PFRMAT TS TARGET T0251 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is try1-opt2.repack-nonPC, the same undertaker-created backbone METHOD as in model 2, but with sidechains repacked by Rosetta. METHOD It had the lowest Rosetta energy of any of the repacked models. REMARK 6 REMARK 6 T0251 model 3 Thu Aug 12 12:03:28 2004 MODEL 3 PARENT 1egr 1fo5_A 1ego 1kte 1grx REMARK 7 REMARK 7 ALLPARENTS 1egr 1fo5_A 1ego 1kte 1grx 1qfn_A 1jhb 1hyu_A REMARK 7 ALLPARENTS 1t1v_A 1j0f_A 1thx 1r26_A 1ilo_A 1st9_A 1fb6_A REMARK 7 ALLPARENTS 1h75_A ATOM 1 N MET 1 -11.843 -2.506 5.262 1.00 0.00 ATOM 2 CA MET 1 -10.831 -1.990 4.352 1.00 0.00 ATOM 3 CB MET 1 -11.358 -0.757 3.621 1.00 0.00 ATOM 4 CG MET 1 -10.419 -0.205 2.558 1.00 0.00 ATOM 5 SD MET 1 -11.112 1.214 1.686 1.00 0.00 ATOM 6 CE MET 1 -12.317 0.410 0.633 1.00 0.00 ATOM 7 O MET 1 -9.613 -1.226 6.270 1.00 0.00 ATOM 8 C MET 1 -9.546 -1.658 5.121 1.00 0.00 ATOM 9 N VAL 2 -8.380 -1.798 4.472 1.00 0.00 ATOM 10 CA VAL 2 -7.116 -1.420 5.070 1.00 0.00 ATOM 11 CB VAL 2 -6.145 -2.614 5.142 1.00 0.00 ATOM 12 CG1 VAL 2 -5.898 -3.183 3.752 1.00 0.00 ATOM 13 CG2 VAL 2 -4.833 -2.195 5.786 1.00 0.00 ATOM 14 O VAL 2 -6.395 -0.395 3.027 1.00 0.00 ATOM 15 C VAL 2 -6.512 -0.288 4.251 1.00 0.00 ATOM 16 N VAL 3 -6.182 0.796 4.924 1.00 0.00 ATOM 17 CA VAL 3 -5.599 1.959 4.263 1.00 0.00 ATOM 18 CB VAL 3 -6.473 3.213 4.449 1.00 0.00 ATOM 19 CG1 VAL 3 -5.899 4.384 3.665 1.00 0.00 ATOM 20 CG2 VAL 3 -7.904 2.935 4.016 1.00 0.00 ATOM 21 O VAL 3 -4.072 2.549 5.992 1.00 0.00 ATOM 22 C VAL 3 -4.211 2.193 4.824 1.00 0.00 ATOM 23 N TYR 4 -3.137 1.961 3.967 1.00 0.00 ATOM 24 CA TYR 4 -1.753 2.258 4.384 1.00 0.00 ATOM 25 CB TYR 4 -0.754 1.586 3.440 1.00 0.00 ATOM 26 CG TYR 4 -0.510 0.123 3.745 1.00 0.00 ATOM 27 CD1 TYR 4 -1.152 -0.872 3.023 1.00 0.00 ATOM 28 CD2 TYR 4 0.364 -0.255 4.753 1.00 0.00 ATOM 29 CE1 TYR 4 -0.933 -2.208 3.299 1.00 0.00 ATOM 30 CE2 TYR 4 0.591 -1.588 5.036 1.00 0.00 ATOM 31 CZ TYR 4 -0.059 -2.562 4.307 1.00 0.00 ATOM 32 OH TYR 4 0.164 -3.892 4.584 1.00 0.00 ATOM 33 O TYR 4 -1.923 4.474 3.475 1.00 0.00 ATOM 34 C TYR 4 -1.563 3.771 4.409 1.00 0.00 ATOM 35 N GLY 5 -0.943 4.200 5.505 1.00 0.00 ATOM 36 CA GLY 5 -0.805 5.642 5.779 1.00 0.00 ATOM 37 O GLY 5 1.246 5.611 4.552 1.00 0.00 ATOM 38 C GLY 5 0.218 6.245 4.841 1.00 0.00 ATOM 39 N ALA 6 -0.278 7.591 4.697 1.00 0.00 ATOM 40 CA ALA 6 0.569 8.324 3.777 1.00 0.00 ATOM 41 CB ALA 6 0.181 8.016 2.340 1.00 0.00 ATOM 42 O ALA 6 -0.574 10.194 4.810 1.00 0.00 ATOM 43 C ALA 6 0.360 9.817 4.085 1.00 0.00 ATOM 44 N ASP 7 1.257 10.744 3.489 1.00 0.00 ATOM 45 CA ASP 7 1.036 12.180 3.538 1.00 0.00 ATOM 46 CB ASP 7 2.016 12.842 4.510 1.00 0.00 ATOM 47 CG ASP 7 1.701 14.297 4.829 1.00 0.00 ATOM 48 OD1 ASP 7 0.681 14.774 4.389 1.00 0.00 ATOM 49 OD2 ASP 7 2.395 14.871 5.633 1.00 0.00 ATOM 50 O ASP 7 2.105 12.525 1.385 1.00 0.00 ATOM 51 C ASP 7 1.170 12.795 2.152 1.00 0.00 ATOM 52 N VAL 8 0.307 13.766 1.911 1.00 0.00 ATOM 53 CA VAL 8 0.246 14.417 0.631 1.00 0.00 ATOM 54 CB VAL 8 -1.203 14.759 0.241 1.00 0.00 ATOM 55 CG1 VAL 8 -2.016 13.489 0.043 1.00 0.00 ATOM 56 CG2 VAL 8 -1.867 15.589 1.328 1.00 0.00 ATOM 57 O VAL 8 1.290 16.321 -0.410 1.00 0.00 ATOM 58 C VAL 8 1.043 15.721 0.641 1.00 0.00 ATOM 59 N ILE 9 1.386 16.294 1.863 1.00 0.00 ATOM 60 CA ILE 9 2.158 17.502 1.984 1.00 0.00 ATOM 61 CB ILE 9 1.343 18.630 2.643 1.00 0.00 ATOM 62 CG1 ILE 9 0.161 19.022 1.753 1.00 0.00 ATOM 63 CG2 ILE 9 2.211 19.860 2.860 1.00 0.00 ATOM 64 CD1 ILE 9 -0.818 19.964 2.420 1.00 0.00 ATOM 65 O ILE 9 3.250 17.014 4.039 1.00 0.00 ATOM 66 C ILE 9 3.378 17.210 2.839 1.00 0.00 ATOM 67 N CYS 10 4.556 17.169 2.236 1.00 0.00 ATOM 68 CA CYS 10 5.801 16.975 2.970 1.00 0.00 ATOM 69 CB CYS 10 6.006 15.494 3.293 1.00 0.00 ATOM 70 SG CYS 10 6.088 14.417 1.842 1.00 0.00 ATOM 71 O CYS 10 6.951 17.397 0.906 1.00 0.00 ATOM 72 C CYS 10 6.961 17.456 2.142 1.00 0.00 ATOM 73 N ALA 11 7.997 17.919 2.837 1.00 0.00 ATOM 74 CA ALA 11 9.226 18.268 2.190 1.00 0.00 ATOM 75 CB ALA 11 9.869 19.460 2.882 1.00 0.00 ATOM 76 O ALA 11 11.363 17.351 1.786 1.00 0.00 ATOM 77 C ALA 11 10.236 17.152 2.201 1.00 0.00 ATOM 78 N SER 12 9.854 15.966 2.648 1.00 0.00 ATOM 79 CA SER 12 10.811 14.868 2.757 1.00 0.00 ATOM 80 CB SER 12 10.520 14.044 3.996 1.00 0.00 ATOM 81 OG SER 12 11.350 12.918 4.086 1.00 0.00 ATOM 82 O SER 12 9.668 13.472 1.166 1.00 0.00 ATOM 83 C SER 12 10.723 14.031 1.476 1.00 0.00 ATOM 84 N CYS 13 11.931 13.917 0.758 1.00 0.00 ATOM 85 CA CYS 13 12.007 13.063 -0.402 1.00 0.00 ATOM 86 CB CYS 13 13.317 13.187 -1.137 1.00 0.00 ATOM 87 SG CYS 13 13.586 14.799 -1.872 1.00 0.00 ATOM 88 O CYS 13 10.999 10.916 -0.658 1.00 0.00 ATOM 89 C CYS 13 11.773 11.612 -0.022 1.00 0.00 ATOM 90 N VAL 14 12.354 11.158 1.069 1.00 0.00 ATOM 91 CA VAL 14 12.224 9.749 1.465 1.00 0.00 ATOM 92 CB VAL 14 13.178 9.397 2.622 1.00 0.00 ATOM 93 CG1 VAL 14 12.893 7.995 3.139 1.00 0.00 ATOM 94 CG2 VAL 14 14.626 9.512 2.171 1.00 0.00 ATOM 95 O VAL 14 10.253 8.437 1.516 1.00 0.00 ATOM 96 C VAL 14 10.781 9.464 1.873 1.00 0.00 ATOM 97 N ASN 15 10.166 10.346 2.656 1.00 0.00 ATOM 98 CA ASN 15 8.784 10.108 3.091 1.00 0.00 ATOM 99 CB ASN 15 8.343 11.131 4.123 1.00 0.00 ATOM 100 CG ASN 15 8.970 10.934 5.475 1.00 0.00 ATOM 101 ND2 ASN 15 8.891 11.957 6.287 1.00 0.00 ATOM 102 OD1 ASN 15 9.453 9.845 5.806 1.00 0.00 ATOM 103 O ASN 15 6.791 9.284 1.969 1.00 0.00 ATOM 104 C ASN 15 7.764 10.097 1.933 1.00 0.00 ATOM 105 N ALA 16 7.880 11.037 0.815 1.00 0.00 ATOM 106 CA ALA 16 6.871 11.153 -0.254 1.00 0.00 ATOM 107 CB ALA 16 6.952 12.364 -1.170 1.00 0.00 ATOM 108 O ALA 16 5.938 9.246 -1.300 1.00 0.00 ATOM 109 C ALA 16 6.939 9.897 -1.115 1.00 0.00 ATOM 110 N PRO 17 8.121 9.579 -1.571 1.00 0.00 ATOM 111 CA PRO 17 8.349 8.465 -2.456 1.00 0.00 ATOM 112 CB PRO 17 9.823 8.599 -2.846 1.00 0.00 ATOM 113 CG PRO 17 10.138 10.041 -2.631 1.00 0.00 ATOM 114 CD PRO 17 9.318 10.475 -1.447 1.00 0.00 ATOM 115 O PRO 17 7.359 6.328 -2.235 1.00 0.00 ATOM 116 C PRO 17 8.069 7.194 -1.723 1.00 0.00 ATOM 117 N THR 18 8.379 6.858 -0.371 1.00 0.00 ATOM 118 CA THR 18 7.964 5.680 0.384 1.00 0.00 ATOM 119 CB THR 18 8.572 5.672 1.799 1.00 0.00 ATOM 120 CG2 THR 18 10.062 5.373 1.738 1.00 0.00 ATOM 121 OG1 THR 18 8.370 6.951 2.415 1.00 0.00 ATOM 122 O THR 18 5.893 4.465 0.365 1.00 0.00 ATOM 123 C THR 18 6.448 5.552 0.525 1.00 0.00 ATOM 124 N SER 19 5.807 6.644 0.821 1.00 0.00 ATOM 125 CA SER 19 4.352 6.646 0.955 1.00 0.00 ATOM 126 CB SER 19 3.887 7.947 1.579 1.00 0.00 ATOM 127 OG SER 19 4.332 8.086 2.901 1.00 0.00 ATOM 128 O SER 19 2.671 5.750 -0.545 1.00 0.00 ATOM 129 C SER 19 3.716 6.429 -0.418 1.00 0.00 ATOM 130 N LYS 20 4.317 6.982 -1.474 1.00 0.00 ATOM 131 CA LYS 20 3.792 6.746 -2.837 1.00 0.00 ATOM 132 CB LYS 20 4.605 7.533 -3.867 1.00 0.00 ATOM 133 CG LYS 20 4.108 7.381 -5.296 1.00 0.00 ATOM 134 CD LYS 20 4.914 8.244 -6.254 1.00 0.00 ATOM 135 CE LYS 20 4.450 8.055 -7.690 1.00 0.00 ATOM 136 NZ LYS 20 5.247 8.874 -8.643 1.00 0.00 ATOM 137 O LYS 20 2.917 4.658 -3.692 1.00 0.00 ATOM 138 C LYS 20 3.880 5.244 -3.175 1.00 0.00 ATOM 139 N ASP 21 5.032 4.645 -2.886 1.00 0.00 ATOM 140 CA ASP 21 5.238 3.245 -3.222 1.00 0.00 ATOM 141 CB ASP 21 6.695 2.843 -2.977 1.00 0.00 ATOM 142 CG ASP 21 7.681 3.402 -3.994 1.00 0.00 ATOM 143 OD1 ASP 21 7.244 3.894 -5.007 1.00 0.00 ATOM 144 OD2 ASP 21 8.845 3.475 -3.682 1.00 0.00 ATOM 145 O ASP 21 3.759 1.391 -2.909 1.00 0.00 ATOM 146 C ASP 21 4.290 2.379 -2.405 1.00 0.00 ATOM 147 N ILE 22 4.086 2.748 -1.144 1.00 0.00 ATOM 148 CA ILE 22 3.186 2.008 -0.274 1.00 0.00 ATOM 149 CB ILE 22 3.244 2.530 1.174 1.00 0.00 ATOM 150 CG1 ILE 22 4.590 2.179 1.814 1.00 0.00 ATOM 151 CG2 ILE 22 2.097 1.957 1.992 1.00 0.00 ATOM 152 CD1 ILE 22 4.759 0.706 2.112 1.00 0.00 ATOM 153 O ILE 22 1.036 1.114 -0.837 1.00 0.00 ATOM 154 C ILE 22 1.768 2.105 -0.800 1.00 0.00 ATOM 155 N TYR 23 1.394 3.305 -1.195 1.00 0.00 ATOM 156 CA TYR 23 0.054 3.504 -1.732 1.00 0.00 ATOM 157 CB TYR 23 -0.202 4.989 -1.997 1.00 0.00 ATOM 158 CG TYR 23 -1.634 5.309 -2.365 1.00 0.00 ATOM 159 CD1 TYR 23 -2.676 4.490 -1.953 1.00 0.00 ATOM 160 CD2 TYR 23 -1.939 6.428 -3.124 1.00 0.00 ATOM 161 CE1 TYR 23 -3.984 4.777 -2.288 1.00 0.00 ATOM 162 CE2 TYR 23 -3.244 6.725 -3.465 1.00 0.00 ATOM 163 CZ TYR 23 -4.265 5.897 -3.044 1.00 0.00 ATOM 164 OH TYR 23 -5.568 6.189 -3.380 1.00 0.00 ATOM 165 O TYR 23 -1.194 2.052 -3.179 1.00 0.00 ATOM 166 C TYR 23 -0.167 2.706 -3.015 1.00 0.00 ATOM 167 N ASP 24 0.800 2.751 -3.951 1.00 0.00 ATOM 168 CA ASP 24 0.680 2.015 -5.203 1.00 0.00 ATOM 169 CB ASP 24 1.927 2.256 -6.056 1.00 0.00 ATOM 170 CG ASP 24 1.965 3.651 -6.649 1.00 0.00 ATOM 171 OD1 ASP 24 0.930 4.346 -6.599 1.00 0.00 ATOM 172 OD2 ASP 24 3.032 4.047 -7.164 1.00 0.00 ATOM 173 O ASP 24 -0.164 -0.150 -5.700 1.00 0.00 ATOM 174 C ASP 24 0.553 0.514 -4.975 1.00 0.00 ATOM 175 N TRP 25 1.280 0.006 -3.987 1.00 0.00 ATOM 176 CA TRP 25 1.215 -1.383 -3.616 1.00 0.00 ATOM 177 CB TRP 25 2.192 -1.644 -2.487 1.00 0.00 ATOM 178 CG TRP 25 2.182 -3.053 -1.957 1.00 0.00 ATOM 179 CD1 TRP 25 1.967 -4.217 -2.653 1.00 0.00 ATOM 180 CD2 TRP 25 2.378 -3.437 -0.566 1.00 0.00 ATOM 181 CE2 TRP 25 2.327 -4.859 -0.494 1.00 0.00 ATOM 182 CE3 TRP 25 2.643 -2.718 0.596 1.00 0.00 ATOM 183 NE1 TRP 25 2.103 -5.308 -1.781 1.00 0.00 ATOM 184 CZ2 TRP 25 2.513 -5.542 0.705 1.00 0.00 ATOM 185 CZ3 TRP 25 2.806 -3.389 1.799 1.00 0.00 ATOM 186 CH2 TRP 25 2.736 -4.794 1.857 1.00 0.00 ATOM 187 O TRP 25 -0.811 -2.616 -3.509 1.00 0.00 ATOM 188 C TRP 25 -0.201 -1.657 -3.108 1.00 0.00 ATOM 189 N LEU 26 -0.750 -0.820 -2.215 1.00 0.00 ATOM 190 CA LEU 26 -2.106 -1.017 -1.704 1.00 0.00 ATOM 191 CB LEU 26 -2.428 0.035 -0.636 1.00 0.00 ATOM 192 CG LEU 26 -3.883 0.047 -0.149 1.00 0.00 ATOM 193 CD1 LEU 26 -4.176 -1.217 0.649 1.00 0.00 ATOM 194 CD2 LEU 26 -4.126 1.287 0.698 1.00 0.00 ATOM 195 O LEU 26 -4.135 -1.707 -2.791 1.00 0.00 ATOM 196 C LEU 26 -3.156 -0.967 -2.814 1.00 0.00 ATOM 197 N GLN 27 -2.946 -0.083 -3.829 1.00 0.00 ATOM 198 CA GLN 27 -3.875 0.042 -4.944 1.00 0.00 ATOM 199 CB GLN 27 -3.486 1.225 -5.835 1.00 0.00 ATOM 200 CG GLN 27 -3.732 2.586 -5.205 1.00 0.00 ATOM 201 CD GLN 27 -3.327 3.727 -6.118 1.00 0.00 ATOM 202 OE1 GLN 27 -2.140 4.035 -6.263 1.00 0.00 ATOM 203 NE2 GLN 27 -4.312 4.367 -6.737 1.00 0.00 ATOM 204 O GLN 27 -4.970 -1.796 -6.033 1.00 0.00 ATOM 205 C GLN 27 -3.901 -1.249 -5.764 1.00 0.00 ATOM 206 N PRO 28 -2.711 -1.698 -6.140 1.00 0.00 ATOM 207 CA PRO 28 -2.585 -2.914 -6.924 1.00 0.00 ATOM 208 CB PRO 28 -1.074 -3.125 -7.037 1.00 0.00 ATOM 209 CG PRO 28 -0.496 -1.753 -6.941 1.00 0.00 ATOM 210 CD PRO 28 -1.330 -1.020 -5.929 1.00 0.00 ATOM 211 O PRO 28 -3.996 -4.851 -6.787 1.00 0.00 ATOM 212 C PRO 28 -3.274 -4.057 -6.189 1.00 0.00 ATOM 213 N LEU 29 -3.050 -4.112 -4.890 1.00 0.00 ATOM 214 CA LEU 29 -3.657 -5.165 -4.084 1.00 0.00 ATOM 215 CB LEU 29 -3.212 -5.045 -2.625 1.00 0.00 ATOM 216 CG LEU 29 -1.745 -5.370 -2.334 1.00 0.00 ATOM 217 CD1 LEU 29 -1.397 -5.037 -0.891 1.00 0.00 ATOM 218 CD2 LEU 29 -1.467 -6.848 -2.561 1.00 0.00 ATOM 219 O LEU 29 -5.868 -6.098 -4.214 1.00 0.00 ATOM 220 C LEU 29 -5.192 -5.102 -4.091 1.00 0.00 ATOM 221 N LEU 30 -5.754 -3.920 -3.957 1.00 0.00 ATOM 222 CA LEU 30 -7.201 -3.760 -3.995 1.00 0.00 ATOM 223 CB LEU 30 -7.578 -2.289 -3.776 1.00 0.00 ATOM 224 CG LEU 30 -7.330 -1.755 -2.360 1.00 0.00 ATOM 225 CD1 LEU 30 -7.565 -0.251 -2.320 1.00 0.00 ATOM 226 CD2 LEU 30 -8.248 -2.470 -1.379 1.00 0.00 ATOM 227 O LEU 30 -8.759 -4.967 -5.357 1.00 0.00 ATOM 228 C LEU 30 -7.749 -4.270 -5.316 1.00 0.00 ATOM 229 N LYS 31 -7.086 -3.909 -6.403 1.00 0.00 ATOM 230 CA LYS 31 -7.511 -4.357 -7.714 1.00 0.00 ATOM 231 CB LYS 31 -6.597 -3.783 -8.797 1.00 0.00 ATOM 232 CG LYS 31 -7.005 -4.154 -10.215 1.00 0.00 ATOM 233 CD LYS 31 -6.098 -3.493 -11.241 1.00 0.00 ATOM 234 CE LYS 31 -6.475 -3.903 -12.654 1.00 0.00 ATOM 235 NZ LYS 31 -5.579 -3.284 -13.670 1.00 0.00 ATOM 236 O LYS 31 -8.419 -6.507 -8.280 1.00 0.00 ATOM 237 C LYS 31 -7.474 -5.884 -7.801 1.00 0.00 ATOM 238 N ARG 32 -6.385 -6.487 -7.341 1.00 0.00 ATOM 239 CA ARG 32 -6.272 -7.941 -7.418 1.00 0.00 ATOM 240 CB ARG 32 -4.885 -8.431 -7.030 1.00 0.00 ATOM 241 CG ARG 32 -3.790 -8.113 -8.035 1.00 0.00 ATOM 242 CD ARG 32 -2.428 -8.524 -7.607 1.00 0.00 ATOM 243 NE ARG 32 -1.375 -8.202 -8.557 1.00 0.00 ATOM 244 CZ ARG 32 -0.058 -8.373 -8.327 1.00 0.00 ATOM 245 NH1 ARG 32 0.374 -8.825 -7.172 1.00 0.00 ATOM 246 NH2 ARG 32 0.790 -8.050 -9.287 1.00 0.00 ATOM 247 O ARG 32 -7.767 -9.764 -6.954 1.00 0.00 ATOM 248 C ARG 32 -7.339 -8.660 -6.603 1.00 0.00 ATOM 249 N LYS 33 -7.786 -8.023 -5.530 1.00 0.00 ATOM 250 CA LYS 33 -8.796 -8.607 -4.654 1.00 0.00 ATOM 251 CB LYS 33 -8.629 -8.090 -3.225 1.00 0.00 ATOM 252 CG LYS 33 -7.345 -8.539 -2.539 1.00 0.00 ATOM 253 CD LYS 33 -7.269 -8.021 -1.111 1.00 0.00 ATOM 254 CE LYS 33 -5.980 -8.457 -0.430 1.00 0.00 ATOM 255 NZ LYS 33 -5.882 -7.937 0.960 1.00 0.00 ATOM 256 O LYS 33 -11.107 -9.219 -4.893 1.00 0.00 ATOM 257 C LYS 33 -10.239 -8.359 -5.080 1.00 0.00 ATOM 258 N TYR 34 -10.514 -7.167 -5.747 1.00 0.00 ATOM 259 CA TYR 34 -11.869 -6.779 -6.081 1.00 0.00 ATOM 260 CB TYR 34 -11.893 -5.366 -6.667 1.00 0.00 ATOM 261 CG TYR 34 -11.548 -4.282 -5.670 1.00 0.00 ATOM 262 CD1 TYR 34 -11.556 -4.540 -4.307 1.00 0.00 ATOM 263 CD2 TYR 34 -11.214 -3.005 -6.096 1.00 0.00 ATOM 264 CE1 TYR 34 -11.243 -3.553 -3.392 1.00 0.00 ATOM 265 CE2 TYR 34 -10.898 -2.011 -5.190 1.00 0.00 ATOM 266 CZ TYR 34 -10.913 -2.289 -3.839 1.00 0.00 ATOM 267 OH TYR 34 -10.599 -1.302 -2.932 1.00 0.00 ATOM 268 O TYR 34 -13.673 -8.132 -6.971 1.00 0.00 ATOM 269 C TYR 34 -12.508 -7.775 -7.073 1.00 0.00 ATOM 270 N PRO 35 -11.752 -8.204 -8.071 1.00 0.00 ATOM 271 CA PRO 35 -12.234 -9.153 -9.073 1.00 0.00 ATOM 272 CB PRO 35 -11.084 -9.251 -10.076 1.00 0.00 ATOM 273 CG PRO 35 -10.391 -7.933 -9.979 1.00 0.00 ATOM 274 CD PRO 35 -10.422 -7.551 -8.526 1.00 0.00 ATOM 275 O PRO 35 -13.460 -11.174 -8.743 1.00 0.00 ATOM 276 C PRO 35 -12.516 -10.469 -8.371 1.00 0.00 ATOM 277 N ASN 36 -11.688 -10.962 -7.332 1.00 0.00 ATOM 278 CA ASN 36 -11.944 -12.274 -6.718 1.00 0.00 ATOM 279 CB ASN 36 -10.812 -12.686 -5.796 1.00 0.00 ATOM 280 CG ASN 36 -9.559 -13.093 -6.521 1.00 0.00 ATOM 281 ND2 ASN 36 -8.471 -13.128 -5.794 1.00 0.00 ATOM 282 OD1 ASN 36 -9.588 -13.441 -7.706 1.00 0.00 ATOM 283 O ASN 36 -13.938 -13.279 -5.850 1.00 0.00 ATOM 284 C ASN 36 -13.259 -12.228 -5.984 1.00 0.00 ATOM 285 N ILE 37 -13.629 -11.052 -5.489 1.00 0.00 ATOM 286 CA ILE 37 -14.858 -10.875 -4.725 1.00 0.00 ATOM 287 CB ILE 37 -14.691 -9.813 -3.622 1.00 0.00 ATOM 288 CG1 ILE 37 -14.425 -8.439 -4.242 1.00 0.00 ATOM 289 CG2 ILE 37 -13.566 -10.201 -2.676 1.00 0.00 ATOM 290 CD1 ILE 37 -14.455 -7.303 -3.244 1.00 0.00 ATOM 291 O ILE 37 -17.139 -10.252 -5.045 1.00 0.00 ATOM 292 C ILE 37 -16.040 -10.477 -5.586 1.00 0.00 ATOM 293 N SER 38 -15.823 -10.317 -6.905 1.00 0.00 ATOM 294 CA SER 38 -16.862 -9.957 -7.865 1.00 0.00 ATOM 295 CB SER 38 -17.982 -10.978 -7.830 1.00 0.00 ATOM 296 OG SER 38 -17.532 -12.264 -8.157 1.00 0.00 ATOM 297 O SER 38 -18.597 -8.267 -7.822 1.00 0.00 ATOM 298 C SER 38 -17.420 -8.551 -7.594 1.00 0.00 ATOM 299 N PHE 39 -16.610 -7.468 -7.267 1.00 0.00 ATOM 300 CA PHE 39 -16.981 -6.107 -6.957 1.00 0.00 ATOM 301 CB PHE 39 -16.213 -5.609 -5.732 1.00 0.00 ATOM 302 CG PHE 39 -16.567 -4.208 -5.322 1.00 0.00 ATOM 303 CD1 PHE 39 -17.757 -3.942 -4.661 1.00 0.00 ATOM 304 CD2 PHE 39 -15.712 -3.152 -5.599 1.00 0.00 ATOM 305 CE1 PHE 39 -18.084 -2.653 -4.283 1.00 0.00 ATOM 306 CE2 PHE 39 -16.036 -1.862 -5.222 1.00 0.00 ATOM 307 CZ PHE 39 -17.223 -1.614 -4.564 1.00 0.00 ATOM 308 O PHE 39 -15.605 -5.300 -8.722 1.00 0.00 ATOM 309 C PHE 39 -16.686 -5.281 -8.216 1.00 0.00 ATOM 310 N LYS 40 -17.721 -4.637 -8.695 1.00 0.00 ATOM 311 CA LYS 40 -17.674 -3.780 -9.854 1.00 0.00 ATOM 312 CB LYS 40 -19.080 -3.562 -10.416 1.00 0.00 ATOM 313 CG LYS 40 -19.715 -4.806 -11.023 1.00 0.00 ATOM 314 CD LYS 40 -21.091 -4.501 -11.595 1.00 0.00 ATOM 315 CE LYS 40 -21.744 -5.751 -12.167 1.00 0.00 ATOM 316 NZ LYS 40 -23.090 -5.468 -12.733 1.00 0.00 ATOM 317 O LYS 40 -17.268 -1.893 -8.384 1.00 0.00 ATOM 318 C LYS 40 -17.019 -2.443 -9.487 1.00 0.00 ATOM 319 N TYR 41 -16.214 -1.879 -10.401 1.00 0.00 ATOM 320 CA TYR 41 -15.619 -0.601 -10.163 1.00 0.00 ATOM 321 CB TYR 41 -14.401 -0.741 -9.246 1.00 0.00 ATOM 322 CG TYR 41 -13.293 -1.592 -9.824 1.00 0.00 ATOM 323 CD1 TYR 41 -12.279 -1.025 -10.583 1.00 0.00 ATOM 324 CD2 TYR 41 -13.262 -2.963 -9.607 1.00 0.00 ATOM 325 CE1 TYR 41 -11.265 -1.799 -11.113 1.00 0.00 ATOM 326 CE2 TYR 41 -12.253 -3.746 -10.133 1.00 0.00 ATOM 327 CZ TYR 41 -11.256 -3.160 -10.885 1.00 0.00 ATOM 328 OH TYR 41 -10.248 -3.936 -11.410 1.00 0.00 ATOM 329 O TYR 41 -15.046 -0.795 -12.485 1.00 0.00 ATOM 330 C TYR 41 -15.262 -0.042 -11.566 1.00 0.00 ATOM 331 N THR 42 -15.205 1.246 -11.668 1.00 0.00 ATOM 332 CA THR 42 -14.660 1.932 -12.832 1.00 0.00 ATOM 333 CB THR 42 -15.332 3.301 -13.045 1.00 0.00 ATOM 334 CG2 THR 42 -14.714 4.018 -14.237 1.00 0.00 ATOM 335 OG1 THR 42 -16.735 3.118 -13.277 1.00 0.00 ATOM 336 O THR 42 -12.690 2.635 -11.641 1.00 0.00 ATOM 337 C THR 42 -13.156 2.104 -12.649 1.00 0.00 ATOM 338 N TYR 43 -11.903 1.969 -13.633 1.00 0.00 ATOM 339 CA TYR 43 -10.513 2.132 -13.436 1.00 0.00 ATOM 340 CB TYR 43 -9.731 1.101 -14.253 1.00 0.00 ATOM 341 CG TYR 43 -8.233 1.176 -14.061 1.00 0.00 ATOM 342 CD1 TYR 43 -7.644 0.733 -12.885 1.00 0.00 ATOM 343 CD2 TYR 43 -7.414 1.691 -15.057 1.00 0.00 ATOM 344 CE1 TYR 43 -6.275 0.796 -12.701 1.00 0.00 ATOM 345 CE2 TYR 43 -6.043 1.763 -14.891 1.00 0.00 ATOM 346 CZ TYR 43 -5.479 1.310 -13.702 1.00 0.00 ATOM 347 OH TYR 43 -4.115 1.376 -13.520 1.00 0.00 ATOM 348 O TYR 43 -10.440 3.852 -15.036 1.00 0.00 ATOM 349 C TYR 43 -10.171 3.549 -13.898 1.00 0.00 ATOM 350 N ILE 44 -9.624 4.292 -12.965 1.00 0.00 ATOM 351 CA ILE 44 -9.352 5.733 -13.267 1.00 0.00 ATOM 352 CB ILE 44 -9.918 6.656 -12.171 1.00 0.00 ATOM 353 CG1 ILE 44 -11.437 6.495 -12.070 1.00 0.00 ATOM 354 CG2 ILE 44 -9.549 8.104 -12.455 1.00 0.00 ATOM 355 CD1 ILE 44 -12.046 7.192 -10.875 1.00 0.00 ATOM 356 O ILE 44 -7.120 5.575 -12.473 1.00 0.00 ATOM 357 C ILE 44 -7.854 5.904 -13.398 1.00 0.00 ATOM 358 N ASP 45 -7.362 6.472 -14.503 1.00 0.00 ATOM 359 CA ASP 45 -5.963 6.612 -14.769 1.00 0.00 ATOM 360 CB ASP 45 -5.640 6.150 -16.192 1.00 0.00 ATOM 361 CG ASP 45 -4.163 6.227 -16.558 1.00 0.00 ATOM 362 OD1 ASP 45 -3.397 6.705 -15.754 1.00 0.00 ATOM 363 OD2 ASP 45 -3.791 5.670 -17.562 1.00 0.00 ATOM 364 O ASP 45 -5.997 8.988 -15.335 1.00 0.00 ATOM 365 C ASP 45 -5.663 8.096 -14.526 1.00 0.00 ATOM 366 N ILE 46 -4.948 8.450 -13.378 1.00 0.00 ATOM 367 CA ILE 46 -4.675 9.840 -12.997 1.00 0.00 ATOM 368 CB ILE 46 -4.168 9.939 -11.546 1.00 0.00 ATOM 369 CG1 ILE 46 -2.835 9.203 -11.394 1.00 0.00 ATOM 370 CG2 ILE 46 -5.203 9.378 -10.582 1.00 0.00 ATOM 371 CD1 ILE 46 -2.168 9.416 -10.054 1.00 0.00 ATOM 372 O ILE 46 -3.597 11.800 -13.908 1.00 0.00 ATOM 373 C ILE 46 -3.650 10.566 -13.879 1.00 0.00 ATOM 374 N THR 47 -2.855 9.797 -14.598 1.00 0.00 ATOM 375 CA THR 47 -1.862 10.390 -15.491 1.00 0.00 ATOM 376 CB THR 47 -0.926 9.320 -16.084 1.00 0.00 ATOM 377 CG2 THR 47 -0.176 8.594 -14.978 1.00 0.00 ATOM 378 OG1 THR 47 -1.695 8.373 -16.837 1.00 0.00 ATOM 379 O THR 47 -1.968 12.020 -17.249 1.00 0.00 ATOM 380 C THR 47 -2.562 11.145 -16.616 1.00 0.00 ATOM 381 N LYS 48 -3.924 10.776 -16.935 1.00 0.00 ATOM 382 CA LYS 48 -4.682 11.424 -17.997 1.00 0.00 ATOM 383 CB LYS 48 -6.071 10.795 -18.126 1.00 0.00 ATOM 384 CG LYS 48 -6.063 9.383 -18.688 1.00 0.00 ATOM 385 CD LYS 48 -7.470 8.817 -18.782 1.00 0.00 ATOM 386 CE LYS 48 -7.461 7.403 -19.338 1.00 0.00 ATOM 387 NZ LYS 48 -8.831 6.825 -19.406 1.00 0.00 ATOM 388 O LYS 48 -4.881 13.732 -18.626 1.00 0.00 ATOM 389 C LYS 48 -4.835 12.903 -17.690 1.00 0.00 ATOM 390 N ASP 49 -4.892 13.210 -16.406 1.00 0.00 ATOM 391 CA ASP 49 -5.040 14.602 -15.982 1.00 0.00 ATOM 392 CB ASP 49 -6.407 15.148 -16.398 1.00 0.00 ATOM 393 CG ASP 49 -6.542 16.661 -16.288 1.00 0.00 ATOM 394 OD1 ASP 49 -5.568 17.302 -15.970 1.00 0.00 ATOM 395 OD2 ASP 49 -7.564 17.176 -16.672 1.00 0.00 ATOM 396 O ASP 49 -5.369 14.053 -13.671 1.00 0.00 ATOM 397 C ASP 49 -4.870 14.825 -14.481 1.00 0.00 ATOM 398 N ASN 50 -4.166 15.919 -13.969 1.00 0.00 ATOM 399 CA ASN 50 -3.896 16.225 -12.560 1.00 0.00 ATOM 400 CB ASN 50 -3.058 17.499 -12.439 1.00 0.00 ATOM 401 CG ASN 50 -1.615 17.289 -12.857 1.00 0.00 ATOM 402 ND2 ASN 50 -0.930 18.380 -13.180 1.00 0.00 ATOM 403 OD1 ASN 50 -1.126 16.161 -12.887 1.00 0.00 ATOM 404 O ASN 50 -5.117 16.228 -10.524 1.00 0.00 ATOM 405 C ASN 50 -5.143 16.446 -11.736 1.00 0.00 ATOM 406 N ASP 51 -6.173 16.862 -12.383 1.00 0.00 ATOM 407 CA ASP 51 -7.431 17.111 -11.684 1.00 0.00 ATOM 408 CB ASP 51 -8.478 17.675 -12.648 1.00 0.00 ATOM 409 CG ASP 51 -8.197 19.114 -13.035 1.00 0.00 ATOM 410 OD1 ASP 51 -7.337 19.747 -12.386 1.00 0.00 ATOM 411 OD2 ASP 51 -8.836 19.608 -13.986 1.00 0.00 ATOM 412 O ASP 51 -8.628 15.754 -10.105 1.00 0.00 ATOM 413 C ASP 51 -7.914 15.773 -11.114 1.00 0.00 ATOM 414 N ASN 52 -7.576 14.651 -11.747 1.00 0.00 ATOM 415 CA ASN 52 -7.970 13.356 -11.219 1.00 0.00 ATOM 416 CB ASN 52 -7.285 12.222 -11.961 1.00 0.00 ATOM 417 CG ASN 52 -7.865 11.954 -13.322 1.00 0.00 ATOM 418 ND2 ASN 52 -7.037 12.096 -14.326 1.00 0.00 ATOM 419 OD1 ASN 52 -9.027 11.552 -13.457 1.00 0.00 ATOM 420 O ASN 52 -8.503 12.677 -8.960 1.00 0.00 ATOM 421 C ASN 52 -7.690 13.228 -9.719 1.00 0.00 ATOM 422 N LEU 53 -6.427 13.718 -9.375 1.00 0.00 ATOM 423 CA LEU 53 -6.027 13.644 -7.980 1.00 0.00 ATOM 424 CB LEU 53 -4.710 14.392 -7.760 1.00 0.00 ATOM 425 CG LEU 53 -3.458 13.754 -8.364 1.00 0.00 ATOM 426 CD1 LEU 53 -2.259 14.679 -8.216 1.00 0.00 ATOM 427 CD2 LEU 53 -3.134 12.442 -7.668 1.00 0.00 ATOM 428 O LEU 53 -7.537 13.652 -6.120 1.00 0.00 ATOM 429 C LEU 53 -7.090 14.266 -7.082 1.00 0.00 ATOM 430 N THR 54 -7.633 15.440 -7.437 1.00 0.00 ATOM 431 CA THR 54 -8.645 16.110 -6.639 1.00 0.00 ATOM 432 CB THR 54 -8.798 17.588 -7.046 1.00 0.00 ATOM 433 CG2 THR 54 -9.893 18.255 -6.228 1.00 0.00 ATOM 434 OG1 THR 54 -7.559 18.277 -6.832 1.00 0.00 ATOM 435 O THR 54 -10.656 15.176 -5.755 1.00 0.00 ATOM 436 C THR 54 -9.980 15.428 -6.762 1.00 0.00 ATOM 437 N ASP 55 -10.479 15.198 -8.054 1.00 0.00 ATOM 438 CA ASP 55 -11.860 14.685 -8.174 1.00 0.00 ATOM 439 CB ASP 55 -12.280 14.616 -9.643 1.00 0.00 ATOM 440 CG ASP 55 -12.548 15.984 -10.239 1.00 0.00 ATOM 441 OD1 ASP 55 -12.646 16.959 -9.465 1.00 0.00 ATOM 442 OD2 ASP 55 -12.656 16.081 -11.480 1.00 0.00 ATOM 443 O ASP 55 -12.953 12.958 -6.927 1.00 0.00 ATOM 444 C ASP 55 -11.948 13.295 -7.557 1.00 0.00 ATOM 445 N HIS 56 -10.903 12.489 -7.730 1.00 0.00 ATOM 446 CA HIS 56 -10.935 11.136 -7.191 1.00 0.00 ATOM 447 CB HIS 56 -9.682 10.359 -7.606 1.00 0.00 ATOM 448 CG HIS 56 -9.648 8.953 -7.092 1.00 0.00 ATOM 449 CD2 HIS 56 -8.893 8.373 -6.129 1.00 0.00 ATOM 450 ND1 HIS 56 -10.470 7.962 -7.585 1.00 0.00 ATOM 451 CE1 HIS 56 -10.221 6.831 -6.946 1.00 0.00 ATOM 452 NE2 HIS 56 -9.268 7.055 -6.059 1.00 0.00 ATOM 453 O HIS 56 -11.743 10.191 -5.157 1.00 0.00 ATOM 454 C HIS 56 -11.058 11.059 -5.681 1.00 0.00 ATOM 455 N ASP 57 -10.362 11.926 -4.970 1.00 0.00 ATOM 456 CA ASP 57 -10.505 12.003 -3.527 1.00 0.00 ATOM 457 CB ASP 57 -9.640 13.133 -2.963 1.00 0.00 ATOM 458 CG ASP 57 -8.161 12.803 -2.987 1.00 0.00 ATOM 459 OD1 ASP 57 -7.820 11.623 -3.213 1.00 0.00 ATOM 460 OD2 ASP 57 -7.344 13.723 -2.777 1.00 0.00 ATOM 461 O ASP 57 -12.473 11.700 -2.184 1.00 0.00 ATOM 462 C ASP 57 -11.962 12.269 -3.144 1.00 0.00 ATOM 463 N LEU 58 -12.579 13.155 -3.886 1.00 0.00 ATOM 464 CA LEU 58 -13.982 13.484 -3.648 1.00 0.00 ATOM 465 CB LEU 58 -14.419 14.635 -4.563 1.00 0.00 ATOM 466 CG LEU 58 -13.801 16.000 -4.235 1.00 0.00 ATOM 467 CD1 LEU 58 -14.164 17.010 -5.315 1.00 0.00 ATOM 468 CD2 LEU 58 -14.291 16.468 -2.873 1.00 0.00 ATOM 469 O LEU 58 -15.780 11.986 -3.089 1.00 0.00 ATOM 470 C LEU 58 -14.858 12.254 -3.866 1.00 0.00 ATOM 471 N GLN 59 -14.574 11.487 -4.914 1.00 0.00 ATOM 472 CA GLN 59 -15.333 10.281 -5.224 1.00 0.00 ATOM 473 CB GLN 59 -14.889 9.700 -6.569 1.00 0.00 ATOM 474 CG GLN 59 -15.296 10.534 -7.772 1.00 0.00 ATOM 475 CD GLN 59 -14.729 9.992 -9.070 1.00 0.00 ATOM 476 OE1 GLN 59 -13.948 9.036 -9.072 1.00 0.00 ATOM 477 NE2 GLN 59 -15.116 10.602 -10.185 1.00 0.00 ATOM 478 O GLN 59 -16.120 8.610 -3.642 1.00 0.00 ATOM 479 C GLN 59 -15.151 9.238 -4.107 1.00 0.00 ATOM 480 N PHE 60 -13.907 9.063 -3.682 1.00 0.00 ATOM 481 CA PHE 60 -13.630 8.080 -2.631 1.00 0.00 ATOM 482 CB PHE 60 -12.125 7.982 -2.374 1.00 0.00 ATOM 483 CG PHE 60 -11.746 6.894 -1.409 1.00 0.00 ATOM 484 CD1 PHE 60 -12.581 5.806 -1.205 1.00 0.00 ATOM 485 CD2 PHE 60 -10.554 6.958 -0.704 1.00 0.00 ATOM 486 CE1 PHE 60 -12.232 4.805 -0.317 1.00 0.00 ATOM 487 CE2 PHE 60 -10.202 5.959 0.183 1.00 0.00 ATOM 488 CZ PHE 60 -11.043 4.881 0.376 1.00 0.00 ATOM 489 O PHE 60 -14.933 7.576 -0.697 1.00 0.00 ATOM 490 C PHE 60 -14.356 8.424 -1.344 1.00 0.00 ATOM 491 N ILE 61 -14.332 9.687 -0.994 1.00 0.00 ATOM 492 CA ILE 61 -15.003 10.124 0.223 1.00 0.00 ATOM 493 CB ILE 61 -14.671 11.590 0.556 1.00 0.00 ATOM 494 CG1 ILE 61 -13.195 11.729 0.940 1.00 0.00 ATOM 495 CG2 ILE 61 -15.567 12.097 1.675 1.00 0.00 ATOM 496 CD1 ILE 61 -12.720 13.162 1.026 1.00 0.00 ATOM 497 O ILE 61 -17.170 9.568 1.097 1.00 0.00 ATOM 498 C ILE 61 -16.521 9.981 0.136 1.00 0.00 ATOM 499 N GLU 62 -17.104 10.340 -1.027 1.00 0.00 ATOM 500 CA GLU 62 -18.542 10.234 -1.243 1.00 0.00 ATOM 501 CB GLU 62 -18.914 10.748 -2.635 1.00 0.00 ATOM 502 CG GLU 62 -18.790 12.256 -2.803 1.00 0.00 ATOM 503 CD GLU 62 -19.051 12.671 -4.224 1.00 0.00 ATOM 504 OE1 GLU 62 -19.243 11.809 -5.049 1.00 0.00 ATOM 505 OE2 GLU 62 -19.173 13.849 -4.465 1.00 0.00 ATOM 506 O GLU 62 -19.970 8.494 -0.395 1.00 0.00 ATOM 507 C GLU 62 -18.972 8.778 -1.058 1.00 0.00 ATOM 508 N ARG 63 -18.198 7.862 -1.614 1.00 0.00 ATOM 509 CA ARG 63 -18.508 6.439 -1.482 1.00 0.00 ATOM 510 CB ARG 63 -17.660 5.578 -2.407 1.00 0.00 ATOM 511 CG ARG 63 -18.002 5.697 -3.883 1.00 0.00 ATOM 512 CD ARG 63 -17.120 4.908 -4.781 1.00 0.00 ATOM 513 NE ARG 63 -17.434 5.031 -6.196 1.00 0.00 ATOM 514 CZ ARG 63 -16.722 4.465 -7.190 1.00 0.00 ATOM 515 NH1 ARG 63 -15.638 3.769 -6.934 1.00 0.00 ATOM 516 NH2 ARG 63 -17.132 4.649 -8.433 1.00 0.00 ATOM 517 O ARG 63 -19.196 5.203 0.410 1.00 0.00 ATOM 518 C ARG 63 -18.394 5.994 -0.057 1.00 0.00 ATOM 519 N ILE 64 -17.375 6.485 0.630 1.00 0.00 ATOM 520 CA ILE 64 -17.183 6.082 1.993 1.00 0.00 ATOM 521 CB ILE 64 -15.901 6.677 2.603 1.00 0.00 ATOM 522 CG1 ILE 64 -14.681 5.940 2.020 1.00 0.00 ATOM 523 CG2 ILE 64 -15.910 6.558 4.175 1.00 0.00 ATOM 524 CD1 ILE 64 -13.389 6.741 2.179 1.00 0.00 ATOM 525 O ILE 64 -18.928 5.722 3.613 1.00 0.00 ATOM 526 C ILE 64 -18.410 6.499 2.808 1.00 0.00 ATOM 527 N GLU 65 -18.878 7.724 2.596 1.00 0.00 ATOM 528 CA GLU 65 -20.038 8.210 3.331 1.00 0.00 ATOM 529 CB GLU 65 -20.230 9.709 3.097 1.00 0.00 ATOM 530 CG GLU 65 -19.166 10.581 3.746 1.00 0.00 ATOM 531 CD GLU 65 -19.317 12.046 3.391 1.00 0.00 ATOM 532 OE1 GLU 65 -20.211 12.373 2.582 1.00 0.00 ATOM 533 OE2 GLU 65 -18.543 12.869 3.922 1.00 0.00 ATOM 534 O GLU 65 -22.105 7.064 3.732 1.00 0.00 ATOM 535 C GLU 65 -21.291 7.457 2.898 1.00 0.00 ATOM 536 N GLN 66 -21.484 7.269 1.583 1.00 0.00 ATOM 537 CA GLN 66 -22.654 6.565 1.066 1.00 0.00 ATOM 538 CB GLN 66 -22.685 6.546 -0.463 1.00 0.00 ATOM 539 CG GLN 66 -22.974 7.898 -1.095 1.00 0.00 ATOM 540 CD GLN 66 -22.884 7.864 -2.608 1.00 0.00 ATOM 541 OE1 GLN 66 -22.517 6.848 -3.195 1.00 0.00 ATOM 542 NE2 GLN 66 -23.222 8.981 -3.245 1.00 0.00 ATOM 543 O GLN 66 -23.747 4.585 1.874 1.00 0.00 ATOM 544 C GLN 66 -22.686 5.112 1.548 1.00 0.00 ATOM 545 N ASP 67 -21.527 4.473 1.643 1.00 0.00 ATOM 546 CA ASP 67 -21.499 3.079 2.064 1.00 0.00 ATOM 547 CB ASP 67 -20.439 2.302 1.279 1.00 0.00 ATOM 548 CG ASP 67 -20.771 2.096 -0.193 1.00 0.00 ATOM 549 OD1 ASP 67 -21.913 2.257 -0.552 1.00 0.00 ATOM 550 OD2 ASP 67 -19.860 1.934 -0.969 1.00 0.00 ATOM 551 O ASP 67 -20.989 1.678 3.927 1.00 0.00 ATOM 552 C ASP 67 -21.244 2.809 3.537 1.00 0.00 ATOM 553 N GLU 68 -21.322 4.006 4.470 1.00 0.00 ATOM 554 CA GLU 68 -21.087 3.819 5.897 1.00 0.00 ATOM 555 CB GLU 68 -22.069 2.797 6.472 1.00 0.00 ATOM 556 CG GLU 68 -23.535 3.180 6.324 1.00 0.00 ATOM 557 CD GLU 68 -24.432 2.172 6.984 1.00 0.00 ATOM 558 OE1 GLU 68 -23.927 1.223 7.533 1.00 0.00 ATOM 559 OE2 GLU 68 -25.617 2.407 7.038 1.00 0.00 ATOM 560 O GLU 68 -19.513 2.841 7.362 1.00 0.00 ATOM 561 C GLU 68 -19.700 3.381 6.272 1.00 0.00 ATOM 562 N LEU 69 -18.713 3.566 5.435 1.00 0.00 ATOM 563 CA LEU 69 -17.367 3.123 5.780 1.00 0.00 ATOM 564 CB LEU 69 -16.444 3.232 4.560 1.00 0.00 ATOM 565 CG LEU 69 -16.380 1.981 3.676 1.00 0.00 ATOM 566 CD1 LEU 69 -17.780 1.588 3.225 1.00 0.00 ATOM 567 CD2 LEU 69 -15.485 2.251 2.475 1.00 0.00 ATOM 568 O LEU 69 -16.770 5.183 6.877 1.00 0.00 ATOM 569 C LEU 69 -16.844 3.953 6.948 1.00 0.00 ATOM 570 N PHE 70 -16.392 3.334 8.133 1.00 0.00 ATOM 571 CA PHE 70 -15.886 4.074 9.289 1.00 0.00 ATOM 572 CB PHE 70 -16.927 4.091 10.410 1.00 0.00 ATOM 573 CG PHE 70 -16.510 4.888 11.613 1.00 0.00 ATOM 574 CD1 PHE 70 -16.554 6.274 11.595 1.00 0.00 ATOM 575 CD2 PHE 70 -16.071 4.254 12.765 1.00 0.00 ATOM 576 CE1 PHE 70 -16.170 7.008 12.701 1.00 0.00 ATOM 577 CE2 PHE 70 -15.688 4.984 13.874 1.00 0.00 ATOM 578 CZ PHE 70 -15.737 6.364 13.840 1.00 0.00 ATOM 579 O PHE 70 -14.598 2.189 10.024 1.00 0.00 ATOM 580 C PHE 70 -14.594 3.377 9.687 1.00 0.00 ATOM 581 N TYR 71 -13.527 4.120 9.688 1.00 0.00 ATOM 582 CA TYR 71 -12.226 3.550 10.001 1.00 0.00 ATOM 583 CB TYR 71 -11.418 3.327 8.721 1.00 0.00 ATOM 584 CG TYR 71 -12.069 2.376 7.742 1.00 0.00 ATOM 585 CD1 TYR 71 -12.934 2.844 6.764 1.00 0.00 ATOM 586 CD2 TYR 71 -11.815 1.014 7.798 1.00 0.00 ATOM 587 CE1 TYR 71 -13.534 1.979 5.867 1.00 0.00 ATOM 588 CE2 TYR 71 -12.408 0.141 6.906 1.00 0.00 ATOM 589 CZ TYR 71 -13.266 0.627 5.942 1.00 0.00 ATOM 590 OH TYR 71 -13.858 -0.238 5.050 1.00 0.00 ATOM 591 O TYR 71 -11.496 5.623 10.968 1.00 0.00 ATOM 592 C TYR 71 -11.398 4.397 10.959 1.00 0.00 ATOM 593 N PRO 72 -10.455 3.748 11.625 1.00 0.00 ATOM 594 CA PRO 72 -9.518 4.410 12.537 1.00 0.00 ATOM 595 CB PRO 72 -8.937 3.263 13.365 1.00 0.00 ATOM 596 CG PRO 72 -9.016 2.076 12.469 1.00 0.00 ATOM 597 CD PRO 72 -10.257 2.261 11.639 1.00 0.00 ATOM 598 O PRO 72 -8.071 4.696 10.664 1.00 0.00 ATOM 599 C PRO 72 -8.442 5.140 11.755 1.00 0.00 ATOM 600 N LEU 73 -8.027 6.306 12.257 1.00 0.00 ATOM 601 CA LEU 73 -6.966 7.090 11.647 1.00 0.00 ATOM 602 CB LEU 73 -7.501 8.446 11.184 1.00 0.00 ATOM 603 CG LEU 73 -6.482 9.399 10.558 1.00 0.00 ATOM 604 CD1 LEU 73 -5.885 8.794 9.296 1.00 0.00 ATOM 605 CD2 LEU 73 -7.139 10.720 10.185 1.00 0.00 ATOM 606 O LEU 73 -6.021 7.992 13.718 1.00 0.00 ATOM 607 C LEU 73 -5.833 7.323 12.674 1.00 0.00 ATOM 608 N ILE 74 -4.737 6.572 12.232 1.00 0.00 ATOM 609 CA ILE 74 -3.503 6.785 12.983 1.00 0.00 ATOM 610 CB ILE 74 -2.665 5.496 13.068 1.00 0.00 ATOM 611 CG1 ILE 74 -3.429 4.411 13.829 1.00 0.00 ATOM 612 CG2 ILE 74 -1.353 5.760 13.792 1.00 0.00 ATOM 613 CD1 ILE 74 -2.800 3.038 13.729 1.00 0.00 ATOM 614 O ILE 74 -2.398 7.903 11.166 1.00 0.00 ATOM 615 C ILE 74 -2.588 7.843 12.384 1.00 0.00 ATOM 616 N THR 75 -2.047 8.679 13.262 1.00 0.00 ATOM 617 CA THR 75 -1.095 9.721 12.929 1.00 0.00 ATOM 618 CB THR 75 -1.705 11.124 13.113 1.00 0.00 ATOM 619 CG2 THR 75 -2.910 11.304 12.203 1.00 0.00 ATOM 620 OG1 THR 75 -2.111 11.295 14.477 1.00 0.00 ATOM 621 O THR 75 -0.116 9.420 15.035 1.00 0.00 ATOM 622 C THR 75 0.103 9.500 13.841 1.00 0.00 ATOM 623 N MET 76 1.410 9.440 13.317 1.00 0.00 ATOM 624 CA MET 76 2.623 9.230 14.127 1.00 0.00 ATOM 625 CB MET 76 3.326 7.942 13.702 1.00 0.00 ATOM 626 CG MET 76 4.623 7.657 14.447 1.00 0.00 ATOM 627 SD MET 76 5.363 6.082 13.975 1.00 0.00 ATOM 628 CE MET 76 5.897 6.445 12.305 1.00 0.00 ATOM 629 O MET 76 3.838 10.941 12.911 1.00 0.00 ATOM 630 C MET 76 3.573 10.421 14.004 1.00 0.00 ATOM 631 N ASN 77 4.079 10.847 15.142 1.00 0.00 ATOM 632 CA ASN 77 4.943 12.026 15.211 1.00 0.00 ATOM 633 CB ASN 77 6.356 11.706 14.758 1.00 0.00 ATOM 634 CG ASN 77 7.072 10.731 15.651 1.00 0.00 ATOM 635 ND2 ASN 77 8.048 10.064 15.091 1.00 0.00 ATOM 636 OD1 ASN 77 6.794 10.638 16.852 1.00 0.00 ATOM 637 O ASN 77 5.100 13.719 13.555 1.00 0.00 ATOM 638 C ASN 77 4.384 13.185 14.391 1.00 0.00 ATOM 639 N ASP 78 3.046 13.595 14.590 1.00 0.00 ATOM 640 CA ASP 78 2.421 14.698 13.835 1.00 0.00 ATOM 641 CB ASP 78 3.227 15.988 14.002 1.00 0.00 ATOM 642 CG ASP 78 3.321 16.489 15.437 1.00 0.00 ATOM 643 OD1 ASP 78 2.308 16.547 16.093 1.00 0.00 ATOM 644 OD2 ASP 78 4.417 16.660 15.915 1.00 0.00 ATOM 645 O ASP 78 1.900 15.516 11.604 1.00 0.00 ATOM 646 C ASP 78 2.205 14.533 12.328 1.00 0.00 ATOM 647 N GLU 79 2.291 13.300 11.813 1.00 0.00 ATOM 648 CA GLU 79 2.085 13.008 10.393 1.00 0.00 ATOM 649 CB GLU 79 3.404 12.635 9.713 1.00 0.00 ATOM 650 CG GLU 79 4.430 13.755 9.688 1.00 0.00 ATOM 651 CD GLU 79 5.717 13.354 8.996 1.00 0.00 ATOM 652 OE1 GLU 79 5.827 12.181 8.582 1.00 0.00 ATOM 653 OE2 GLU 79 6.616 14.211 8.870 1.00 0.00 ATOM 654 O GLU 79 1.071 10.931 11.029 1.00 0.00 ATOM 655 C GLU 79 1.113 11.843 10.201 1.00 0.00 ATOM 656 N TYR 80 0.337 11.858 9.112 1.00 0.00 ATOM 657 CA TYR 80 -0.609 10.768 8.844 1.00 0.00 ATOM 658 CB TYR 80 -1.410 11.056 7.571 1.00 0.00 ATOM 659 CG TYR 80 -2.403 12.187 7.715 1.00 0.00 ATOM 660 CD1 TYR 80 -2.160 13.425 7.138 1.00 0.00 ATOM 661 CD2 TYR 80 -3.581 12.015 8.426 1.00 0.00 ATOM 662 CE1 TYR 80 -3.063 14.464 7.265 1.00 0.00 ATOM 663 CE2 TYR 80 -4.491 13.045 8.560 1.00 0.00 ATOM 664 CZ TYR 80 -4.229 14.268 7.978 1.00 0.00 ATOM 665 OH TYR 80 -5.133 15.297 8.107 1.00 0.00 ATOM 666 O TYR 80 1.243 9.447 8.114 1.00 0.00 ATOM 667 C TYR 80 0.193 9.465 8.731 1.00 0.00 ATOM 668 N VAL 81 -0.513 8.121 9.279 1.00 0.00 ATOM 669 CA VAL 81 0.154 6.822 9.426 1.00 0.00 ATOM 670 CB VAL 81 0.360 6.457 10.908 1.00 0.00 ATOM 671 CG1 VAL 81 0.901 5.041 11.038 1.00 0.00 ATOM 672 CG2 VAL 81 1.302 7.448 11.575 1.00 0.00 ATOM 673 O VAL 81 -0.173 4.965 7.892 1.00 0.00 ATOM 674 C VAL 81 -0.666 5.726 8.735 1.00 0.00 ATOM 675 N ALA 82 -1.935 5.598 9.035 1.00 0.00 ATOM 676 CA ALA 82 -2.781 4.633 8.366 1.00 0.00 ATOM 677 CB ALA 82 -2.498 3.231 8.883 1.00 0.00 ATOM 678 O ALA 82 -4.573 5.778 9.467 1.00 0.00 ATOM 679 C ALA 82 -4.240 4.949 8.609 1.00 0.00 ATOM 680 N ASP 83 -5.095 4.375 7.768 1.00 0.00 ATOM 681 CA ASP 83 -6.530 4.558 7.878 1.00 0.00 ATOM 682 CB ASP 83 -7.029 5.536 6.812 1.00 0.00 ATOM 683 CG ASP 83 -8.295 6.291 7.195 1.00 0.00 ATOM 684 OD1 ASP 83 -8.732 6.151 8.312 1.00 0.00 ATOM 685 OD2 ASP 83 -8.724 7.118 6.427 1.00 0.00 ATOM 686 O ASP 83 -6.313 2.295 7.105 1.00 0.00 ATOM 687 C ASP 83 -6.986 3.132 7.727 1.00 0.00 ATOM 688 N GLY 84 -8.247 2.826 8.264 1.00 0.00 ATOM 689 CA GLY 84 -8.780 1.532 8.152 1.00 0.00 ATOM 690 O GLY 84 -7.342 0.762 9.903 1.00 0.00 ATOM 691 C GLY 84 -8.192 0.468 9.056 1.00 0.00 ATOM 692 N TYR 85 -8.661 -0.752 8.844 1.00 0.00 ATOM 693 CA TYR 85 -8.199 -1.878 9.670 1.00 0.00 ATOM 694 CB TYR 85 -9.136 -3.077 9.515 1.00 0.00 ATOM 695 CG TYR 85 -8.720 -4.288 10.320 1.00 0.00 ATOM 696 CD1 TYR 85 -8.916 -4.334 11.693 1.00 0.00 ATOM 697 CD2 TYR 85 -8.136 -5.385 9.704 1.00 0.00 ATOM 698 CE1 TYR 85 -8.538 -5.438 12.432 1.00 0.00 ATOM 699 CE2 TYR 85 -7.754 -6.494 10.432 1.00 0.00 ATOM 700 CZ TYR 85 -7.956 -6.516 11.797 1.00 0.00 ATOM 701 OH TYR 85 -7.579 -7.620 12.528 1.00 0.00 ATOM 702 O TYR 85 -6.439 -2.265 8.102 1.00 0.00 ATOM 703 C TYR 85 -6.776 -2.223 9.257 1.00 0.00 ATOM 704 N ILE 86 -5.909 -2.500 10.230 1.00 0.00 ATOM 705 CA ILE 86 -4.542 -2.905 9.908 1.00 0.00 ATOM 706 CB ILE 86 -3.600 -1.691 9.817 1.00 0.00 ATOM 707 CG1 ILE 86 -2.224 -2.119 9.300 1.00 0.00 ATOM 708 CG2 ILE 86 -3.475 -1.012 11.173 1.00 0.00 ATOM 709 CD1 ILE 86 -1.341 -0.965 8.885 1.00 0.00 ATOM 710 O ILE 86 -4.504 -3.690 12.128 1.00 0.00 ATOM 711 C ILE 86 -4.121 -3.858 10.987 1.00 0.00 ATOM 712 N GLN 87 -3.345 -4.863 10.631 1.00 0.00 ATOM 713 CA GLN 87 -2.893 -5.804 11.624 1.00 0.00 ATOM 714 CB GLN 87 -2.937 -7.231 11.070 1.00 0.00 ATOM 715 CG GLN 87 -4.327 -7.710 10.691 1.00 0.00 ATOM 716 CD GLN 87 -4.318 -9.105 10.098 1.00 0.00 ATOM 717 OE1 GLN 87 -3.271 -9.754 10.018 1.00 0.00 ATOM 718 NE2 GLN 87 -5.486 -9.574 9.672 1.00 0.00 ATOM 719 O GLN 87 -0.830 -4.591 11.375 1.00 0.00 ATOM 720 C GLN 87 -1.471 -5.404 12.035 1.00 0.00 ATOM 721 N THR 88 -0.985 -5.967 13.134 1.00 0.00 ATOM 722 CA THR 88 0.369 -5.661 13.578 1.00 0.00 ATOM 723 CB THR 88 0.697 -6.357 14.911 1.00 0.00 ATOM 724 CG2 THR 88 2.131 -6.066 15.327 1.00 0.00 ATOM 725 OG1 THR 88 -0.196 -5.890 15.930 1.00 0.00 ATOM 726 O THR 88 2.393 -5.467 12.331 1.00 0.00 ATOM 727 C THR 88 1.356 -6.089 12.511 1.00 0.00 ATOM 728 N LYS 89 1.081 -7.212 11.845 1.00 0.00 ATOM 729 CA LYS 89 2.010 -7.694 10.834 1.00 0.00 ATOM 730 CB LYS 89 1.532 -9.029 10.260 1.00 0.00 ATOM 731 CG LYS 89 1.636 -10.195 11.229 1.00 0.00 ATOM 732 CD LYS 89 1.148 -11.487 10.594 1.00 0.00 ATOM 733 CE LYS 89 1.229 -12.648 11.572 1.00 0.00 ATOM 734 NZ LYS 89 0.723 -13.913 10.975 1.00 0.00 ATOM 735 O LYS 89 3.215 -6.346 9.251 1.00 0.00 ATOM 736 C LYS 89 2.116 -6.682 9.693 1.00 0.00 ATOM 737 N GLN 90 0.964 -6.152 9.285 1.00 0.00 ATOM 738 CA GLN 90 0.921 -5.131 8.245 1.00 0.00 ATOM 739 CB GLN 90 -0.527 -4.812 7.866 1.00 0.00 ATOM 740 CG GLN 90 -1.238 -5.931 7.125 1.00 0.00 ATOM 741 CD GLN 90 -2.670 -5.575 6.774 1.00 0.00 ATOM 742 OE1 GLN 90 -3.542 -5.522 7.646 1.00 0.00 ATOM 743 NE2 GLN 90 -2.922 -5.333 5.493 1.00 0.00 ATOM 744 O GLN 90 2.323 -3.181 7.865 1.00 0.00 ATOM 745 C GLN 90 1.627 -3.835 8.673 1.00 0.00 ATOM 746 N ILE 91 1.482 -3.449 9.947 1.00 0.00 ATOM 747 CA ILE 91 2.133 -2.237 10.452 1.00 0.00 ATOM 748 CB ILE 91 1.736 -1.925 11.907 1.00 0.00 ATOM 749 CG1 ILE 91 0.257 -1.546 11.987 1.00 0.00 ATOM 750 CG2 ILE 91 2.561 -0.768 12.448 1.00 0.00 ATOM 751 CD1 ILE 91 -0.283 -1.483 13.398 1.00 0.00 ATOM 752 O ILE 91 4.363 -1.624 9.862 1.00 0.00 ATOM 753 C ILE 91 3.651 -2.452 10.381 1.00 0.00 ATOM 754 N THR 92 4.134 -3.588 10.871 1.00 0.00 ATOM 755 CA THR 92 5.570 -3.859 10.847 1.00 0.00 ATOM 756 CB THR 92 5.904 -5.200 11.527 1.00 0.00 ATOM 757 CG2 THR 92 7.396 -5.483 11.442 1.00 0.00 ATOM 758 OG1 THR 92 5.509 -5.151 12.904 1.00 0.00 ATOM 759 O THR 92 7.204 -3.360 9.142 1.00 0.00 ATOM 760 C THR 92 6.102 -3.879 9.419 1.00 0.00 ATOM 761 N ARG 93 5.345 -4.457 8.503 1.00 0.00 ATOM 762 CA ARG 93 5.761 -4.529 7.099 1.00 0.00 ATOM 763 CB ARG 93 4.872 -5.455 6.284 1.00 0.00 ATOM 764 CG ARG 93 5.033 -6.935 6.594 1.00 0.00 ATOM 765 CD ARG 93 4.117 -7.824 5.836 1.00 0.00 ATOM 766 NE ARG 93 4.253 -9.237 6.148 1.00 0.00 ATOM 767 CZ ARG 93 3.483 -10.213 5.628 1.00 0.00 ATOM 768 NH1 ARG 93 2.501 -9.933 4.801 1.00 0.00 ATOM 769 NH2 ARG 93 3.728 -11.461 5.989 1.00 0.00 ATOM 770 O ARG 93 6.736 -2.789 5.760 1.00 0.00 ATOM 771 C ARG 93 5.827 -3.122 6.519 1.00 0.00 ATOM 772 N PHE 94 4.804 -2.306 6.823 1.00 0.00 ATOM 773 CA PHE 94 4.744 -0.926 6.353 1.00 0.00 ATOM 774 CB PHE 94 3.487 -0.235 6.886 1.00 0.00 ATOM 775 CG PHE 94 3.476 1.251 6.673 1.00 0.00 ATOM 776 CD1 PHE 94 3.385 1.784 5.395 1.00 0.00 ATOM 777 CD2 PHE 94 3.558 2.122 7.750 1.00 0.00 ATOM 778 CE1 PHE 94 3.375 3.152 5.199 1.00 0.00 ATOM 779 CE2 PHE 94 3.548 3.489 7.557 1.00 0.00 ATOM 780 CZ PHE 94 3.457 4.004 6.278 1.00 0.00 ATOM 781 O PHE 94 6.639 0.510 5.985 1.00 0.00 ATOM 782 C PHE 94 6.002 -0.177 6.787 1.00 0.00 ATOM 783 N ILE 95 6.271 -0.303 8.029 1.00 0.00 ATOM 784 CA ILE 95 7.434 0.379 8.582 1.00 0.00 ATOM 785 CB ILE 95 7.568 0.131 10.096 1.00 0.00 ATOM 786 CG1 ILE 95 6.421 0.805 10.850 1.00 0.00 ATOM 787 CG2 ILE 95 8.881 0.696 10.615 1.00 0.00 ATOM 788 CD1 ILE 95 6.317 0.393 12.302 1.00 0.00 ATOM 789 O ILE 95 9.569 0.725 7.544 1.00 0.00 ATOM 790 C ILE 95 8.725 -0.092 7.915 1.00 0.00 ATOM 791 N ASP 96 8.876 -1.407 7.753 1.00 0.00 ATOM 792 CA ASP 96 10.083 -1.943 7.124 1.00 0.00 ATOM 793 CB ASP 96 10.045 -3.473 7.108 1.00 0.00 ATOM 794 CG ASP 96 10.261 -4.122 8.468 1.00 0.00 ATOM 795 OD1 ASP 96 10.663 -3.434 9.377 1.00 0.00 ATOM 796 OD2 ASP 96 9.875 -5.255 8.632 1.00 0.00 ATOM 797 O ASP 96 11.389 -1.008 5.337 1.00 0.00 ATOM 798 C ASP 96 10.286 -1.429 5.697 1.00 0.00 ATOM 799 N GLN 97 9.228 -1.454 4.919 1.00 0.00 ATOM 800 CA GLN 97 9.314 -0.989 3.539 1.00 0.00 ATOM 801 CB GLN 97 8.049 -1.314 2.760 1.00 0.00 ATOM 802 CG GLN 97 7.872 -2.830 2.565 1.00 0.00 ATOM 803 CD GLN 97 6.648 -3.182 1.725 1.00 0.00 ATOM 804 OE1 GLN 97 5.995 -2.306 1.147 1.00 0.00 ATOM 805 NE2 GLN 97 6.349 -4.479 1.629 1.00 0.00 ATOM 806 O GLN 97 10.367 1.003 2.717 1.00 0.00 ATOM 807 C GLN 97 9.592 0.511 3.543 1.00 0.00 ATOM 808 N LYS 98 8.977 1.286 4.463 1.00 0.00 ATOM 809 CA LYS 98 9.285 2.724 4.500 1.00 0.00 ATOM 810 CB LYS 98 8.439 3.425 5.564 1.00 0.00 ATOM 811 CG LYS 98 8.653 4.930 5.648 1.00 0.00 ATOM 812 CD LYS 98 7.724 5.566 6.670 1.00 0.00 ATOM 813 CE LYS 98 7.955 7.067 6.771 1.00 0.00 ATOM 814 NZ LYS 98 7.060 7.701 7.777 1.00 0.00 ATOM 815 O LYS 98 11.406 3.881 4.227 1.00 0.00 ATOM 816 C LYS 98 10.772 2.976 4.768 1.00 0.00 ATOM 817 N LEU 99 11.305 2.145 5.646 1.00 0.00 ATOM 818 CA LEU 99 12.727 2.206 5.996 1.00 0.00 ATOM 819 CB LEU 99 13.056 1.153 7.062 1.00 0.00 ATOM 820 CG LEU 99 12.438 1.406 8.443 1.00 0.00 ATOM 821 CD1 LEU 99 12.706 0.220 9.360 1.00 0.00 ATOM 822 CD2 LEU 99 13.014 2.685 9.032 1.00 0.00 ATOM 823 O LEU 99 14.701 2.539 4.784 1.00 0.00 ATOM 824 C LEU 99 13.621 2.013 4.790 1.00 0.00 ATOM 825 N VAL 100 13.097 1.255 3.729 1.00 0.00 ATOM 826 CA VAL 100 13.968 1.061 2.574 1.00 0.00 ATOM 827 CB VAL 100 13.841 -0.360 1.988 1.00 0.00 ATOM 828 CG1 VAL 100 14.219 -1.383 3.030 1.00 0.00 ATOM 829 CG2 VAL 100 12.426 -0.623 1.498 1.00 0.00 ATOM 830 O VAL 100 14.385 1.965 0.381 1.00 0.00 ATOM 831 C VAL 100 13.843 2.124 1.472 1.00 0.00 ATOM 832 N ASN 101 13.054 3.164 1.672 1.00 0.00 ATOM 833 CA ASN 101 12.947 4.265 0.721 1.00 0.00 ATOM 834 CB ASN 101 14.326 4.859 0.429 1.00 0.00 ATOM 835 CG ASN 101 14.250 6.271 -0.117 1.00 0.00 ATOM 836 ND2 ASN 101 15.234 6.644 -0.926 1.00 0.00 ATOM 837 OD1 ASN 101 13.315 7.014 0.183 1.00 0.00 ATOM 838 O ASN 101 12.610 4.192 -1.683 1.00 0.00 ATOM 839 C ASN 101 12.337 3.712 -0.570 1.00 0.00 ATOM 840 N GLU 102 11.442 2.746 -0.350 1.00 0.00 ATOM 841 CA GLU 102 10.642 2.185 -1.423 1.00 0.00 ATOM 842 CB GLU 102 11.243 0.862 -1.905 1.00 0.00 ATOM 843 CG GLU 102 12.627 0.989 -2.524 1.00 0.00 ATOM 844 CD GLU 102 13.136 -0.342 -3.002 1.00 0.00 ATOM 845 OE1 GLU 102 12.424 -1.309 -2.876 1.00 0.00 ATOM 846 OE2 GLU 102 14.188 -0.375 -3.595 1.00 0.00 ATOM 847 O GLU 102 8.732 0.860 -0.826 1.00 0.00 ATOM 848 C GLU 102 9.204 1.990 -0.939 1.00 0.00 TER END