 742 CB GLN 91 0.506 2.106 -6.833 1.00 0.00 ATOM 743 CG GLN 91 1.621 2.975 -6.274 1.00 0.00 ATOM 744 CD GLN 91 2.945 2.747 -6.974 1.00 0.00 ATOM 745 OE1 GLN 91 3.047 1.914 -7.876 1.00 0.00 ATOM 746 NE2 GLN 91 3.966 3.489 -6.561 1.00 0.00 ATOM 747 O GLN 91 -1.885 0.153 -6.429 1.00 0.00 ATOM 748 C GLN 91 -1.891 1.343 -6.746 1.00 0.00 ATOM 749 N THR 92 -2.690 1.921 -7.647 1.00 0.00 ATOM 750 CA THR 92 -3.676 1.120 -8.353 1.00 0.00 ATOM 751 CB THR 92 -4.964 0.951 -7.525 1.00 0.00 ATOM 752 CG2 THR 92 -5.661 2.291 -7.346 1.00 0.00 ATOM 753 OG1 THR 92 -5.854 0.053 -8.198 1.00 0.00 ATOM 754 O THR 92 -4.110 2.873 -10.024 1.00 0.00 ATOM 755 C THR 92 -4.132 1.681 -9.695 1.00 0.00 ATOM 756 N ILE 93 -4.639 0.741 -10.525 1.00 0.00 ATOM 757 CA ILE 93 -5.191 1.119 -11.801 1.00 0.00 ATOM 758 CB ILE 93 -4.176 0.945 -12.944 1.00 0.00 ATOM 759 CG1 ILE 93 -3.666 -0.497 -13.011 1.00 0.00 ATOM 760 CG2 ILE 93 -3.029 1.925 -12.758 1.00 0.00 ATOM 761 CD1 ILE 93 -2.753 -0.773 -14.207 1.00 0.00 ATOM 762 O ILE 93 -6.483 -0.834 -11.641 1.00 0.00 ATOM 763 C ILE 93 -6.345 0.222 -12.205 1.00 0.00 ATOM 764 N PHE 94 -7.267 0.656 -13.046 1.00 0.00 ATOM 765 CA PHE 94 -8.337 -0.161 -13.572 1.00 0.00 ATOM 766 CB PHE 94 -9.252 0.671 -14.475 1.00 0.00 ATOM 767 CG PHE 94 -10.112 1.652 -13.727 1.00 0.00 ATOM 768 CD1 PHE 94 -10.262 1.558 -12.355 1.00 0.00 ATOM 769 CD2 PHE 94 -10.771 2.668 -14.398 1.00 0.00 ATOM 770 CE1 PHE 94 -11.054 2.459 -11.668 1.00 0.00 ATOM 771 CE2 PHE 94 -11.562 3.568 -13.712 1.00 0.00 ATOM 772 CZ PHE 94 -11.704 3.467 -12.352 1.00 0.00 ATOM 773 O PHE 94 -6.625 -1.094 -14.995 1.00 0.00 ATOM 774 C PHE 94 -7.649 -1.291 -14.378 1.00 0.00 ATOM 775 N ALA 95 -8.151 -2.464 -14.201 1.00 0.00 ATOM 776 CA ALA 95 -7.699 -3.716 -14.798 1.00 0.00 ATOM 777 CB ALA 95 -8.287 -4.903 -14.048 1.00 0.00 ATOM 778 O ALA 95 -9.276 -3.206 -16.512 1.00 0.00 ATOM 779 C ALA 95 -8.183 -3.696 -16.230 1.00 0.00 ATOM 780 N PRO 96 -7.285 -3.990 -17.176 1.00 0.00 ATOM 781 CA PRO 96 -7.723 -3.981 -18.601 1.00 0.00 ATOM 782 CB PRO 96 -6.535 -4.589 -19.322 1.00 0.00 ATOM 783 CG PRO 96 -5.327 -4.207 -18.544 1.00 0.00 ATOM 784 CD PRO 96 -5.750 -4.003 -17.125 1.00 0.00 ATOM 785 O PRO 96 -8.885 -6.059 -18.100 1.00 0.00 ATOM 786 C PRO 96 -8.800 -5.045 -18.824 1.00 0.00 ATOM 787 N PRO 97 -9.704 -4.796 -19.779 1.00 0.00 ATOM 788 CA PRO 97 -10.666 -5.751 -20.267 1.00 0.00 ATOM 789 CB PRO 97 -11.026 -5.234 -21.661 1.00 0.00 ATOM 790 CG PRO 97 -10.884 -3.752 -21.559 1.00 0.00 ATOM 791 CD PRO 97 -9.697 -3.510 -20.668 1.00 0.00 ATOM 792 O PRO 97 -9.171 -7.478 -21.002 1.00 0.00 ATOM 793 C PRO 97 -10.204 -7.184 -20.381 1.00 0.00 ATOM 794 N ASN 98 -10.965 -8.099 -19.790 1.00 0.00 ATOM 795 CA ASN 98 -10.642 -9.516 -19.834 1.00 0.00 ATOM 796 CB ASN 98 -10.815 -10.059 -21.254 1.00 0.00 ATOM 797 CG ASN 98 -12.256 -10.024 -21.721 1.00 0.00 ATOM 798 ND2 ASN 98 -12.528 -9.213 -22.737 1.00 0.00 ATOM 799 OD1 ASN 98 -13.112 -10.719 -21.175 1.00 0.00 ATOM 800 O ASN 98 -8.417 -10.452 -20.044 1.00 0.00 ATOM 801 C ASN 98 -9.191 -9.741 -19.398 1.00 0.00 ATOM 802 N ILE 99 -8.860 -9.125 -18.254 1.00 0.00 ATOM 803 CA ILE 99 -7.467 -9.139 -17.804 1.00 0.00 ATOM 804 CB ILE 99 -7.048 -7.763 -17.160 1.00 0.00 ATOM 805 CG1 ILE 99 -5.520 -7.658 -16.901 1.00 0.00 ATOM 806 CG2 ILE 99 -7.883 -7.547 -15.859 1.00 0.00 ATOM 807 CD1 ILE 99 -5.024 -6.283 -16.487 1.00 0.00 ATOM 808 O ILE 99 -7.815 -10.765 -16.060 1.00 0.00 ATOM 809 C ILE 99 -7.129 -10.392 -17.014 1.00 0.00 ATOM 810 N SER 100 -6.003 -11.010 -17.392 1.00 0.00 ATOM 811 CA SER 100 -5.305 -11.954 -16.530 1.00 0.00 ATOM 812 CB SER 100 -4.047 -12.483 -17.034 1.00 0.00 ATOM 813 OG SER 100 -4.352 -13.383 -18.082 1.00 0.00 ATOM 814 O SER 100 -4.882 -11.730 -14.185 1.00 0.00 ATOM 815 C SER 100 -4.790 -11.213 -15.300 1.00 0.00 ATOM 816 N ASP 101 -4.289 -9.992 -15.530 1.00 0.00 ATOM 817 CA ASP 101 -3.798 -9.183 -14.402 1.00 0.00 ATOM 818 CB ASP 101 -2.938 -7.991 -14.864 1.00 0.00 ATOM 819 CG ASP 101 -1.649 -8.361 -15.557 1.00 0.00 ATOM 820 OD1 ASP 101 -1.248 -9.522 -15.694 1.00 0.00 ATOM 821 OD2 ASP 101 -0.939 -7.450 -16.018 1.00 0.00 ATOM 822 O ASP 101 -4.747 -8.590 -12.271 1.00 0.00 ATOM 823 C ASP 101 -4.949 -8.721 -13.490 1.00 0.00 ATOM 824 N MET 102 -6.120 -8.389 -14.057 1.00 0.00 ATOM 825 CA MET 102 -7.293 -8.014 -13.288 1.00 0.00 ATOM 826 CB MET 102 -8.581 -7.972 -14.141 1.00 0.00 ATOM 827 CG MET 102 -9.734 -7.377 -13.305 1.00 0.00 ATOM 828 SD MET 102 -11.224 -7.421 -14.386 1.00 0.00 ATOM 829 CE MET 102 -10.820 -5.910 -15.425 1.00 0.00 ATOM 830 O MET 102 -7.883 -8.953 -11.157 1.00 0.00 ATOM 831 C MET 102 -7.648 -9.147 -12.347 1.00 0.00 ATOM 832 N GLU 103 -7.651 -10.361 -12.862 1.00 0.00 ATOM 833 CA GLU 103 -7.950 -11.528 -12.042 1.00 0.00 ATOM 834 CB GLU 103 -8.134 -12.768 -12.920 1.00 0.00 ATOM 835 CG GLU 103 -9.375 -12.728 -13.796 1.00 0.00 ATOM 836 CD GLU 103 -9.497 -13.947 -14.690 1.00 0.00 ATOM 837 OE1 GLU 103 -8.583 -14.796 -14.663 1.00 0.00 ATOM 838 OE2 GLU 103 -10.506 -14.051 -15.419 1.00 0.00 ATOM 839 O GLU 103 -7.086 -12.158 -9.921 1.00 0.00 ATOM 840 C GLU 103 -6.822 -11.806 -11.060 1.00 0.00 ATOM 841 N ALA 104 -4.873 -11.904 -11.970 1.00 0.00 ATOM 842 CA ALA 104 -3.722 -11.763 -11.111 1.00 0.00 ATOM 843 CB ALA 104 -2.880 -13.064 -11.042 1.00 0.00 ATOM 844 O ALA 104 -2.328 -10.476 -12.734 1.00 0.00 ATOM 845 C ALA 104 -2.840 -10.609 -11.618 1.00 0.00 ATOM 846 N VAL 105 -2.693 -9.634 -10.738 1.00 0.00 ATOM 847 CA VAL 105 -2.085 -8.365 -10.992 1.00 0.00 ATOM 848 CB VAL 105 -2.299 -7.351 -9.775 1.00 0.00 ATOM 849 CG1 VAL 105 -1.508 -7.882 -8.581 1.00 0.00 ATOM 850 CG2 VAL 105 -1.826 -5.947 -10.142 1.00 0.00 ATOM 851 O VAL 105 0.197 -8.876 -10.773 1.00 0.00 ATOM 852 C VAL 105 -0.653 -8.345 -11.475 1.00 0.00 ATOM 853 N TRP 106 -0.385 -7.642 -12.578 1.00 0.00 ATOM 854 CA TRP 106 1.024 -7.596 -13.035 1.00 0.00 ATOM 855 CB TRP 106 1.642 -8.343 -13.878 1.00 0.00 ATOM 856 CG TRP 106 2.278 -9.545 -13.265 1.00 0.00 ATOM 857 CD1 TRP 106 2.070 -10.829 -13.694 1.00 0.00 ATOM 858 CD2 TRP 106 3.199 -9.643 -12.171 1.00 0.00 ATOM 859 CE2 TRP 106 3.501 -11.009 -11.986 1.00 0.00 ATOM 860 CE3 TRP 106 3.800 -8.729 -11.314 1.00 0.00 ATOM 861 NE1 TRP 106 2.799 -11.710 -12.930 1.00 0.00 ATOM 862 CZ2 TRP 106 4.371 -11.474 -10.995 1.00 0.00 ATOM 863 CZ3 TRP 106 4.668 -9.176 -10.326 1.00 0.00 ATOM 864 CH2 TRP 106 4.948 -10.544 -10.172 1.00 0.00 ATOM 865 O TRP 106 0.725 -5.324 -13.777 1.00 0.00 ATOM 866 C TRP 106 1.386 -6.131 -13.129 1.00 0.00 ATOM 867 N LYS 107 2.484 -5.784 -12.467 1.00 0.00 ATOM 868 CA LYS 107 2.977 -4.404 -12.483 1.00 0.00 ATOM 869 CB LYS 107 4.528 -4.663 -11.712 1.00 0.00 ATOM 870 CG LYS 107 5.516 -4.632 -12.872 1.00 0.00 ATOM 871 CD LYS 107 6.943 -4.769 -12.377 1.00 0.00 ATOM 872 CE LYS 107 7.930 -4.661 -13.526 1.00 0.00 ATOM 873 NZ LYS 107 9.340 -4.751 -13.044 1.00 0.00 ATOM 874 O LYS 107 3.207 -2.705 -14.191 1.00 0.00 ATOM 875 C LYS 107 3.214 -3.913 -13.898 1.00 0.00 ATOM 876 N GLU 108 3.387 -4.811 -14.850 1.00 0.00 ATOM 877 CA GLU 108 3.561 -4.573 -16.247 1.00 0.00 ATOM 878 CB GLU 108 3.815 -5.984 -16.878 1.00 0.00 ATOM 879 CG GLU 108 4.111 -5.964 -18.366 1.00 0.00 ATOM 880 CD GLU 108 5.371 -5.208 -18.756 1.00 0.00 ATOM 881 OE1 GLU 108 6.306 -5.090 -17.928 1.00 0.00 ATOM 882 OE2 GLU 108 5.383 -4.734 -19.922 1.00 0.00 ATOM 883 O GLU 108 2.570 -2.989 -17.753 1.00 0.00 ATOM 884 C GLU 108 2.384 -3.875 -16.889 1.00 0.00 ATOM 885 N ALA 109 1.170 -4.156 -16.453 1.00 0.00 ATOM 886 CA ALA 109 -0.015 -3.496 -17.011 1.00 0.00 ATOM 887 CB ALA 109 -1.276 -3.997 -16.323 1.00 0.00 ATOM 888 O ALA 109 -0.159 -1.222 -17.743 1.00 0.00 ATOM 889 C ALA 109 0.082 -1.985 -16.812 1.00 0.00 ATOM 890 N LYS 110 0.452 -1.555 -15.602 1.00 0.00 ATOM 891 CA LYS 110 0.614 -0.129 -15.349 1.00 0.00 ATOM 892 CB LYS 110 1.682 -0.060 -14.044 1.00 0.00 ATOM 893 CG LYS 110 1.829 1.199 -13.221 1.00 0.00 ATOM 894 CD LYS 110 2.934 1.147 -12.153 1.00 0.00 ATOM 895 CE LYS 110 3.119 2.514 -11.512 1.00 0.00 ATOM 896 NZ LYS 110 1.961 3.015 -10.750 1.00 0.00 ATOM 897 O LYS 110 1.409 1.533 -16.925 1.00 0.00 ATOM 898 C LYS 110 1.665 0.502 -16.273 1.00 0.00 ATOM 899 N PRO 111 2.720 -0.264 -16.517 1.00 0.00 ATOM 900 CA PRO 111 3.756 0.221 -17.418 1.00 0.00 ATOM 901 CB PRO 111 4.812 -0.927 -17.320 1.00 0.00 ATOM 902 CG PRO 111 4.664 -1.443 -15.934 1.00 0.00 ATOM 903 CD PRO 111 3.132 -1.409 -15.713 1.00 0.00 ATOM 904 O PRO 111 3.838 1.496 -19.373 1.00 0.00 ATOM 905 C PRO 111 3.210 0.619 -18.786 1.00 0.00 ATOM 906 N ASP 112 2.173 -0.006 -19.282 1.00 0.00 ATOM 907 CA ASP 112 1.579 0.389 -20.532 1.00 0.00 ATOM 908 CB ASP 112 0.657 -0.712 -21.058 1.00 0.00 ATOM 909 CG ASP 112 1.417 -1.941 -21.517 1.00 0.00 ATOM 910 OD1 ASP 112 0.927 -2.635 -22.431 1.00 0.00 ATOM 911 OD2 ASP 112 2.502 -2.208 -20.963 1.00 0.00 ATOM 912 O ASP 112 0.571 2.255 -19.325 1.00 0.00 ATOM 913 C ASP 112 0.747 1.661 -20.402 1.00 0.00 ATOM 914 N GLU 113 0.304 2.110 -21.565 1.00 0.00 ATOM 915 CA GLU 113 -0.490 3.317 -21.657 1.00 0.00 ATOM 916 CB GLU 113 -0.922 3.870 -22.731 1.00 0.00 ATOM 917 CG GLU 113 -0.067 5.125 -22.877 1.00 0.00 ATOM 918 CD GLU 113 1.147 4.879 -23.773 1.00 0.00 ATOM 919 OE1 GLU 113 1.472 3.709 -24.041 1.00 0.00 ATOM 920 OE2 GLU 113 1.742 5.862 -24.245 1.00 0.00 ATOM 921 O GLU 113 -2.218 2.259 -20.417 1.00 0.00 ATOM 922 C GLU 113 -1.549 3.287 -20.589 1.00 0.00 ATOM 923 N LEU 114 -1.688 4.342 -19.797 1.00 0.00 ATOM 924 CA LEU 114 -2.737 4.343 -18.800 1.00 0.00 ATOM 925 CB LEU 114 -2.936 2.939 -18.228 1.00 0.00 ATOM 926 CG LEU 114 -3.422 1.870 -19.208 1.00 0.00 ATOM 927 CD1 LEU 114 -3.454 0.502 -18.541 1.00 0.00 ATOM 928 CD2 LEU 114 -4.825 2.190 -19.701 1.00 0.00 ATOM 929 O LEU 114 -1.449 6.021 -17.679 1.00 0.00 ATOM 930 C LEU 114 -2.412 5.279 -17.638 1.00 0.00 ATOM 931 N MET 115 -3.309 5.180 -16.643 1.00 0.00 ATOM 932 CA MET 115 -3.318 5.964 -15.454 1.00 0.00 ATOM 933 CB MET 115 -4.678 6.669 -15.221 1.00 0.00 ATOM 934 CG MET 115 -5.075 7.714 -16.223 1.00 0.00 ATOM 935 SD MET 115 -4.026 9.188 -16.197 1.00 0.00 ATOM 936 CE MET 115 -4.062 9.645 -14.488 1.00 0.00 ATOM 937 O MET 115 -3.644 4.078 -13.997 1.00 0.00 ATOM 938 C MET 115 -3.092 5.153 -14.193 1.00 0.00 ATOM 939 N ASP 116 -2.146 5.611 -13.380 1.00 0.00 ATOM 940 CA ASP 116 -1.876 4.964 -12.105 1.00 0.00 ATOM 941 CB ASP 116 -0.502 4.351 -12.000 1.00 0.00 ATOM 942 CG ASP 116 -0.172 3.316 -13.033 1.00 0.00 ATOM 943 OD1 ASP 116 -0.955 2.426 -13.446 1.00 0.00 ATOM 944 OD2 ASP 116 0.998 3.334 -13.488 1.00 0.00 ATOM 945 O ASP 116 -1.946 7.124 -11.046 1.00 0.00 ATOM 946 C ASP 116 -2.245 5.938 -10.984 1.00 0.00 ATOM 947 N SER 117 -3.006 5.473 -10.010 1.00 0.00 ATOM 948 CA SER 117 -3.368 6.377 -8.917 1.00 0.00 ATOM 949 CB SER 117 -4.743 6.004 -8.428 1.00 0.00 ATOM 950 OG SER 117 -5.254 7.084 -7.670 1.00 0.00 ATOM 951 O SER 117 -2.272 4.771 -7.479 1.00 0.00 ATOM 952 C SER 117 -2.628 5.936 -7.657 1.00 0.00 ATOM 953 N LYS 118 -2.350 6.891 -6.759 1.00 0.00 ATOM 954 CA LYS 118 -1.653 6.514 -5.547 1.00 0.00 ATOM 955 CB LYS 118 -0.163 6.844 -5.663 1.00 0.00 ATOM 956 CG LYS 118 0.136 8.326 -5.814 1.00 0.00 ATOM 957 CD LYS 118 1.630 8.578 -5.941 1.00 0.00 ATOM 958 CE LYS 118 1.929 10.061 -6.088 1.00 0.00 ATOM 959 NZ LYS 118 3.388 10.322 -6.224 1.00 0.00 ATOM 960 O LYS 118 -2.672 8.329 -4.322 1.00 0.00 ATOM 961 C LYS 118 -2.164 7.227 -4.299 1.00 0.00 ATOM 962 N PRO 119 -2.094 6.492 -3.186 1.00 0.00 ATOM 963 CA PRO 119 -2.437 7.004 -1.886 1.00 0.00 ATOM 964 CB PRO 119 -3.734 6.275 -1.529 1.00 0.00 ATOM 965 CG PRO 119 -3.615 4.949 -2.205 1.00 0.00 ATOM 966 CD PRO 119 -3.019 5.222 -3.558 1.00 0.00 ATOM 967 O PRO 119 -0.821 5.566 -0.805 1.00 0.00 ATOM 968 C PRO 119 -1.314 6.691 -0.899 1.00 0.00 ATOM 969 N ARG 120 -0.773 7.755 -0.302 1.00 0.00 ATOM 970 CA ARG 120 0.255 7.538 0.723 1.00 0.00 ATOM 971 CB ARG 120 1.249 8.701 0.738 1.00 0.00 ATOM 972 CG ARG 120 2.090 8.815 -0.523 1.00 0.00 ATOM 973 CD ARG 120 3.038 10.000 -0.449 1.00 0.00 ATOM 974 NE ARG 120 3.843 10.135 -1.660 1.00 0.00 ATOM 975 CZ ARG 120 4.682 11.139 -1.893 1.00 0.00 ATOM 976 NH1 ARG 120 5.373 11.177 -3.024 1.00 0.00 ATOM 977 NH2 ARG 120 4.830 12.102 -0.992 1.00 0.00 ATOM 978 O ARG 120 -1.412 8.046 2.401 1.00 0.00 ATOM 979 C ARG 120 -0.388 7.431 2.108 1.00 0.00 ATOM 980 N CYS 121 0.231 6.579 2.912 1.00 0.00 ATOM 981 CA CYS 121 -0.123 6.367 4.292 1.00 0.00 ATOM 982 CB CYS 121 -0.583 4.923 4.510 1.00 0.00 ATOM 983 SG CYS 121 -1.065 4.542 6.210 1.00 0.00 ATOM 984 O CYS 121 2.148 5.979 4.942 1.00 0.00 ATOM 985 C CYS 121 1.106 6.643 5.172 1.00 0.00 ATOM 986 N VAL 122 0.952 7.541 6.129 1.00 0.00 ATOM 987 CA VAL 122 2.039 7.855 7.054 1.00 0.00 ATOM 988 CB VAL 122 1.612 8.910 8.090 1.00 0.00 ATOM 989 CG1 VAL 122 2.718 9.132 9.110 1.00 0.00 ATOM 990 CG2 VAL 122 1.317 10.238 7.406 1.00 0.00 ATOM 991 O VAL 122 1.652 5.853 8.318 1.00 0.00 ATOM 992 C VAL 122 2.479 6.610 7.815 1.00 0.00 ATOM 993 N PHE 123 3.775 6.386 7.888 1.00 0.00 ATOM 994 CA PHE 123 4.331 5.228 8.586 1.00 0.00 ATOM 995 CB PHE 123 5.057 4.371 7.842 1.00 0.00 ATOM 996 CG PHE 123 4.103 3.222 7.748 1.00 0.00 ATOM 997 CD1 PHE 123 3.511 2.702 8.887 1.00 0.00 ATOM 998 CD2 PHE 123 3.773 2.678 6.522 1.00 0.00 ATOM 999 CE1 PHE 123 2.614 1.665 8.809 1.00 0.00 ATOM 1000 CE2 PHE 123 2.871 1.636 6.436 1.00 0.00 ATOM 1001 CZ PHE 123 2.294 1.129 7.580 1.00 0.00 ATOM 1002 O PHE 123 6.291 6.415 9.293 1.00 0.00 ATOM 1003 C PHE 123 5.257 5.842 9.633 1.00 0.00 ATOM 1004 N GLU 124 4.891 5.719 10.891 1.00 0.00 ATOM 1005 CA GLU 124 5.678 6.329 11.973 1.00 0.00 ATOM 1006 CB GLU 124 4.833 7.346 12.743 1.00 0.00 ATOM 1007 CG GLU 124 5.580 8.052 13.862 1.00 0.00 ATOM 1008 CD GLU 124 4.727 9.087 14.570 1.00 0.00 ATOM 1009 OE1 GLU 124 3.550 9.251 14.183 1.00 0.00 ATOM 1010 OE2 GLU 124 5.235 9.736 15.508 1.00 0.00 ATOM 1011 O GLU 124 5.364 4.277 13.206 1.00 0.00 ATOM 1012 C GLU 124 6.105 5.194 12.884 1.00 0.00 ATOM 1013 N MET 125 7.375 5.225 13.219 1.00 0.00 ATOM 1014 CA MET 125 7.964 4.160 14.054 1.00 0.00 ATOM 1015 CB MET 125 9.530 4.312 14.079 1.00 0.00 ATOM 1016 CG MET 125 10.213 3.970 12.761 1.00 0.00 ATOM 1017 SD MET 125 12.017 3.744 12.962 1.00 0.00 ATOM 1018 CE MET 125 12.483 5.374 13.581 1.00 0.00 ATOM 1019 O MET 125 7.141 3.179 16.097 1.00 0.00 ATOM 1020 C MET 125 7.479 4.206 15.491 1.00 0.00 TER END