https://cyana.org/w/api.php?action=feedcontributions&feedformat=atom&user=Donata 2026-05-13T22:22:29Z User contributions MediaWiki 1.45.1 https://cyana.org/w/index.php?title=DG_Cartesian_coordinate_file&diff=6582 2009-07-22T08:34:42Z

<p>Donata: </p> <hr /> <div>Cartesian coordinate files in DG format are used by CYANA for the input<br /> and output of conformations. The format of the data lines is:<br /> (6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue<br /> number and name, and the x-, y- and z-coordinates of the atom. For<br /> compatibility with other programs, the first three lines are always comment<br /> lines even if they do not start with “#”; further comment lines are<br /> not allowed. Optionally, the Cartesian atomic coordinates may be followed<br /> by the covalent connectivities, in this case the format is<br /> (6X,A5,I6,1X,A5,3F11.4,4I6).<br /> <br /> On input Cartesian coordinates are only used to calculate all dihedral angles;<br /> the structure will be rebuilt in CYANA according to the standard geometry obtained from the residue library file. Therefore, conformations<br /> may be significantly changed if the Cartesian coordinates do not imply<br /> exactly the bond lengths, bond angles and chiralities of the standard geometry!<br /> The same applies for Cartesian coordinates where the dihedral<br /> angle of the peptide bonds are not exactly in the or conformation as defined<br /> in the sequence input file.<br /> <br /> # Structures from CYANA<br /> # CYANA 2.2.5, 05-02-2007<br /> # Number of residues: 228 Number of atoms: 3524 Number of subunits: 2<br /> 1 N 1 GLY 1.3249 0.0000 0.0000<br /> 2 H 1 GLY 1.8841 0.0000 0.8290<br /> 3 CA 1 GLY 2.0733 0.0000 -1.2455<br /> 4 HA2 1 GLY 2.8932 -0.7153 -1.1811<br /> 5 HA3 1 GLY 1.4285 -0.3268 -2.0613<br /> 6 C 1 GLY 2.6271 1.3929 -1.5524<br /> 7 O 1 GLY 1.9290 2.2310 -2.1208<br /> 8 N 2 SER 3.8769 1.5969 -1.1627<br /> 9 H 2 SER 4.4379 0.9098 -0.7010<br /> 10 CA 2 SER 4.5325 2.8737 -1.3890<br /> 11 HA 2 SER 3.9082 3.3938 -2.1154<br /> 12 CB 2 SER 4.6028 3.6930 -0.0989<br /> 13 HB2 2 SER 3.5935 3.8758 0.2701<br /> 14 HB3 2 SER 5.1231 3.1186 0.6675<br /> 15 OG 2 SER 5.2692 4.9377 -0.2926<br /> 16 HG 2 SER 4.6367 5.6073 -0.6817<br /> 17 C 2 SER 5.9372 2.6482 -1.9519<br /> 18 O 2 SER 6.9278 2.8061 -1.2400<br /> 19 N 3 SER 5.9783 2.2825 -3.2247<br /> 20 H 3 SER 5.1678 2.1564 -3.7967<br /> 21 CA 3 SER 7.2451 2.0337 -3.8913<br /> 22 HA 3 SER 8.0061 2.1605 -3.1214<br /> 23 CB 3 SER 7.3081 0.6067 -4.4394<br /> 24 HB2 3 SER 6.7702 -0.0634 -3.7685<br /> 25 HB3 3 SER 6.8018 0.5659 -5.4037<br /> 26 OG 3 SER 8.6500 0.1509 -4.5888<br /> 27 HG 3 SER 9.2445 0.6174 -3.9340<br /> 28 C 3 SER 7.4498 3.0455 -5.0206<br /> 29 O 3 SER 6.6651 3.0925 -5.9667<br /> 30 N 4 GLY 8.5084 3.8304 -4.8841<br /> 31 H 4 GLY 9.1417 3.7857 -4.1115<br /> 32 CA 4 GLY 8.8262 4.8385 -5.8811<br /> 33 HA2 4 GLY 8.4668 4.5150 -6.8579<br /> 34 HA3 4 GLY 8.3080 5.7672 -5.6423<br /> 35 C 4 GLY 10.3340 5.0911 -5.9442<br /> 36 O 4 GLY 10.9393 4.9926 -7.0105<br /> 37 N 5 SER 10.8969 5.4118 -4.7885<br /> 38 H 5 SER 10.3973 5.4898 -3.9258<br /> 39 CA 5 SER 12.3223 5.6792 -4.6990<br /> 40 HA 5 SER 12.4915 6.5547 -5.3257<br /> 41 CB 5 SER 12.7339 5.9958 -3.2599<br /> 42 HB2 5 SER 13.6709 6.5529 -3.2651<br /> 43 HB3 5 SER 11.9832 6.6391 -2.8012<br /> 44 OG 5 SER 12.8890 4.8152 -2.4770<br /> 45 HG 5 SER 13.5336 4.9818 -1.7310<br /> 46 C 5 SER 13.1137 4.4805 -5.2260<br /> 47 O 5 SER 12.8231 3.3377 -4.8757<br /> 48 N 6 SER 14.0984 4.7824 -6.0594<br /> 49 H 6 SER 14.3282 5.7145 -6.3393<br /> 50 CA 6 SER 14.9338 3.7439 -6.6382<br /> 51 HA 6 SER 14.5260 2.8044 -6.2656<br /> 52 CB 6 SER 14.8562 3.7624 -8.1661<br /> 53 HB2 6 SER 13.8138 3.8407 -8.4752<br /> 54 HB3 6 SER 15.3681 4.6471 -8.5445<br /> 55 OG 6 SER 15.4355 2.5958 -8.7442<br /> 56 HG 6 SER 15.3124 2.6087 -9.7365<br /> 57 C 6 SER 16.3823 3.9206 -6.1781<br /> 58 O 6 SER 17.3087 3.8246 -6.9816<br /> 59 N 7 GLY 16.5324 4.1758 -4.8867<br /> 60 H 7 GLY 15.7736 4.2522 -4.2400<br /> 61 CA 7 GLY 17.8523 4.3668 -4.3100<br /> 62 HA2 7 GLY 18.5239 3.5841 -4.6628<br /> 63 HA3 7 GLY 18.2660 5.3173 -4.6467<br /> 64 C 7 GLY 17.7915 4.3435 -2.7814<br /> 65 O 7 GLY 17.2518 5.2604 -2.1641<br /> 66 N 8 GLU 18.3525 3.2854 -2.2147<br /> 67 H 8 GLU 18.7894 2.5441 -2.7241<br /> 68 CA 8 GLU 18.3688 3.1307 -0.7700<br /> 69 HA 8 GLU 17.9951 4.0746 -0.3733<br /> 70 CB 8 GLU 17.4389 1.9984 -0.3294<br /> 71 HB2 8 GLU 17.6428 1.7391 0.7096<br /> 72 HB3 8 GLU 16.4031 2.3344 -0.3766<br /> 73 CG 8 GLU 17.6211 0.7635 -1.2141<br /> 74 HG2 8 GLU 16.8687 0.0166 -0.9614<br /> 75 HG3 8 GLU 17.4642 1.0336 -2.2583<br /> 76 CD 8 GLU 19.0190 0.1662 -1.0405<br /> 77 OE1 8 GLU 19.2717 -0.3772 0.0565<br /> 78 OE2 8 GLU 19.8032 0.2663 -2.0088<br /> 79 C 8 GLU 19.7974 2.8897 -0.2781<br /> 80 O 8 GLU 20.0009 2.3312 0.7988<br /> 81 N 9 VAL 20.7500 3.3229 -1.0907<br /> 82 H 9 VAL 20.5759 3.7762 -1.9649<br /> 83 CA 9 VAL 22.1536 3.1613 -0.7516<br /> 84 HA 9 VAL 22.2383 2.2831 -0.1116<br /> 85 CB 9 VAL 22.9720 2.9049 -2.0187<br /> 86 HB 9 VAL 22.8566 3.7692 -2.6727<br /> 87 CG1 9 VAL 24.4591 2.7585 -1.6906<br /> 88 HG11 9 VAL 24.9822 2.3439 -2.5524<br /> 89 HG12 9 VAL 24.8758 3.7362 -1.4486<br /> 90 HG13 9 VAL 24.5790 2.0910 -0.8373<br /> 91 CG2 9 VAL 22.4521 1.6763 -2.7678<br /> 92 HG21 9 VAL 23.1702 1.3881 -3.5356<br /> 93 HG22 9 VAL 22.3198 0.8523 -2.0665<br /> 94 HG23 9 VAL 21.4961 1.9129 -3.2348<br /> 95 C 9 VAL 22.6296 4.3877 0.0295<br /> 96 O 9 VAL 23.1485 4.2596 1.1374<br /> 97 N 10 GLN 22.4360 5.5487 -0.5788<br /> 98 H 10 GLN 22.0133 5.6442 -1.4799<br /> 99 CA 10 GLN 22.8391 6.7972 0.0459<br /> 100 HA 10 GLN 23.9067 6.6930 0.2393<br /> 101 CB 10 GLN 22.6138 7.9802 -0.8978<br /> 102 HB2 10 GLN 21.5534 8.0625 -1.1370<br /> 103 HB3 10 GLN 22.9011 8.9067 -0.4007<br /> 104 CG 10 GLN 23.4215 7.8150 -2.1868<br /> 105 HG2 10 GLN 24.4420 8.1631 -2.0277<br /> 106 HG3 10 GLN 23.4821 6.7588 -2.4492<br /> 107 CD 10 GLN 22.7838 8.5964 -3.3373<br /> 108 OE1 10 GLN 22.6020 9.8013 -3.2779<br /> 109 NE2 10 GLN 22.4555 7.8454 -4.3848<br /> 110 HE21 10 GLN 22.6320 6.8612 -4.3694<br /> 111 HE22 10 GLN 22.0322 8.2650 -5.1878<br /> 112 C 10 GLN 22.0894 6.9973 1.3645<br /> 113 O 10 GLN 22.5140 7.7821 2.2111<br /> 114 N 11 LYS 20.9874 6.2739 1.4975<br /> 115 H 11 LYS 20.6490 5.6379 0.8041<br /> 116 CA 11 LYS 20.1747 6.3621 2.6988<br /> 117 HA 11 LYS 19.7534 7.3667 2.7351<br /> 118 CB 11 LYS 19.0020 5.3822 2.6254<br /> 119 HB2 11 LYS 19.3314 4.4479 2.1711<br /> 120 HB3 11 LYS 18.6597 5.1430 3.6323<br /> 121 CG 11 LYS 17.8458 5.9705 1.8141<br /> 122 HG2 11 LYS 18.2128 6.3116 0.8460<br /> 123 HG3 11 LYS 17.1032 5.1969 1.6189<br /> 124 CD 11 LYS 17.1920 7.1370 2.5576<br /> 125 HD2 11 LYS 16.9005 6.8174 3.5583<br /> 126 HD3 11 LYS 17.9128 7.9456 2.6787<br /> 127 CE 11 LYS 15.9643 7.6495 1.8021<br /> 128 HE2 11 LYS 15.3339 6.8101 1.5086<br /> 129 HE3 11 LYS 15.3662 8.2839 2.4562<br /> 130 NZ 11 LYS 16.3753 8.4123 0.6022<br /> 131 HZ1 11 LYS 15.5840 8.8950 0.2268<br /> 132 HZ2 11 LYS 17.0813 9.0744 0.8538<br /> 133 HZ3 11 LYS 16.7385 7.7827 -0.0847<br /> 134 C 11 LYS 21.0650 6.1649 3.9273<br /> 135 O 11 LYS 22.1548 5.6038 3.8250<br /> 136 N 12 PRO 20.5546 6.6497 5.0909<br /> 137 CD 12 PRO 19.2673 7.3200 5.2498<br /> 138 CA 12 PRO 21.2912 6.5323 6.3377<br /> 139 HA 12 PRO 22.2594 6.7343 6.1892<br /> 140 CB 12 PRO 20.6429 7.5389 7.2740<br /> 141 HB2 12 PRO 20.5439 7.1297 8.2795<br /> 142 HB3 12 PRO 21.2475 8.4422 7.3558<br /> 143 CG 12 PRO 19.2804 7.8479 6.6751<br /> 144 HG2 12 PRO 18.4902 7.3805 7.2627<br /> 145 HG3 12 PRO 19.0931 8.9216 6.6863<br /> 146 HD2 12 PRO 18.4390 6.6295 5.0908<br /> 147 HD3 12 PRO 19.1505 8.1291 4.5289<br /> 148 C 12 PRO 21.2402 5.0995 6.8720<br /> 149 O 12 PRO 20.6221 4.2277 6.2630<br /> 150 N 13 LEU 21.8980 4.9005 8.0047<br /> 151 H 13 LEU 22.3982 5.6151 8.4938<br /> 152 CA 13 LEU 21.9352 3.5885 8.6281<br /> 153 HA 13 LEU 22.0786 2.8542 7.8354<br /> 154 CB 13 LEU 23.1354 3.4769 9.5705<br /> 155 HB2 13 LEU 24.0366 3.3659 8.9675<br /> 156 HB3 13 LEU 23.2312 4.4150 10.1171<br /> 157 CG 13 LEU 23.0886 2.3310 10.5833<br /> 158 HG 13 LEU 22.5188 1.5114 10.1457<br /> 159 CD1 13 LEU 24.4932 1.7997 10.8753<br /> 160 HD11 13 LEU 24.5483 1.4690 11.9125<br /> 161 HD12 13 LEU 24.7088 0.9600 10.2143<br /> 162 HD13 13 LEU 25.2235 2.5912 10.7069<br /> 163 CD2 13 LEU 22.3600 2.7568 11.8596<br /> 164 HD21 13 LEU 22.3659 3.8442 11.9357<br /> 165 HD22 13 LEU 21.3305 2.4005 11.8264<br /> 166 HD23 13 LEU 22.8648 2.3292 12.7259<br /> 167 C 13 LEU 20.5922 3.3131 9.3073<br /> 168 O 13 LEU 20.2728 2.1663 9.6169<br /> 169 N 14 HIS 19.8418 4.3842 9.5191<br /> 170 H 14 HIS 20.1090 5.3135 9.2642<br /> 171 CA 14 HIS 18.5406 4.2724 10.1560<br /> 172 HA 14 HIS 18.5629 3.3621 10.7551<br /> 173 CB 14 HIS 18.2966 5.4486 11.1035<br /> 174 HB2 14 HIS 17.3816 5.2648 11.6665<br /> 175 HB3 14 HIS 19.1115 5.4951 11.8259<br /> 176 CG 14 HIS 18.1829 6.7841 10.4078<br /> 177 ND1 14 HIS 19.1517 7.7672 10.5093<br /> 178 CD2 14 HIS 17.2062 7.2879 9.5998<br /> 179 HD1 14 HIS 19.9998 7.7007 11.0351<br /> 180 CE1 14 HIS 18.7647 8.8115 9.7916<br /> 181 NE2 14 HIS 17.5585 8.5127 9.2292<br /> 182 HD2 14 HIS 16.2915 6.7718 9.3084<br /> 183 HE1 14 HIS 19.3138 9.7454 9.6715<br /> 184 C 14 HIS 17.4553 4.1379 9.0860<br /> 185 O 14 HIS 16.2800 4.3819 9.3544<br /> 186 N 15 GLU 17.8882 3.7500 7.8954<br /> 187 H 15 GLU 18.8459 3.5536 7.6853<br /> 188 CA 15 GLU 16.9683 3.5801 6.7834<br /> 189 HA 15 GLU 15.9909 3.4193 7.2381<br /> 190 CB 15 GLU 16.9170 4.8400 5.9169<br /> 191 HB2 15 GLU 17.8947 5.3221 5.9115<br /> 192 HB3 15 GLU 16.6904 4.5678 4.8860<br /> 193 CG 15 GLU 15.8621 5.8195 6.4353<br /> 194 HG2 15 GLU 15.1102 5.2789 7.0102<br /> 195 HG3 15 GLU 16.3274 6.5355 7.1126<br /> 196 CD 15 GLU 15.1905 6.5642 5.2797<br /> 197 OE1 15 GLU 14.4943 5.8844 4.4950<br /> 198 OE2 15 GLU 15.3885 7.7963 5.2073<br /> 199 C 15 GLU 17.3615 2.3579 5.9513<br /> 200 O 15 GLU 16.9997 2.2576 4.7800<br /> 201 N 16 GLN 18.0972 1.4593 6.5890<br /> 202 H 16 GLN 18.3873 1.5486 7.5418<br /> 203 CA 16 GLN 18.5434 0.2479 5.9222<br /> 204 HA 16 GLN 18.4835 0.4654 4.8558<br /> 205 CB 16 GLN 19.9933 -0.0765 6.2871<br /> 206 HB2 16 GLN 20.0584 -0.3266 7.3461<br /> 207 HB3 16 GLN 20.3244 -0.9540 5.7316<br /> 208 CG 16 GLN 20.9140 1.1061 5.9793<br /> 209 HG2 16 GLN 20.3880 2.0409 6.1728<br /> 210 HG3 16 GLN 21.7771 1.0822 6.6445<br /> 211 CD 16 GLN 21.3839 1.0707 4.5236<br /> 212 OE1 16 GLN 21.7603 0.0398 3.9906<br /> 213 NE2 16 GLN 21.3410 2.2512 3.9124<br /> 214 HE21 16 GLN 21.0213 3.0592 4.4075<br /> 215 HE22 16 GLN 21.6284 2.3308 2.9580<br /> 216 C 16 GLN 17.6168 -0.9198 6.2669<br /> 217 O 16 GLN 16.5685 -0.7249 6.8802<br /> 218 N 17 LEU 18.0370 -2.1078 5.8577<br /> 219 H 17 LEU 18.8910 -2.2577 5.3594<br /> 220 CA 17 LEU 17.2579 -3.3069 6.1156<br /> 221 HA 17 LEU 16.3863 -3.0109 6.6992<br /> 222 CB 17 LEU 16.7429 -3.9035 4.8042<br /> 223 HB2 17 LEU 16.0345 -4.6969 5.0425<br /> 224 HB3 17 LEU 16.1890 -3.1317 4.2698<br /> 225 CG 17 LEU 17.8064 -4.4731 3.8631<br /> 226 HG 17 LEU 18.5476 -4.9998 4.4642<br /> 227 CD1 17 LEU 17.1966 -5.4942 2.9008<br /> 228 HD11 17 LEU 16.3777 -6.0162 3.3958<br /> 229 HD12 17 LEU 16.8183 -4.9799 2.0172<br /> 230 HD13 17 LEU 17.9594 -6.2139 2.6033<br /> 231 CD2 17 LEU 18.5391 -3.3531 3.1218<br /> 232 HD21 17 LEU 17.9032 -2.4687 3.0796<br /> 233 HD22 17 LEU 19.4623 -3.1119 3.6486<br /> 234 HD23 17 LEU 18.7736 -3.6807 2.1090<br /> 235 C 17 LEU 18.0915 -4.2820 6.9494<br /> 236 O 17 LEU 17.6264 -5.3689 7.2889<br /> 237 N 18 TRP 19.3090 -3.8582 7.2552<br /> 238 H 18 TRP 19.6797 -2.9727 6.9751<br /> 239 CA 18 TRP 20.2118 -4.6803 8.0428<br /> 240 HA 18 TRP 19.7064 -5.6229 8.2529<br /> 241 CB 18 TRP 21.4761 -5.0195 7.2510<br /> 242 HB2 18 TRP 22.2472 -5.3562 7.9440<br /> 243 HB3 18 TRP 21.2614 -5.8538 6.5831<br /> 244 CG 18 TRP 22.0257 -3.8535 6.4267<br /> 245 CD1 18 TRP 21.9834 -3.6907 5.0973<br /> 246 CD2 18 TRP 22.7060 -2.6866 6.9350<br /> 247 CE3 18 TRP 23.0303 -2.3251 8.2545<br /> 248 CE2 18 TRP 23.0376 -1.8792 5.8662<br /> 249 NE1 18 TRP 22.5844 -2.5093 4.7130<br /> 250 HD1 18 TRP 21.5314 -4.4022 4.4062<br /> 251 HE3 18 TRP 22.7796 -2.9450 9.1152<br /> 252 CZ3 18 TRP 23.7028 -1.1033 8.3777<br /> 253 CZ2 18 TRP 23.7105 -0.6596 6.0064<br /> 254 HE1 18 TRP 22.6849 -2.1385 3.6930<br /> 255 HZ3 18 TRP 23.9781 -0.7754 9.3801<br /> 256 CH2 18 TRP 24.0439 -0.2791 7.3118<br /> 257 HZ2 18 TRP 23.9613 -0.0397 5.1456<br /> 258 HH2 18 TRP 24.5686 0.6592 7.4914<br /> 259 C 18 TRP 20.5053 -3.9414 9.3501<br /> 260 O 18 TRP 21.3144 -4.3971 10.1567<br /> 261 N 19 TYR 19.8316 -2.8132 9.5189<br /> 262 H 19 TYR 19.1752 -2.4496 8.8579<br /> 263 CA 19 TYR 20.0099 -2.0067 10.7144<br /> 264 HA 19 TYR 21.0184 -2.1799 11.0896<br /> 265 CB 19 TYR 19.7493 -0.5601 10.2899<br /> 266 HB2 19 TYR 20.5379 -0.2450 9.6066<br /> 267 HB3 19 TYR 18.8117 -0.5182 9.7356<br /> 268 CG 19 TYR 19.6801 0.4277 11.4562<br /> 269 CD1 19 TYR 18.5646 1.2235 11.6213<br /> 270 HD1 19 TYR 17.7329 1.1481 10.9207<br /> 271 CE1 19 TYR 18.4994 2.1533 12.7190<br /> 272 HE1 19 TYR 17.6245 2.7875 12.8609<br /> 273 CZ 19 TYR 19.5543 2.2220 13.5746<br /> 274 CE2 19 TYR 20.6680 1.4528 13.4408<br /> 275 HE2 19 TYR 21.4925 1.5382 14.1485<br /> 276 CD2 19 TYR 20.7331 0.5231 12.3431<br /> 277 HD2 19 TYR 21.6140 -0.1055 12.2127<br /> 278 OH 19 TYR 19.4928 3.1001 14.6113<br /> 279 HH 19 TYR 18.9389 3.8925 14.3558<br /> 280 C 19 TYR 19.0005 -2.3982 11.7955<br /> 281 O 19 TYR 17.9375 -1.7894 11.9071<br /> 282 N 20 HIS 19.3687 -3.4123 12.5646<br /> 283 H 20 HIS 20.2351 -3.9021 12.4672<br /> 284 CA 20 HIS 18.5087 -3.8922 13.6329<br /> 285 HA 20 HIS 17.5706 -4.1945 13.1673<br /> 286 CB 20 HIS 19.1145 -5.1257 14.3053<br /> 287 HB2 20 HIS 20.1055 -4.8719 14.6817<br /> 288 HB3 20 HIS 18.5046 -5.3929 15.1683<br /> 289 CG 20 HIS 19.2292 -6.3264 13.3967<br /> 290 ND1 20 HIS 18.2366 -7.2851 13.2924<br /> 291 CD2 20 HIS 20.2281 -6.7126 12.5519<br /> 292 HD1 20 HIS 17.3689 -7.2853 13.7895<br /> 293 CE1 20 HIS 18.6313 -8.2028 12.4221<br /> 294 NE2 20 HIS 19.8659 -7.8465 11.9647<br /> 295 HD2 20 HIS 21.1648 -6.1802 12.3874<br /> 296 HE1 20 HIS 18.0682 -9.0872 12.1237<br /> 297 C 20 HIS 18.2318 -2.7553 14.6187<br /> 298 O 20 HIS 17.0947 -2.5628 15.0465<br /> 299 N 21 GLY 19.2909 -2.0318 14.9505<br /> 300 H 21 GLY 20.2124 -2.1950 14.5980<br /> 301 CA 21 GLY 19.1764 -0.9190 15.8779<br /> 302 HA2 21 GLY 19.6106 -0.0239 15.4327<br /> 303 HA3 21 GLY 18.1245 -0.7039 16.0651<br /> 304 C 21 GLY 19.8817 -1.2317 17.1992<br /> 305 O 21 GLY 20.8003 -2.0488 17.2384<br /> 306 N 22 ALA 19.4251 -0.5649 18.2491<br /> 307 H 22 ALA 18.6775 0.0980 18.2086<br /> 308 CA 22 ALA 20.0008 -0.7613 19.5687<br /> 309 HA 22 ALA 21.0845 -0.7945 19.4564<br /> 310 CB 22 ALA 19.6345 0.4219 20.4669<br /> 311 HB1 22 ALA 20.0847 0.2846 21.4501<br /> 312 HB2 22 ALA 20.0072 1.3446 20.0222<br /> 313 HB3 22 ALA 18.5508 0.4792 20.5683<br /> 314 C 22 ALA 19.5175 -2.0968 20.1376<br /> 315 O 22 ALA 18.5296 -2.1429 20.8690<br /> 316 N 23 ILE 20.2364 -3.1507 19.7800<br /> 317 H 23 ILE 21.0385 -3.1046 19.1847<br /> 318 CA 23 ILE 19.8932 -4.4837 20.2458<br /> 319 HA 23 ILE 18.9571 -4.4056 20.7986<br /> 320 CB 23 ILE 19.6417 -5.4173 19.0600<br /> 321 HB 23 ILE 19.6637 -6.4446 19.4236<br /> 322 CG2 23 ILE 18.2544 -5.1800 18.4600<br /> 323 HG21 23 ILE 18.1066 -5.8481 17.6114<br /> 324 HG22 23 ILE 17.4933 -5.3777 19.2149<br /> 325 HG23 23 ILE 18.1751 -4.1455 18.1261<br /> 326 CG1 23 ILE 20.7495 -5.2845 18.0131<br /> 327 HG12 23 ILE 20.6331 -4.3452 17.4725<br /> 328 HG13 23 ILE 21.7201 -5.2493 18.5079<br /> 329 CD1 23 ILE 20.7155 -6.4542 17.0274<br /> 330 HD11 23 ILE 21.6485 -7.0134 17.0949<br /> 331 HD12 23 ILE 19.8801 -7.1105 17.2712<br /> 332 HD13 23 ILE 20.5934 -6.0719 16.0139<br /> 333 C 23 ILE 20.9803 -4.9812 21.2005<br /> 334 O 23 ILE 22.1232 -4.5317 21.1339<br /> 335 N 24 PRO 20.5752 -5.9271 22.0899<br /> 336 CD 24 PRO 19.2296 -6.4831 22.1978<br /> 337 CA 24 PRO 21.5016 -6.4905 23.0570<br /> 338 HA 24 PRO 22.0787 -5.7716 23.4446<br /> 339 CB 24 PRO 20.6216 -7.1377 24.1139<br /> 340 HB2 24 PRO 21.0334 -8.0956 24.4319<br /> 341 HB3 24 PRO 20.5523 -6.5100 25.0023<br /> 342 CG 24 PRO 19.2580 -7.3187 23.4672<br /> 343 HG2 24 PRO 19.0812 -8.3693 23.2368<br /> 344 HG3 24 PRO 18.4675 -7.0046 24.1488<br /> 345 HD2 24 PRO 18.9818 -7.0920 21.3283<br /> 346 HD3 24 PRO 18.4792 -5.6950 22.2592<br /> 347 C 24 PRO 22.4584 -7.4796 22.3881<br /> 348 O 24 PRO 22.0994 -8.1296 21.4075<br /> 349 N 25 ARG 23.6576 -7.5624 22.9452<br /> 350 H 25 ARG 23.9417 -7.0302 23.7427<br /> 351 CA 25 ARG 24.6687 -8.4613 22.4151<br /> 352 HA 25 ARG 24.8506 -8.1084 21.4000<br /> 353 CB 25 ARG 25.9554 -8.3908 23.2399<br /> 354 HB2 25 ARG 26.6805 -9.1056 22.8510<br /> 355 HB3 25 ARG 26.4003 -7.4005 23.1426<br /> 356 CG 25 ARG 25.6781 -8.6887 24.7149<br /> 357 HG2 25 ARG 25.3254 -7.7850 25.2119<br /> 358 HG3 25 ARG 24.8821 -9.4288 24.7967<br /> 359 CD 25 ARG 26.9363 -9.2051 25.4158<br /> 360 HD2 25 ARG 26.6591 -9.8195 26.2723<br /> 361 HD3 25 ARG 27.5051 -9.8413 24.7378<br /> 362 NE 25 ARG 27.7714 -8.0669 25.8600<br /> 363 HE 25 ARG 28.6207 -7.8868 25.3636<br /> 364 CZ 25 ARG 27.4608 -7.2625 26.8856<br /> 365 NH1 25 ARG 28.2785 -6.2540 27.2178<br /> 366 HH11 25 ARG 28.0466 -5.6536 27.9831<br /> 367 HH12 25 ARG 29.1205 -6.1018 26.7002<br /> 368 NH2 25 ARG 26.3326 -7.4663 27.5792<br /> 369 HH21 25 ARG 26.1008 -6.8658 28.3446<br /> 370 HH22 25 ARG 25.7223 -8.2188 27.3313<br /> 371 C 25 ARG 24.1506 -9.9009 22.4130<br /> 372 O 25 ARG 24.5877 -10.7205 21.6067<br /> 373 N 26 ALA 23.2262 -10.1646 23.3248<br /> 374 H 26 ALA 22.8762 -9.4923 23.9770<br /> 375 CA 26 ALA 22.6439 -11.4911 23.4383<br /> 376 HA 26 ALA 23.4593 -12.2142 23.4195<br /> 377 CB 26 ALA 21.9077 -11.6130 24.7739<br /> 378 HB1 26 ALA 22.1504 -12.5698 25.2366<br /> 379 HB2 26 ALA 22.2155 -10.8019 25.4338<br /> 380 HB3 26 ALA 20.8329 -11.5545 24.6030<br /> 381 C 26 ALA 21.7256 -11.7443 22.2411<br /> 382 O 26 ALA 21.4924 -12.8919 21.8648<br /> 383 N 27 GLU 21.2290 -10.6537 21.6758<br /> 384 H 27 GLU 21.4237 -9.7239 21.9880<br /> 385 CA 27 GLU 20.3413 -10.7432 20.5289<br /> 386 HA 27 GLU 19.7848 -11.6705 20.6649<br /> 387 CB 27 GLU 19.3605 -9.5693 20.5019<br /> 388 HB2 27 GLU 19.8375 -8.6825 20.9196<br /> 389 HB3 27 GLU 19.0978 -9.3337 19.4705<br /> 390 CG 27 GLU 18.0934 -9.8950 21.2951<br /> 391 HG2 27 GLU 17.6415 -10.8076 20.9065<br /> 392 HG3 27 GLU 18.3512 -10.0853 22.3368<br /> 393 CD 27 GLU 17.0859 -8.7463 21.2148<br /> 394 OE1 27 GLU 16.7321 -8.2254 22.2946<br /> 395 OE2 27 GLU 16.6924 -8.4151 20.0755<br /> 396 C 27 GLU 21.1528 -10.8096 19.2335<br /> 397 O 27 GLU 20.6850 -11.3470 18.2308<br /> 398 N 28 VAL 22.3547 -10.2558 19.2966<br /> 399 H 28 VAL 22.7276 -9.8208 20.1161<br /> 400 CA 28 VAL 23.2356 -10.2455 18.1410<br /> 401 HA 28 VAL 22.7652 -9.6297 17.3745<br /> 402 CB 28 VAL 24.5745 -9.6031 18.5093<br /> 403 HB 28 VAL 25.0226 -10.1961 19.3066<br /> 404 CG1 28 VAL 25.5344 -9.6151 17.3181<br /> 405 HG11 28 VAL 24.9695 -9.4847 16.3950<br /> 406 HG12 28 VAL 26.2529 -8.8020 17.4222<br /> 407 HG13 28 VAL 26.0646 -10.5669 17.2881<br /> 408 CG2 28 VAL 24.3735 -8.1813 19.0375<br /> 409 HG21 28 VAL 25.3436 -7.7330 19.2522<br /> 410 HG22 28 VAL 23.8557 -7.5846 18.2864<br /> 411 HG23 28 VAL 23.7781 -8.2133 19.9499<br /> 412 C 28 VAL 23.3837 -11.6710 17.6053<br /> 413 O 28 VAL 23.3186 -11.8939 16.3974<br /> 414 N 29 ALA 23.5801 -12.5991 18.5302<br /> 415 H 29 ALA 23.6318 -12.4094 19.5106<br /> 416 CA 29 ALA 23.7380 -13.9969 18.1660<br /> 417 HA 29 ALA 24.4161 -14.0433 17.3139<br /> 418 CB 29 ALA 24.3624 -14.7617 19.3348<br /> 419 HB1 29 ALA 24.2953 -14.1590 20.2407<br /> 420 HB2 29 ALA 23.8276 -15.6999 19.4822<br /> 421 HB3 29 ALA 25.4092 -14.9708 19.1144<br /> 422 C 29 ALA 22.3800 -14.5687 17.7542<br /> 423 O 29 ALA 22.3139 -15.5502 17.0158<br /> 424 N 30 GLU 21.3301 -13.9302 18.2496<br /> 425 H 30 GLU 21.3926 -13.1326 18.8495<br /> 426 CA 30 GLU 19.9775 -14.3630 17.9423<br /> 427 HA 30 GLU 19.9643 -15.4348 18.1399<br /> 428 CB 30 GLU 18.9606 -13.6726 18.8535<br /> 429 HB2 30 GLU 18.9742 -12.5980 18.6712<br /> 430 HB3 30 GLU 17.9565 -14.0235 18.6155<br /> 431 CG 30 GLU 19.2677 -13.9494 20.3266<br /> 432 HG2 30 GLU 20.3460 -13.9371 20.4855<br /> 433 HG3 30 GLU 18.8452 -13.1574 20.9448<br /> 434 CD 30 GLU 18.6982 -15.3015 20.7607<br /> 435 OE1 30 GLU 17.8507 -15.8284 20.0079<br /> 436 OE2 30 GLU 19.1232 -15.7777 21.8355<br /> 437 C 30 GLU 19.6587 -14.1026 16.4687<br /> 438 O 30 GLU 18.8325 -14.7955 15.8769<br /> 439 N 31 LEU 20.3308 -13.1020 15.9187<br /> 440 H 31 LEU 21.0011 -12.5434 16.4071<br /> 441 CA 31 LEU 20.1294 -12.7416 14.5255<br /> 442 HA 31 LEU 19.0848 -12.9387 14.2848<br /> 443 CB 31 LEU 20.3663 -11.2441 14.3199<br /> 444 HB2 31 LEU 21.4403 -11.0595 14.3442<br /> 445 HB3 31 LEU 20.0192 -10.9753 13.3222<br /> 446 CG 31 LEU 19.6940 -10.3136 15.3315<br /> 447 HG 31 LEU 19.8132 -10.7458 16.3249<br /> 448 CD1 31 LEU 20.3728 -8.9426 15.3508<br /> 449 HD11 31 LEU 21.2028 -8.9580 16.0573<br /> 450 HD12 31 LEU 20.7482 -8.7090 14.3543<br /> 451 HD13 31 LEU 19.6513 -8.1841 15.6542<br /> 452 CD2 31 LEU 18.1916 -10.2055 15.0629<br /> 453 HD21 31 LEU 18.0034 -10.3289 13.9964<br /> 454 HD22 31 LEU 17.6666 -10.9837 15.6170<br /> 455 HD23 31 LEU 17.8347 -9.2270 15.3842<br /> 456 C 31 LEU 21.0069 -13.6301 13.6415<br /> 457 O 31 LEU 20.5895 -14.0410 12.5598<br /> 458 N 32 LEU 22.2064 -13.9004 14.1347<br /> 459 H 32 LEU 22.5382 -13.5622 15.0154<br /> 460 CA 32 LEU 23.1463 -14.7327 13.4031<br /> 461 HA 32 LEU 23.0138 -14.5201 12.3423<br /> 462 CB 32 LEU 24.5857 -14.3590 13.7630<br /> 463 HB2 32 LEU 24.6322 -14.1632 14.8343<br /> 464 HB3 32 LEU 25.2233 -15.2215 13.5686<br /> 465 CG 32 LEU 25.1695 -13.1518 13.0262<br /> 466 HG 32 LEU 25.1196 -13.3484 11.9553<br /> 467 CD1 32 LEU 24.3416 -11.8934 13.2937<br /> 468 HD11 32 LEU 23.6452 -11.7348 12.4702<br /> 469 HD12 32 LEU 23.7842 -12.0157 14.2225<br /> 470 HD13 32 LEU 25.0054 -11.0330 13.3791<br /> 471 CD2 32 LEU 26.6445 -12.9536 13.3810<br /> 472 HD21 32 LEU 26.7294 -12.6471 14.4236<br /> 473 HD22 32 LEU 27.1829 -13.8897 13.2325<br /> 474 HD23 32 LEU 27.0720 -12.1828 12.7397<br /> 475 C 32 LEU 22.8139 -16.2060 13.6477<br /> 476 O 32 LEU 22.6312 -16.6234 14.7902<br /> 477 N 33 VAL 22.7457 -16.9533 12.5558<br /> 478 H 33 VAL 22.8957 -16.6060 11.6302<br /> 479 CA 33 VAL 22.4385 -18.3712 12.6374<br /> 480 HA 33 VAL 22.5335 -18.6687 13.6816<br /> 481 CB 33 VAL 20.9923 -18.6191 12.2038<br /> 482 HB 33 VAL 20.9262 -18.4284 11.1326<br /> 483 CG1 33 VAL 20.5885 -20.0744 12.4481<br /> 484 HG11 33 VAL 19.9326 -20.4093 11.6444<br /> 485 HG12 33 VAL 21.4808 -20.6998 12.4731<br /> 486 HG13 33 VAL 20.0642 -20.1510 13.4006<br /> 487 CG2 33 VAL 20.0352 -17.6581 12.9119<br /> 488 HG21 33 VAL 20.4764 -17.3353 13.8549<br /> 489 HG22 33 VAL 19.8576 -16.7894 12.2777<br /> 490 HG23 33 VAL 19.0902 -18.1646 13.1073<br /> 491 C 33 VAL 23.4548 -19.1574 11.8067<br /> 492 O 33 VAL 24.0258 -20.1372 12.2829<br /> 493 N 34 HIS 23.6495 -18.6983 10.5792<br /> 494 H 34 HIS 23.1810 -17.9006 10.1996<br /> 495 CA 34 HIS 24.5870 -19.3464 9.6778<br /> 496 HA 34 HIS 24.9114 -20.2631 10.1702<br /> 497 CB 34 HIS 23.8992 -19.7382 8.3686<br /> 498 HB2 34 HIS 23.7460 -18.8416 7.7680<br /> 499 HB3 34 HIS 24.5632 -20.3915 7.8026<br /> 500 CG 34 HIS 22.5719 -20.4337 8.5563<br /> 501 ND1 34 HIS 21.4697 -20.1727 7.7612<br /> 502 CD2 34 HIS 22.1825 -21.3831 9.4549<br /> 503 HD1 34 HIS 21.4355 -19.5193 7.0049<br /> 504 CE1 34 HIS 20.4674 -20.9354 8.1723<br /> 505 NE2 34 HIS 20.9110 -21.6844 9.2224<br /> 506 HD2 34 HIS 22.8095 -21.8198 10.2322<br /> 507 HE1 34 HIS 19.4644 -20.9602 7.7461<br /> 508 C 34 HIS 25.8010 -18.4406 9.4619<br /> 509 O 34 HIS 25.6950 -17.2194 9.5639<br /> 510 N 35 SER 26.9267 -19.0741 9.1674<br /> 511 H 35 SER 27.0044 -20.0678 9.0863<br /> 512 CA 35 SER 28.1597 -18.3409 8.9362<br /> 513 HA 35 SER 28.3288 -17.7664 9.8468<br /> 514 CB 35 SER 29.3340 -19.2953 8.7107<br /> 515 HB2 35 SER 30.2645 -18.7277 8.6945<br /> 516 HB3 35 SER 29.4004 -19.9923 9.5459<br /> 517 OG 35 SER 29.2028 -20.0249 7.4936<br /> 518 HG 35 SER 29.8024 -20.8250 7.5082<br /> 519 C 35 SER 27.9960 -17.4075 7.7349<br /> 520 O 35 SER 27.3726 -17.7740 6.7399<br /> 521 N 36 GLY 28.5667 -16.2192 7.8673<br /> 522 H 36 GLY 29.0720 -15.9290 8.6800<br /> 523 CA 36 GLY 28.4920 -15.2305 6.8052<br /> 524 HA2 36 GLY 29.4451 -14.7084 6.7218<br /> 525 HA3 36 GLY 28.3169 -15.7286 5.8516<br /> 526 C 36 GLY 27.3732 -14.2216 7.0729<br /> 527 O 36 GLY 27.2090 -13.2586 6.3255<br /> 528 N 37 ASP 26.6326 -14.4772 8.1413<br /> 529 H 37 ASP 26.7728 -15.2628 8.7440<br /> 530 CA 37 ASP 25.5341 -13.6034 8.5170<br /> 531 HA 37 ASP 25.1858 -13.1634 7.5826<br /> 532 CB 37 ASP 24.4118 -14.3906 9.1964<br /> 533 HB2 37 ASP 24.7413 -14.6748 10.1958<br /> 534 HB3 37 ASP 23.5507 -13.7337 9.3196<br /> 535 CG 37 ASP 23.9635 -15.6502 8.4526<br /> 536 OD1 37 ASP 23.3601 -16.5184 9.1193<br /> 537 OD2 37 ASP 24.2344 -15.7165 7.2341<br /> 538 C 37 ASP 26.0400 -12.5519 9.5065<br /> 539 O 37 ASP 26.3813 -12.8768 10.6427<br /> 540 N 38 PHE 26.0725 -11.3127 9.0387<br /> 541 H 38 PHE 25.7932 -11.0568 8.1133<br /> 542 CA 38 PHE 26.5310 -10.2114 9.8683<br /> 543 HA 38 PHE 26.8792 -10.6381 10.8089<br /> 544 CB 38 PHE 27.6333 -9.4925 9.0880<br /> 545 HB2 38 PHE 28.2101 -8.8764 9.7778<br /> 546 HB3 38 PHE 28.3167 -10.2353 8.6765<br /> 547 CG 38 PHE 27.1161 -8.6107 7.9496<br /> 548 CD1 38 PHE 26.8060 -9.1651 6.7470<br /> 549 HD1 38 PHE 26.9260 -10.2377 6.5943<br /> 550 CE1 38 PHE 26.3260 -8.3468 5.6906<br /> 551 HE1 38 PHE 26.0776 -8.7911 4.7268<br /> 552 CZ 38 PHE 26.1764 -7.0085 5.8812<br /> 553 HZ 38 PHE 25.8080 -6.3803 5.0702<br /> 554 CE2 38 PHE 26.4864 -6.4541 7.0837<br /> 555 HE2 38 PHE 26.3665 -5.3815 7.2365<br /> 556 CD2 38 PHE 26.9664 -7.2725 8.1403<br /> 557 HD2 38 PHE 27.2150 -6.8282 9.1040<br /> 558 C 38 PHE 25.3948 -9.2256 10.1481<br /> 559 O 38 PHE 24.3318 -9.3078 9.5347<br /> 560 N 39 LEU 25.6581 -8.3161 11.0748<br /> 561 H 39 LEU 26.5253 -8.2562 11.5691<br /> 562 CA 39 LEU 24.6709 -7.3157 11.4434<br /> 563 HA 39 LEU 24.2727 -6.8941 10.5205<br /> 564 CB 39 LEU 23.5012 -7.9652 12.1856<br /> 565 HB2 39 LEU 22.6471 -7.2895 12.1393<br /> 566 HB3 39 LEU 23.2184 -8.8733 11.6533<br /> 567 CG 39 LEU 23.7533 -8.3240 13.6515<br /> 568 HG 39 LEU 22.9872 -9.0326 13.9663<br /> 569 CD1 39 LEU 25.1068 -9.0166 13.8214<br /> 570 HD11 39 LEU 25.1258 -9.5486 14.7726<br /> 571 HD12 39 LEU 25.2576 -9.7245 13.0062<br /> 572 HD13 39 LEU 25.9013 -8.2705 13.8062<br /> 573 CD2 39 LEU 23.6239 -7.0909 14.5479<br /> 574 HD21 39 LEU 24.6128 -6.6720 14.7346<br /> 575 HD22 39 LEU 23.0011 -6.3456 14.0530<br /> 576 HD23 39 LEU 23.1656 -7.3766 15.4948<br /> 577 C 39 LEU 25.3546 -6.1971 12.2321<br /> 578 O 39 LEU 26.4950 -6.3475 12.6679<br /> 579 N 40 VAL 24.6289 -5.1001 12.3917<br /> 580 H 40 VAL 23.7021 -4.9859 12.0340<br /> 581 CA 40 VAL 25.1513 -3.9566 13.1203<br /> 582 HA 40 VAL 26.1331 -4.2323 13.5049<br /> 583 CB 40 VAL 25.3300 -2.7691 12.1721<br /> 584 HB 40 VAL 24.3566 -2.5349 11.7413<br /> 585 CG1 40 VAL 25.8195 -1.5325 12.9284<br /> 586 HG11 40 VAL 26.3872 -1.8440 13.8052<br /> 587 HG12 40 VAL 26.4571 -0.9362 12.2758<br /> 588 HG13 40 VAL 24.9629 -0.9364 13.2432<br /> 589 CG2 40 VAL 26.2789 -3.1217 11.0249<br /> 590 HG21 40 VAL 26.7045 -2.2073 10.6114<br /> 591 HG22 40 VAL 27.0805 -3.7585 11.3992<br /> 592 HG23 40 VAL 25.7281 -3.6503 10.2470<br /> 593 C 40 VAL 24.2294 -3.6453 14.3010<br /> 594 O 40 VAL 23.0101 -3.5982 14.1457<br /> 595 N 41 ARG 24.8473 -3.4408 15.4551<br /> 596 H 41 ARG 25.8395 -3.4810 15.5729<br /> 597 CA 41 ARG 24.0975 -3.1353 16.6616<br /> 598 HA 41 ARG 23.1442 -2.7445 16.3058<br /> 599 CB 41 ARG 23.8742 -4.3926 17.5045<br /> 600 HB2 41 ARG 23.5353 -4.1109 18.5014<br /> 601 HB3 41 ARG 23.0852 -4.9982 17.0588<br /> 602 CG 41 ARG 25.1590 -5.2167 17.6106<br /> 603 HG2 41 ARG 25.0483 -6.1435 17.0477<br /> 604 HG3 41 ARG 25.9859 -4.6674 17.1607<br /> 605 CD 41 ARG 25.4863 -5.5364 19.0707<br /> 606 HD2 41 ARG 25.2411 -4.6826 19.7022<br /> 607 HD3 41 ARG 24.8768 -6.3723 19.4139<br /> 608 NE 41 ARG 26.9219 -5.8691 19.2064<br /> 609 HE 41 ARG 27.4178 -6.1499 18.3846<br /> 610 CZ 41 ARG 27.5991 -5.8174 20.3615<br /> 611 NH1 41 ARG 28.9002 -6.1370 20.3903<br /> 612 HH11 41 ARG 29.4056 -6.0984 21.2523<br /> 613 HH12 41 ARG 29.3658 -6.4140 19.5497<br /> 614 NH2 41 ARG 26.9753 -5.4463 21.4878<br /> 615 HH21 41 ARG 27.4808 -5.4077 22.3499<br /> 616 HH22 41 ARG 26.0044 -5.2078 21.4663<br /> 617 C 41 ARG 24.8414 -2.0935 17.4994<br /> 618 O 41 ARG 26.0241 -2.2584 17.7944<br /> 619 N 42 GLU 24.1177 -1.0436 17.8592<br /> 620 H 42 GLU 23.1562 -0.9171 17.6151<br /> 621 CA 42 GLU 24.6944 0.0250 18.6572<br /> 622 HA 42 GLU 25.5053 0.4322 18.0533<br /> 623 CB 42 GLU 23.6662 1.1260 18.9242<br /> 624 HB2 42 GLU 23.2873 1.5120 17.9777<br /> 625 HB3 42 GLU 22.8145 0.7106 19.4627<br /> 626 CG 42 GLU 24.2828 2.2669 19.7361<br /> 627 HG2 42 GLU 24.5891 1.8973 20.7147<br /> 628 HG3 42 GLU 25.1813 2.6291 19.2366<br /> 629 CD 42 GLU 23.2888 3.4174 19.9076<br /> 630 OE1 42 GLU 23.5742 4.5011 19.3539<br /> 631 OE2 42 GLU 22.2661 3.1870 20.5884<br /> 632 C 42 GLU 25.2527 -0.5333 19.9678<br /> 633 O 42 GLU 24.5317 -1.1750 20.7303<br /> 634 N 43 SER 26.5318 -0.2686 20.1894<br /> 635 H 43 SER 27.1112 0.2540 19.5640<br /> 636 CA 43 SER 27.1950 -0.7366 21.3946<br /> 637 HA 43 SER 27.1496 -1.8244 21.3451<br /> 638 CB 43 SER 28.6577 -0.2890 21.4274<br /> 639 HB2 43 SER 29.1982 -0.7554 20.6037<br /> 640 HB3 43 SER 28.7106 0.7887 21.2736<br /> 641 OG 43 SER 29.2908 -0.6238 22.6594<br /> 642 HG 43 SER 29.6795 -1.5435 22.6054<br /> 643 C 43 SER 26.4551 -0.2239 22.6317<br /> 644 O 43 SER 26.0747 0.9443 22.6922<br /> 645 N 44 GLN 26.2732 -1.1228 23.5879<br /> 646 H 44 GLN 26.5857 -2.0709 23.5307<br /> 647 CA 44 GLN 25.5856 -0.7761 24.8201<br /> 648 HA 44 GLN 24.6222 -0.3712 24.5102<br /> 649 CB 44 GLN 25.3533 -2.0159 25.6859<br /> 650 HB2 44 GLN 25.0128 -2.8416 25.0611<br /> 651 HB3 44 GLN 26.2935 -2.3275 26.1410<br /> 652 CG 44 GLN 24.3195 -1.7358 26.7785<br /> 653 HG2 44 GLN 24.5631 -0.8012 27.2836<br /> 654 HG3 44 GLN 23.3351 -1.6079 26.3284<br /> 655 CD 44 GLN 24.2762 -2.8763 27.7975<br /> 656 OE1 44 GLN 25.2447 -3.5855 28.0156<br /> 657 NE2 44 GLN 23.1021 -3.0126 28.4074<br /> 658 HE21 44 GLN 22.3472 -2.3967 28.1820<br /> 659 HE22 44 GLN 22.9743 -3.7310 29.0912<br /> 660 C 44 GLN 26.3738 0.2881 25.5864<br /> 661 O 44 GLN 27.4517 0.0103 26.1098<br /> 662 N 45 GLY 25.8054 1.4841 25.6282<br /> 663 H 45 GLY 24.9284 1.7018 25.1999<br /> 664 CA 45 GLY 26.4415 2.5912 26.3219<br /> 665 HA2 45 GLY 25.6825 3.2065 26.8049<br /> 666 HA3 45 GLY 27.0893 2.2071 27.1098<br /> 667 C 45 GLY 27.2597 3.4476 25.3533<br /> 668 O 45 GLY 27.0477 4.6553 25.2559<br /> 669 N 46 LYS 28.1776 2.7886 24.6615<br /> 670 H 46 LYS 28.3437 1.8062 24.7467<br /> 671 CA 46 LYS 29.0287 3.4744 23.7041<br /> 672 HA 46 LYS 29.2155 4.4759 24.0917<br /> 673 CB 46 LYS 30.3836 2.7725 23.5926<br /> 674 HB2 46 LYS 30.8722 2.7593 24.5668<br /> 675 HB3 46 LYS 30.2359 1.7340 23.2966<br /> 676 CG 46 LYS 31.2832 3.4758 22.5742<br /> 677 HG2 46 LYS 32.2055 2.9092 22.4459<br /> 678 HG3 46 LYS 30.7880 3.5027 21.6036<br /> 679 CD 46 LYS 31.6120 4.9005 23.0248<br /> 680 HD2 46 LYS 32.1827 5.4090 22.2476<br /> 681 HD3 46 LYS 30.6894 5.4642 23.1630<br /> 682 CE 46 LYS 32.4114 4.8922 24.3293<br /> 683 HE2 46 LYS 31.7354 4.7743 25.1762<br /> 684 HE3 46 LYS 33.0896 4.0390 24.3416<br /> 685 NZ 46 LYS 33.1819 6.1477 24.4730<br /> 686 HZ1 46 LYS 32.6156 6.8363 24.9260<br /> 687 HZ2 46 LYS 34.0002 5.9756 25.0215<br /> 688 HZ3 46 LYS 33.4505 6.4793 23.5686<br /> 689 C 46 LYS 28.2898 3.6006 22.3703<br /> 690 O 46 LYS 27.4854 2.7392 22.0183<br /> 691 N 47 GLN 28.5892 4.6811 21.6644<br /> 692 H 47 GLN 29.2446 5.3769 21.9579<br /> 693 CA 47 GLN 27.9634 4.9311 20.3770<br /> 694 HA 47 GLN 26.9816 4.4614 20.4360<br /> 695 CB 47 GLN 27.7876 6.4315 20.1351<br /> 696 HB2 47 GLN 27.3522 6.5961 19.1494<br /> 697 HB3 47 GLN 27.0892 6.8419 20.8644<br /> 698 CG 47 GLN 29.1272 7.1639 20.2355<br /> 699 HG2 47 GLN 29.3705 7.3423 21.2829<br /> 700 HG3 47 GLN 29.9197 6.5373 19.8264<br /> 701 CD 47 GLN 29.0821 8.4952 19.4829<br /> 702 OE1 47 GLN 29.0572 8.5483 18.2642<br /> 703 NE2 47 GLN 29.0728 9.5641 20.2743<br /> 704 HE21 47 GLN 29.0946 9.4509 21.2677<br /> 705 HE22 47 GLN 29.0440 10.4808 19.8759<br /> 706 C 47 GLN 28.7808 4.2870 19.2555<br /> 707 O 47 GLN 29.0990 4.9383 18.2617<br /> 708 N 48 GLU 29.0973 3.0156 19.4524<br /> 709 H 48 GLU 28.8346 2.4931 20.2635<br /> 710 CA 48 GLU 29.8715 2.2762 18.4699<br /> 711 HA 48 GLU 30.0094 2.9621 17.6340<br /> 712 CB 48 GLU 31.2409 1.8875 19.0306<br /> 713 HB2 48 GLU 31.6538 2.7195 19.6012<br /> 714 HB3 48 GLU 31.1312 1.0511 19.7210<br /> 715 CG 48 GLU 32.2053 1.5047 17.9062<br /> 716 HG2 48 GLU 33.0832 1.0141 18.3266<br /> 717 HG3 48 GLU 31.7266 0.7864 17.2407<br /> 718 CD 48 GLU 32.6359 2.7380 17.1096<br /> 719 OE1 48 GLU 31.8517 3.1446 16.2252<br /> 720 OE2 48 GLU 33.7395 3.2464 17.4032<br /> 721 C 48 GLU 29.0982 1.0404 18.0056<br /> 722 O 48 GLU 28.4821 0.3489 18.8151<br /> 723 N 49 TYR 29.1558 0.8002 16.7039<br /> 724 H 49 TYR 29.6593 1.3675 16.0523<br /> 725 CA 49 TYR 28.4686 -0.3403 16.1222<br /> 726 HA 49 TYR 27.6080 -0.5706 16.7502<br /> 727 CB 49 TYR 28.0991 0.0725 14.6961<br /> 728 HB2 49 TYR 29.0129 0.1829 14.1123<br /> 729 HB3 49 TYR 27.5212 -0.7284 14.2350<br /> 730 CG 49 TYR 27.2977 1.3731 14.6127<br /> 731 CD1 49 TYR 26.0841 1.4788 15.2615<br /> 732 HD1 49 TYR 25.6967 0.6355 15.8334<br /> 733 CE1 49 TYR 25.3298 2.7029 15.1831<br /> 734 HE1 49 TYR 24.3701 2.7997 15.6907<br /> 735 CZ 49 TYR 25.8420 3.7355 14.4613<br /> 736 CE2 49 TYR 27.0339 3.6648 13.8102<br /> 737 HE2 49 TYR 27.4098 4.5156 13.2418<br /> 738 CD2 49 TYR 27.7882 2.4407 13.8887<br /> 739 HD2 49 TYR 28.7467 2.3572 13.3763<br /> 740 OH 49 TYR 25.1296 4.8916 14.3872<br /> 741 HH 49 TYR 25.6683 5.5962 13.9252<br /> 742 C 49 TYR 29.3867 -1.5629 16.0648<br /> 743 O 49 TYR 30.5887 -1.4310 15.8399<br /> 744 N 50 VAL 28.7851 -2.7251 16.2721<br /> 745 H 50 VAL 27.8069 -2.8237 16.4543<br /> 746 CA 50 VAL 29.5336 -3.9702 16.2468<br /> 747 HA 50 VAL 30.5687 -3.7269 16.0073<br /> 748 CB 50 VAL 29.5083 -4.6243 17.6297<br /> 749 HB 50 VAL 28.4682 -4.8264 17.8858<br /> 750 CG1 50 VAL 30.2578 -5.9580 17.6192<br /> 751 HG11 50 VAL 31.0806 -5.9067 16.9061<br /> 752 HG12 50 VAL 30.6521 -6.1611 18.6149<br /> 753 HG13 50 VAL 29.5748 -6.7564 17.3291<br /> 754 CG2 50 VAL 30.0791 -3.6827 18.6920<br /> 755 HG21 50 VAL 30.7986 -3.0069 18.2296<br /> 756 HG22 50 VAL 29.2699 -3.1031 19.1363<br /> 757 HG23 50 VAL 30.5754 -4.2670 19.4667<br /> 758 C 50 VAL 28.9733 -4.8748 15.1473<br /> 759 O 50 VAL 27.7599 -5.0420 15.0345<br /> 760 N 51 LEU 29.8840 -5.4345 14.3645<br /> 761 H 51 LEU 30.8690 -5.2933 14.4630<br /> 762 CA 51 LEU 29.4959 -6.3178 13.2780<br /> 763 HA 51 LEU 28.4506 -6.1123 13.0474<br /> 764 CB 51 LEU 30.3068 -6.0061 12.0185<br /> 765 HB2 51 LEU 30.5205 -4.9373 12.0032<br /> 766 HB3 51 LEU 31.2645 -6.5216 12.0902<br /> 767 CG 51 LEU 29.6527 -6.3862 10.6886<br /> 768 HG 51 LEU 29.4358 -7.4542 10.7075<br /> 769 CD1 51 LEU 28.3201 -5.6577 10.5050<br /> 770 HD11 51 LEU 28.4055 -4.6414 10.8898<br /> 771 HD12 51 LEU 28.0669 -5.6248 9.4451<br /> 772 HD13 51 LEU 27.5382 -6.1877 11.0489<br /> 773 CD2 51 LEU 30.6068 -6.1397 9.5181<br /> 774 HD21 51 LEU 31.2502 -5.2900 9.7466<br /> 775 HD22 51 LEU 31.2197 -7.0263 9.3560<br /> 776 HD23 51 LEU 30.0300 -5.9271 8.6179<br /> 777 C 51 LEU 29.6137 -7.7712 13.7412<br /> 778 O 51 LEU 30.5095 -8.4940 13.3075<br /> 779 N 52 SER 28.6964 -8.1561 14.6162<br /> 780 H 52 SER 27.9711 -7.5619 14.9639<br /> 781 CA 52 SER 28.6861 -9.5103 15.1430<br /> 782 HA 52 SER 29.7028 -9.6922 15.4911<br /> 783 CB 52 SER 27.7152 -9.6365 16.3186<br /> 784 HB2 52 SER 28.2246 -9.3575 17.2411<br /> 785 HB3 52 SER 26.8911 -8.9359 16.1852<br /> 786 OG 52 SER 27.1979 -10.9585 16.4442<br /> 787 HG 52 SER 26.4901 -11.1156 15.7555<br /> 788 C 52 SER 28.3120 -10.4991 14.0370<br /> 789 O 52 SER 27.2766 -10.3499 13.3901<br /> 790 N 53 VAL 29.1754 -11.4873 13.8541<br /> 791 H 53 VAL 30.0153 -11.6015 14.3846<br /> 792 CA 53 VAL 28.9487 -12.5006 12.8375<br /> 793 HA 53 VAL 27.8721 -12.5815 12.6882<br /> 794 CB 53 VAL 29.5792 -12.0639 11.5136<br /> 795 HB 53 VAL 28.9328 -11.3078 11.0680<br /> 796 CG1 53 VAL 30.9534 -11.4318 11.7429<br /> 797 HG11 53 VAL 31.6491 -11.7895 10.9838<br /> 798 HG12 53 VAL 30.8700 -10.3470 11.6770<br /> 799 HG13 53 VAL 31.3204 -11.7087 12.7313<br /> 800 CG2 53 VAL 29.6715 -13.2379 10.5368<br /> 801 HG21 53 VAL 28.8856 -13.9593 10.7605<br /> 802 HG22 53 VAL 29.5497 -12.8724 9.5171<br /> 803 HG23 53 VAL 30.6448 -13.7181 10.6368<br /> 804 C 53 VAL 29.4792 -13.8458 13.3373<br /> 805 O 53 VAL 30.5841 -13.9213 13.8726<br /> 806 N 54 LEU 28.6667 -14.8745 13.1449<br /> 807 H 54 LEU 27.7696 -14.8046 12.7087<br /> 808 CA 54 LEU 29.0404 -16.2130 13.5694<br /> 809 HA 54 LEU 29.6100 -16.1154 14.4936<br /> 810 CB 54 LEU 27.7944 -17.0405 13.8911<br /> 811 HB2 54 LEU 27.3058 -16.6018 14.7612<br /> 812 HB3 54 LEU 27.0986 -16.9523 13.0567<br /> 813 CG 54 LEU 28.0294 -18.5268 14.1682<br /> 814 HG 54 LEU 28.6566 -18.9276 13.3719<br /> 815 CD1 54 LEU 28.7856 -18.7265 15.4830<br /> 816 HD11 54 LEU 28.9686 -19.7897 15.6390<br /> 817 HD12 54 LEU 29.7373 -18.1967 15.4389<br /> 818 HD13 54 LEU 28.1900 -18.3353 16.3078<br /> 819 CD2 54 LEU 26.7121 -19.3046 14.1407<br /> 820 HD21 54 LEU 26.7572 -20.1210 14.8615<br /> 821 HD22 54 LEU 25.8903 -18.6367 14.3991<br /> 822 HD23 54 LEU 26.5505 -19.7101 13.1419<br /> 823 C 54 LEU 29.9425 -16.8466 12.5084<br /> 824 O 54 LEU 29.7179 -16.6704 11.3120<br /> 825 N 55 TRP 30.9439 -17.5712 12.9852<br /> 826 H 55 TRP 31.1196 -17.7096 13.9599<br /> 827 CA 55 TRP 31.8809 -18.2321 12.0926<br /> 828 HA 55 TRP 31.3232 -18.5817 11.2238<br /> 829 CB 55 TRP 32.9353 -17.2495 11.5794<br /> 830 HB2 55 TRP 32.4412 -16.3238 11.2837<br /> 831 HB3 55 TRP 33.6141 -17.0018 12.3955<br /> 832 CG 55 TRP 33.7523 -17.7746 10.3972<br /> 833 CD1 55 TRP 34.9626 -18.3492 10.4211<br /> 834 CD2 55 TRP 33.3662 -17.7500 9.0067<br /> 835 CE3 55 TRP 32.1975 -17.2629 8.3954<br /> 836 CE2 55 TRP 34.3816 -18.3193 8.2657<br /> 837 NE1 55 TRP 35.3834 -18.6952 9.1530<br /> 838 HD1 55 TRP 35.5421 -18.5214 11.3280<br /> 839 HE3 55 TRP 31.3818 -16.8093 8.9582<br /> 840 CZ3 55 TRP 32.1626 -17.4059 7.0031<br /> 841 CZ2 55 TRP 34.3312 -18.4550 6.8732<br /> 842 HE1 55 TRP 36.3274 -19.1750 8.8950<br /> 843 HZ3 55 TRP 31.2782 -17.0442 6.4787<br /> 844 CH2 55 TRP 33.1765 -17.9766 6.2426<br /> 845 HZ2 55 TRP 35.1471 -18.9086 6.3104<br /> 846 HH2 55 TRP 33.0729 -18.0514 5.1602<br /> 847 C 55 TRP 32.4861 -19.4224 12.8394<br /> 848 O 55 TRP 33.1959 -19.2437 13.8280<br /> 849 N 56 ASP 32.1833 -20.6107 12.3379<br /> 850 H 56 ASP 31.6054 -20.7474 11.5334<br /> 851 CA 56 ASP 32.6887 -21.8302 12.9452<br /> 852 HA 56 ASP 32.1862 -22.6417 12.4191<br /> 853 CB 56 ASP 34.2062 -21.9380 12.7838<br /> 854 HB2 56 ASP 34.6815 -21.2785 13.5101<br /> 855 HB3 56 ASP 34.5114 -22.9551 13.0296<br /> 856 CG 56 ASP 34.7345 -21.5922 11.3902<br /> 857 OD1 56 ASP 33.9415 -21.7266 10.4333<br /> 858 OD2 56 ASP 35.9193 -21.2014 11.3132<br /> 859 C 56 ASP 32.3721 -21.8184 14.4421<br /> 860 O 56 ASP 33.2732 -21.9316 15.2717<br /> 861 N 57 GLY 31.0890 -21.6805 14.7419<br /> 862 H 57 GLY 30.3623 -21.5891 14.0611<br /> 863 CA 57 GLY 30.6423 -21.6525 16.1243<br /> 864 HA2 57 GLY 29.5771 -21.4242 16.1614<br /> 865 HA3 57 GLY 30.7729 -22.6375 16.5724<br /> 866 C 57 GLY 31.4210 -20.6116 16.9312<br /> 867 O 57 GLY 31.9649 -20.9216 17.9900<br /> 868 N 58 LEU 31.4498 -19.3982 16.3999<br /> 869 H 58 LEU 31.0048 -19.1544 15.5383<br /> 870 CA 58 LEU 32.1530 -18.3098 17.0575<br /> 871 HA 58 LEU 31.9054 -18.3545 18.1180<br /> 872 CB 58 LEU 33.6664 -18.4999 16.9378<br /> 873 HB2 58 LEU 33.8565 -19.4882 16.5192<br /> 874 HB3 58 LEU 34.0485 -17.7718 16.2222<br /> 875 CG 58 LEU 34.4642 -18.3644 18.2363<br /> 876 HG 58 LEU 34.2289 -17.3982 18.6825<br /> 877 CD1 58 LEU 34.0558 -19.4395 19.2453<br /> 878 HD11 58 LEU 34.6252 -19.3090 20.1657<br /> 879 HD12 58 LEU 32.9910 -19.3497 19.4610<br /> 880 HD13 58 LEU 34.2600 -20.4256 18.8283<br /> 881 CD2 58 LEU 35.9688 -18.3800 17.9596<br /> 882 HD21 58 LEU 36.1514 -18.7909 16.9666<br /> 883 HD22 58 LEU 36.3580 -17.3630 18.0092<br /> 884 HD23 58 LEU 36.4691 -18.9973 18.7058<br /> 885 C 58 LEU 31.6547 -16.9754 16.4989<br /> 886 O 58 LEU 32.2065 -16.4598 15.5281<br /> 887 N 59 PRO 30.5891 -16.4405 17.1532<br /> 888 CD 59 PRO 29.9097 -17.0230 18.3067<br /> 889 CA 59 PRO 30.0102 -15.1760 16.7322<br /> 890 HA 59 PRO 29.9519 -15.1360 15.7346<br /> 891 CB 59 PRO 28.6352 -15.1382 17.3789<br /> 892 HB2 59 PRO 28.4105 -14.1422 17.7607<br /> 893 HB3 59 PRO 27.8570 -15.3858 16.6570<br /> 894 CG 59 PRO 28.6766 -16.1571 18.5062<br /> 895 HG2 59 PRO 28.7147 -15.6553 19.4731<br /> 896 HG3 59 PRO 27.7750 -16.7695 18.5004<br /> 897 HD2 59 PRO 30.5486 -17.0117 19.1898<br /> 898 HD3 59 PRO 29.6383 -18.0624 18.1231<br /> 899 C 59 PRO 30.8985 -14.0012 17.1466<br /> 900 O 59 PRO 30.6735 -13.3850 18.1871<br /> 901 N 60 ARG 31.8892 -13.7263 16.3109<br /> 902 H 60 ARG 32.0653 -14.2324 15.4667<br /> 903 CA 60 ARG 32.8123 -12.6362 16.5773<br /> 904 HA 60 ARG 33.1522 -12.8025 17.5995<br /> 905 CB 60 ARG 33.9983 -12.6704 15.6114<br /> 906 HB2 60 ARG 33.6595 -12.4244 14.6050<br /> 907 HB3 60 ARG 34.7266 -11.9114 15.8969<br /> 908 CG 60 ARG 34.6637 -14.0482 15.6087<br /> 909 HG2 60 ARG 33.8995 -14.8250 15.5840<br /> 910 HG3 60 ARG 35.2650 -14.1638 14.7070<br /> 911 CD 60 ARG 35.5468 -14.2329 16.8445<br /> 912 HD2 60 ARG 35.4775 -13.3544 17.4857<br /> 913 HD3 60 ARG 35.1951 -15.0830 17.4291<br /> 914 NE 60 ARG 36.9523 -14.4491 16.4344<br /> 915 HE 60 ARG 37.6150 -13.7272 16.6335<br /> 916 CZ 60 ARG 37.3923 -15.5517 15.8130<br /> 917 NH1 60 ARG 38.6853 -15.6613 15.4783<br /> 918 HH11 60 ARG 39.0138 -16.4842 15.0146<br /> 919 HH12 60 ARG 39.3218 -14.9202 15.6922<br /> 920 NH2 60 ARG 36.5396 -16.5447 15.5263<br /> 921 HH21 60 ARG 36.8681 -17.3677 15.0625<br /> 922 HH22 60 ARG 35.5747 -16.4630 15.7761<br /> 923 C 60 ARG 32.0961 -11.2904 16.4473<br /> 924 O 60 ARG 31.0120 -11.2133 15.8712<br /> 925 N 61 HIS 32.7311 -10.2632 16.9923<br /> 926 H 61 HIS 33.6126 -10.3345 17.4590<br /> 927 CA 61 HIS 32.1682 -8.9245 16.9444<br /> 928 HA 61 HIS 31.2686 -8.9853 16.3320<br /> 929 CB 61 HIS 31.7511 -8.4604 18.3413<br /> 930 HB2 61 HIS 32.4742 -8.8318 19.0674<br /> 931 HB3 61 HIS 31.7922 -7.3718 18.3787<br /> 932 CG 61 HIS 30.3698 -8.9121 18.7516<br /> 933 ND1 61 HIS 29.2142 -8.3751 18.2116<br /> 934 CD2 61 HIS 29.9716 -9.8551 19.6531<br /> 935 HD1 61 HIS 29.1719 -7.6566 17.5174<br /> 936 CE1 61 HIS 28.1734 -8.9745 18.7709<br /> 937 NE2 61 HIS 28.6448 -9.8910 19.6643<br /> 938 HD2 61 HIS 30.6314 -10.4739 20.2611<br /> 939 HE1 61 HIS 27.1245 -8.7711 18.5549<br /> 940 C 61 HIS 33.1626 -7.9732 16.2758<br /> 941 O 61 HIS 33.8691 -7.2300 16.9551<br /> 942 N 62 PHE 33.1857 -8.0274 14.9522<br /> 943 H 62 PHE 32.6076 -8.6348 14.4072<br /> 944 CA 62 PHE 34.0817 -7.1799 14.1840<br /> 945 HA 62 PHE 35.0697 -7.2589 14.6374<br /> 946 CB 62 PHE 34.0403 -7.6795 12.7385<br /> 947 HB2 62 PHE 33.0180 -7.6040 12.3678<br /> 948 HB3 62 PHE 34.6527 -7.0233 12.1202<br /> 949 CG 62 PHE 34.5257 -9.1200 12.5639<br /> 950 CD1 62 PHE 35.8555 -9.3798 12.4456<br /> 951 HD1 62 PHE 36.5754 -8.5617 12.4752<br /> 952 CE1 62 PHE 36.3060 -10.7165 12.2835<br /> 953 HE1 62 PHE 37.3718 -10.9248 12.1886<br /> 954 CZ 62 PHE 35.4079 -11.7371 12.2465<br /> 955 HZ 62 PHE 35.7537 -12.7633 12.1220<br /> 956 CE2 62 PHE 34.0782 -11.4774 12.3648<br /> 957 HE2 62 PHE 33.3583 -12.2953 12.3352<br /> 958 CD2 62 PHE 33.6276 -10.1405 12.5270<br /> 959 HD2 62 PHE 32.5619 -9.9323 12.6217<br /> 960 C 62 PHE 33.6220 -5.7210 14.2202<br /> 961 O 62 PHE 32.9707 -5.2484 13.2899<br /> 962 N 63 ILE 33.9792 -5.0481 15.3041<br /> 963 H 63 ILE 34.5090 -5.4399 16.0563<br /> 964 CA 63 ILE 33.6116 -3.6526 15.4738<br /> 965 HA 63 ILE 32.5299 -3.5834 15.3586<br /> 966 CB 63 ILE 33.9470 -3.1784 16.8893<br /> 967 HB 63 ILE 35.0223 -3.2775 17.0368<br /> 968 CG2 63 ILE 33.6008 -1.6989 17.0683<br /> 969 HG21 63 ILE 32.5749 -1.5241 16.7440<br /> 970 HG22 63 ILE 33.7009 -1.4268 18.1191<br /> 971 HG23 63 ILE 34.2796 -1.0918 16.4695<br /> 972 CG1 63 ILE 33.2638 -4.0580 17.9384<br /> 973 HG12 63 ILE 32.1816 -3.9677 17.8449<br /> 974 HG13 63 ILE 33.5131 -5.1039 17.7594<br /> 975 CD1 63 ILE 33.6942 -3.6601 19.3517<br /> 976 HD11 63 ILE 33.7492 -4.5499 19.9788<br /> 977 HD12 63 ILE 34.6730 -3.1822 19.3125<br /> 978 HD13 63 ILE 32.9668 -2.9647 19.7707<br /> 979 C 63 ILE 34.2708 -2.8186 14.3734<br /> 980 O 63 ILE 35.4935 -2.8162 14.2398<br /> 981 N 64 ILE 33.4314 -2.1306 13.6135<br /> 982 H 64 ILE 32.4382 -2.1381 13.7289<br /> 983 CA 64 ILE 33.9174 -1.2944 12.5290<br /> 984 HA 64 ILE 34.6465 -1.8786 11.9677<br /> 985 CB 64 ILE 32.7785 -0.9482 11.5678<br /> 986 HB 64 ILE 32.0034 -0.4276 12.1300<br /> 987 CG2 64 ILE 33.2577 0.0042 10.4704<br /> 988 HG21 64 ILE 33.5083 0.9692 10.9110<br /> 989 HG22 64 ILE 34.1400 -0.4142 9.9860<br /> 990 HG23 64 ILE 32.4663 0.1360 9.7327<br /> 991 CG1 64 ILE 32.1441 -2.2152 10.9904<br /> 992 HG12 64 ILE 32.7845 -2.6228 10.2081<br /> 993 HG13 64 ILE 32.0681 -2.9750 11.7681<br /> 994 CD1 64 ILE 30.7555 -1.9217 10.4189<br /> 995 HD11 64 ILE 30.0124 -2.5216 10.9439<br /> 996 HD12 64 ILE 30.5257 -0.8640 10.5480<br /> 997 HD13 64 ILE 30.7394 -2.1701 9.3577<br /> 998 C 64 ILE 34.6234 -0.0690 13.1127<br /> 999 O 64 ILE 34.0595 0.6384 13.9461<br /> 1000 N 65 GLN 35.8471 0.1445 12.6518<br /> 1001 H 65 GLN 36.2985 -0.4356 11.9739<br /> 1002 CA 65 GLN 36.6361 1.2723 13.1178<br /> 1003 HA 65 GLN 36.2992 1.4600 14.1372<br /> 1004 CB 65 GLN 38.1266 0.9276 13.1378<br /> 1005 HB2 65 GLN 38.4204 0.5121 12.1738<br /> 1006 HB3 65 GLN 38.7116 1.8355 13.2850<br /> 1007 CG 65 GLN 38.4426 -0.0752 14.2493<br /> 1008 HG2 65 GLN 37.9073 -1.0068 14.0663<br /> 1009 HG3 65 GLN 39.5066 -0.3114 14.2389<br /> 1010 CD 65 GLN 38.0519 0.4834 15.6190<br /> 1011 OE1 65 GLN 38.6671 1.3968 16.1442<br /> 1012 NE2 65 GLN 36.9973 -0.1144 16.1663<br /> 1013 HE21 65 GLN 36.5373 -0.8586 15.6819<br /> 1014 HE22 65 GLN 36.6645 0.1803 17.0620<br /> 1015 C 65 GLN 36.3694 2.5023 12.2478<br /> 1016 O 65 GLN 36.4229 2.4230 11.0215<br /> 1017 N 66 SER 36.0878 3.6108 12.9165<br /> 1018 H 66 SER 36.0462 3.6668 13.9141<br /> 1019 CA 66 SER 35.8126 4.8558 12.2197<br /> 1020 HA 66 SER 35.6893 4.5792 11.1727<br /> 1021 CB 66 SER 34.5228 5.5000 12.7316<br /> 1022 HB2 66 SER 34.0510 6.0587 11.9232<br /> 1023 HB3 66 SER 33.8224 4.7206 13.0315<br /> 1024 OG 66 SER 34.7622 6.3717 13.8332<br /> 1025 HG 66 SER 34.9932 5.8388 14.6472<br /> 1026 C 66 SER 36.9894 5.8194 12.3855<br /> 1027 O 66 SER 37.4429 6.0648 13.5023<br /> 1028 N 67 LEU 37.4503 6.3396 11.2576<br /> 1029 H 67 LEU 37.0758 6.1349 10.3533<br /> 1030 CA 67 LEU 38.5656 7.2710 11.2638<br /> 1031 HA 67 LEU 38.3057 8.0875 11.9375<br /> 1032 CB 67 LEU 39.8201 6.6010 11.8280<br /> 1033 HB2 67 LEU 39.5100 5.8281 12.5313<br /> 1034 HB3 67 LEU 40.3384 6.0990 11.0109<br /> 1035 CG 67 LEU 40.8141 7.5252 12.5343<br /> 1036 HG 67 LEU 40.2499 8.2922 13.0647<br /> 1037 CD1 67 LEU 41.6278 6.7591 13.5791<br /> 1038 HD11 67 LEU 40.9597 6.3754 14.3501<br /> 1039 HD12 67 LEU 42.1444 5.9276 13.0992<br /> 1040 HD13 67 LEU 42.3593 7.4283 14.0321<br /> 1041 CD2 67 LEU 41.7104 8.2420 11.5225<br /> 1042 HD21 67 LEU 41.5633 7.8065 10.5341<br /> 1043 HD22 67 LEU 41.4528 9.3008 11.4950<br /> 1044 HD23 67 LEU 42.7537 8.1295 11.8176<br /> 1045 C 67 LEU 38.7539 7.8438 9.8576<br /> 1046 O 67 LEU 38.4578 7.1772 8.8672<br /> 1047 N 68 ASP 39.2454 9.0734 9.8151<br /> 1048 H 68 ASP 39.4837 9.6087 10.6254<br /> 1049 CA 68 ASP 39.4767 9.7435 8.5467<br /> 1050 HA 68 ASP 39.7819 10.7563 8.8093<br /> 1051 CB 68 ASP 40.5718 9.0391 7.7434<br /> 1052 HB2 68 ASP 40.4314 7.9619 7.8331<br /> 1053 HB3 68 ASP 40.4473 9.2900 6.6900<br /> 1054 CG 68 ASP 42.0029 9.3822 8.1618<br /> 1055 OD1 68 ASP 42.1399 10.1584 9.1320<br /> 1056 OD2 68 ASP 42.9276 8.8607 7.5020<br /> 1057 C 68 ASP 38.1907 9.7158 7.7182<br /> 1058 O 68 ASP 38.2401 9.6625 6.4904<br /> 1059 N 69 ASN 37.0696 9.7534 8.4233<br /> 1060 H 69 ASN 37.0382 9.7967 9.4218<br /> 1061 CA 69 ASN 35.7727 9.7333 7.7684<br /> 1062 HA 69 ASN 35.0429 9.7552 8.5776<br /> 1063 CB 69 ASN 35.6003 10.9452 6.8506<br /> 1064 HB2 69 ASN 36.0620 10.7427 5.8841<br /> 1065 HB3 69 ASN 34.5399 11.1191 6.6671<br /> 1066 CG 69 ASN 36.2280 12.1956 7.4698<br /> 1067 OD1 69 ASN 37.3376 12.5885 7.1491<br /> 1068 ND2 69 ASN 35.4584 12.7968 8.3726<br /> 1069 HD21 69 ASN 34.5570 12.4223 8.5901<br /> 1070 HD22 69 ASN 35.7810 13.6233 8.8340<br /> 1071 C 69 ASN 35.6585 8.4711 6.9112<br /> 1072 O 69 ASN 34.9426 8.4583 5.9111<br /> 1073 N 70 LEU 36.3751 7.4402 7.3343<br /> 1074 H 70 LEU 36.9549 7.4589 8.1489<br /> 1075 CA 70 LEU 36.3633 6.1761 6.6180<br /> 1076 HA 70 LEU 35.5067 6.1905 5.9441<br /> 1077 CB 70 LEU 37.6175 6.0390 5.7524<br /> 1078 HB2 70 LEU 38.4058 6.6511 6.1904<br /> 1079 HB3 70 LEU 37.9551 5.0036 5.7985<br /> 1080 CG 70 LEU 37.4634 6.4310 4.2815<br /> 1081 HG 70 LEU 36.4328 6.2392 3.9830<br /> 1082 CD1 70 LEU 37.7206 7.9260 4.0827<br /> 1083 HD11 70 LEU 38.6165 8.2166 4.6313<br /> 1084 HD12 70 LEU 37.8613 8.1326 3.0216<br /> 1085 HD13 70 LEU 36.8672 8.4940 4.4533<br /> 1086 CD2 70 LEU 38.3600 5.5714 3.3881<br /> 1087 HD21 70 LEU 37.7544 5.0929 2.6184<br /> 1088 HD22 70 LEU 39.1147 6.2013 2.9172<br /> 1089 HD23 70 LEU 38.8497 4.8077 3.9923<br /> 1090 C 70 LEU 36.1764 5.0312 7.6156<br /> 1091 O 70 LEU 36.5670 5.1447 8.7764<br /> 1092 N 71 TYR 35.5791 3.9544 7.1267<br /> 1093 H 71 TYR 35.2644 3.8702 6.1813<br /> 1094 CA 71 TYR 35.3356 2.7899 7.9609<br /> 1095 HA 71 TYR 35.5501 3.0650 8.9935<br /> 1096 CB 71 TYR 33.8779 2.3942 7.7176<br /> 1097 HB2 71 TYR 33.7420 2.1809 6.6574<br /> 1098 HB3 71 TYR 33.6675 1.4713 8.2579<br /> 1099 CG 71 TYR 32.8649 3.4591 8.1426<br /> 1100 CD1 71 TYR 32.2302 4.2278 7.1880<br /> 1101 HD1 71 TYR 32.4508 4.0761 6.1314<br /> 1102 CE1 71 TYR 31.2767 5.2301 7.5880<br /> 1103 HE1 71 TYR 30.7684 5.8440 6.8445<br /> 1104 CZ 71 TYR 31.0248 5.3934 8.9144<br /> 1105 CE2 71 TYR 31.6323 4.6534 9.8804<br /> 1106 HE2 71 TYR 31.4026 4.8153 10.9335<br /> 1107 CD2 71 TYR 32.5857 3.6511 9.4804<br /> 1108 HD2 71 TYR 33.0870 3.0440 10.2343<br /> 1109 OH 71 TYR 30.1243 6.3400 9.2922<br /> 1110 HH 71 TYR 30.1946 7.1373 8.6927<br /> 1111 C 71 TYR 36.2420 1.6258 7.5555<br /> 1112 O 71 TYR 36.1009 1.0753 6.4646<br /> 1113 N 72 ARG 37.1526 1.2853 8.4557<br /> 1114 H 72 ARG 37.2607 1.7382 9.3406<br /> 1115 CA 72 ARG 38.0819 0.1967 8.2054<br /> 1116 HA 72 ARG 37.6165 -0.3905 7.4138<br /> 1117 CB 72 ARG 39.4405 0.7275 7.7436<br /> 1118 HB2 72 ARG 40.0233 -0.0843 7.3084<br /> 1119 HB3 72 ARG 39.2970 1.4722 6.9607<br /> 1120 CG 72 ARG 40.2120 1.3481 8.9101<br /> 1121 HG2 72 ARG 39.5119 1.6949 9.6702<br /> 1122 HG3 72 ARG 40.8413 0.5912 9.3782<br /> 1123 CD 72 ARG 41.0779 2.5166 8.4350<br /> 1124 HD2 72 ARG 41.5931 2.2469 7.5132<br /> 1125 HD3 72 ARG 40.4488 3.3775 8.2085<br /> 1126 NE 72 ARG 42.0643 2.8729 9.4792<br /> 1127 HE 72 ARG 42.0333 2.3715 10.3439<br /> 1128 CZ 72 ARG 42.9963 3.8252 9.3384<br /> 1129 NH1 72 ARG 43.8500 4.0805 10.3394<br /> 1130 HH11 72 ARG 44.5457 4.7911 10.2343<br /> 1131 HH12 72 ARG 43.7914 3.5602 11.1914<br /> 1132 NH2 72 ARG 43.0749 4.5223 8.1968<br /> 1133 HH21 72 ARG 43.7706 5.2331 8.0918<br /> 1134 HH22 72 ARG 42.4379 4.3319 7.4498<br /> 1135 C 72 ARG 38.2727 -0.6401 9.4720<br /> 1136 O 72 ARG 38.2169 -0.1136 10.5823<br /> 1137 N 73 LEU 38.4940 -1.9296 9.2632<br /> 1138 H 73 LEU 38.5379 -2.3498 8.3569<br /> 1139 CA 73 LEU 38.6934 -2.8442 10.3745<br /> 1140 HA 73 LEU 38.5194 -2.2846 11.2935<br /> 1141 CB 73 LEU 37.6623 -3.9737 10.3305<br /> 1142 HB2 73 LEU 37.4084 -4.1667 9.2882<br /> 1143 HB3 73 LEU 38.1284 -4.8796 10.7180<br /> 1144 CG 73 LEU 36.3658 -3.7289 11.1053<br /> 1145 HG 73 LEU 35.9837 -2.7459 10.8299<br /> 1146 CD1 73 LEU 35.2962 -4.7533 10.7219<br /> 1147 HD11 73 LEU 35.1228 -5.4285 11.5598<br /> 1148 HD12 73 LEU 34.3693 -4.2355 10.4746<br /> 1149 HD13 73 LEU 35.6342 -5.3255 9.8579<br /> 1150 CD2 73 LEU 36.6241 -3.7070 12.6132<br /> 1151 HD21 73 LEU 35.7388 -4.0650 13.1387<br /> 1152 HD22 73 LEU 37.4709 -4.3526 12.8463<br /> 1153 HD23 73 LEU 36.8467 -2.6877 12.9289<br /> 1154 C 73 LEU 40.1428 -3.3343 10.3722<br /> 1155 O 73 LEU 40.9110 -3.0158 11.2786<br /> 1156 N 74 GLU 40.4730 -4.1011 9.3435<br /> 1157 H 74 GLU 39.8422 -4.3555 8.6105<br /> 1158 CA 74 GLU 41.8166 -4.6383 9.2113<br /> 1159 HA 74 GLU 42.4706 -3.9008 9.6764<br /> 1160 CB 74 GLU 41.9511 -5.9681 9.9558<br /> 1161 HB2 74 GLU 41.0413 -6.5546 9.8274<br /> 1162 HB3 74 GLU 42.7677 -6.5486 9.5265<br /> 1163 CG 74 GLU 42.2101 -5.7383 11.4462<br /> 1164 HG2 74 GLU 42.7347 -6.5973 11.8644<br /> 1165 HG3 74 GLU 42.8601 -4.8732 11.5767<br /> 1166 CD 74 GLU 40.8988 -5.5167 12.2027<br /> 1167 OE1 74 GLU 39.9199 -6.2133 11.8576<br /> 1168 OE2 74 GLU 40.9050 -4.6558 13.1091<br /> 1169 C 74 GLU 42.1815 -4.7978 7.7340<br /> 1170 O 74 GLU 42.9982 -5.6471 7.3809<br /> 1171 N 75 GLY 41.5585 -3.9676 6.9105<br /> 1172 H 75 GLY 40.8956 -3.2797 7.2059<br /> 1173 CA 75 GLY 41.8075 -4.0059 5.4795<br /> 1174 HA2 75 GLY 42.7990 -4.4172 5.2902<br /> 1175 HA3 75 GLY 41.0896 -4.6708 4.9995<br /> 1176 C 75 GLY 41.7041 -2.6074 4.8674<br /> 1177 O 75 GLY 42.6431 -1.8175 4.9529<br /> 1178 N 76 GLU 40.5546 -2.3441 4.2635<br /> 1179 H 76 GLU 39.7959 -2.9922 4.1983<br /> 1180 CA 76 GLU 40.3163 -1.0548 3.6373<br /> 1181 HA 76 GLU 41.2367 -0.4886 3.7805<br /> 1182 CB 76 GLU 40.0533 -1.2134 2.1385<br /> 1183 HB2 76 GLU 39.6559 -2.2086 1.9386<br /> 1184 HB3 76 GLU 39.2949 -0.4978 1.8208<br /> 1185 CG 76 GLU 41.3351 -0.9986 1.3311<br /> 1186 HG2 76 GLU 41.5487 0.0678 1.2581<br /> 1187 HG3 76 GLU 42.1768 -1.4576 1.8495<br /> 1188 CD 76 GLU 41.2059 -1.5955 -0.0717<br /> 1189 OE1 76 GLU 40.3336 -1.1035 -0.8197<br /> 1190 OE2 76 GLU 41.9826 -2.5303 -0.3645<br /> 1191 C 76 GLU 39.1530 -0.3375 4.3252<br /> 1192 O 76 GLU 38.2398 -0.9808 4.8401<br /> 1193 N 77 GLY 39.2241 0.9854 4.3115<br /> 1194 H 77 GLY 39.9704 1.5010 3.8905<br /> 1195 CA 77 GLY 38.1882 1.7970 4.9276<br /> 1196 HA2 77 GLY 37.6477 1.2042 5.6655<br /> 1197 HA3 77 GLY 38.6440 2.6312 5.4608<br /> 1198 C 77 GLY 37.2109 2.3287 3.8773<br /> 1199 O 77 GLY 37.5883 2.5466 2.7270<br /> 1200 N 78 PHE 35.9739 2.5222 4.3106<br /> 1201 H 78 PHE 35.6752 2.3425 5.2478<br /> 1202 CA 78 PHE 34.9396 3.0243 3.4220<br /> 1203 HA 78 PHE 35.4227 3.2933 2.4828<br /> 1204 CB 78 PHE 33.9023 1.9102 3.2688<br /> 1205 HB2 78 PHE 33.7797 1.4072 4.2280<br /> 1206 HB3 78 PHE 32.9398 2.3559 3.0175<br /> 1207 CG 78 PHE 34.2592 0.8696 2.2053<br /> 1208 CD1 78 PHE 33.7801 0.9995 0.9391<br /> 1209 HD1 78 PHE 33.1418 1.8448 0.6819<br /> 1210 CE1 78 PHE 34.1113 0.0337 -0.0477<br /> 1211 HE1 78 PHE 33.7273 0.1377 -1.0626<br /> 1212 CZ 78 PHE 34.9075 -1.0211 0.2732<br /> 1213 HZ 78 PHE 35.1617 -1.7624 -0.4843<br /> 1214 CE2 78 PHE 35.3867 -1.1509 1.5394<br /> 1215 HE2 78 PHE 36.0248 -1.9963 1.7966<br /> 1216 CD2 78 PHE 35.0555 -0.1851 2.5263<br /> 1217 HD2 78 PHE 35.4393 -0.2891 3.5411<br /> 1218 C 78 PHE 34.2597 4.2600 4.0150<br /> 1219 O 78 PHE 34.3125 4.4821 5.2236<br /> 1220 N 79 PRO 33.6202 5.0524 3.1135<br /> 1221 CD 79 PRO 33.5369 4.8207 1.6744<br /> 1222 CA 79 PRO 32.9307 6.2599 3.5349<br /> 1223 HA 79 PRO 33.4768 6.7530 4.2122<br /> 1224 CB 79 PRO 32.7443 7.0708 2.2629<br /> 1225 HB2 79 PRO 31.7582 7.5346 2.2363<br /> 1226 HB3 79 PRO 33.4767 7.8758 2.2019<br /> 1227 CG 79 PRO 32.9161 6.0900 1.1144<br /> 1228 HG2 79 PRO 31.9537 5.8722 0.6512<br /> 1229 HG3 79 PRO 33.5531 6.5170 0.3398<br /> 1230 HD2 79 PRO 32.9247 3.9475 1.4488<br /> 1231 HD3 79 PRO 34.5220 4.6387 1.2450<br /> 1232 C 79 PRO 31.6091 5.9231 4.2284<br /> 1233 O 79 PRO 30.9793 6.7929 4.8282<br /> 1234 N 80 SER 31.2280 4.6585 4.1232<br /> 1235 H 80 SER 31.7460 3.9573 3.6335<br /> 1236 CA 80 SER 29.9928 4.1960 4.7329<br /> 1237 HA 80 SER 29.8120 4.8729 5.5678<br /> 1238 CB 80 SER 28.8263 4.2808 3.7466<br /> 1239 HB2 80 SER 28.3538 3.3023 3.6589<br /> 1240 HB3 80 SER 28.0722 4.9652 4.1348<br /> 1241 OG 80 SER 29.2475 4.7207 2.4582<br /> 1242 HG 80 SER 28.4919 5.1774 1.9888<br /> 1243 C 80 SER 30.1619 2.7598 5.2328<br /> 1244 O 80 SER 31.0555 2.0436 4.7840<br /> 1245 N 81 ILE 29.2894 2.3818 6.1555<br /> 1246 H 81 ILE 28.5656 2.9706 6.5152<br /> 1247 CA 81 ILE 29.3308 1.0441 6.7213<br /> 1248 HA 81 ILE 30.3500 0.8657 7.0638<br /> 1249 CB 81 ILE 28.4192 0.9522 7.9466<br /> 1250 HB 81 ILE 27.5579 1.5993 7.7808<br /> 1251 CG2 81 ILE 27.8869 -0.4707 8.1285<br /> 1252 HG21 81 ILE 27.6036 -0.6221 9.1701<br /> 1253 HG22 81 ILE 27.0155 -0.6171 7.4900<br /> 1254 HG23 81 ILE 28.6621 -1.1863 7.8549<br /> 1255 CG1 81 ILE 29.1329 1.4619 9.2004<br /> 1256 HG12 81 ILE 29.5143 2.4673 9.0226<br /> 1257 HG13 81 ILE 28.4228 1.5314 10.0244<br /> 1258 CD1 81 ILE 30.2857 0.5346 9.5902<br /> 1259 HD11 81 ILE 31.0405 0.5431 8.8040<br /> 1260 HD12 81 ILE 30.7297 0.8796 10.5239<br /> 1261 HD13 81 ILE 29.9081 -0.4796 9.7204<br /> 1262 C 81 ILE 28.9999 0.0233 5.6306<br /> 1263 O 81 ILE 29.7634 -0.9128 5.3993<br /> 1264 N 82 PRO 27.8305 0.2442 4.9724<br /> 1265 CD 82 PRO 26.9009 1.3426 5.2195<br /> 1266 CA 82 PRO 27.3891 -0.6453 3.9117<br /> 1267 HA 82 PRO 27.5517 -1.5983 4.1679<br /> 1268 CB 82 PRO 25.9073 -0.3520 3.7433<br /> 1269 HB2 82 PRO 25.6291 -0.3386 2.6895<br /> 1270 HB3 82 PRO 25.3001 -1.1194 4.2235<br /> 1271 CG 82 PRO 25.6758 1.0064 4.3851<br /> 1272 HG2 82 PRO 25.5136 1.7669 3.6212<br /> 1273 HG3 82 PRO 24.7825 0.9863 5.0093<br /> 1274 HD2 82 PRO 27.3311 2.2995 4.9237<br /> 1275 HD3 82 PRO 26.6507 1.4191 6.2775<br /> 1276 C 82 PRO 28.1939 -0.4135 2.6312<br /> 1277 O 82 PRO 28.0721 -1.1728 1.6712<br /> 1278 N 83 LEU 28.9984 0.6388 2.6584<br /> 1279 H 83 LEU 29.0916 1.2514 3.4432<br /> 1280 CA 83 LEU 29.8232 0.9801 1.5118<br /> 1281 HA 83 LEU 29.2726 0.6924 0.6161<br /> 1282 CB 83 LEU 30.0431 2.4926 1.4412<br /> 1283 HB2 83 LEU 29.5957 2.9465 2.3255<br /> 1284 HB3 83 LEU 31.1146 2.6866 1.4909<br /> 1285 CG 83 LEU 29.4828 3.1948 0.2027<br /> 1286 HG 83 LEU 29.8686 4.2140 0.1839<br /> 1287 CD1 83 LEU 29.9582 2.5080 -1.0791<br /> 1288 HD11 83 LEU 31.0091 2.2368 -0.9776<br /> 1289 HD12 83 LEU 29.3659 1.6091 -1.2508<br /> 1290 HD13 83 LEU 29.8382 3.1886 -1.9220<br /> 1291 CD2 83 LEU 27.9572 3.2904 0.2697<br /> 1292 HD21 83 LEU 27.5176 2.5816 -0.4321<br /> 1293 HD22 83 LEU 27.6225 3.0562 1.2803<br /> 1294 HD23 83 LEU 27.6448 4.3015 0.0086<br /> 1295 C 83 LEU 31.1211 0.1717 1.5639<br /> 1296 O 83 LEU 31.8623 0.1170 0.5837<br /> 1297 N 84 LEU 31.3564 -0.4359 2.7175<br /> 1298 H 84 LEU 30.7484 -0.3862 3.5099<br /> 1299 CA 84 LEU 32.5520 -1.2389 2.9103<br /> 1300 HA 84 LEU 33.2173 -1.0412 2.0698<br /> 1301 CB 84 LEU 33.2877 -0.8079 4.1807<br /> 1302 HB2 84 LEU 33.8093 0.1269 3.9753<br /> 1303 HB3 84 LEU 32.5468 -0.5968 4.9518<br /> 1304 CG 84 LEU 34.2976 -1.8101 4.7435<br /> 1305 HG 84 LEU 33.7497 -2.6786 5.1090<br /> 1306 CD1 84 LEU 35.2484 -2.3027 3.6508<br /> 1307 HD11 84 LEU 35.0223 -3.3425 3.4141<br /> 1308 HD12 84 LEU 35.1229 -1.6912 2.7571<br /> 1309 HD13 84 LEU 36.2773 -2.2254 4.0023<br /> 1310 CD2 84 LEU 35.0521 -1.2175 5.9353<br /> 1311 HD21 84 LEU 34.3453 -0.7297 6.6067<br /> 1312 HD22 84 LEU 35.5704 -2.0138 6.4697<br /> 1313 HD23 84 LEU 35.7782 -0.4869 5.5788<br /> 1314 C 84 LEU 32.1739 -2.7213 2.8914<br /> 1315 O 84 LEU 32.9148 -3.5478 2.3614<br /> 1316 N 85 ILE 31.0213 -3.0127 3.4762<br /> 1317 H 85 ILE 30.4246 -2.3344 3.9050<br /> 1318 CA 85 ILE 30.5359 -4.3811 3.5333<br /> 1319 HA 85 ILE 31.2869 -4.9725 4.0569<br /> 1320 CB 85 ILE 29.2466 -4.4585 4.3534<br /> 1321 HB 85 ILE 28.5175 -3.7817 3.9081<br /> 1322 CG2 85 ILE 28.6476 -5.8654 4.3018<br /> 1323 HG21 85 ILE 28.4204 -6.1257 3.2680<br /> 1324 HG22 85 ILE 29.3637 -6.5803 4.7074<br /> 1325 HG23 85 ILE 27.7325 -5.8926 4.8931<br /> 1326 CG1 85 ILE 29.4817 -3.9878 5.7902<br /> 1327 HG12 85 ILE 29.7681 -2.9362 5.7899<br /> 1328 HG13 85 ILE 28.5548 -4.0655 6.3583<br /> 1329 CD1 85 ILE 30.5729 -4.8191 6.4678<br /> 1330 HD11 85 ILE 30.6713 -4.5104 7.5084<br /> 1331 HD12 85 ILE 30.3043 -5.8747 6.4258<br /> 1332 HD13 85 ILE 31.5205 -4.6646 5.9517<br /> 1333 C 85 ILE 30.3938 -4.9269 2.1110<br /> 1334 O 85 ILE 30.5414 -6.1270 1.8853<br /> 1335 N 86 ASP 30.1088 -4.0193 1.1889<br /> 1336 H 86 ASP 29.9903 -3.0451 1.3809<br /> 1337 CA 86 ASP 29.9450 -4.3947 -0.2053<br /> 1338 HA 86 ASP 29.2669 -5.2479 -0.1943<br /> 1339 CB 86 ASP 29.3531 -3.2430 -1.0199<br /> 1340 HB2 86 ASP 28.3328 -3.0645 -0.6804<br /> 1341 HB3 86 ASP 29.9223 -2.3378 -0.8082<br /> 1342 CG 86 ASP 29.3330 -3.4650 -2.5336<br /> 1343 OD1 86 ASP 30.0528 -2.7142 -3.2269<br /> 1344 OD2 86 ASP 28.5982 -4.3804 -2.9632<br /> 1345 C 86 ASP 31.3117 -4.7408 -0.7996<br /> 1346 O 86 ASP 31.3963 -5.4628 -1.7919<br /> 1347 N 87 HIS 32.3479 -4.2094 -0.1677<br /> 1348 H 87 HIS 32.2705 -3.6231 0.6387<br /> 1349 CA 87 HIS 33.7066 -4.4529 -0.6216<br /> 1350 HA 87 HIS 33.7039 -4.3178 -1.7032<br /> 1351 CB 87 HIS 34.6709 -3.4256 -0.0254<br /> 1352 HB2 87 HIS 34.3717 -2.4295 -0.3516<br /> 1353 HB3 87 HIS 34.5811 -3.4457 1.0607<br /> 1354 CG 87 HIS 36.1163 -3.6497 -0.4011<br /> 1355 ND1 87 HIS 36.6267 -3.3234 -1.6455<br /> 1356 CD2 87 HIS 37.1533 -4.1693 0.3164<br /> 1357 HD1 87 HIS 36.1116 -2.9192 -2.4013<br /> 1358 CE1 87 HIS 37.9136 -3.6378 -1.6652<br /> 1359 NE2 87 HIS 38.2379 -4.1624 -0.4486<br /> 1360 HD2 87 HIS 37.1000 -4.5294 1.3438<br /> 1361 HE1 87 HIS 38.5938 -3.5011 -2.5059<br /> 1362 C 87 HIS 34.1040 -5.8952 -0.3009<br /> 1363 O 87 HIS 34.4942 -6.6482 -1.1918<br /> 1364 N 88 LEU 33.9911 -6.2365 0.9743<br /> 1365 H 88 LEU 33.6729 -5.6179 1.6927<br /> 1366 CA 88 LEU 34.3337 -7.5750 1.4239<br /> 1367 HA 88 LEU 35.3451 -7.7873 1.0772<br /> 1368 CB 88 LEU 34.3572 -7.6372 2.9525<br /> 1369 HB2 88 LEU 33.7584 -6.8126 3.3392<br /> 1370 HB3 88 LEU 33.8693 -8.5600 3.2663<br /> 1371 CG 88 LEU 35.7398 -7.5766 3.6051<br /> 1372 HG 88 LEU 36.3904 -8.2858 3.0935<br /> 1373 CD1 88 LEU 36.3641 -6.1898 3.4391<br /> 1374 HD11 88 LEU 35.6838 -5.5500 2.8769<br /> 1375 HD12 88 LEU 36.5453 -5.7529 4.4213<br /> 1376 HD13 88 LEU 37.3080 -6.2781 2.9011<br /> 1377 CD2 88 LEU 35.6724 -8.0029 5.0729<br /> 1378 HD21 88 LEU 35.1050 -7.2649 5.6400<br /> 1379 HD22 88 LEU 35.1822 -8.9736 5.1473<br /> 1380 HD23 88 LEU 36.6822 -8.0739 5.4773<br /> 1381 C 88 LEU 33.3793 -8.5839 0.7820<br /> 1382 O 88 LEU 33.7213 -9.7551 0.6261<br /> 1383 N 89 LEU 32.2011 -8.0926 0.4271<br /> 1384 H 89 LEU 31.9308 -7.1387 0.5575<br /> 1385 CA 89 LEU 31.1948 -8.9366 -0.1944<br /> 1386 HA 89 LEU 31.2680 -9.9232 0.2631<br /> 1387 CB 89 LEU 29.7914 -8.4037 0.1017<br /> 1388 HB2 89 LEU 29.8697 -7.3427 0.3388<br /> 1389 HB3 89 LEU 29.1948 -8.4841 -0.8070<br /> 1390 CG 89 LEU 29.0364 -9.0973 1.2375<br /> 1391 HG 89 LEU 29.6246 -8.9973 2.1496<br /> 1392 CD1 89 LEU 27.6882 -8.4208 1.4928<br /> 1393 HD11 89 LEU 27.8134 -7.6276 2.2298<br /> 1394 HD12 89 LEU 27.3128 -7.9958 0.5618<br /> 1395 HD13 89 LEU 26.9775 -9.1571 1.8685<br /> 1396 CD2 89 LEU 28.8833 -10.5941 0.9603<br /> 1397 HD21 89 LEU 27.8758 -10.7950 0.5959<br /> 1398 HD22 89 LEU 29.6098 -10.9005 0.2075<br /> 1399 HD23 89 LEU 29.0553 -11.1533 1.8800<br /> 1400 C 89 LEU 31.4993 -9.0707 -1.6877<br /> 1401 O 89 LEU 31.3081 -10.1368 -2.2706<br /> 1402 N 90 SER 31.9682 -7.9738 -2.2642<br /> 1403 H 90 SER 32.1208 -7.1107 -1.7830<br /> 1404 CA 90 SER 32.3010 -7.9555 -3.6785<br /> 1405 HA 90 SER 31.5130 -8.5277 -4.1679<br /> 1406 CB 90 SER 32.3065 -6.5263 -4.2245<br /> 1407 HB2 90 SER 31.3816 -6.0253 -3.9384<br /> 1408 HB3 90 SER 33.1250 -5.9678 -3.7705<br /> 1409 OG 90 SER 32.4420 -6.4971 -5.6428<br /> 1410 HG 90 SER 33.3697 -6.2192 -5.8921<br /> 1411 C 90 SER 33.6630 -8.6151 -3.9042<br /> 1412 O 90 SER 33.8959 -9.2261 -4.9460<br /> 1413 N 91 THR 34.5272 -8.4693 -2.9106<br /> 1414 H 91 THR 34.3298 -7.9708 -2.0665<br /> 1415 CA 91 THR 35.8598 -9.0433 -2.9874<br /> 1416 HA 91 THR 36.1044 -9.2044 -4.0373<br /> 1417 CB 91 THR 36.8427 -8.0391 -2.3822<br /> 1418 HB 91 THR 37.8712 -8.3776 -2.5070<br /> 1419 OG1 91 THR 36.4310 -7.9265 -1.0227<br /> 1420 HG1 91 THR 35.4566 -8.1365 -0.9419<br /> 1421 CG2 91 THR 36.6594 -6.6282 -2.9451<br /> 1422 HG21 91 THR 37.6182 -6.1098 -2.9455<br /> 1423 HG22 91 THR 36.2796 -6.6904 -3.9649<br /> 1424 HG23 91 THR 35.9498 -6.0793 -2.3260<br /> 1425 C 91 THR 35.8912 -10.4117 -2.3040<br /> 1426 O 91 THR 36.7880 -11.2150 -2.5560<br /> 1427 N 92 GLN 34.9011 -10.6351 -1.4525<br /> 1428 H 92 GLN 34.1756 -9.9764 -1.2532<br /> 1429 CA 92 GLN 34.8040 -11.8925 -0.7308<br /> 1430 HA 92 GLN 33.9855 -11.7582 -0.0236<br /> 1431 CB 92 GLN 34.4635 -13.0439 -1.6790<br /> 1432 HB2 92 GLN 35.2122 -13.1027 -2.4691<br /> 1433 HB3 92 GLN 34.4977 -13.9888 -1.1366<br /> 1434 CG 92 GLN 33.0765 -12.8539 -2.2964<br /> 1435 HG2 92 GLN 32.8951 -11.7937 -2.4724<br /> 1436 HG3 92 GLN 33.0352 -13.3499 -3.2661<br /> 1437 CD 92 GLN 31.9873 -13.4183 -1.3819<br /> 1438 OE1 92 GLN 31.6763 -14.5980 -1.3987<br /> 1439 NE2 92 GLN 31.4272 -12.5128 -0.5850<br /> 1440 HE21 92 GLN 31.7290 -11.5600 -0.6210<br /> 1441 HE22 92 GLN 30.7042 -12.7846 0.0501<br /> 1442 C 92 GLN 36.1039 -12.1719 0.0262<br /> 1443 O 92 GLN 36.6952 -13.2403 -0.1216<br /> 1444 N 93 GLN 36.5107 -11.1928 0.8207<br /> 1445 H 93 GLN 36.0239 -10.3268 0.9353<br /> 1446 CA 93 GLN 37.7297 -11.3198 1.6012<br /> 1447 HA 93 GLN 38.2422 -12.1933 1.1980<br /> 1448 CB 93 GLN 38.6229 -10.0899 1.4272<br /> 1449 HB2 93 GLN 39.5135 -10.1921 2.0474<br /> 1450 HB3 93 GLN 38.9607 -10.0245 0.3929<br /> 1451 CG 93 GLN 37.8744 -8.8106 1.8069<br /> 1452 HG2 93 GLN 36.8881 -8.8109 1.3430<br /> 1453 HG3 93 GLN 37.7196 -8.7822 2.8854<br /> 1454 CD 93 GLN 38.6516 -7.5690 1.3648<br /> 1455 OE1 93 GLN 38.8989 -6.6537 2.1327<br /> 1456 NE2 93 GLN 39.0217 -7.5888 0.0875<br /> 1457 HE21 93 GLN 38.7866 -8.3713 -0.4892<br /> 1458 HE22 93 GLN 39.5351 -6.8212 -0.2963<br /> 1459 C 93 GLN 37.3942 -11.5495 3.0762<br /> 1460 O 93 GLN 36.3335 -11.1408 3.5461<br /> 1461 N 94 PRO 38.3425 -12.2201 3.7838<br /> 1462 CD 94 PRO 39.6107 -12.7192 3.2603<br /> 1463 CA 94 PRO 38.1580 -12.5090 5.1957<br /> 1464 HA 94 PRO 37.2187 -12.8051 5.3695<br /> 1465 CB 94 PRO 39.1617 -13.6072 5.5070<br /> 1466 HB2 94 PRO 39.6368 -13.4395 6.4736<br /> 1467 HB3 94 PRO 38.6731 -14.5803 5.5566<br /> 1468 CG 94 PRO 40.1845 -13.5678 4.3832<br /> 1469 HG2 94 PRO 41.1252 -13.1465 4.7378<br /> 1470 HG3 94 PRO 40.4004 -14.5755 4.0282<br /> 1471 HD2 94 PRO 40.2815 -11.9003 3.0004<br /> 1472 HD3 94 PRO 39.4614 -13.3081 2.3555<br /> 1473 C 94 PRO 38.3640 -11.2525 6.0440<br /> 1474 O 94 PRO 39.4150 -10.6172 5.9738<br /> 1475 N 95 LEU 37.3441 -10.9316 6.8264<br /> 1476 H 95 LEU 36.4928 -11.4537 6.8777<br /> 1477 CA 95 LEU 37.4002 -9.7626 7.6875<br /> 1478 HA 95 LEU 37.4132 -8.8830 7.0438<br /> 1479 CB 95 LEU 36.1405 -9.6724 8.5512<br /> 1480 HB2 95 LEU 36.0391 -10.6032 9.1093<br /> 1481 HB3 95 LEU 36.2816 -8.8763 9.2823<br /> 1482 CG 95 LEU 34.8313 -9.4136 7.8029<br /> 1483 HG 95 LEU 35.0083 -9.5739 6.7394<br /> 1484 CD1 95 LEU 33.7479 -10.4036 8.2350<br /> 1485 HD11 95 LEU 33.6633 -11.1968 7.4922<br /> 1486 HD12 95 LEU 34.0146 -10.8360 9.1995<br /> 1487 HD13 95 LEU 32.7939 -9.8835 8.3216<br /> 1488 CD2 95 LEU 34.3809 -7.9612 7.9720<br /> 1489 HD21 95 LEU 35.2326 -7.3489 8.2688<br /> 1490 HD22 95 LEU 33.9800 -7.5927 7.0277<br /> 1491 HD23 95 LEU 33.6094 -7.9072 8.7401<br /> 1492 C 95 LEU 38.6991 -9.7915 8.4955<br /> 1493 O 95 LEU 39.2888 -8.7468 8.7671<br /> 1494 N 96 THR 39.1068 -10.9992 8.8571<br /> 1495 H 96 THR 38.6212 -11.8439 8.6321<br /> 1496 CA 96 THR 40.3250 -11.1780 9.6286<br /> 1497 HA 96 THR 41.0219 -10.3844 9.3592<br /> 1498 CB 96 THR 39.9669 -11.0617 11.1115<br /> 1499 HB 96 THR 40.8655 -11.0262 11.7273<br /> 1500 OG1 96 THR 39.1397 -12.1953 11.3588<br /> 1501 HG1 96 THR 38.9424 -12.2681 12.3364<br /> 1502 CG2 96 THR 39.0573 -9.8662 11.4023<br /> 1503 HG21 96 THR 38.8743 -9.8013 12.4748<br /> 1504 HG22 96 THR 39.5400 -8.9508 11.0600<br /> 1505 HG23 96 THR 38.1098 -9.9948 10.8791<br /> 1506 C 96 THR 40.9949 -12.5053 9.2675<br /> 1507 O 96 THR 40.3206 -13.5213 9.1058<br /> 1508 N 97 LYS 42.3137 -12.4535 9.1517<br /> 1509 H 97 LYS 42.8546 -11.6230 9.2849<br /> 1510 CA 97 LYS 43.0823 -13.6391 8.8127<br /> 1511 HA 97 LYS 42.6755 -14.0375 7.8833<br /> 1512 CB 97 LYS 44.5436 -13.2722 8.5463<br /> 1513 HB2 97 LYS 44.9149 -12.6349 9.3487<br /> 1514 HB3 97 LYS 45.1550 -14.1746 8.5481<br /> 1515 CG 97 LYS 44.6922 -12.5515 7.2048<br /> 1516 HG2 97 LYS 44.0125 -11.7002 7.1681<br /> 1517 HG3 97 LYS 45.7035 -12.1562 7.1105<br /> 1518 CD 97 LYS 44.3974 -13.4973 6.0388<br /> 1519 HD2 97 LYS 45.0866 -14.3413 6.0672<br /> 1520 HD3 97 LYS 43.3913 -13.9039 6.1411<br /> 1521 CE 97 LYS 44.5263 -12.7714 4.6981<br /> 1522 HE2 97 LYS 43.6396 -12.1628 4.5207<br /> 1523 HE3 97 LYS 45.3786 -12.0925 4.7260<br /> 1524 NZ 97 LYS 44.6959 -13.7446 3.5961<br /> 1525 HZ1 97 LYS 43.8885 -13.7244 3.0063<br /> 1526 HZ2 97 LYS 45.5058 -13.5044 3.0609<br /> 1527 HZ3 97 LYS 44.8080 -14.6627 3.9764<br /> 1528 C 97 LYS 42.9022 -14.6895 9.9105<br /> 1529 O 97 LYS 43.1513 -15.8734 9.6887<br /> 1530 N 98 LYS 42.4708 -14.2181 11.0711<br /> 1531 H 98 LYS 42.2705 -13.2536 11.2433<br /> 1532 CA 98 LYS 42.2545 -15.1019 12.2040<br /> 1533 HA 98 LYS 43.0434 -15.8537 12.1871<br /> 1534 CB 98 LYS 42.3921 -14.3313 13.5186<br /> 1535 HB2 98 LYS 43.1976 -13.6019 13.4348<br /> 1536 HB3 98 LYS 41.4766 -13.7731 13.7146<br /> 1537 CG 98 LYS 42.6761 -15.2813 14.6839<br /> 1538 HG2 98 LYS 43.4144 -16.0237 14.3808<br /> 1539 HG3 98 LYS 43.1074 -14.7239 15.5153<br /> 1540 CD 98 LYS 41.3968 -15.9840 15.1428<br /> 1541 HD2 98 LYS 40.5961 -15.2528 15.2546<br /> 1542 HD3 98 LYS 41.0751 -16.6949 14.3817<br /> 1543 CE 98 LYS 41.6177 -16.7137 16.4693<br /> 1544 HE2 98 LYS 41.8561 -15.9935 17.2520<br /> 1545 HE3 98 LYS 40.7002 -17.2194 16.7700<br /> 1546 NZ 98 LYS 42.7151 -17.6987 16.3424<br /> 1547 HZ1 98 LYS 42.5826 -18.2401 15.5121<br /> 1548 HZ2 98 LYS 43.5903 -17.2178 16.2908<br /> 1549 HZ3 98 LYS 42.7136 -18.3037 17.1387<br /> 1550 C 98 LYS 40.9072 -15.8089 12.0437<br /> 1551 O 98 LYS 40.8587 -17.0200 11.8340<br /> 1552 N 99 SER 39.8461 -15.0224 12.1486<br /> 1553 H 99 SER 39.8942 -14.0383 12.3193<br /> 1554 CA 99 SER 38.5017 -15.5580 12.0179<br /> 1555 HA 99 SER 38.4258 -16.3357 12.7777<br /> 1556 CB 99 SER 37.4506 -14.4792 12.2866<br /> 1557 HB2 99 SER 36.5071 -14.9523 12.5593<br /> 1558 HB3 99 SER 37.7615 -13.8741 13.1381<br /> 1559 OG 99 SER 37.2487 -13.6370 11.1550<br /> 1560 HG 99 SER 36.9509 -12.7299 11.4525<br /> 1561 C 99 SER 38.3083 -16.1512 10.6209<br /> 1562 O 99 SER 37.7784 -17.2520 10.4779<br /> 1563 N 100 GLY 38.7486 -15.3953 9.6258<br /> 1564 H 100 GLY 39.1784 -14.5012 9.7507<br /> 1565 CA 100 GLY 38.6306 -15.8325 8.2451<br /> 1566 HA2 100 GLY 39.3807 -15.3291 7.6352<br /> 1567 HA3 100 GLY 38.8320 -16.9017 8.1800<br /> 1568 C 100 GLY 37.2344 -15.5364 7.6936<br /> 1569 O 100 GLY 36.9295 -15.8759 6.5514<br /> 1570 N 101 VAL 36.4236 -14.9065 8.5309<br /> 1571 H 101 VAL 36.6795 -14.6339 9.4584<br /> 1572 CA 101 VAL 35.0670 -14.5609 8.1415<br /> 1573 HA 101 VAL 34.5909 -15.4675 7.7683<br /> 1574 CB 101 VAL 34.2790 -14.0795 9.3615<br /> 1575 HB 101 VAL 34.7797 -13.1955 9.7564<br /> 1576 CG1 101 VAL 32.8551 -13.6784 8.9710<br /> 1577 HG11 101 VAL 32.2568 -13.5399 9.8716<br /> 1578 HG12 101 VAL 32.8821 -12.7468 8.4059<br /> 1579 HG13 101 VAL 32.4120 -14.4629 8.3575<br /> 1580 CG2 101 VAL 34.2671 -15.1433 10.4611<br /> 1581 HG21 101 VAL 34.9892 -14.8762 11.2327<br /> 1582 HG22 101 VAL 33.2710 -15.2008 10.9001<br /> 1583 HG23 101 VAL 34.5324 -16.1103 10.0341<br /> 1584 C 101 VAL 35.1123 -13.5282 7.0135<br /> 1585 O 101 VAL 35.9470 -12.6248 7.0273<br /> 1586 N 102 VAL 34.2041 -13.6964 6.0637<br /> 1587 H 102 VAL 33.5287 -14.4338 6.0601<br /> 1588 CA 102 VAL 34.1298 -12.7901 4.9303<br /> 1589 HA 102 VAL 34.8204 -11.9686 5.1203<br /> 1590 CB 102 VAL 34.5842 -13.5063 3.6569<br /> 1591 HB 102 VAL 33.7044 -13.9470 3.1882<br /> 1592 CG1 102 VAL 35.2018 -12.5199 2.6638<br /> 1593 HG11 102 VAL 35.0223 -11.5004 3.0052<br /> 1594 HG12 102 VAL 36.2753 -12.6965 2.5961<br /> 1595 HG13 102 VAL 34.7479 -12.6598 1.6828<br /> 1596 CG2 102 VAL 35.5596 -14.6390 3.9834<br /> 1597 HG21 102 VAL 36.3972 -14.2430 4.5576<br /> 1598 HG22 102 VAL 35.0468 -15.4026 4.5684<br /> 1599 HG23 102 VAL 35.9295 -15.0784 3.0571<br /> 1600 C 102 VAL 32.7112 -12.2267 4.8255<br /> 1601 O 102 VAL 31.7526 -12.8645 5.2583<br /> 1602 N 103 LEU 32.6223 -11.0375 4.2483<br /> 1603 H 103 LEU 33.4069 -10.5254 3.8990<br /> 1604 CA 103 LEU 31.3368 -10.3810 4.0811<br /> 1605 HA 103 LEU 30.6928 -10.7112 4.8961<br /> 1606 CB 103 LEU 31.4889 -8.8641 4.2111<br /> 1607 HB2 103 LEU 32.5108 -8.5969 3.9416<br /> 1608 HB3 103 LEU 30.8326 -8.3893 3.4818<br /> 1609 CG 103 LEU 31.1840 -8.2751 5.5899<br /> 1610 HG 103 LEU 30.3058 -8.7811 5.9908<br /> 1611 CD1 103 LEU 32.3366 -8.5315 6.5627<br /> 1612 HD11 103 LEU 32.0089 -8.3147 7.5795<br /> 1613 HD12 103 LEU 32.6441 -9.5751 6.4948<br /> 1614 HD13 103 LEU 33.1781 -7.8875 6.3069<br /> 1615 CD2 103 LEU 30.8409 -6.7876 5.4870<br /> 1616 HD21 103 LEU 30.2515 -6.6121 4.5870<br /> 1617 HD22 103 LEU 30.2658 -6.4860 6.3625<br /> 1618 HD23 103 LEU 31.7609 -6.2051 5.4383<br /> 1619 C 103 LEU 30.7105 -10.8251 2.7577<br /> 1620 O 103 LEU 31.1116 -10.3624 1.6909<br /> 1621 N 104 HIS 29.7374 -11.7171 2.8702<br /> 1622 H 104 HIS 29.4171 -12.0883 3.7418<br /> 1623 CA 104 HIS 29.0517 -12.2288 1.6958<br /> 1624 HA 104 HIS 29.8066 -12.3430 0.9179<br /> 1625 CB 104 HIS 28.4555 -13.6101 1.9737<br /> 1626 HB2 104 HIS 29.0425 -14.0981 2.7517<br /> 1627 HB3 104 HIS 27.4461 -13.4867 2.3660<br /> 1628 CG 104 HIS 28.4030 -14.5112 0.7630<br /> 1629 ND1 104 HIS 28.3794 -14.0254 -0.5327<br /> 1630 CD2 104 HIS 28.3708 -15.8713 0.6650<br /> 1631 HD1 104 HIS 28.3940 -13.0608 -0.7961<br /> 1632 CE1 104 HIS 28.3340 -15.0553 -1.3648<br /> 1633 NE2 104 HIS 28.3282 -16.1984 -0.6207<br /> 1634 HD2 104 HIS 28.3785 -16.5706 1.5010<br /> 1635 HE1 104 HIS 28.3063 -14.9992 -2.4531<br /> 1636 C 104 HIS 28.0056 -11.2143 1.2295<br /> 1637 O 104 HIS 28.0178 -10.7906 0.0748<br /> 1638 N 105 ARG 27.1252 -10.8542 2.1518<br /> 1639 H 105 ARG 27.1222 -11.2035 3.0887<br /> 1640 CA 105 ARG 26.0741 -9.8974 1.8499<br /> 1641 HA 105 ARG 26.5601 -9.1308 1.2463<br /> 1642 CB 105 ARG 24.9407 -10.5552 1.0603<br /> 1643 HB2 105 ARG 25.3529 -11.1001 0.2111<br /> 1644 HB3 105 ARG 24.4299 -11.2844 1.6893<br /> 1645 CG 105 ARG 23.9390 -9.5101 0.5651<br /> 1646 HG2 105 ARG 23.5973 -8.9029 1.4032<br /> 1647 HG3 105 ARG 24.4287 -8.8363 -0.1379<br /> 1648 CD 105 ARG 22.7395 -10.1774 -0.1109<br /> 1649 HD2 105 ARG 23.0780 -10.9984 -0.7428<br /> 1650 HD3 105 ARG 22.0792 -10.6066 0.6428<br /> 1651 NE 105 ARG 22.0004 -9.1859 -0.9238<br /> 1652 HE 105 ARG 22.1972 -8.2169 -0.7743<br /> 1653 CZ 105 ARG 21.0842 -9.5053 -1.8479<br /> 1654 NH1 105 ARG 20.4634 -8.5388 -2.5381<br /> 1655 HH11 105 ARG 19.7797 -8.7771 -3.2278<br /> 1656 HH12 105 ARG 20.6839 -7.5791 -2.3634<br /> 1657 NH2 105 ARG 20.7887 -10.7911 -2.0820<br /> 1658 HH21 105 ARG 20.1048 -11.0294 -2.7718<br /> 1659 HH22 105 ARG 21.2519 -11.5124 -1.5671<br /> 1660 C 105 ARG 25.5089 -9.3044 3.1421<br /> 1661 O 105 ARG 25.4892 -9.9685 4.1773<br /> 1662 N 106 ALA 25.0632 -8.0610 3.0396<br /> 1663 H 106 ALA 25.0829 -7.5278 2.1938<br /> 1664 CA 106 ALA 24.4991 -7.3711 4.1873<br /> 1665 HA 106 ALA 25.0146 -7.7316 5.0775<br /> 1666 CB 106 ALA 24.7449 -5.8672 4.0506<br /> 1667 HB1 106 ALA 23.8725 -5.3961 3.5975<br /> 1668 HB2 106 ALA 24.9194 -5.4365 5.0366<br /> 1669 HB3 106 ALA 25.6178 -5.6975 3.4204<br /> 1670 C 106 ALA 23.0117 -7.7109 4.3008<br /> 1671 O 106 ALA 22.2795 -7.6462 3.3145<br /> 1672 N 107 VAL 22.6092 -8.0656 5.5122<br /> 1673 H 107 VAL 23.2111 -8.1157 6.3091<br /> 1674 CA 107 VAL 21.2222 -8.4157 5.7673<br /> 1675 HA 107 VAL 20.9410 -9.1882 5.0517<br /> 1676 CB 107 VAL 21.0801 -8.9991 7.1746<br /> 1677 HB 107 VAL 21.3703 -8.2277 7.8880<br /> 1678 CG1 107 VAL 19.6282 -9.3851 7.4641<br /> 1679 HG11 107 VAL 18.9814 -8.5261 7.2855<br /> 1680 HG12 107 VAL 19.3327 -10.2047 6.8091<br /> 1681 HG13 107 VAL 19.5361 -9.6993 8.5037<br /> 1682 CG2 107 VAL 22.0147 -10.1947 7.3694<br /> 1683 HG21 107 VAL 21.8416 -10.9238 6.5778<br /> 1684 HG22 107 VAL 23.0502 -9.8562 7.3314<br /> 1685 HG23 107 VAL 21.8184 -10.6556 8.3373<br /> 1686 C 107 VAL 20.3400 -7.1869 5.5377<br /> 1687 O 107 VAL 20.6545 -6.0955 6.0099<br /> 1688 N 108 PRO 19.2242 -7.4114 4.7933<br /> 1689 CD 108 PRO 18.8197 -8.6907 4.2178<br /> 1690 CA 108 PRO 18.2943 -6.3354 4.4953<br /> 1691 HA 108 PRO 18.7929 -5.5008 4.2609<br /> 1692 CB 108 PRO 17.4657 -6.8439 3.3269<br /> 1693 HB2 108 PRO 16.4159 -6.5760 3.4468<br /> 1694 HB3 108 PRO 17.8020 -6.4030 2.3885<br /> 1695 CG 108 PRO 17.6447 -8.3533 3.3146<br /> 1696 HG2 108 PRO 16.7390 -8.8480 3.6655<br /> 1697 HG3 108 PRO 17.8287 -8.7076 2.3004<br /> 1698 HD2 108 PRO 18.5320 -9.4006 4.9934<br /> 1699 HD3 108 PRO 19.6339 -9.1467 3.6547<br /> 1700 C 108 PRO 17.4482 -5.9866 5.7215<br /> 1701 O 108 PRO 17.0641 -6.8696 6.4868<br /> 1702 N 109 SER 17.1824 -4.6971 5.8698<br /> 1703 H 109 SER 17.4986 -3.9852 5.2428<br /> 1704 CA 109 SER 16.3887 -4.2206 6.9898<br /> 1705 HA 109 SER 16.2392 -5.0910 7.6285<br /> 1706 CB 109 SER 17.1341 -3.1372 7.7716<br /> 1707 HB2 109 SER 17.9889 -3.5814 8.2818<br /> 1708 HB3 109 SER 17.5278 -2.3950 7.0773<br /> 1709 OG 109 SER 16.2940 -2.4944 8.7266<br /> 1710 HG 109 SER 15.6986 -3.1671 9.1659<br /> 1711 C 109 SER 15.0458 -3.6849 6.4891<br /> 1712 O 109 SER 14.0385 -3.7721 7.1895<br /> 1713 N 110 GLY 15.0749 -3.1425 5.2806<br /> 1714 H 110 GLY 15.8985 -3.0756 4.7174<br /> 1715 CA 110 GLY 13.8725 -2.5927 4.6779<br /> 1716 HA2 110 GLY 13.7479 -2.9964 3.6731<br /> 1717 HA3 110 GLY 12.9998 -2.8987 5.2548<br /> 1718 C 110 GLY 13.9396 -1.0655 4.6152<br /> 1719 O 110 GLY 14.8920 -0.4617 5.1065<br /> 1720 N 111 PRO 12.8890 -0.4691 3.9906<br /> 1721 CD 111 PRO 11.7434 -1.1523 3.3969<br /> 1722 CA 111 PRO 12.8197 0.9760 3.8573<br /> 1723 HA 111 PRO 13.7163 1.3454 3.6130<br /> 1724 CB 111 PRO 11.7923 1.2215 2.7644<br /> 1725 HB2 111 PRO 11.1481 2.0641 3.0161<br /> 1726 HB3 111 PRO 12.2778 1.4630 1.8189<br /> 1727 CG 111 PRO 10.9887 -0.0638 2.6515<br /> 1728 HG2 111 PRO 9.9934 0.0697 3.0754<br /> 1729 HG3 111 PRO 10.8550 -0.3397 1.6054<br /> 1730 HD2 111 PRO 11.1187 -1.6151 4.1610<br /> 1731 HD3 111 PRO 12.0622 -1.9465 2.7220<br /> 1732 C 111 PRO 12.4457 1.6322 5.1880<br /> 1733 O 111 PRO 11.7032 1.0558 5.9814<br /> 1734 N 112 SER 12.9770 2.8287 5.3911<br /> 1735 H 112 SER 13.5800 3.2906 4.7407<br /> 1736 CA 112 SER 12.7082 3.5695 6.6119<br /> 1737 HA 112 SER 11.9387 2.9991 7.1320<br /> 1738 CB 112 SER 13.9582 3.6568 7.4897<br /> 1739 HB2 112 SER 14.7843 4.0617 6.9049<br /> 1740 HB3 112 SER 13.7776 4.3517 8.3097<br /> 1741 OG 112 SER 14.3294 2.3864 8.0178<br /> 1742 HG 112 SER 13.5235 1.9174 8.3790<br /> 1743 C 112 SER 12.1994 4.9719 6.2717<br /> 1744 O 112 SER 12.8376 5.7008 5.5138<br /> 1745 N 113 SER 11.0550 5.3075 6.8487<br /> 1746 H 113 SER 10.5422 4.7087 7.4639<br /> 1747 CA 113 SER 10.4532 6.6094 6.6162<br /> 1748 HA 113 SER 10.3792 6.7038 5.5329<br /> 1749 CB 113 SER 9.0543 6.6872 7.2308<br /> 1750 HB2 113 SER 9.0922 6.3402 8.2635<br /> 1751 HB3 113 SER 8.7264 7.7263 7.2557<br /> 1752 OG 113 SER 8.1077 5.9086 6.5038<br /> 1753 HG 113 SER 8.2674 4.9352 6.6679<br /> 1754 C 113 SER 11.3476 7.7095 7.1914<br /> 1755 O 113 SER 12.1215 7.4654 8.1158<br /> 1756 N 114 GLY 11.2115 8.8973 6.6205<br /> 1757 H 114 GLY 10.5796 9.0875 5.8691<br /> 1758 CA 114 GLY 11.9976 10.0358 7.0648<br /> 1759 HA2 114 GLY 11.3368 10.8733 7.2885<br /> 1760 HA3 114 GLY 12.5178 9.7844 7.9890<br /> 1761 C 114 GLY 13.0130 10.4508 5.9982<br /> 1762 O 114 GLY 13.9007 11.2600 6.2627<br /> 1 N 1 GLY 1.3951 0.5098 -0.9677<br /> 2 H 1 GLY 0.5783 0.1057 -0.5559<br /> 3 CA 1 GLY 1.1372 1.4809 -2.0174<br /> 4 HA2 1 GLY 1.2503 1.0066 -2.9922<br /> 5 HA3 1 GLY 0.1065 1.8292 -1.9502<br /> 6 C 1 GLY 2.0919 2.6716 -1.9095<br /> 7 O 1 GLY 1.8306 3.6159 -1.1658<br /> 8 N 2 SER 3.1786 2.5880 -2.6627<br /> 9 H 2 SER 3.3836 1.8165 -3.2649<br /> 10 CA 2 SER 4.1737 3.6469 -2.6610<br /> 11 HA 2 SER 3.6753 4.5104 -2.2207<br /> 12 CB 2 SER 5.3827 3.2652 -1.8048<br /> 13 HB2 2 SER 6.1672 4.0113 -1.9321<br /> 14 HB3 2 SER 5.0998 3.2767 -0.7523<br /> 15 OG 2 SER 5.8927 1.9786 -2.1446<br /> 16 HG 2 SER 6.0017 1.9048 -3.1358<br /> 17 C 2 SER 4.6137 3.9537 -4.0940<br /> 18 O 2 SER 4.5641 3.0838 -4.9621<br /> 19 N 3 SER 5.0342 5.1936 -4.2971<br /> 20 H 3 SER 5.0714 5.8951 -3.5855<br /> 21 CA 3 SER 5.4827 5.6261 -5.6098<br /> 22 HA 3 SER 5.7683 4.7132 -6.1324<br /> 23 CB 3 SER 4.3548 6.3198 -6.3762<br /> 24 HB2 3 SER 3.8962 7.0768 -5.7397<br /> 25 HB3 3 SER 4.7692 6.8387 -7.2404<br /> 26 OG 3 SER 3.3582 5.3981 -6.8096<br /> 27 HG 3 SER 3.7866 4.6297 -7.2851<br /> 28 C 3 SER 6.6840 6.5632 -5.4699<br /> 29 O 3 SER 6.8581 7.2049 -4.4350<br /> 30 N 4 GLY 7.4818 6.6123 -6.5265<br /> 31 H 4 GLY 7.3331 6.0871 -7.3644<br /> 32 CA 4 GLY 8.6618 7.4602 -6.5346<br /> 33 HA2 4 GLY 8.7980 7.8903 -7.5268<br /> 34 HA3 4 GLY 8.5215 8.2912 -5.8434<br /> 35 C 4 GLY 9.9096 6.6671 -6.1407<br /> 36 O 4 GLY 10.0701 6.2914 -4.9806<br /> 37 N 5 SER 10.7612 6.4360 -7.1290<br /> 38 H 5 SER 10.6232 6.7451 -8.0700<br /> 39 CA 5 SER 11.9897 5.6944 -6.9003<br /> 40 HA 5 SER 11.7146 4.8800 -6.2303<br /> 41 CB 5 SER 12.5354 5.1162 -8.2075<br /> 42 HB2 5 SER 12.3080 5.7970 -9.0279<br /> 43 HB3 5 SER 13.6211 5.0426 -8.1461<br /> 44 OG 5 SER 11.9885 3.8315 -8.4924<br /> 45 HG 5 SER 11.6818 3.7936 -9.4434<br /> 46 C 5 SER 13.0334 6.6005 -6.2441<br /> 47 O 5 SER 12.8804 7.8209 -6.2301<br /> 48 N 6 SER 14.0713 5.9682 -5.7164<br /> 49 H 6 SER 14.1881 4.9752 -5.7321<br /> 50 CA 6 SER 15.1401 6.7020 -5.0603<br /> 51 HA 6 SER 15.4406 7.4714 -5.7713<br /> 52 CB 6 SER 14.6442 7.3638 -3.7731<br /> 53 HB2 6 SER 15.4177 8.0265 -3.3849<br /> 54 HB3 6 SER 13.7757 7.9836 -3.9953<br /> 55 OG 6 SER 14.2994 6.4039 -2.7779<br /> 56 HG 6 SER 13.9059 6.8631 -1.9815<br /> 57 C 6 SER 16.3101 5.7636 -4.7579<br /> 58 O 6 SER 16.1930 4.5492 -4.9146<br /> 59 N 7 GLY 17.4118 6.3623 -4.3300<br /> 60 H 7 GLY 17.4987 7.3507 -4.2053<br /> 61 CA 7 GLY 18.6021 5.5953 -4.0043<br /> 62 HA2 7 GLY 18.8175 4.8922 -4.8089<br /> 63 HA3 7 GLY 19.4597 6.2635 -3.9269<br /> 64 C 7 GLY 18.4213 4.8342 -2.6894<br /> 65 O 7 GLY 17.7945 5.3370 -1.7581<br /> 66 N 8 GLU 18.9815 3.6340 -2.6554<br /> 67 H 8 GLU 19.4896 3.2323 -3.4173<br /> 68 CA 8 GLU 18.8899 2.7986 -1.4701<br /> 69 HA 8 GLU 18.1538 3.2843 -0.8295<br /> 70 CB 8 GLU 18.3966 1.3947 -1.8256<br /> 71 HB2 8 GLU 17.6751 1.4543 -2.6405<br /> 72 HB3 8 GLU 19.2313 0.7914 -2.1826<br /> 73 CG 8 GLU 17.7517 0.7171 -0.6148<br /> 74 HG2 8 GLU 17.6871 -0.3573 -0.7865<br /> 75 HG3 8 GLU 18.3791 0.8623 0.2645<br /> 76 CD 8 GLU 16.3545 1.2818 -0.3502<br /> 77 OE1 8 GLU 15.5476 1.2699 -1.3048<br /> 78 OE2 8 GLU 16.1250 1.7123 0.8006<br /> 79 C 8 GLU 20.2419 2.7402 -0.7561<br /> 80 O 8 GLU 20.2991 2.5471 0.4574<br /> 81 N 9 VAL 21.2967 2.9107 -1.5394<br /> 82 H 9 VAL 21.2414 3.0672 -2.5255<br /> 83 CA 9 VAL 22.6444 2.8798 -0.9971<br /> 84 HA 9 VAL 22.6856 2.0743 -0.2640<br /> 85 CB 9 VAL 23.6481 2.5618 -2.1074<br /> 86 HB 9 VAL 23.3208 1.6480 -2.6033<br /> 87 CG1 9 VAL 23.6810 3.6783 -3.1529<br /> 88 HG11 9 VAL 22.7581 4.2557 -3.0970<br /> 89 HG12 9 VAL 24.5310 4.3325 -2.9592<br /> 90 HG13 9 VAL 23.7771 3.2423 -4.1472<br /> 91 CG2 9 VAL 25.0424 2.3096 -1.5302<br /> 92 HG21 9 VAL 24.9520 1.9605 -0.5015<br /> 93 HG22 9 VAL 25.5512 1.5528 -2.1273<br /> 94 HG23 9 VAL 25.6171 3.2354 -1.5506<br /> 95 C 9 VAL 22.9353 4.2049 -0.2898<br /> 96 O 9 VAL 23.6840 4.2407 0.6855<br /> 97 N 10 GLN 22.3280 5.2618 -0.8088<br /> 98 H 10 GLN 21.7205 5.2241 -1.6023<br /> 99 CA 10 GLN 22.5124 6.5857 -0.2392<br /> 100 HA 10 GLN 23.5734 6.6521 0.0019<br /> 101 CB 10 GLN 22.1602 7.6738 -1.2554<br /> 102 HB2 10 GLN 21.1170 7.5726 -1.5551<br /> 103 HB3 10 GLN 22.2651 8.6556 -0.7936<br /> 104 CG 10 GLN 23.0617 7.5852 -2.4884<br /> 105 HG2 10 GLN 24.0944 7.4272 -2.1776<br /> 106 HG3 10 GLN 22.7750 6.7238 -3.0916<br /> 107 CD 10 GLN 22.9659 8.8591 -3.3303<br /> 108 OE1 10 GLN 23.7250 9.8003 -3.1673<br /> 109 NE2 10 GLN 21.9934 8.8364 -4.2372<br /> 110 HE21 10 GLN 21.4050 8.0319 -4.3194<br /> 111 HE22 10 GLN 21.8504 9.6238 -4.8369<br /> 112 C 10 GLN 21.6798 6.7358 1.0356<br /> 113 O 10 GLN 21.9472 7.6120 1.8564<br /> 114 N 11 LYS 20.6871 5.8674 1.1616<br /> 115 H 11 LYS 20.4763 5.1577 0.4893<br /> 116 CA 11 LYS 19.8137 5.8923 2.3225<br /> 117 HA 11 LYS 19.2860 6.8460 2.3139<br /> 118 CB 11 LYS 18.7574 4.7900 2.2221<br /> 119 HB2 11 LYS 19.1983 3.8976 1.7780<br /> 120 HB3 11 LYS 18.4184 4.5142 3.2206<br /> 121 CG 11 LYS 17.5644 5.2488 1.3811<br /> 122 HG2 11 LYS 17.8688 6.0659 0.7271<br /> 123 HG3 11 LYS 17.2327 4.4331 0.7387<br /> 124 CD 11 LYS 16.4082 5.7055 2.2729<br /> 125 HD2 11 LYS 16.2344 4.9671 3.0558<br /> 126 HD3 11 LYS 16.6735 6.6392 2.7688<br /> 127 CE 11 LYS 15.1296 5.9010 1.4557<br /> 128 HE2 11 LYS 14.4810 6.6234 1.9514<br /> 129 HE3 11 LYS 15.3760 6.3128 0.4770<br /> 130 NZ 11 LYS 14.4163 4.6144 1.2936<br /> 131 HZ1 11 LYS 14.0090 4.3468 2.1669<br /> 132 HZ2 11 LYS 13.6962 4.7167 0.6073<br /> 133 HZ3 11 LYS 15.0618 3.9105 0.9972<br /> 134 C 11 LYS 20.6609 5.8183 3.5944<br /> 135 O 11 LYS 21.8108 5.3838 3.5542<br /> 136 N 12 PRO 20.0437 6.2607 4.7226<br /> 137 CD 12 PRO 18.6826 6.7820 4.8080<br /> 138 CA 12 PRO 20.7285 6.2487 6.0041<br /> 139 HA 12 PRO 21.6734 6.5575 5.8955<br /> 140 CB 12 PRO 19.9262 7.1899 6.8877<br /> 141 HB2 12 PRO 19.8262 6.7886 7.8962<br /> 142 HB3 12 PRO 20.4199 8.1575 6.9772<br /> 143 CG 12 PRO 18.5676 7.3313 6.2206<br /> 144 HG2 12 PRO 17.8083 6.7864 6.7815<br /> 145 HG3 12 PRO 18.2595 8.3766 6.1999<br /> 146 HD2 12 PRO 17.9465 5.9989 4.6264<br /> 147 HD3 12 PRO 18.5095 7.5605 4.0651<br /> 148 C 12 PRO 20.8146 4.8284 6.5665<br /> 149 O 12 PRO 20.2742 3.8913 5.9812<br /> 150 N 13 LEU 21.4982 4.7139 7.6957<br /> 151 H 13 LEU 21.9348 5.4812 8.1653<br /> 152 CA 13 LEU 21.6620 3.4238 8.3438<br /> 153 HA 13 LEU 21.8249 2.6832 7.5609<br /> 154 CB 13 LEU 22.9079 3.4247 9.2319<br /> 155 HB2 13 LEU 23.7843 3.3079 8.5944<br /> 156 HB3 13 LEU 22.9888 4.4013 9.7092<br /> 157 CG 13 LEU 22.9566 2.3503 10.3203<br /> 158 HG 13 LEU 22.4112 1.4770 9.9627<br /> 159 CD1 13 LEU 24.3958 1.9059 10.5880<br /> 160 HD11 13 LEU 24.4898 1.5844 11.6252<br /> 161 HD12 13 LEU 24.6493 1.0774 9.9264<br /> 162 HD13 13 LEU 25.0738 2.7391 10.4029<br /> 163 CD2 13 LEU 22.2580 2.8288 11.5946<br /> 164 HD21 13 LEU 22.3115 3.9160 11.6520<br /> 165 HD22 13 LEU 21.2137 2.5170 11.5755<br /> 166 HD23 13 LEU 22.7511 2.3943 12.4642<br /> 167 C 13 LEU 20.3752 3.0658 9.0900<br /> 168 O 13 LEU 20.1467 1.9025 9.4180<br /> 169 N 14 HIS 19.5682 4.0872 9.3364<br /> 170 H 14 HIS 19.7614 5.0304 9.0663<br /> 171 CA 14 HIS 18.3102 3.8949 10.0378<br /> 172 HA 14 HIS 18.4182 2.9864 10.6302<br /> 173 CB 14 HIS 18.0438 5.0521 11.0026<br /> 174 HB2 14 HIS 17.0426 4.9413 11.4191<br /> 175 HB3 14 HIS 18.7444 4.9863 11.8350<br /> 176 CG 14 HIS 18.1621 6.4184 10.3704<br /> 177 ND1 14 HIS 17.1535 6.9816 9.6081<br /> 178 CD2 14 HIS 19.1788 7.3273 10.3960<br /> 179 HD1 14 HIS 16.2708 6.5593 9.4020<br /> 180 CE1 14 HIS 17.5563 8.1752 9.1978<br /> 181 NE2 14 HIS 18.8119 8.3874 9.6867<br /> 182 HD2 14 HIS 20.1311 7.2035 10.9116<br /> 183 HE1 14 HIS 16.9847 8.8664 8.5785<br /> 184 C 14 HIS 17.1821 3.6969 9.0234<br /> 185 O 14 HIS 16.0228 3.9875 9.3141<br /> 186 N 15 GLU 17.5614 3.2037 7.8537<br /> 187 H 15 GLU 18.5065 2.9700 7.6253<br /> 188 CA 15 GLU 16.5962 2.9633 6.7944<br /> 189 HA 15 GLU 15.6649 2.7130 7.3023<br /> 190 CB 15 GLU 16.3843 4.2214 5.9500<br /> 191 HB2 15 GLU 17.3460 4.6908 5.7425<br /> 192 HB3 15 GLU 15.9484 3.9495 4.9887<br /> 193 CG 15 GLU 15.4696 5.2159 6.6679<br /> 194 HG2 15 GLU 15.0071 4.7338 7.5291<br /> 195 HG3 15 GLU 16.0602 6.0494 7.0481<br /> 196 CD 15 GLU 14.3839 5.7406 5.7261<br /> 197 OE1 15 GLU 13.3250 6.1472 6.2515<br /> 198 OE2 15 GLU 14.6373 5.7233 4.5022<br /> 199 C 15 GLU 17.0452 1.7880 5.9238<br /> 200 O 15 GLU 16.6005 1.6486 4.7855<br /> 201 N 16 GLN 17.9210 0.9724 6.4925<br /> 202 H 16 GLN 18.2777 1.0929 7.4188<br /> 203 CA 16 GLN 18.4350 -0.1864 5.7824<br /> 204 HA 16 GLN 18.3298 0.0521 4.7241<br /> 205 CB 16 GLN 19.9143 -0.4128 6.1007<br /> 206 HB2 16 GLN 20.0275 -0.6769 7.1522<br /> 207 HB3 16 GLN 20.2908 -1.2539 5.5186<br /> 208 CG 16 GLN 20.7393 0.8382 5.7919<br /> 209 HG2 16 GLN 20.1416 1.7291 5.9848<br /> 210 HG3 16 GLN 21.6017 0.8827 6.4569<br /> 211 CD 16 GLN 21.2102 0.8388 4.3361<br /> 212 OE1 16 GLN 21.5465 -0.1855 3.7650<br /> 213 NE2 16 GLN 21.2153 2.0422 3.7696<br /> 214 HE21 16 GLN 20.9269 2.8431 4.2945<br /> 215 HE22 16 GLN 21.5075 2.1460 2.8189<br /> 216 C 16 GLN 17.6055 -1.4269 6.1202<br /> 217 O 16 GLN 16.5647 -1.3245 6.7676<br /> 218 N 17 LEU 18.0977 -2.5702 5.6665<br /> 219 H 17 LEU 18.9450 -2.6448 5.1406<br /> 220 CA 17 LEU 17.4149 -3.8291 5.9125<br /> 221 HA 17 LEU 16.4992 -3.6027 6.4587<br /> 222 CB 17 LEU 17.0038 -4.4826 4.5916<br /> 223 HB2 17 LEU 16.5866 -5.4657 4.8098<br /> 224 HB3 17 LEU 16.2045 -3.8885 4.1485<br /> 225 CG 17 LEU 18.1138 -4.6497 3.5519<br /> 226 HG 17 LEU 18.7572 -3.7710 3.5949<br /> 227 CD1 17 LEU 18.9864 -5.8649 3.8720<br /> 228 HD11 17 LEU 19.7199 -5.5954 4.6319<br /> 229 HD12 17 LEU 18.3589 -6.6751 4.2438<br /> 230 HD13 17 LEU 19.5019 -6.1903 2.9684<br /> 231 CD2 17 LEU 17.5345 -4.7167 2.1373<br /> 232 HD21 17 LEU 16.4460 -4.7372 2.1911<br /> 233 HD22 17 LEU 17.8540 -3.8412 1.5720<br /> 234 HD23 17 LEU 17.8909 -5.6194 1.6412<br /> 235 C 17 LEU 18.2962 -4.7192 6.7909<br /> 236 O 17 LEU 17.9130 -5.8380 7.1291<br /> 237 N 18 TRP 19.4605 -4.1889 7.1354<br /> 238 H 18 TRP 19.7646 -3.2781 6.8560<br /> 239 CA 18 TRP 20.3995 -4.9213 7.9680<br /> 240 HA 18 TRP 19.9549 -5.8891 8.1995<br /> 241 CB 18 TRP 21.7012 -5.1979 7.2134<br /> 242 HB2 18 TRP 22.4779 -5.4585 7.9325<br /> 243 HB3 18 TRP 21.5587 -6.0660 6.5697<br /> 244 CG 18 TRP 22.1883 -4.0240 6.3616<br /> 245 CD1 18 TRP 22.1585 -3.9045 5.0272<br /> 246 CD2 18 TRP 22.7830 -2.8005 6.8435<br /> 247 CE3 18 TRP 23.0605 -2.3791 8.1559<br /> 248 CE2 18 TRP 23.0800 -2.0058 5.7551<br /> 249 NE1 18 TRP 22.6884 -2.6985 4.6154<br /> 250 HD1 18 TRP 21.7654 -4.6644 4.3519<br /> 251 HE3 18 TRP 22.8356 -2.9878 9.0315<br /> 252 CZ3 18 TRP 23.6504 -1.1129 8.2511<br /> 253 CZ2 18 TRP 23.6701 -0.7413 5.8675<br /> 254 HE1 18 TRP 22.7822 -2.3529 3.5860<br /> 255 HZ3 18 TRP 23.8867 -0.7377 9.2468<br /> 256 CH2 18 TRP 23.9558 -0.3007 7.1653<br /> 257 HZ2 18 TRP 23.8951 -0.1326 4.9917<br /> 258 HH2 18 TRP 24.4156 0.6748 7.3235<br /> 259 C 18 TRP 20.6129 -4.1223 9.2553<br /> 260 O 18 TRP 21.3735 -4.5368 10.1285<br /> 261 N 19 TYR 19.9279 -2.9908 9.3320<br /> 262 H 19 TYR 19.3113 -2.6608 8.6172<br /> 263 CA 19 TYR 20.0329 -2.1300 10.4979<br /> 264 HA 19 TYR 21.0378 -2.2374 10.9060<br /> 265 CB 19 TYR 19.7135 -0.7161 10.0083<br /> 266 HB2 19 TYR 20.5069 -0.3871 9.3370<br /> 267 HB3 19 TYR 18.7934 -0.7438 9.4246<br /> 268 CG 19 TYR 19.5572 0.3109 11.1314<br /> 269 CD1 19 TYR 20.5832 0.5091 12.0331<br /> 270 HD1 19 TYR 21.5050 -0.0661 11.9447<br /> 271 CE1 19 TYR 20.4361 1.4757 13.0902<br /> 272 HE1 19 TYR 21.2385 1.6422 13.8089<br /> 273 CZ 19 TYR 19.2733 2.1763 13.1717<br /> 274 CE2 19 TYR 18.2431 2.0057 12.3003<br /> 275 HE2 19 TYR 17.3268 2.5874 12.4000<br /> 276 CD2 19 TYR 18.3902 1.0391 11.2432<br /> 277 HD2 19 TYR 17.5799 0.8825 10.5311<br /> 278 OH 19 TYR 19.1343 3.0892 14.1701<br /> 279 HH 19 TYR 18.8649 2.6312 15.0172<br /> 280 C 19 TYR 19.0140 -2.5287 11.5675<br /> 281 O 19 TYR 17.9128 -1.9827 11.6151<br /> 282 N 20 HIS 19.4178 -3.4775 12.3993<br /> 283 H 20 HIS 20.3151 -3.9165 12.3538<br /> 284 CA 20 HIS 18.5538 -3.9557 13.4653<br /> 285 HA 20 HIS 17.6195 -4.2640 12.9960<br /> 286 CB 20 HIS 19.1608 -5.1835 14.1470<br /> 287 HB2 20 HIS 20.0884 -4.8916 14.6395<br /> 288 HB3 20 HIS 18.4806 -5.5271 14.9263<br /> 289 CG 20 HIS 19.4462 -6.3300 13.2064<br /> 290 ND1 20 HIS 18.6094 -7.4254 13.0841<br /> 291 CD2 20 HIS 20.4827 -6.5389 12.3447<br /> 292 HD1 20 HIS 17.7573 -7.5697 13.5872<br /> 293 CE1 20 HIS 19.1290 -8.2506 12.1872<br /> 294 NE2 20 HIS 20.2902 -7.6997 11.7306<br /> 295 HD2 20 HIS 21.3260 -5.8665 12.1876<br /> 296 HE1 20 HIS 18.7033 -9.2026 11.8698<br /> 297 C 20 HIS 18.2669 -2.8152 14.4439<br /> 298 O 20 HIS 17.1376 -2.6573 14.9051<br /> 299 N 21 GLY 19.3090 -2.0494 14.7320<br /> 300 H 21 GLY 20.2242 -2.1847 14.3526<br /> 301 CA 21 GLY 19.1833 -0.9281 15.6475<br /> 302 HA2 21 GLY 19.6210 -0.0366 15.1984<br /> 303 HA3 21 GLY 18.1292 -0.7125 15.8216<br /> 304 C 21 GLY 19.8751 -1.2271 16.9791<br /> 305 O 21 GLY 20.7496 -2.0894 17.0485<br /> 306 N 22 ALA 19.4573 -0.4979 18.0033<br /> 307 H 22 ALA 18.7455 0.2014 17.9384<br /> 308 CA 22 ALA 20.0257 -0.6743 19.3289<br /> 309 HA 22 ALA 21.1091 -0.7266 19.2211<br /> 310 CB 22 ALA 19.6748 0.5336 20.1998<br /> 311 HB1 22 ALA 20.3832 0.6044 21.0253<br /> 312 HB2 22 ALA 19.7251 1.4417 19.5989<br /> 313 HB3 22 ALA 18.6663 0.4154 20.5958<br /> 314 C 22 ALA 19.5201 -1.9895 19.9250<br /> 315 O 22 ALA 18.5292 -2.0046 20.6537<br /> 316 N 23 ILE 20.2240 -3.0619 19.5933<br /> 317 H 23 ILE 21.0287 -3.0410 19.0000<br /> 318 CA 23 ILE 19.8589 -4.3789 20.0868<br /> 319 HA 23 ILE 18.9203 -4.2751 20.6311<br /> 320 CB 23 ILE 19.6022 -5.3357 18.9208<br /> 321 HB 23 ILE 19.6105 -6.3549 19.3072<br /> 322 CG2 23 ILE 18.2207 -5.0959 18.3086<br /> 323 HG21 23 ILE 17.4512 -5.3577 19.0348<br /> 324 HG22 23 ILE 18.1212 -4.0449 18.0368<br /> 325 HG23 23 ILE 18.1055 -5.7139 17.4182<br /> 326 CG1 23 ILE 20.7165 -5.2391 17.8767<br /> 327 HG12 23 ILE 20.6528 -4.2819 17.3593<br /> 328 HG13 23 ILE 21.6871 -5.2699 18.3717<br /> 329 CD1 23 ILE 20.6184 -6.3807 16.8628<br /> 330 HD11 23 ILE 21.3359 -6.2156 16.0593<br /> 331 HD12 23 ILE 20.8387 -7.3264 17.3581<br /> 332 HD13 23 ILE 19.6105 -6.4135 16.4491<br /> 333 C 23 ILE 20.9324 -4.8696 21.0602<br /> 334 O 23 ILE 22.0819 -4.4376 20.9916<br /> 335 N 24 PRO 20.5081 -5.7894 21.9678<br /> 336 CD 24 PRO 19.1541 -6.3242 22.0787<br /> 337 CA 24 PRO 21.4200 -6.3435 22.9539<br /> 338 HA 24 PRO 22.0044 -5.6240 23.3292<br /> 339 CB 24 PRO 20.5238 -6.9543 24.0189<br /> 340 HB2 24 PRO 20.9200 -7.9104 24.3614<br /> 341 HB3 24 PRO 20.4573 -6.3057 24.8924<br /> 342 CG 24 PRO 19.1622 -7.1311 23.3667<br /> 343 HG2 24 PRO 18.9723 -8.1841 23.1589<br /> 344 HG3 24 PRO 18.3716 -6.7907 24.0355<br /> 345 HD2 24 PRO 18.9038 -6.9491 21.2214<br /> 346 HD3 24 PRO 18.4145 -5.5246 22.1169<br /> 347 C 24 PRO 22.3674 -7.3606 22.3144<br /> 348 O 24 PRO 21.9950 -8.0508 21.3667<br /> 349 N 25 ARG 23.5739 -7.4211 22.8585<br /> 350 H 25 ARG 23.8688 -6.8562 23.6291<br /> 351 CA 25 ARG 24.5774 -8.3424 22.3530<br /> 352 HA 25 ARG 24.7654 -8.0159 21.3302<br /> 353 CB 25 ARG 25.8625 -8.2646 23.1795<br /> 354 HB2 25 ARG 26.6013 -8.9570 22.7758<br /> 355 HB3 25 ARG 26.2883 -7.2642 23.1033<br /> 356 CG 25 ARG 25.5912 -8.5989 24.6478<br /> 357 HG2 25 ARG 24.9605 -7.8274 25.0895<br /> 358 HG3 25 ARG 25.0411 -9.5374 24.7151<br /> 359 CD 25 ARG 26.8982 -8.7098 25.4354<br /> 360 HD2 25 ARG 27.5876 -7.9251 25.1244<br /> 361 HD3 25 ARG 26.7056 -8.5621 26.4981<br /> 362 NE 25 ARG 27.5118 -10.0382 25.2134<br /> 363 HE 25 ARG 27.0907 -10.6418 24.5364<br /> 364 CZ 25 ARG 28.5963 -10.4827 25.8628<br /> 365 NH1 25 ARG 29.0837 -11.7023 25.5965<br /> 366 HH11 25 ARG 29.8931 -12.0340 26.0810<br /> 367 HH12 25 ARG 28.6380 -12.2806 24.9131<br /> 368 NH2 25 ARG 29.1935 -9.7078 26.7784<br /> 369 HH21 25 ARG 30.0030 -10.0397 27.2630<br /> 370 HH22 25 ARG 28.8298 -8.7977 26.9771<br /> 371 C 25 ARG 24.0452 -9.7765 22.3842<br /> 372 O 25 ARG 24.4924 -10.6252 21.6143<br /> 373 N 26 ALA 23.0977 -10.0028 23.2822<br /> 374 H 26 ALA 22.7395 -9.3069 23.9046<br /> 375 CA 26 ALA 22.4997 -11.3195 23.4237<br /> 376 HA 26 ALA 23.3065 -12.0524 23.4206<br /> 377 CB 26 ALA 21.7621 -11.4043 24.7615<br /> 378 HB1 26 ALA 20.7460 -11.0285 24.6406<br /> 379 HB2 26 ALA 21.7288 -12.4421 25.0929<br /> 380 HB3 26 ALA 22.2860 -10.8024 25.5040<br /> 381 C 26 ALA 21.5784 -11.5873 22.2319<br /> 382 O 26 ALA 21.3249 -12.7400 21.8854<br /> 383 N 27 GLU 21.1026 -10.5031 21.6374<br /> 384 H 27 GLU 21.3137 -9.5691 21.9255<br /> 385 CA 27 GLU 20.2149 -10.6065 20.4917<br /> 386 HA 27 GLU 19.6482 -11.5247 20.6461<br /> 387 CB 27 GLU 19.2469 -9.4228 20.4395<br /> 388 HB2 27 GLU 19.7310 -8.5344 20.8451<br /> 389 HB3 27 GLU 18.9924 -9.2018 19.4030<br /> 390 CG 27 GLU 17.9720 -9.7218 21.2308<br /> 391 HG2 27 GLU 18.2284 -10.2212 22.1651<br /> 392 HG3 27 GLU 17.4759 -8.7877 21.4943<br /> 393 CD 27 GLU 17.0177 -10.6018 20.4209<br /> 394 OE1 27 GLU 15.8166 -10.6044 20.7670<br /> 395 OE2 27 GLU 17.5109 -11.2519 19.4740<br /> 396 C 27 GLU 21.0265 -10.7084 19.1987<br /> 397 O 27 GLU 20.5294 -11.1997 18.1866<br /> 398 N 28 VAL 22.2621 -10.2361 19.2745<br /> 399 H 28 VAL 22.6588 -9.8380 20.1017<br /> 400 CA 28 VAL 23.1474 -10.2678 18.1228<br /> 401 HA 28 VAL 22.6880 -9.6668 17.3381<br /> 402 CB 28 VAL 24.4931 -9.6329 18.4794<br /> 403 HB 28 VAL 24.9304 -10.2100 19.2942<br /> 404 CG1 28 VAL 25.4573 -9.6890 17.2930<br /> 405 HG11 28 VAL 24.8895 -9.7860 16.3676<br /> 406 HG12 28 VAL 26.0489 -8.7741 17.2619<br /> 407 HG13 28 VAL 26.1204 -10.5469 17.4039<br /> 408 CG2 28 VAL 24.3083 -8.1950 18.9685<br /> 409 HG21 28 VAL 23.8015 -7.6120 18.1995<br /> 410 HG22 28 VAL 23.7084 -8.1952 19.8787<br /> 411 HG23 28 VAL 25.2830 -7.7536 19.1759<br /> 412 C 28 VAL 23.2793 -11.7089 17.6260<br /> 413 O 28 VAL 23.1362 -11.9737 16.4333<br /> 414 N 29 ALA 23.5508 -12.6025 18.5657<br /> 415 H 29 ALA 23.6657 -12.3789 19.5336<br /> 416 CA 29 ALA 23.7036 -14.0099 18.2384<br /> 417 HA 29 ALA 24.4149 -14.0840 17.4158<br /> 418 CB 29 ALA 24.2693 -14.7570 19.4478<br /> 419 HB1 29 ALA 24.3950 -14.0619 20.2780<br /> 420 HB2 29 ALA 23.5811 -15.5505 19.7392<br /> 421 HB3 29 ALA 25.2349 -15.1908 19.1878<br /> 422 C 29 ALA 22.3554 -14.5727 17.7838<br /> 423 O 29 ALA 22.3053 -15.5704 17.0661<br /> 424 N 30 GLU 21.2955 -13.9084 18.2204<br /> 425 H 30 GLU 21.3449 -13.0977 18.8039<br /> 426 CA 30 GLU 19.9505 -14.3298 17.8674<br /> 427 HA 30 GLU 19.9179 -15.3992 18.0756<br /> 428 CB 30 GLU 18.9082 -13.6185 18.7326<br /> 429 HB2 30 GLU 18.8978 -12.5547 18.4950<br /> 430 HB3 30 GLU 17.9152 -14.0057 18.5043<br /> 431 CG 30 GLU 19.2071 -13.8113 20.2207<br /> 432 HG2 30 GLU 20.2797 -13.7254 20.3939<br /> 433 HG3 30 GLU 18.7267 -13.0207 20.7971<br /> 434 CD 30 GLU 18.7142 -15.1759 20.7066<br /> 435 OE1 30 GLU 18.1372 -15.9021 19.8686<br /> 436 OE2 30 GLU 18.9256 -15.4619 21.9050<br /> 437 C 30 GLU 19.6898 -14.0821 16.3802<br /> 438 O 30 GLU 18.9693 -14.8440 15.7374<br /> 439 N 31 LEU 20.2901 -13.0136 15.8768<br /> 440 H 31 LEU 20.8746 -12.3990 16.4066<br /> 441 CA 31 LEU 20.1319 -12.6560 14.4774<br /> 442 HA 31 LEU 19.0991 -12.8677 14.2009<br /> 443 CB 31 LEU 20.3546 -11.1553 14.2794<br /> 444 HB2 31 LEU 21.4235 -10.9542 14.3510<br /> 445 HB3 31 LEU 20.0481 -10.8933 13.2667<br /> 446 CG 31 LEU 19.6239 -10.2339 15.2582<br /> 447 HG 31 LEU 19.6789 -10.6786 16.2518<br /> 448 CD1 31 LEU 20.3055 -8.8665 15.3368<br /> 449 HD11 31 LEU 19.5878 -8.1220 15.6815<br /> 450 HD12 31 LEU 21.1409 -8.9165 16.0354<br /> 451 HD13 31 LEU 20.6737 -8.5867 14.3497<br /> 452 CD2 31 LEU 18.1418 -10.1156 14.8974<br /> 453 HD21 31 LEU 18.0114 -10.3015 13.8313<br /> 454 HD22 31 LEU 17.5697 -10.8484 15.4666<br /> 455 HD23 31 LEU 17.7884 -9.1128 15.1374<br /> 456 C 31 LEU 21.0517 -13.5321 13.6245<br /> 457 O 31 LEU 20.7091 -13.8842 12.4968<br /> 458 N 32 LEU 22.2016 -13.8587 14.1957<br /> 459 H 32 LEU 22.4727 -13.5681 15.1133<br /> 460 CA 32 LEU 23.1733 -14.6869 13.5019<br /> 461 HA 32 LEU 23.0734 -14.4840 12.4356<br /> 462 CB 32 LEU 24.5963 -14.2955 13.9055<br /> 463 HB2 32 LEU 24.6065 -14.0939 14.9766<br /> 464 HB3 32 LEU 25.2491 -15.1518 13.7361<br /> 465 CG 32 LEU 25.1901 -13.0856 13.1812<br /> 466 HG 32 LEU 25.1955 -13.2964 12.1119<br /> 467 CD1 32 LEU 24.3250 -11.8415 13.3922<br /> 468 HD11 32 LEU 23.3248 -12.0235 12.9991<br /> 469 HD12 32 LEU 24.2618 -11.6192 14.4575<br /> 470 HD13 32 LEU 24.7721 -10.9952 12.8705<br /> 471 CD2 32 LEU 26.6421 -12.8523 13.6032<br /> 472 HD21 32 LEU 26.6673 -12.4761 14.6260<br /> 473 HD22 32 LEU 27.1920 -13.7918 13.5480<br /> 474 HD23 32 LEU 27.1015 -12.1226 12.9363<br /> 475 C 32 LEU 22.8480 -16.1615 13.7475<br /> 476 O 32 LEU 22.7985 -16.6076 14.8928<br /> 477 N 33 VAL 22.6345 -16.8776 12.6534<br /> 478 H 33 VAL 22.6766 -16.5071 11.7256<br /> 479 CA 33 VAL 22.3153 -18.2928 12.7357<br /> 480 HA 33 VAL 22.3160 -18.5694 13.7899<br /> 481 CB 33 VAL 20.9122 -18.5459 12.1803<br /> 482 HB 33 VAL 20.9430 -18.3794 11.1035<br /> 483 CG1 33 VAL 20.4806 -19.9939 12.4202<br /> 484 HG11 33 VAL 20.5578 -20.2248 13.4827<br /> 485 HG12 33 VAL 19.4488 -20.1243 12.0941<br /> 486 HG13 33 VAL 21.1279 -20.6644 11.8549<br /> 487 CG2 33 VAL 19.9009 -17.5659 12.7784<br /> 488 HG21 33 VAL 20.1959 -16.5453 12.5344<br /> 489 HG22 33 VAL 18.9123 -17.7670 12.3654<br /> 490 HG23 33 VAL 19.8738 -17.6873 13.8612<br /> 491 C 33 VAL 23.3979 -19.0981 12.0144<br /> 492 O 33 VAL 23.9471 -20.0463 12.5732<br /> 493 N 34 HIS 23.6724 -18.6908 10.7839<br /> 494 H 34 HIS 23.2211 -17.9186 10.3368<br /> 495 CA 34 HIS 24.6796 -19.3626 9.9804<br /> 496 HA 34 HIS 24.9733 -20.2567 10.5304<br /> 497 CB 34 HIS 24.0947 -19.8108 8.6396<br /> 498 HB2 34 HIS 23.9501 -18.9351 8.0070<br /> 499 HB3 34 HIS 24.8176 -20.4522 8.1357<br /> 500 CG 34 HIS 22.7835 -20.5505 8.7581<br /> 501 ND1 34 HIS 22.6072 -21.6333 9.6018<br /> 502 CD2 34 HIS 21.5880 -20.3512 8.1323<br /> 503 HD1 34 HIS 23.3039 -22.0274 10.2012<br /> 504 CE1 34 HIS 21.3585 -22.0592 9.4803<br /> 505 NE2 34 HIS 20.7287 -21.2637 8.5687<br /> 506 HD2 34 HIS 21.3750 -19.5743 7.3981<br /> 507 HE1 34 HIS 20.9127 -22.8980 10.0150<br /> 508 C 34 HIS 25.8994 -18.4530 9.8208<br /> 509 O 34 HIS 25.7586 -17.2408 9.6668<br /> 510 N 35 SER 27.0695 -19.0731 9.8632<br /> 511 H 35 SER 27.1754 -20.0595 9.9888<br /> 512 CA 35 SER 28.3133 -18.3347 9.7252<br /> 513 HA 35 SER 28.3714 -17.6996 10.6091<br /> 514 CB 35 SER 29.5153 -19.2808 9.6980<br /> 515 HB2 35 SER 30.4076 -18.7251 9.4093<br /> 516 HB3 35 SER 29.6929 -19.6703 10.7003<br /> 517 OG 35 SER 29.3202 -20.3660 8.7952<br /> 518 HG 35 SER 30.1378 -20.4955 8.2343<br /> 519 C 35 SER 28.2785 -17.4839 8.4540<br /> 520 O 35 SER 27.7775 -17.9252 7.4209<br /> 521 N 36 GLY 28.8175 -16.2793 8.5716<br /> 522 H 36 GLY 29.2229 -15.9281 9.4155<br /> 523 CA 36 GLY 28.8545 -15.3628 7.4447<br /> 524 HA2 36 GLY 29.8396 -14.9009 7.3792<br /> 525 HA3 36 GLY 28.6987 -15.9143 6.5175<br /> 526 C 36 GLY 27.7848 -14.2778 7.5850<br /> 527 O 36 GLY 27.8555 -13.2423 6.9249<br /> 528 N 37 ASP 26.8187 -14.5524 8.4490<br /> 529 H 37 ASP 26.7685 -15.3971 8.9819<br /> 530 CA 37 ASP 25.7357 -13.6127 8.6844<br /> 531 HA 37 ASP 25.4966 -13.2000 7.7044<br /> 532 CB 37 ASP 24.5180 -14.3155 9.2876<br /> 533 HB2 37 ASP 24.7771 -14.6650 10.2870<br /> 534 HB3 37 ASP 23.7164 -13.5860 9.4031<br /> 535 CG 37 ASP 23.9879 -15.5002 8.4774<br /> 536 OD1 37 ASP 23.2649 -16.3222 9.0807<br /> 537 OD2 37 ASP 24.3178 -15.5572 7.2731<br /> 538 C 37 ASP 26.2013 -12.5418 9.6729<br /> 539 O 37 ASP 26.4791 -12.8416 10.8331<br /> 540 N 38 PHE 26.2722 -11.3151 9.1773<br /> 541 H 38 PHE 26.0444 -11.0798 8.2324<br /> 542 CA 38 PHE 26.6993 -10.1980 10.0025<br /> 543 HA 38 PHE 27.0248 -10.6080 10.9585<br /> 544 CB 38 PHE 27.8171 -9.4819 9.2419<br /> 545 HB2 38 PHE 28.3781 -8.8610 9.9404<br /> 546 HB3 38 PHE 28.5102 -10.2260 8.8493<br /> 547 CG 38 PHE 27.3231 -8.6073 8.0877<br /> 548 CD1 38 PHE 27.0669 -9.1645 6.8737<br /> 549 HD1 38 PHE 27.2134 -10.2341 6.7231<br /> 550 CE1 38 PHE 26.6085 -8.3528 5.8026<br /> 551 HE1 38 PHE 26.4031 -8.7993 4.8297<br /> 552 CZ 38 PHE 26.4257 -7.0183 5.9905<br /> 553 HZ 38 PHE 26.0739 -6.3952 5.1683<br /> 554 CE2 38 PHE 26.6820 -6.4612 7.2044<br /> 555 HE2 38 PHE 26.5355 -5.3916 7.3550<br /> 556 CD2 38 PHE 27.1404 -7.2729 8.2756<br /> 557 HD2 38 PHE 27.3458 -6.8264 9.2485<br /> 558 C 38 PHE 25.5484 -9.2174 10.2363<br /> 559 O 38 PHE 24.5070 -9.3112 9.5885<br /> 560 N 39 LEU 25.7750 -8.2991 11.1640<br /> 561 H 39 LEU 26.6248 -8.2297 11.6864<br /> 562 CA 39 LEU 24.7698 -7.3021 11.4915<br /> 563 HA 39 LEU 24.3856 -6.9048 10.5521<br /> 564 CB 39 LEU 23.5927 -7.9488 12.2244<br /> 565 HB2 39 LEU 22.7305 -7.2872 12.1405<br /> 566 HB3 39 LEU 23.3350 -8.8748 11.7104<br /> 567 CG 39 LEU 23.8161 -8.2648 13.7047<br /> 568 HG 39 LEU 23.0576 -8.9816 14.0192<br /> 569 CD1 39 LEU 25.1792 -8.9235 13.9250<br /> 570 HD11 39 LEU 25.3749 -9.6318 13.1199<br /> 571 HD12 39 LEU 25.9556 -8.1583 13.9323<br /> 572 HD13 39 LEU 25.1786 -9.4494 14.8797<br /> 573 CD2 39 LEU 23.6388 -7.0124 14.5655<br /> 574 HD21 39 LEU 23.1659 -7.2842 15.5092<br /> 575 HD22 39 LEU 24.6135 -6.5661 14.7628<br /> 576 HD23 39 LEU 23.0107 -6.2948 14.0377<br /> 577 C 39 LEU 25.4256 -6.1594 12.2693<br /> 578 O 39 LEU 26.5595 -6.2869 12.7286<br /> 579 N 40 VAL 24.6841 -5.0684 12.3930<br /> 580 H 40 VAL 23.7627 -4.9728 12.0163<br /> 581 CA 40 VAL 25.1793 -3.9040 13.1073<br /> 582 HA 40 VAL 26.1848 -4.1364 13.4581<br /> 583 CB 40 VAL 25.2735 -2.7083 12.1572<br /> 584 HB 40 VAL 24.2740 -2.5071 11.7717<br /> 585 CG1 40 VAL 25.7531 -1.4574 12.8962<br /> 586 HG11 40 VAL 26.3293 -1.7521 13.7733<br /> 587 HG12 40 VAL 26.3803 -0.8617 12.2330<br /> 588 HG13 40 VAL 24.8917 -0.8674 13.2088<br /> 589 CG2 40 VAL 26.1814 -3.0241 10.9669<br /> 590 HG21 40 VAL 26.5904 -2.0966 10.5659<br /> 591 HG22 40 VAL 26.9969 -3.6696 11.2932<br /> 592 HG23 40 VAL 25.6040 -3.5308 10.1938<br /> 593 C 40 VAL 24.2846 -3.6357 14.3190<br /> 594 O 40 VAL 23.0658 -3.7815 14.2396<br /> 595 N 41 ARG 24.9244 -3.2484 15.4126<br /> 596 H 41 ARG 25.9160 -3.1322 15.4688<br /> 597 CA 41 ARG 24.2017 -2.9584 16.6394<br /> 598 HA 41 ARG 23.2135 -2.6361 16.3111<br /> 599 CB 41 ARG 24.0881 -4.2048 17.5194<br /> 600 HB2 41 ARG 23.3270 -4.0467 18.2835<br /> 601 HB3 41 ARG 23.7628 -5.0521 16.9160<br /> 602 CG 41 ARG 25.4269 -4.5298 18.1850<br /> 603 HG2 41 ARG 26.2441 -4.2725 17.5111<br /> 604 HG3 41 ARG 25.5490 -3.9211 19.0809<br /> 605 CD 41 ARG 25.5103 -6.0124 18.5538<br /> 606 HD2 41 ARG 24.6043 -6.3167 19.0777<br /> 607 HD3 41 ARG 25.5741 -6.6175 17.6495<br /> 608 NE 41 ARG 26.6937 -6.2555 19.4086<br /> 609 HE 41 ARG 27.4824 -6.7132 18.9980<br /> 610 CZ 41 ARG 26.7746 -5.9007 20.6981<br /> 611 NH1 41 ARG 27.8884 -6.1615 21.3963<br /> 612 HH11 41 ARG 27.9488 -5.8966 22.3586<br /> 613 HH12 41 ARG 28.6591 -6.6210 20.9548<br /> 614 NH2 41 ARG 25.7420 -5.2849 21.2897<br /> 615 HH21 41 ARG 25.8025 -5.0201 22.2522<br /> 616 HH22 41 ARG 24.9109 -5.0902 20.7688<br /> 617 C 41 ARG 24.9095 -1.8516 17.4235<br /> 618 O 41 ARG 26.1293 -1.8792 17.5794<br /> 619 N 42 GLU 24.1138 -0.9036 17.8964<br /> 620 H 42 GLU 23.1226 -0.8886 17.7651<br /> 621 CA 42 GLU 24.6490 0.2104 18.6605<br /> 622 HA 42 GLU 25.4940 0.5805 18.0800<br /> 623 CB 42 GLU 23.6118 1.3260 18.8030<br /> 624 HB2 42 GLU 23.2819 1.6492 17.8156<br /> 625 HB3 42 GLU 22.7329 0.9462 19.3240<br /> 626 CG 42 GLU 24.1900 2.5177 19.5689<br /> 627 HG2 42 GLU 24.3423 2.2443 20.6129<br /> 628 HG3 42 GLU 25.1671 2.7769 19.1613<br /> 629 CD 42 GLU 23.2582 3.7284 19.4838<br /> 630 OE1 42 GLU 23.4944 4.6817 20.2571<br /> 631 OE2 42 GLU 22.3310 3.6732 18.6473<br /> 632 C 42 GLU 25.1306 -0.2689 20.0313<br /> 633 O 42 GLU 24.3501 -0.8097 20.8132<br /> 634 N 43 SER 26.4138 -0.0530 20.2809<br /> 635 H 43 SER 27.0418 0.3876 19.6396<br /> 636 CA 43 SER 27.0086 -0.4562 21.5438<br /> 637 HA 43 SER 26.9760 -1.5457 21.5434<br /> 638 CB 43 SER 28.4627 0.0096 21.6413<br /> 639 HB2 43 SER 28.9944 -0.2691 20.7313<br /> 640 HB3 43 SER 28.4915 1.0971 21.7067<br /> 641 OG 43 SER 29.1284 -0.5511 22.7696<br /> 642 HG 43 SER 29.9988 -0.9546 22.4876<br /> 643 C 43 SER 26.1922 0.1051 22.7097<br /> 644 O 43 SER 25.3800 1.0101 22.5246<br /> 645 N 44 GLN 26.4363 -0.4553 23.8852<br /> 646 H 44 GLN 27.0986 -1.1909 24.0272<br /> 647 CA 44 GLN 25.7339 -0.0221 25.0811<br /> 648 HA 44 GLN 24.7744 0.3591 24.7315<br /> 649 CB 44 GLN 25.4907 -1.1972 26.0302<br /> 650 HB2 44 GLN 24.9737 -1.9968 25.4996<br /> 651 HB3 44 GLN 26.4455 -1.6025 26.3652<br /> 652 CG 44 GLN 24.6623 -0.7621 27.2407<br /> 653 HG2 44 GLN 24.6788 -1.5459 27.9978<br /> 654 HG3 44 GLN 25.1076 0.1252 27.6905<br /> 655 CD 44 GLN 23.2164 -0.4653 26.8374<br /> 656 OE1 44 GLN 22.8855 0.6079 26.3607<br /> 657 NE2 44 GLN 22.3765 -1.4734 27.0545<br /> 658 HE21 44 GLN 22.7130 -2.3286 27.4489<br /> 659 HE22 44 GLN 21.4085 -1.3762 26.8234<br /> 660 C 44 GLN 26.5131 1.0944 25.7792<br /> 661 O 44 GLN 26.0511 2.2326 25.8426<br /> 662 N 45 GLY 27.6817 0.7295 26.2856<br /> 663 H 45 GLY 28.0502 -0.1985 26.2297<br /> 664 CA 45 GLY 28.5294 1.6861 26.9767<br /> 665 HA2 45 GLY 28.0291 2.0342 27.8804<br /> 666 HA3 45 GLY 29.4524 1.1989 27.2909<br /> 667 C 45 GLY 28.8568 2.8792 26.0765<br /> 668 O 45 GLY 29.1836 3.9594 26.5659<br /> 669 N 46 LYS 28.7577 2.6436 24.7765<br /> 670 H 46 LYS 28.4913 1.7621 24.3867<br /> 671 CA 46 LYS 29.0393 3.6853 23.8035<br /> 672 HA 46 LYS 28.9028 4.6445 24.3030<br /> 673 CB 46 LYS 30.4990 3.6150 23.3504<br /> 674 HB2 46 LYS 30.6820 2.6665 22.8456<br /> 675 HB3 46 LYS 30.6969 4.4046 22.6255<br /> 676 CG 46 LYS 31.4499 3.7575 24.5405<br /> 677 HG2 46 LYS 31.2196 4.6720 25.0871<br /> 678 HG3 46 LYS 31.3010 2.9275 25.2310<br /> 679 CD 46 LYS 32.9077 3.7874 24.0770<br /> 680 HD2 46 LYS 33.0645 3.0298 23.3090<br /> 681 HD3 46 LYS 33.1287 4.7528 23.6218<br /> 682 CE 46 LYS 33.8606 3.5393 25.2480<br /> 683 HE2 46 LYS 33.6115 4.2048 26.0745<br /> 684 HE3 46 LYS 33.7400 2.5192 25.6127<br /> 685 NZ 46 LYS 35.2632 3.7604 24.8307<br /> 686 HZ1 46 LYS 35.7391 2.8821 24.7825<br /> 687 HZ2 46 LYS 35.2784 4.1976 23.9315<br /> 688 HZ3 46 LYS 35.7199 4.3509 25.4962<br /> 689 C 46 LYS 28.0334 3.5894 22.6546<br /> 690 O 46 LYS 27.2007 2.6845 22.6278<br /> 691 N 47 GLN 28.1438 4.5352 21.7333<br /> 692 H 47 GLN 28.8239 5.2677 21.7626<br /> 693 CA 47 GLN 27.2543 4.5687 20.5848<br /> 694 HA 47 GLN 26.4145 3.9265 20.8500<br /> 695 CB 47 GLN 26.7401 5.9870 20.3308<br /> 696 HB2 47 GLN 26.0236 5.9763 19.5093<br /> 697 HB3 47 GLN 26.2096 6.3488 21.2116<br /> 698 CG 47 GLN 27.8925 6.9365 19.9970<br /> 699 HG2 47 GLN 28.7001 6.8009 20.7164<br /> 700 HG3 47 GLN 28.2964 6.6925 19.0145<br /> 701 CD 47 GLN 27.4254 8.3934 20.0151<br /> 702 OE1 47 GLN 26.3031 8.7080 20.3756<br /> 703 NE2 47 GLN 28.3464 9.2619 19.6073<br /> 704 HE21 47 GLN 29.2491 8.9376 19.3245<br /> 705 HE22 47 GLN 28.1361 10.2393 19.5835<br /> 706 C 47 GLN 27.9630 4.0127 19.3481<br /> 707 O 47 GLN 27.7217 4.4698 18.2320<br /> 708 N 48 GLU 28.8235 3.0343 19.5884<br /> 709 H 48 GLU 29.0141 2.6683 20.4992<br /> 710 CA 48 GLU 29.5690 2.4112 18.5079<br /> 711 HA 48 GLU 29.5981 3.1535 17.7103<br /> 712 CB 48 GLU 30.9993 2.0875 18.9441<br /> 713 HB2 48 GLU 31.3987 2.9121 19.5346<br /> 714 HB3 48 GLU 30.9970 1.2072 19.5868<br /> 715 CG 48 GLU 31.8991 1.8384 17.7319<br /> 716 HG2 48 GLU 31.6482 0.8791 17.2794<br /> 717 HG3 48 GLU 31.7186 2.6039 16.9773<br /> 718 CD 48 GLU 33.3754 1.8486 18.1337<br /> 719 OE1 48 GLU 33.6392 1.6069 19.3314<br /> 720 OE2 48 GLU 34.2067 2.0976 17.2340<br /> 721 C 48 GLU 28.8464 1.1535 18.0209<br /> 722 O 48 GLU 28.2793 0.4103 18.8203<br /> 723 N 49 TYR 28.8905 0.9539 16.7118<br /> 724 H 49 TYR 29.3540 1.5633 16.0686<br /> 725 CA 49 TYR 28.2471 -0.2010 16.1088<br /> 726 HA 49 TYR 27.3620 -0.4390 16.6986<br /> 727 CB 49 TYR 27.9377 0.1954 14.6639<br /> 728 HB2 49 TYR 28.8761 0.3398 14.1285<br /> 729 HB3 49 TYR 27.4158 -0.6277 14.1759<br /> 730 CG 49 TYR 27.0929 1.4643 14.5340<br /> 731 CD1 49 TYR 25.8170 1.5007 15.0592<br /> 732 HD1 49 TYR 25.4114 0.6252 15.5665<br /> 733 CE1 49 TYR 25.0218 2.6950 14.9370<br /> 734 HE1 49 TYR 24.0129 2.7371 15.3472<br /> 735 CZ 49 TYR 25.5583 3.7691 14.2983<br /> 736 CE2 49 TYR 26.8113 3.7669 13.7696<br /> 737 HE2 49 TYR 27.2048 4.6491 13.2648<br /> 738 CD2 49 TYR 27.6065 2.5726 13.8918<br /> 739 HD2 49 TYR 28.6141 2.5438 13.4770<br /> 740 OH 49 TYR 24.8073 4.8971 14.1829<br /> 741 HH 49 TYR 25.0940 5.4181 13.3789<br /> 742 C 49 TYR 29.1843 -1.4104 16.1038<br /> 743 O 49 TYR 30.3995 -1.2581 15.9891<br /> 744 N 50 VAL 28.5837 -2.5847 16.2296<br /> 745 H 50 VAL 27.5947 -2.6998 16.3224<br /> 746 CA 50 VAL 29.3495 -3.8195 16.2410<br /> 747 HA 50 VAL 30.3885 -3.5641 16.0334<br /> 748 CB 50 VAL 29.2874 -4.4609 17.6287<br /> 749 HB 50 VAL 28.2428 -4.6792 17.8506<br /> 750 CG1 50 VAL 30.0600 -5.7811 17.6575<br /> 751 HG11 50 VAL 30.7984 -5.7875 16.8556<br /> 752 HG12 50 VAL 30.5655 -5.8855 18.6175<br /> 753 HG13 50 VAL 29.3668 -6.6109 17.5196<br /> 754 CG2 50 VAL 29.8044 -3.4994 18.7007<br /> 755 HG21 50 VAL 29.0918 -2.6853 18.8327<br /> 756 HG22 50 VAL 29.9225 -4.0351 19.6427<br /> 757 HG23 50 VAL 30.7671 -3.0931 18.3907<br /> 758 C 50 VAL 28.8380 -4.7419 15.1327<br /> 759 O 50 VAL 27.6328 -4.9469 14.9976<br /> 760 N 51 LEU 29.7800 -5.2737 14.3677<br /> 761 H 51 LEU 30.7582 -5.1019 14.4842<br /> 762 CA 51 LEU 29.4399 -6.1696 13.2754<br /> 763 HA 51 LEU 28.4046 -5.9695 12.9991<br /> 764 CB 51 LEU 30.3018 -5.8688 12.0476<br /> 765 HB2 51 LEU 30.5262 -4.8022 12.0382<br /> 766 HB3 51 LEU 31.2511 -6.3932 12.1575<br /> 767 CG 51 LEU 29.6962 -6.2462 10.6941<br /> 768 HG 51 LEU 29.4812 -7.3148 10.7022<br /> 769 CD1 51 LEU 28.3692 -5.5200 10.4656<br /> 770 HD11 51 LEU 27.5670 -6.0632 10.9651<br /> 771 HD12 51 LEU 28.4326 -4.5106 10.8725<br /> 772 HD13 51 LEU 28.1625 -5.4684 9.3966<br /> 773 CD2 51 LEU 30.6905 -5.9940 9.5590<br /> 774 HD21 51 LEU 31.6967 -5.9086 9.9696<br /> 775 HD22 51 LEU 30.6552 -6.8243 8.8537<br /> 776 HD23 51 LEU 30.4281 -5.0692 9.0450<br /> 777 C 51 LEU 29.5418 -7.6177 13.7586<br /> 778 O 51 LEU 30.4552 -8.3432 13.3684<br /> 779 N 52 SER 28.5912 -7.9951 14.6008<br /> 780 H 52 SER 27.8517 -7.3988 14.9131<br /> 781 CA 52 SER 28.5625 -9.3435 15.1414<br /> 782 HA 52 SER 29.5756 -9.5342 15.4952<br /> 783 CB 52 SER 27.5857 -9.4459 16.3145<br /> 784 HB2 52 SER 28.0891 -9.1433 17.2328<br /> 785 HB3 52 SER 26.7597 -8.7517 16.1603<br /> 786 OG 52 SER 27.0726 -10.7664 16.4683<br /> 787 HG 52 SER 27.5357 -11.2273 17.2253<br /> 788 C 52 SER 28.1804 -10.3391 14.0442<br /> 789 O 52 SER 27.1505 -10.1827 13.3902<br /> 790 N 53 VAL 29.0310 -11.3410 13.8764<br /> 791 H 53 VAL 29.8666 -11.4609 14.4125<br /> 792 CA 53 VAL 28.7956 -12.3620 12.8697<br /> 793 HA 53 VAL 27.7219 -12.4015 12.6861<br /> 794 CB 53 VAL 29.4862 -11.9750 11.5603<br /> 795 HB 53 VAL 28.8733 -11.2193 11.0689<br /> 796 CG1 53 VAL 30.8631 -11.3635 11.8267<br /> 797 HG11 53 VAL 31.5723 -11.7276 11.0833<br /> 798 HG12 53 VAL 30.7966 -10.2773 11.7638<br /> 799 HG13 53 VAL 31.2014 -11.6499 12.8224<br /> 800 CG2 53 VAL 29.5926 -13.1775 10.6204<br /> 801 HG21 53 VAL 28.7999 -13.8895 10.8502<br /> 802 HG22 53 VAL 29.4916 -12.8419 9.5883<br /> 803 HG23 53 VAL 30.5620 -13.6577 10.7530<br /> 804 C 53 VAL 29.2534 -13.7187 13.4087<br /> 805 O 53 VAL 30.3696 -13.8472 13.9092<br /> 806 N 54 LEU 28.3679 -14.6968 13.2881<br /> 807 H 54 LEU 27.4621 -14.5839 12.8798<br /> 808 CA 54 LEU 28.6671 -16.0392 13.7571<br /> 809 HA 54 LEU 29.2104 -15.9434 14.6971<br /> 810 CB 54 LEU 27.3753 -16.8023 14.0570<br /> 811 HB2 54 LEU 26.9564 -16.4167 14.9865<br /> 812 HB3 54 LEU 26.6558 -16.5830 13.2680<br /> 813 CG 54 LEU 27.5072 -18.3216 14.1809<br /> 814 HG 54 LEU 28.0102 -18.6947 13.2889<br /> 815 CD1 54 LEU 28.3763 -18.7003 15.3817<br /> 816 HD11 54 LEU 29.3239 -19.1085 15.0300<br /> 817 HD12 54 LEU 28.5651 -17.8139 15.9876<br /> 818 HD13 54 LEU 27.8593 -19.4480 15.9832<br /> 819 CD2 54 LEU 26.1313 -18.9886 14.2362<br /> 820 HD21 54 LEU 25.3757 -18.2938 13.8695<br /> 821 HD22 54 LEU 26.1357 -19.8828 13.6128<br /> 822 HD23 54 LEU 25.9024 -19.2645 15.2656<br /> 823 C 54 LEU 29.5733 -16.7391 12.7423<br /> 824 O 54 LEU 29.3916 -16.5888 11.5351<br /> 825 N 55 TRP 30.5299 -17.4890 13.2695<br /> 826 H 55 TRP 30.6709 -17.6059 14.2526<br /> 827 CA 55 TRP 31.4649 -18.2125 12.4248<br /> 828 HA 55 TRP 30.9130 -18.5900 11.5641<br /> 829 CB 55 TRP 32.5501 -17.2796 11.8840<br /> 830 HB2 55 TRP 32.0855 -16.3491 11.5574<br /> 831 HB3 55 TRP 33.2345 -17.0269 12.6939<br /> 832 CG 55 TRP 33.3532 -17.8670 10.7216<br /> 833 CD1 55 TRP 34.5447 -18.4785 10.7679<br /> 834 CD2 55 TRP 32.9718 -17.8736 9.3297<br /> 835 CE3 55 TRP 31.8208 -17.3691 8.6993<br /> 836 CE2 55 TRP 33.9706 -18.4976 8.6105<br /> 837 NE1 55 TRP 34.9576 -18.8771 9.5128<br /> 838 HD1 55 TRP 35.1160 -18.6406 11.6819<br /> 839 HE3 55 TRP 31.0184 -16.8725 9.2447<br /> 840 CZ3 55 TRP 31.7851 -17.5543 7.3120<br /> 841 CZ2 55 TRP 33.9196 -18.6751 7.2227<br /> 842 HE1 55 TRP 35.8866 -19.3944 9.2732<br /> 843 HZ3 55 TRP 30.9140 -17.1814 6.7734<br /> 844 CH2 55 TRP 32.7824 -18.1802 6.5734<br /> 845 HZ2 55 TRP 34.7222 -19.1715 6.6773<br /> 846 HH2 55 TRP 32.6794 -18.2855 5.4934<br /> 847 C 55 TRP 32.0301 -19.3796 13.2368<br /> 848 O 55 TRP 32.7091 -19.1707 14.2409<br /> 849 N 56 ASP 31.7289 -20.5831 12.7715<br /> 850 H 56 ASP 31.1761 -20.7443 11.9541<br /> 851 CA 56 ASP 32.1985 -21.7837 13.4420<br /> 852 HA 56 ASP 31.6960 -22.6087 12.9371<br /> 853 CB 56 ASP 33.7176 -21.9216 13.3246<br /> 854 HB2 56 ASP 34.1852 -21.2392 14.0344<br /> 855 HB3 56 ASP 33.9997 -22.9319 13.6210<br /> 856 CG 56 ASP 34.2865 -21.6438 11.9318<br /> 857 OD1 56 ASP 33.5153 -21.8048 10.9613<br /> 858 OD2 56 ASP 35.4798 -21.2768 11.8689<br /> 859 C 56 ASP 31.8443 -21.7042 14.9283<br /> 860 O 56 ASP 32.7090 -21.8759 15.7861<br /> 861 N 57 GLY 30.5714 -21.4438 15.1874<br /> 862 H 57 GLY 29.8744 -21.3055 14.4839<br /> 863 CA 57 GLY 30.0923 -21.3395 16.5553<br /> 864 HA2 57 GLY 29.0260 -21.1134 16.5545<br /> 865 HA3 57 GLY 30.2147 -22.2971 17.0612<br /> 866 C 57 GLY 30.8493 -20.2518 17.3200<br /> 867 O 57 GLY 31.0383 -20.3565 18.5309<br /> 868 N 58 LEU 31.2623 -19.2323 16.5814<br /> 869 H 58 LEU 31.1045 -19.1549 15.5970<br /> 870 CA 58 LEU 31.9946 -18.1264 17.1749<br /> 871 HA 58 LEU 31.8081 -18.1499 18.2485<br /> 872 CB 58 LEU 33.4999 -18.3109 16.9731<br /> 873 HB2 58 LEU 33.6547 -19.1316 16.2726<br /> 874 HB3 58 LEU 33.8962 -17.4112 16.5024<br /> 875 CG 58 LEU 34.3162 -18.5941 18.2358<br /> 876 HG 58 LEU 34.2615 -17.7178 18.8816<br /> 877 CD1 58 LEU 33.7263 -19.7693 19.0179<br /> 878 HD11 58 LEU 32.8202 -19.4462 19.5306<br /> 879 HD12 58 LEU 33.4849 -20.5794 18.3294<br /> 880 HD13 58 LEU 34.4532 -20.1198 19.7505<br /> 881 CD2 58 LEU 35.7919 -18.8143 17.8969<br /> 882 HD21 58 LEU 36.0781 -18.1567 17.0760<br /> 883 HD22 58 LEU 36.4029 -18.5908 18.7715<br /> 884 HD23 58 LEU 35.9459 -19.8522 17.6017<br /> 885 C 58 LEU 31.4565 -16.8069 16.6178<br /> 886 O 58 LEU 31.9688 -16.2935 15.6244<br /> 887 N 59 PRO 30.4033 -16.2821 17.2997<br /> 888 CD 59 PRO 29.7705 -16.8625 18.4805<br /> 889 CA 59 PRO 29.7902 -15.0323 16.8834<br /> 890 HA 59 PRO 29.6999 -15.0047 15.8879<br /> 891 CB 59 PRO 28.4359 -15.0097 17.5730<br /> 892 HB2 59 PRO 28.2065 -14.0132 17.9508<br /> 893 HB3 59 PRO 27.6396 -15.2783 16.8788<br /> 894 CG 59 PRO 28.5299 -16.0148 18.7094<br /> 895 HG2 59 PRO 28.5899 -15.5014 19.6691<br /> 896 HG3 59 PRO 27.6389 -16.6420 18.7389<br /> 897 HD2 59 PRO 30.4366 -16.8306 19.3427<br /> 898 HD3 59 PRO 29.5109 -17.9083 18.3169<br /> 899 C 59 PRO 30.6713 -13.8383 17.2566<br /> 900 O 59 PRO 30.4378 -13.1831 18.2711<br /> 901 N 60 ARG 31.6654 -13.5917 16.4162<br /> 902 H 60 ARG 31.8483 -14.1295 15.5933<br /> 903 CA 60 ARG 32.5824 -12.4880 16.6449<br /> 904 HA 60 ARG 32.9612 -12.6452 17.6548<br /> 905 CB 60 ARG 33.7332 -12.5102 15.6370<br /> 906 HB2 60 ARG 33.3498 -12.3058 14.6374<br /> 907 HB3 60 ARG 34.4442 -11.7187 15.8738<br /> 908 CG 60 ARG 34.4462 -13.8640 15.6487<br /> 909 HG2 60 ARG 33.7283 -14.6552 15.8647<br /> 910 HG3 60 ARG 34.8597 -14.0697 14.6614<br /> 911 CD 60 ARG 35.5659 -13.8850 16.6912<br /> 912 HD2 60 ARG 36.2971 -14.6518 16.4361<br /> 913 HD3 60 ARG 36.0919 -12.9303 16.6912<br /> 914 NE 60 ARG 35.0025 -14.1510 18.0336<br /> 915 HE 60 ARG 34.0118 -14.0790 18.1489<br /> 916 CZ 60 ARG 35.7369 -14.4825 19.1042<br /> 917 NH1 60 ARG 35.1401 -14.7059 20.2831<br /> 918 HH11 60 ARG 35.6881 -14.9534 21.0821<br /> 919 HH12 60 ARG 34.1466 -14.6252 20.3638<br /> 920 NH2 60 ARG 37.0681 -14.5907 18.9962<br /> 921 HH21 60 ARG 37.6162 -14.8382 19.7953<br /> 922 HH22 60 ARG 37.5136 -14.4241 18.1165<br /> 923 C 60 ARG 31.8435 -11.1527 16.5357<br /> 924 O 60 ARG 30.7095 -11.1036 16.0618<br /> 925 N 61 HIS 32.5164 -10.1023 16.9821<br /> 926 H 61 HIS 33.4384 -10.1508 17.3661<br /> 927 CA 61 HIS 31.9379 -8.7700 16.9404<br /> 928 HA 61 HIS 31.0490 -8.8346 16.3130<br /> 929 CB 61 HIS 31.4930 -8.3271 18.3357<br /> 930 HB2 61 HIS 32.2031 -8.7072 19.0700<br /> 931 HB3 61 HIS 31.5303 -7.2391 18.3894<br /> 932 CG 61 HIS 30.1053 -8.7882 18.7130<br /> 933 ND1 61 HIS 28.9575 -8.1921 18.2205<br /> 934 CD2 61 HIS 29.6937 -9.7932 19.5382<br /> 935 HD1 61 HIS 28.9255 -7.4204 17.5853<br /> 936 CE1 61 HIS 27.9083 -8.8176 18.7336<br /> 937 NE2 61 HIS 28.3666 -9.8092 19.5504<br /> 938 HD2 61 HIS 30.3447 -10.4685 20.0935<br /> 939 HE1 61 HIS 26.8624 -8.5813 18.5374<br /> 940 C 61 HIS 32.9311 -7.7991 16.2987<br /> 941 O 61 HIS 33.4938 -6.9418 16.9779<br /> 942 N 62 PHE 33.1160 -7.9663 14.9975<br /> 943 H 62 PHE 32.6543 -8.6661 14.4524<br /> 944 CA 62 PHE 34.0315 -7.1155 14.2563<br /> 945 HA 62 PHE 34.9878 -7.1369 14.7788<br /> 946 CB 62 PHE 34.1091 -7.6742 12.8341<br /> 947 HB2 62 PHE 33.1328 -7.5715 12.3605<br /> 948 HB3 62 PHE 34.8090 -7.0714 12.2555<br /> 949 CG 62 PHE 34.5423 -9.1400 12.7642<br /> 950 CD1 62 PHE 35.8616 -9.4632 12.8330<br /> 951 HD1 62 PHE 36.6103 -8.6780 12.9379<br /> 952 CE1 62 PHE 36.2636 -10.8235 12.7681<br /> 953 HE1 62 PHE 37.3209 -11.0826 12.8232<br /> 954 CZ 62 PHE 35.3294 -11.8032 12.6371<br /> 955 HZ 62 PHE 35.6379 -12.8474 12.5872<br /> 956 CE2 62 PHE 34.0101 -11.4800 12.5683<br /> 957 HE2 62 PHE 33.2614 -12.2652 12.4633<br /> 958 CD2 62 PHE 33.6081 -10.1196 12.6333<br /> 959 HD2 62 PHE 32.5508 -9.8606 12.5781<br /> 960 C 62 PHE 33.5169 -5.6757 14.1985<br /> 961 O 62 PHE 32.8032 -5.3047 13.2679<br /> 962 N 63 ILE 33.8993 -4.9036 15.2050<br /> 963 H 63 ILE 34.4799 -5.2132 15.9580<br /> 964 CA 63 ILE 33.4856 -3.5128 15.2805<br /> 965 HA 63 ILE 32.4040 -3.4861 15.1480<br /> 966 CB 63 ILE 33.7858 -2.9389 16.6666<br /> 967 HB 63 ILE 34.8645 -2.9644 16.8204<br /> 968 CG2 63 ILE 33.3505 -1.4751 16.7600<br /> 969 HG21 63 ILE 32.2813 -1.4008 16.5617<br /> 970 HG22 63 ILE 33.5616 -1.0964 17.7602<br /> 971 HG23 63 ILE 33.8983 -0.8855 16.0251<br /> 972 CG1 63 ILE 33.1523 -3.7965 17.7641<br /> 973 HG12 63 ILE 32.0662 -3.7505 17.6850<br /> 974 HG13 63 ILE 33.4381 -4.8392 17.6261<br /> 975 CD1 63 ILE 33.5888 -3.3216 19.1515<br /> 976 HD11 63 ILE 33.2789 -4.0513 19.8994<br /> 977 HD12 63 ILE 34.6734 -3.2157 19.1747<br /> 978 HD13 63 ILE 33.1251 -2.3593 19.3686<br /> 979 C 63 ILE 34.1337 -2.7296 14.1370<br /> 980 O 63 ILE 35.3351 -2.8485 13.9012<br /> 981 N 64 ILE 33.3094 -1.9463 13.4571<br /> 982 H 64 ILE 32.3335 -1.8553 13.6554<br /> 983 CA 64 ILE 33.7873 -1.1437 12.3441<br /> 984 HA 64 ILE 34.5060 -1.7480 11.7905<br /> 985 CB 64 ILE 32.6390 -0.8169 11.3872<br /> 986 HB 64 ILE 31.8727 -0.2786 11.9447<br /> 987 CG2 64 ILE 33.1097 0.1050 10.2606<br /> 988 HG21 64 ILE 32.9133 -0.3678 9.2983<br /> 989 HG22 64 ILE 32.5717 1.0515 10.3168<br /> 990 HG23 64 ILE 34.1791 0.2883 10.3639<br /> 991 CG1 64 ILE 31.9927 -2.0953 10.8495<br /> 992 HG12 64 ILE 32.6102 -2.5123 10.0540<br /> 993 HG13 64 ILE 31.9445 -2.8433 11.6409<br /> 994 CD1 64 ILE 30.5856 -1.8163 10.3175<br /> 995 HD11 64 ILE 30.3211 -0.7780 10.5168<br /> 996 HD12 64 ILE 30.5609 -1.9978 9.2430<br /> 997 HD13 64 ILE 29.8724 -2.4747 10.8136<br /> 998 C 64 ILE 34.5080 0.0928 12.8849<br /> 999 O 64 ILE 33.9499 0.8396 13.6873<br /> 1000 N 65 GLN 35.7372 0.2709 12.4238<br /> 1001 H 65 GLN 36.1838 -0.3412 11.7713<br /> 1002 CA 65 GLN 36.5400 1.4041 12.8512<br /> 1003 HA 65 GLN 36.2800 1.5652 13.8974<br /> 1004 CB 65 GLN 38.0334 1.0879 12.7487<br /> 1005 HB2 65 GLN 38.2190 0.4735 11.8676<br /> 1006 HB3 65 GLN 38.5964 2.0119 12.6172<br /> 1007 CG 65 GLN 38.5263 0.3574 13.9995<br /> 1008 HG2 65 GLN 37.9929 -0.5870 14.1073<br /> 1009 HG3 65 GLN 39.5836 0.1158 13.8908<br /> 1010 CD 65 GLN 38.3189 1.2124 15.2512<br /> 1011 OE1 65 GLN 38.7311 2.3583 15.3270<br /> 1012 NE2 65 GLN 37.6585 0.5936 16.2258<br /> 1013 HE21 65 GLN 37.3474 -0.3484 16.0992<br /> 1014 HE22 65 GLN 37.4733 1.0701 17.0852<br /> 1015 C 65 GLN 36.1849 2.6458 12.0308<br /> 1016 O 65 GLN 36.2185 2.6124 10.8016<br /> 1017 N 66 SER 35.8528 3.7120 12.7437<br /> 1018 H 66 SER 35.8280 3.7307 13.7432<br /> 1019 CA 66 SER 35.4919 4.9621 12.0970<br /> 1020 HA 66 SER 35.4186 4.7269 11.0352<br /> 1021 CB 66 SER 34.1402 5.4723 12.6001<br /> 1022 HB2 66 SER 33.7841 6.2651 11.9421<br /> 1023 HB3 66 SER 33.4080 4.6663 12.5531<br /> 1024 OG 66 SER 34.2186 5.9641 13.9353<br /> 1025 HG 66 SER 33.4738 6.6090 14.1065<br /> 1026 C 66 SER 36.5792 6.0105 12.3410<br /> 1027 O 66 SER 36.7799 6.4503 13.4721<br /> 1028 N 67 LEU 37.2525 6.3805 11.2616<br /> 1029 H 67 LEU 37.0831 6.0179 10.3452<br /> 1030 CA 67 LEU 38.3143 7.3690 11.3442<br /> 1031 HA 67 LEU 37.9533 8.1847 11.9706<br /> 1032 CB 67 LEU 39.5442 6.7777 12.0359<br /> 1033 HB2 67 LEU 40.3221 7.5406 12.0651<br /> 1034 HB3 67 LEU 39.2813 6.5509 13.0692<br /> 1035 CG 67 LEU 40.1300 5.5157 11.3992<br /> 1036 HG 67 LEU 40.0086 5.5905 10.3186<br /> 1037 CD1 67 LEU 41.6301 5.4062 11.6789<br /> 1038 HD11 67 LEU 42.1858 5.5968 10.7607<br /> 1039 HD12 67 LEU 41.9135 6.1397 12.4340<br /> 1040 HD13 67 LEU 41.8600 4.4043 12.0415<br /> 1041 CD2 67 LEU 39.3696 4.2684 11.8541<br /> 1042 HD21 67 LEU 39.9843 3.3850 11.6814<br /> 1043 HD22 67 LEU 39.1406 4.3498 12.9167<br /> 1044 HD23 67 LEU 38.4420 4.1820 11.2881<br /> 1045 C 67 LEU 38.6010 7.9212 9.9464<br /> 1046 O 67 LEU 38.3822 7.2370 8.9479<br /> 1047 N 68 ASP 39.0862 9.1538 9.9199<br /> 1048 H 68 ASP 39.2612 9.7035 10.7367<br /> 1049 CA 68 ASP 39.4051 9.8057 8.6611<br /> 1050 HA 68 ASP 39.7852 10.7894 8.9363<br /> 1051 CB 68 ASP 40.4595 9.0158 7.8834<br /> 1052 HB2 68 ASP 41.0583 8.4431 8.5916<br /> 1053 HB3 68 ASP 39.9520 8.2965 7.2406<br /> 1054 CG 68 ASP 41.3981 9.8637 7.0226<br /> 1055 OD1 68 ASP 42.0560 10.7519 7.6064<br /> 1056 OD2 68 ASP 41.4365 9.6045 5.8004<br /> 1057 C 68 ASP 38.1434 9.8857 7.7993<br /> 1058 O 68 ASP 38.2268 9.9302 6.5729<br /> 1059 N 69 ASN 37.0039 9.9017 8.4750<br /> 1060 H 69 ASN 36.9447 9.8652 9.4726<br /> 1061 CA 69 ASN 35.7264 9.9756 7.7864<br /> 1062 HA 69 ASN 34.9772 10.0184 8.5768<br /> 1063 CB 69 ASN 35.6499 11.2201 6.8998<br /> 1064 HB2 69 ASN 36.2319 12.0261 7.3470<br /> 1065 HB3 69 ASN 36.0952 11.0067 5.9280<br /> 1066 CG 69 ASN 34.2003 11.6728 6.7142<br /> 1067 OD1 69 ASN 33.5162 11.2851 5.7813<br /> 1068 ND2 69 ASN 33.7716 12.5128 7.6520<br /> 1069 HD21 69 ASN 34.3845 12.7916 8.3914<br /> 1070 HD22 69 ASN 32.8365 12.8656 7.6178<br /> 1071 C 69 ASN 35.5630 8.7461 6.8906<br /> 1072 O 69 ASN 34.8583 8.7966 5.8837<br /> 1073 N 70 LEU 36.2259 7.6706 7.2895<br /> 1074 H 70 LEU 36.7969 7.6379 8.1098<br /> 1075 CA 70 LEU 36.1630 6.4302 6.5353<br /> 1076 HA 70 LEU 35.2784 6.4784 5.9004<br /> 1077 CB 70 LEU 37.3762 6.3024 5.6119<br /> 1078 HB2 70 LEU 38.2013 6.8649 6.0488<br /> 1079 HB3 70 LEU 37.6810 5.2562 5.5880<br /> 1080 CG 70 LEU 37.1762 6.7795 4.1719<br /> 1081 HG 70 LEU 36.1382 6.5983 3.8931<br /> 1082 CD1 70 LEU 37.4193 8.2854 4.0546<br /> 1083 HD11 70 LEU 38.3897 8.5315 4.4859<br /> 1084 HD12 70 LEU 37.4049 8.5750 3.0037<br /> 1085 HD13 70 LEU 36.6367 8.8227 4.5902<br /> 1086 CD2 70 LEU 38.0504 5.9806 3.2032<br /> 1087 HD21 70 LEU 37.4227 5.5311 2.4337<br /> 1088 HD22 70 LEU 38.7772 6.6456 2.7367<br /> 1089 HD23 70 LEU 38.5740 5.1958 3.7492<br /> 1090 C 70 LEU 36.0013 5.2570 7.5041<br /> 1091 O 70 LEU 36.3662 5.3589 8.6743<br /> 1092 N 71 TYR 35.4539 4.1700 6.9806<br /> 1093 H 71 TYR 35.1598 4.0954 6.0278<br /> 1094 CA 71 TYR 35.2394 2.9787 7.7845<br /> 1095 HA 71 TYR 35.4817 3.2227 8.8188<br /> 1096 CB 71 TYR 33.7772 2.5830 7.5700<br /> 1097 HB2 71 TYR 33.6225 2.3611 6.5141<br /> 1098 HB3 71 TYR 33.5752 1.6648 8.1216<br /> 1099 CG 71 TYR 32.7730 3.6526 8.0039<br /> 1100 CD1 71 TYR 32.5087 3.8479 9.3444<br /> 1101 HD1 71 TYR 33.0156 3.2400 10.0939<br /> 1102 CE1 71 TYR 31.5636 4.8547 9.7527<br /> 1103 HE1 71 TYR 31.3457 5.0193 10.8079<br /> 1104 CZ 71 TYR 30.9490 5.5956 8.7920<br /> 1105 CE2 71 TYR 31.1863 5.4290 7.4632<br /> 1106 HE2 71 TYR 30.6726 6.0437 6.7241<br /> 1107 CD2 71 TYR 32.1314 4.4222 7.0549<br /> 1108 HD2 71 TYR 32.3401 4.2679 5.9962<br /> 1109 OH 71 TYR 30.0564 6.5464 9.1776<br /> 1110 HH 71 TYR 30.4664 7.1392 9.8708<br /> 1111 C 71 TYR 36.1392 1.8327 7.3176<br /> 1112 O 71 TYR 35.9610 1.3064 6.2202<br /> 1113 N 72 ARG 37.0864 1.4799 8.1741<br /> 1114 H 72 ARG 37.2246 1.9132 9.0647<br /> 1115 CA 72 ARG 38.0145 0.4060 7.8631<br /> 1116 HA 72 ARG 37.5552 -0.1268 7.0305<br /> 1117 CB 72 ARG 39.3796 0.9600 7.4502<br /> 1118 HB2 72 ARG 39.9590 0.1793 6.9577<br /> 1119 HB3 72 ARG 39.2461 1.7631 6.7255<br /> 1120 CG 72 ARG 40.1486 1.4842 8.6647<br /> 1121 HG2 72 ARG 39.5399 2.2147 9.1975<br /> 1122 HG3 72 ARG 40.3433 0.6655 9.3574<br /> 1123 CD 72 ARG 41.4712 2.1263 8.2408<br /> 1124 HD2 72 ARG 42.0782 1.4029 7.6968<br /> 1125 HD3 72 ARG 41.2802 2.9572 7.5615<br /> 1126 NE 72 ARG 42.2053 2.6070 9.4325<br /> 1127 HE 72 ARG 41.6929 2.7230 10.2835<br /> 1128 CZ 72 ARG 43.5136 2.8964 9.4427<br /> 1129 NH1 72 ARG 44.0959 3.3266 10.5704<br /> 1130 HH11 72 ARG 45.0722 3.5424 10.5781<br /> 1131 HH12 72 ARG 43.5540 3.4316 11.4044<br /> 1132 NH2 72 ARG 44.2397 2.7556 8.3254<br /> 1133 HH21 72 ARG 45.2161 2.9716 8.3331<br /> 1134 HH22 72 ARG 43.8052 2.4345 7.4839<br /> 1135 C 72 ARG 38.1895 -0.5118 9.0747<br /> 1136 O 72 ARG 38.1306 -0.0571 10.2160<br /> 1137 N 73 LEU 38.4013 -1.7872 8.7851<br /> 1138 H 73 LEU 38.4478 -2.1490 7.8540<br /> 1139 CA 73 LEU 38.5853 -2.7729 9.8367<br /> 1140 HA 73 LEU 38.5636 -2.2428 10.7888<br /> 1141 CB 73 LEU 37.4237 -3.7687 9.8469<br /> 1142 HB2 73 LEU 36.9755 -3.7841 8.8534<br /> 1143 HB3 73 LEU 37.8267 -4.7647 10.0302<br /> 1144 CG 73 LEU 36.3186 -3.4996 10.8704<br /> 1145 HG 73 LEU 35.9227 -2.5001 10.6908<br /> 1146 CD1 73 LEU 35.1593 -4.4827 10.6967<br /> 1147 HD11 73 LEU 34.2242 -3.9936 10.9694<br /> 1148 HD12 73 LEU 35.1102 -4.8066 9.6569<br /> 1149 HD13 73 LEU 35.3177 -5.3486 11.3396<br /> 1150 CD2 73 LEU 36.8753 -3.5159 12.2954<br /> 1151 HD21 73 LEU 36.9808 -2.4926 12.6560<br /> 1152 HD22 73 LEU 36.1922 -4.0618 12.9462<br /> 1153 HD23 73 LEU 37.8495 -4.0048 12.2992<br /> 1154 C 73 LEU 39.9577 -3.4306 9.6788<br /> 1155 O 73 LEU 40.8521 -3.2123 10.4945<br /> 1156 N 74 GLU 40.0810 -4.2226 8.6239<br /> 1157 H 74 GLU 39.3486 -4.3948 7.9653<br /> 1158 CA 74 GLU 41.3293 -4.9135 8.3487<br /> 1159 HA 74 GLU 42.1029 -4.3185 8.8341<br /> 1160 CB 74 GLU 41.3235 -6.3185 8.9543<br /> 1161 HB2 74 GLU 40.7046 -6.3290 9.8516<br /> 1162 HB3 74 GLU 40.8759 -7.0201 8.2504<br /> 1163 CG 74 GLU 42.7429 -6.7717 9.3017<br /> 1164 HG2 74 GLU 43.3769 -5.9003 9.4654<br /> 1165 HG3 74 GLU 42.7301 -7.3363 10.2340<br /> 1166 CD 74 GLU 43.3317 -7.6350 8.1842<br /> 1167 OE1 74 GLU 44.4764 -7.3367 7.7800<br /> 1168 OE2 74 GLU 42.6240 -8.5738 7.7594<br /> 1169 C 74 GLU 41.5850 -4.9674 6.8411<br /> 1170 O 74 GLU 42.2593 -5.8736 6.3543<br /> 1171 N 75 GLY 41.0327 -3.9853 6.1441<br /> 1172 H 75 GLY 40.4856 -3.2520 6.5477<br /> 1173 CA 75 GLY 41.1925 -3.9095 4.7018<br /> 1174 HA2 75 GLY 42.0952 -4.4427 4.4039<br /> 1175 HA3 75 GLY 40.3537 -4.4049 4.2130<br /> 1176 C 75 GLY 41.2753 -2.4548 4.2350<br /> 1177 O 75 GLY 42.3409 -1.8424 4.2861<br /> 1178 N 76 GLU 40.1366 -1.9437 3.7905<br /> 1179 H 76 GLU 39.2743 -2.4485 3.7523<br /> 1180 CA 76 GLU 40.0669 -0.5724 3.3150<br /> 1181 HA 76 GLU 41.0211 -0.1220 3.5887<br /> 1182 CB 76 GLU 39.9090 -0.5269 1.7939<br /> 1183 HB2 76 GLU 39.5304 -1.4840 1.4352<br /> 1184 HB3 76 GLU 39.1717 0.2290 1.5236<br /> 1185 CG 76 GLU 41.2428 -0.2125 1.1134<br /> 1186 HG2 76 GLU 41.0609 0.2918 0.1644<br /> 1187 HG3 76 GLU 41.8188 0.4739 1.7339<br /> 1188 CD 76 GLU 42.0496 -1.4899 0.8718<br /> 1189 OE1 76 GLU 41.4025 -2.5421 0.6806<br /> 1190 OE2 76 GLU 43.2952 -1.3853 0.8838<br /> 1191 C 76 GLU 38.9236 0.1721 4.0075<br /> 1192 O 76 GLU 37.9232 -0.4345 4.3872<br /> 1193 N 77 GLY 39.1100 1.4760 4.1508<br /> 1194 H 77 GLY 39.9267 1.9617 3.8391<br /> 1195 CA 77 GLY 38.1066 2.3095 4.7908<br /> 1196 HA2 77 GLY 37.5721 1.7289 5.5426<br /> 1197 HA3 77 GLY 38.5925 3.1347 5.3115<br /> 1198 C 77 GLY 37.1151 2.8604 3.7639<br /> 1199 O 77 GLY 37.5091 3.2696 2.6729<br /> 1200 N 78 PHE 35.8476 2.8531 4.1495<br /> 1201 H 78 PHE 35.5355 2.5186 5.0387<br /> 1202 CA 78 PHE 34.7967 3.3470 3.2760<br /> 1203 HA 78 PHE 35.2669 3.6375 2.3366<br /> 1204 CB 78 PHE 33.7795 2.2154 3.1161<br /> 1205 HB2 78 PHE 33.6713 1.7002 4.0705<br /> 1206 HB3 78 PHE 32.8077 2.6456 2.8742<br /> 1207 CG 78 PHE 34.1504 1.1928 2.0400<br /> 1208 CD1 78 PHE 34.9522 0.1391 2.3508<br /> 1209 HD1 78 PHE 35.3306 0.0232 3.3665<br /> 1210 CE1 78 PHE 35.2964 -0.8098 1.3522<br /> 1211 HE1 78 PHE 35.9390 -1.6543 1.6012<br /> 1212 CZ 78 PHE 34.8243 -0.6651 0.0850<br /> 1213 HZ 78 PHE 35.0886 -1.3935 -0.6816<br /> 1214 CE2 78 PHE 34.0225 0.3885 -0.2258<br /> 1215 HE2 78 PHE 33.6442 0.5045 -1.2414<br /> 1216 CD2 78 PHE 33.6783 1.3375 0.7729<br /> 1217 HD2 78 PHE 33.0358 2.1820 0.5238<br /> 1218 C 78 PHE 34.0983 4.5616 3.8908<br /> 1219 O 78 PHE 34.1487 4.7634 5.1030<br /> 1220 N 79 PRO 33.4458 5.3595 3.0036<br /> 1221 CD 79 PRO 33.3648 5.1515 1.5607<br /> 1222 CA 79 PRO 32.7380 6.5487 3.4463<br /> 1223 HA 79 PRO 33.2771 7.0383 4.1318<br /> 1224 CB 79 PRO 32.5380 7.3785 2.1887<br /> 1225 HB2 79 PRO 31.5448 7.8273 2.1708<br /> 1226 HB3 79 PRO 33.2578 8.1957 2.1413<br /> 1227 CG 79 PRO 32.7239 6.4206 1.0232<br /> 1228 HG2 79 PRO 31.7646 6.1960 0.5569<br /> 1229 HG3 79 PRO 33.3536 6.8708 0.2558<br /> 1230 HD2 79 PRO 32.7660 4.2730 1.3203<br /> 1231 HD3 79 PRO 34.3521 4.9923 1.1276<br /> 1232 C 79 PRO 31.4224 6.1794 4.1347<br /> 1233 O 79 PRO 30.7902 7.0240 4.7670<br /> 1234 N 80 SER 31.0492 4.9166 3.9884<br /> 1235 H 80 SER 31.5692 4.2360 3.4724<br /> 1236 CA 80 SER 29.8204 4.4251 4.5883<br /> 1237 HA 80 SER 29.6313 5.0815 5.4376<br /> 1238 CB 80 SER 28.6524 4.5161 3.6043<br /> 1239 HB2 80 SER 28.3142 3.5117 3.3492<br /> 1240 HB3 80 SER 27.8141 5.0227 4.0824<br /> 1241 OG 80 SER 29.0105 5.2123 2.4136<br /> 1242 HG 80 SER 28.3709 5.9636 2.2511<br /> 1243 C 80 SER 30.0082 2.9808 5.0572<br /> 1244 O 80 SER 30.9006 2.2809 4.5811<br /> 1245 N 81 ILE 29.1526 2.5777 5.9849<br /> 1246 H 81 ILE 28.4296 3.1533 6.3669<br /> 1247 CA 81 ILE 29.2130 1.2295 6.5235<br /> 1248 HA 81 ILE 30.2356 1.0572 6.8591<br /> 1249 CB 81 ILE 28.3069 1.1013 7.7497<br /> 1250 HB 81 ILE 27.4232 1.7183 7.5873<br /> 1251 CG2 81 ILE 27.8252 -0.3401 7.9271<br /> 1252 HG21 81 ILE 27.5892 -0.5176 8.9764<br /> 1253 HG22 81 ILE 26.9334 -0.5023 7.3217<br /> 1254 HG23 81 ILE 28.6097 -1.0270 7.6098<br /> 1255 CG1 81 ILE 29.0040 1.6313 9.0044<br /> 1256 HG12 81 ILE 29.3709 2.6413 8.8216<br /> 1257 HG13 81 ILE 28.2873 1.6958 9.8230<br /> 1258 CD1 81 ILE 30.1685 0.7251 9.4088<br /> 1259 HD11 81 ILE 30.6278 1.1084 10.3198<br /> 1260 HD12 81 ILE 29.7986 -0.2849 9.5856<br /> 1261 HD13 81 ILE 30.9088 0.7059 8.6089<br /> 1262 C 81 ILE 28.8913 0.2267 5.4136<br /> 1263 O 81 ILE 29.6633 -0.6978 5.1645<br /> 1264 N 82 PRO 27.7199 0.4494 4.7596<br /> 1265 CD 82 PRO 26.7804 1.5344 5.0275<br /> 1266 CA 82 PRO 27.2866 -0.4237 3.6821<br /> 1267 HA 82 PRO 27.4578 -1.3798 3.9200<br /> 1268 CB 82 PRO 25.8021 -0.1407 3.5192<br /> 1269 HB2 82 PRO 25.5236 -0.1098 2.4658<br /> 1270 HB3 82 PRO 25.2020 -0.9227 3.9846<br /> 1271 CG 82 PRO 25.5583 1.2030 4.1868<br /> 1272 HG2 82 PRO 25.3891 1.9764 3.4375<br /> 1273 HG3 82 PRO 24.6652 1.1629 4.8105<br /> 1274 HD2 82 PRO 27.2018 2.5006 4.7501<br /> 1275 HD3 82 PRO 26.5296 1.5884 6.0868<br /> 1276 C 82 PRO 28.0890 -0.1601 2.4063<br /> 1277 O 82 PRO 27.9789 -0.9057 1.4342<br /> 1278 N 83 LEU 28.8786 0.9029 2.4511<br /> 1279 H 83 LEU 28.9624 1.5041 3.2457<br /> 1280 CA 83 LEU 29.6994 1.2740 1.3109<br /> 1281 HA 83 LEU 29.1523 0.9960 0.4102<br /> 1282 CB 83 LEU 29.9019 2.7900 1.2674<br /> 1283 HB2 83 LEU 29.4445 3.2234 2.1568<br /> 1284 HB3 83 LEU 30.9707 2.9956 1.3262<br /> 1285 CG 83 LEU 29.3398 3.5066 0.0379<br /> 1286 HG 83 LEU 29.7123 4.5310 0.0396<br /> 1287 CD1 83 LEU 29.8320 2.8490 -1.2527<br /> 1288 HD11 83 LEU 30.9040 2.6654 -1.1811<br /> 1289 HD12 83 LEU 29.3105 1.9031 -1.4004<br /> 1290 HD13 83 LEU 29.6320 3.5095 -2.0964<br /> 1291 CD2 83 LEU 27.8128 3.5811 0.0971<br /> 1292 HD21 83 LEU 27.3864 2.8482 -0.5879<br /> 1293 HD22 83 LEU 27.4776 3.3677 1.1121<br /> 1294 HD23 83 LEU 27.4864 4.5805 -0.1908<br /> 1295 C 83 LEU 31.0066 0.4799 1.3490<br /> 1296 O 83 LEU 31.7532 0.4593 0.3717<br /> 1297 N 84 LEU 31.2433 -0.1546 2.4877<br /> 1298 H 84 LEU 30.6308 -0.1327 3.2779<br /> 1299 CA 84 LEU 32.4474 -0.9482 2.6660<br /> 1300 HA 84 LEU 33.1183 -0.7142 1.8394<br /> 1301 CB 84 LEU 33.1649 -0.5505 3.9574<br /> 1302 HB2 84 LEU 33.6770 0.3968 3.7883<br /> 1303 HB3 84 LEU 32.4137 -0.3738 4.7273<br /> 1304 CG 84 LEU 34.1814 -1.5585 4.4977<br /> 1305 HG 84 LEU 33.6390 -2.4381 4.8442<br /> 1306 CD1 84 LEU 35.1346 -2.0210 3.3941<br /> 1307 HD11 84 LEU 34.9030 -3.0507 3.1219<br /> 1308 HD12 84 LEU 35.0179 -1.3792 2.5206<br /> 1309 HD13 84 LEU 36.1621 -1.9622 3.7532<br /> 1310 CD2 84 LEU 34.9327 -0.9875 5.7020<br /> 1311 HD21 84 LEU 35.4004 -1.8006 6.2573<br /> 1312 HD22 84 LEU 35.7003 -0.2949 5.3565<br /> 1313 HD23 84 LEU 34.2328 -0.4603 6.3503<br /> 1314 C 84 LEU 32.0890 -2.4339 2.5940<br /> 1315 O 84 LEU 32.8242 -3.2257 2.0061<br /> 1316 N 85 ILE 30.9593 -2.7674 3.2005<br /> 1317 H 85 ILE 30.3671 -2.1172 3.6765<br /> 1318 CA 85 ILE 30.4945 -4.1441 3.2126<br /> 1319 HA 85 ILE 31.2145 -4.7269 3.7870<br /> 1320 CB 85 ILE 29.1493 -4.2490 3.9340<br /> 1321 HB 85 ILE 28.4385 -3.5958 3.4280<br /> 1322 CG2 85 ILE 28.5928 -5.6719 3.8521<br /> 1323 HG21 85 ILE 28.0172 -5.7845 2.9333<br /> 1324 HG22 85 ILE 29.4172 -6.3852 3.8540<br /> 1325 HG23 85 ILE 27.9479 -5.8598 4.7104<br /> 1326 CG1 85 ILE 29.2627 -3.7602 5.3795<br /> 1327 HG12 85 ILE 29.5129 -2.6994 5.3897<br /> 1328 HG13 85 ILE 28.2999 -3.8655 5.8793<br /> 1329 CD1 85 ILE 30.3288 -4.5487 6.1428<br /> 1330 HD11 85 ILE 30.2684 -4.3078 7.2041<br /> 1331 HD12 85 ILE 30.1610 -5.6165 6.0025<br /> 1332 HD13 85 ILE 31.3165 -4.2835 5.7655<br /> 1333 C 85 ILE 30.4678 -4.6814 1.7803<br /> 1334 O 85 ILE 30.7426 -5.8579 1.5497<br /> 1335 N 86 ASP 30.1343 -3.7934 0.8553<br /> 1336 H 86 ASP 29.9123 -2.8383 1.0513<br /> 1337 CA 86 ASP 30.0682 -4.1637 -0.5482<br /> 1338 HA 86 ASP 29.4240 -5.0422 -0.5826<br /> 1339 CB 86 ASP 29.4816 -3.0289 -1.3901<br /> 1340 HB2 86 ASP 28.4057 -2.9890 -1.2199<br /> 1341 HB3 86 ASP 29.8951 -2.0839 -1.0377<br /> 1342 CG 86 ASP 29.7348 -3.1425 -2.8948<br /> 1343 OD1 86 ASP 29.1189 -4.0412 -3.5076<br /> 1344 OD2 86 ASP 30.5385 -2.3281 -3.3981<br /> 1345 C 86 ASP 31.4800 -4.4526 -1.0621<br /> 1346 O 86 ASP 31.6754 -5.3514 -1.8787<br /> 1347 N 87 HIS 32.4280 -3.6734 -0.5625<br /> 1348 H 87 HIS 32.2607 -2.9445 0.1013<br /> 1349 CA 87 HIS 33.8161 -3.8343 -0.9609<br /> 1350 HA 87 HIS 33.8453 -3.7233 -2.0448<br /> 1351 CB 87 HIS 34.6864 -2.7312 -0.3553<br /> 1352 HB2 87 HIS 34.3872 -1.7726 -0.7791<br /> 1353 HB3 87 HIS 34.4956 -2.6794 0.7166<br /> 1354 CG 87 HIS 36.1672 -2.9245 -0.5799<br /> 1355 ND1 87 HIS 36.7980 -2.5758 -1.7613<br /> 1356 CD2 87 HIS 37.1338 -3.4322 0.2376<br /> 1357 HD1 87 HIS 36.3568 -2.1733 -2.5634<br /> 1358 CE1 87 HIS 38.0859 -2.8659 -1.6492<br /> 1359 NE2 87 HIS 38.2919 -3.3970 -0.4098<br /> 1360 HD2 87 HIS 36.9807 -3.8039 1.2508<br /> 1361 HE1 87 HIS 38.8472 -2.7078 -2.4131<br /> 1362 C 87 HIS 34.2967 -5.2390 -0.5909<br /> 1363 O 87 HIS 34.8438 -5.9529 -1.4299<br /> 1364 N 88 LEU 34.0748 -5.5935 0.6662<br /> 1365 H 88 LEU 33.6291 -5.0067 1.3423<br /> 1366 CA 88 LEU 34.4782 -6.9000 1.1578<br /> 1367 HA 88 LEU 35.5474 -7.0029 0.9722<br /> 1368 CB 88 LEU 34.2710 -6.9905 2.6710<br /> 1369 HB2 88 LEU 33.4820 -6.2931 2.9521<br /> 1370 HB3 88 LEU 33.9113 -7.9915 2.9091<br /> 1371 CG 88 LEU 35.5004 -6.7016 3.5348<br /> 1372 HG 88 LEU 36.2947 -7.3866 3.2385<br /> 1373 CD1 88 LEU 36.0164 -5.2812 3.2964<br /> 1374 HD11 88 LEU 36.0436 -4.7410 4.2428<br /> 1375 HD12 88 LEU 37.0205 -5.3254 2.8743<br /> 1376 HD13 88 LEU 35.3529 -4.7652 2.6023<br /> 1377 CD2 88 LEU 35.2057 -6.9639 5.0131<br /> 1378 HD21 88 LEU 35.5639 -7.9570 5.2843<br /> 1379 HD22 88 LEU 35.7124 -6.2158 5.6229<br /> 1380 HD23 88 LEU 34.1309 -6.9057 5.1851<br /> 1381 C 88 LEU 33.7425 -7.9859 0.3702<br /> 1382 O 88 LEU 34.3180 -9.0259 0.0537<br /> 1383 N 89 LEU 32.4810 -7.7070 0.0765<br /> 1384 H 89 LEU 32.0204 -6.8587 0.3377<br /> 1385 CA 89 LEU 31.6605 -8.6471 -0.6681<br /> 1386 HA 89 LEU 31.8470 -9.6396 -0.2580<br /> 1387 CB 89 LEU 30.1754 -8.3436 -0.4603<br /> 1388 HB2 89 LEU 30.0379 -7.2628 -0.4917<br /> 1389 HB3 89 LEU 29.6189 -8.7602 -1.2999<br /> 1390 CG 89 LEU 29.5581 -8.8709 0.8366<br /> 1391 HG 89 LEU 30.0246 -8.3508 1.6731<br /> 1392 CD1 89 LEU 28.0599 -8.5664 0.8941<br /> 1393 HD11 89 LEU 27.5013 -9.5005 0.9552<br /> 1394 HD12 89 LEU 27.8463 -7.9573 1.7726<br /> 1395 HD13 89 LEU 27.7645 -8.0244 -0.0043<br /> 1396 CD2 89 LEU 29.8469 -10.3628 1.0144<br /> 1397 HD21 89 LEU 29.5822 -10.8956 0.1009<br /> 1398 HD22 89 LEU 30.9071 -10.5053 1.2238<br /> 1399 HD23 89 LEU 29.2572 -10.7506 1.8450<br /> 1400 C 89 LEU 32.0900 -8.6405 -2.1365<br /> 1401 O 89 LEU 31.6584 -9.4876 -2.9170<br /> 1402 N 90 SER 32.9346 -7.6752 -2.4685<br /> 1403 H 90 SER 33.2808 -6.9902 -1.8276<br /> 1404 CA 90 SER 33.4272 -7.5472 -3.8295<br /> 1405 HA 90 SER 32.6965 -8.0650 -4.4508<br /> 1406 CB 90 SER 33.5047 -6.0786 -4.2513<br /> 1407 HB2 90 SER 32.5341 -5.6060 -4.0993<br /> 1408 HB3 90 SER 34.2172 -5.5553 -3.6137<br /> 1409 OG 90 SER 33.8935 -5.9344 -5.6147<br /> 1410 HG 90 SER 34.7598 -5.4383 -5.6726<br /> 1411 C 90 SER 34.8016 -8.2081 -3.9529<br /> 1412 O 90 SER 35.2102 -8.6000 -5.0449<br /> 1413 N 91 THR 35.4771 -8.3113 -2.8178<br /> 1414 H 91 THR 35.1376 -7.9900 -1.9338<br /> 1415 CA 91 THR 36.7970 -8.9180 -2.7849<br /> 1416 HA 91 THR 37.1574 -9.0123 -3.8093<br /> 1417 CB 91 THR 37.7251 -7.9885 -2.0005<br /> 1418 HB 91 THR 38.7658 -8.2921 -2.1130<br /> 1419 OG1 91 THR 37.2414 -8.0634 -0.6622<br /> 1420 HG1 91 THR 37.6710 -7.3545 -0.1030<br /> 1421 CG2 91 THR 37.5403 -6.5183 -2.3817<br /> 1422 HG21 91 THR 37.7653 -6.3862 -3.4400<br /> 1423 HG22 91 THR 36.5096 -6.2199 -2.1894<br /> 1424 HG23 91 THR 38.2141 -5.9013 -1.7872<br /> 1425 C 91 THR 36.7200 -10.3313 -2.2043<br /> 1426 O 91 THR 37.6059 -11.1518 -2.4388<br /> 1427 N 92 GLN 35.6524 -10.5724 -1.4576<br /> 1428 H 92 GLN 34.9364 -9.8995 -1.2718<br /> 1429 CA 92 GLN 35.4481 -11.8724 -0.8416<br /> 1430 HA 92 GLN 34.5375 -11.7731 -0.2507<br /> 1431 CB 92 GLN 35.2418 -12.9555 -1.9023<br /> 1432 HB2 92 GLN 35.9512 -12.8112 -2.7172<br /> 1433 HB3 92 GLN 35.4467 -13.9355 -1.4713<br /> 1434 CG 92 GLN 33.8136 -12.9217 -2.4500<br /> 1435 HG2 92 GLN 33.5616 -11.9062 -2.7557<br /> 1436 HG3 92 GLN 33.7466 -13.5483 -3.3393<br /> 1437 CD 92 GLN 32.8121 -13.4075 -1.4003<br /> 1438 OE1 92 GLN 32.5745 -14.5925 -1.2331<br /> 1439 NE2 92 GLN 32.2402 -12.4289 -0.7045<br /> 1440 HE21 92 GLN 32.4799 -11.4762 -0.8916<br /> 1441 HE22 92 GLN 31.5705 -12.6458 0.0058<br /> 1442 C 92 GLN 36.6254 -12.2175 0.0727<br /> 1443 O 92 GLN 37.2444 -13.2698 -0.0770<br /> 1444 N 93 GLN 36.8991 -11.3111 0.9994<br /> 1445 H 93 GLN 36.3906 -10.4578 1.1145<br /> 1446 CA 93 GLN 37.9912 -11.5065 1.9378<br /> 1447 HA 93 GLN 38.4942 -12.4167 1.6115<br /> 1448 CB 93 GLN 38.9789 -10.3395 1.8803<br /> 1449 HB2 93 GLN 38.4685 -9.4130 2.1437<br /> 1450 HB3 93 GLN 39.7678 -10.4893 2.6173<br /> 1451 CG 93 GLN 39.5943 -10.2103 0.4854<br /> 1452 HG2 93 GLN 38.8039 -10.1994 -0.2650<br /> 1453 HG3 93 GLN 40.1240 -9.2612 0.4044<br /> 1454 CD 93 GLN 40.5580 -11.3644 0.2023<br /> 1455 OE1 93 GLN 41.1111 -11.9796 1.0991<br /> 1456 NE2 93 GLN 40.7274 -11.6229 -1.0913<br /> 1457 HE21 93 GLN 40.2431 -11.0798 -1.7773<br /> 1458 HE22 93 GLN 41.3392 -12.3602 -1.3779<br /> 1459 C 93 GLN 37.4461 -11.6940 3.3551<br /> 1460 O 93 GLN 36.3558 -11.2211 3.6723<br /> 1461 N 94 PRO 38.2506 -12.4034 4.1912<br /> 1462 CD 94 PRO 39.5484 -12.9786 3.8501<br /> 1463 CA 94 PRO 37.8602 -12.6592 5.5672<br /> 1464 HA 94 PRO 36.8910 -12.9013 5.6136<br /> 1465 CB 94 PRO 38.7495 -13.8049 6.0219<br /> 1466 HB2 94 PRO 39.0975 -13.6476 7.0429<br /> 1467 HB3 94 PRO 38.2053 -14.7493 6.0127<br /> 1468 CG 94 PRO 39.9161 -13.8389 5.0480<br /> 1469 HG2 94 PRO 40.8219 -13.4634 5.5241<br /> 1470 HG3 94 PRO 40.1217 -14.8623 4.7344<br /> 1471 HD2 94 PRO 40.2929 -12.2014 3.6772<br /> 1472 HD3 94 PRO 39.4907 -13.5731 2.9384<br /> 1473 C 94 PRO 38.0188 -11.4022 6.4250<br /> 1474 O 94 PRO 38.9835 -10.6558 6.2663<br /> 1475 N 95 LEU 37.0573 -11.2069 7.3153<br /> 1476 H 95 LEU 36.2760 -11.8189 7.4379<br /> 1477 CA 95 LEU 37.0782 -10.0533 8.1985<br /> 1478 HA 95 LEU 37.1138 -9.1624 7.5715<br /> 1479 CB 95 LEU 35.7864 -9.9803 9.0152<br /> 1480 HB2 95 LEU 35.6745 -10.9146 9.5654<br /> 1481 HB3 95 LEU 35.8916 -9.1859 9.7541<br /> 1482 CG 95 LEU 34.5031 -9.7323 8.2198<br /> 1483 HG 95 LEU 34.7779 -9.5092 7.1889<br /> 1484 CD1 95 LEU 33.6244 -10.9844 8.1924<br /> 1485 HD11 95 LEU 33.8301 -11.5920 9.0737<br /> 1486 HD12 95 LEU 32.5744 -10.6915 8.1900<br /> 1487 HD13 95 LEU 33.8425 -11.5618 7.2939<br /> 1488 CD2 95 LEU 33.7498 -8.5151 8.7600<br /> 1489 HD21 95 LEU 33.0893 -8.1237 7.9862<br /> 1490 HD22 95 LEU 33.1588 -8.8092 9.6275<br /> 1491 HD23 95 LEU 34.4645 -7.7454 9.0512<br /> 1492 C 95 LEU 38.3455 -10.0948 9.0546<br /> 1493 O 95 LEU 38.8983 -9.0525 9.4025<br /> 1494 N 96 THR 38.7689 -11.3101 9.3696<br /> 1495 H 96 THR 38.3134 -12.1528 9.0827<br /> 1496 CA 96 THR 39.9608 -11.5011 10.1785<br /> 1497 HA 96 THR 40.4906 -10.5506 10.2394<br /> 1498 CB 96 THR 39.5181 -11.9298 11.5789<br /> 1499 HB 96 THR 40.2483 -12.6020 12.0291<br /> 1500 OG1 96 THR 38.2375 -12.5199 11.3727<br /> 1501 HG1 96 THR 38.2017 -12.9536 10.4724<br /> 1502 CG2 96 THR 39.2356 -10.7369 12.4945<br /> 1503 HG21 96 THR 39.9782 -10.7070 13.2918<br /> 1504 HG22 96 THR 39.2867 -9.8146 11.9158<br /> 1505 HG23 96 THR 38.2409 -10.8392 12.9281<br /> 1506 C 96 THR 40.9060 -12.4998 9.5077<br /> 1507 O 96 THR 40.4711 -13.3397 8.7213<br /> 1508 N 97 LYS 42.1817 -12.3753 9.8431<br /> 1509 H 97 LYS 42.5271 -11.6894 10.4836<br /> 1510 CA 97 LYS 43.1922 -13.2565 9.2831<br /> 1511 HA 97 LYS 42.9541 -13.3983 8.2289<br /> 1512 CB 97 LYS 44.5725 -12.6001 9.3507<br /> 1513 HB2 97 LYS 44.5592 -11.6584 8.8021<br /> 1514 HB3 97 LYS 44.8155 -12.3616 10.3862<br /> 1515 CG 97 LYS 45.6467 -13.5209 8.7681<br /> 1516 HG2 97 LYS 46.6346 -13.1582 9.0521<br /> 1517 HG3 97 LYS 45.5410 -14.5207 9.1891<br /> 1518 CD 97 LYS 45.5415 -13.5899 7.2433<br /> 1519 HD2 97 LYS 44.5792 -14.0168 6.9605<br /> 1520 HD3 97 LYS 45.5783 -12.5833 6.8267<br /> 1521 CE 97 LYS 46.6732 -14.4336 6.6533<br /> 1522 HE2 97 LYS 46.5284 -14.5467 5.5789<br /> 1523 HE3 97 LYS 47.6263 -13.9240 6.7946<br /> 1524 NZ 97 LYS 46.7163 -15.7657 7.2969<br /> 1525 HZ1 97 LYS 47.2682 -16.3870 6.7405<br /> 1526 HZ2 97 LYS 47.1224 -15.6832 8.2070<br /> 1527 HZ3 97 LYS 45.7872 -16.1269 7.3780<br /> 1528 C 97 LYS 43.1224 -14.6152 9.9831<br /> 1529 O 97 LYS 42.8962 -15.6385 9.3390<br /> 1530 N 98 LYS 43.3207 -14.5813 11.2926<br /> 1531 H 98 LYS 43.5041 -13.7448 11.8089<br /> 1532 CA 98 LYS 43.2831 -15.7974 12.0870<br /> 1533 HA 98 LYS 44.1153 -16.4235 11.7654<br /> 1534 CB 98 LYS 43.5031 -15.4776 13.5669<br /> 1535 HB2 98 LYS 42.9067 -14.6098 13.8483<br /> 1536 HB3 98 LYS 43.1588 -16.3119 14.1781<br /> 1537 CG 98 LYS 44.9806 -15.2030 13.8548<br /> 1538 HG2 98 LYS 45.3954 -14.5682 13.0718<br /> 1539 HG3 98 LYS 45.0764 -14.6560 14.7927<br /> 1540 CD 98 LYS 45.7752 -16.5080 13.9355<br /> 1541 HD2 98 LYS 45.3469 -17.1518 14.7038<br /> 1542 HD3 98 LYS 45.6969 -17.0447 12.9901<br /> 1543 CE 98 LYS 47.2468 -16.2350 14.2530<br /> 1544 HE2 98 LYS 47.7861 -17.1778 14.3444<br /> 1545 HE3 98 LYS 47.7056 -15.6835 13.4325<br /> 1546 NZ 98 LYS 47.3712 -15.4618 15.5089<br /> 1547 HZ1 98 LYS 46.7007 -15.7937 16.1725<br /> 1548 HZ2 98 LYS 48.2926 -15.5756 15.8804<br /> 1549 HZ3 98 LYS 47.2044 -14.4936 15.3221<br /> 1550 C 98 LYS 41.9776 -16.5443 11.8067<br /> 1551 O 98 LYS 41.9514 -17.7740 11.7980<br /> 1552 N 99 SER 40.9260 -15.7697 11.5843<br /> 1553 H 99 SER 40.9558 -14.7702 11.5932<br /> 1554 CA 99 SER 39.6203 -16.3426 11.3044<br /> 1555 HA 99 SER 39.6044 -17.2960 11.8323<br /> 1556 CB 99 SER 38.5002 -15.4469 11.8371<br /> 1557 HB2 99 SER 38.8770 -14.8507 12.6683<br /> 1558 HB3 99 SER 38.1925 -14.7492 11.0583<br /> 1559 OG 99 SER 37.3721 -16.2028 12.2692<br /> 1560 HG 99 SER 36.5547 -15.6267 12.2707<br /> 1561 C 99 SER 39.4559 -16.5595 9.7988<br /> 1562 O 99 SER 40.4161 -16.4308 9.0409<br /> 1563 N 100 GLY 38.2317 -16.8849 9.4104<br /> 1564 H 100 GLY 37.4562 -16.9876 10.0333<br /> 1565 CA 100 GLY 37.9291 -17.1209 8.0089<br /> 1566 HA2 100 GLY 38.6468 -16.5896 7.3839<br /> 1567 HA3 100 GLY 38.0348 -18.1822 7.7842<br /> 1568 C 100 GLY 36.5099 -16.6609 7.6694<br /> 1569 O 100 GLY 35.8559 -17.2408 6.8040<br /> 1570 N 101 VAL 36.0754 -15.6228 8.3687<br /> 1571 H 101 VAL 36.6137 -15.1568 9.0709<br /> 1572 CA 101 VAL 34.7457 -15.0783 8.1523<br /> 1573 HA 101 VAL 34.1160 -15.8864 7.7802<br /> 1574 CB 101 VAL 34.1575 -14.5912 9.4781<br /> 1575 HB 101 VAL 34.7494 -13.7401 9.8147<br /> 1576 CG1 101 VAL 32.7140 -14.1178 9.2964<br /> 1577 HG11 101 VAL 32.7005 -13.0360 9.1635<br /> 1578 HG12 101 VAL 32.2823 -14.5972 8.4178<br /> 1579 HG13 101 VAL 32.1310 -14.3828 10.1784<br /> 1580 CG2 101 VAL 34.2471 -15.6791 10.5502<br /> 1581 HG21 101 VAL 34.4989 -16.6307 10.0819<br /> 1582 HG22 101 VAL 35.0190 -15.4143 11.2728<br /> 1583 HG23 101 VAL 33.2875 -15.7674 11.0595<br /> 1584 C 101 VAL 34.8161 -13.9795 7.0899<br /> 1585 O 101 VAL 35.4773 -12.9614 7.2876<br /> 1586 N 102 VAL 34.1250 -14.2230 5.9860<br /> 1587 H 102 VAL 33.5898 -15.0537 5.8331<br /> 1588 CA 102 VAL 34.1008 -13.2669 4.8921<br /> 1589 HA 102 VAL 34.8473 -12.5024 5.1069<br /> 1590 CB 102 VAL 34.4928 -13.9578 3.5844<br /> 1591 HB 102 VAL 33.5767 -14.1983 3.0448<br /> 1592 CG1 102 VAL 35.3279 -13.0279 2.7020<br /> 1593 HG11 102 VAL 35.0720 -13.1935 1.6555<br /> 1594 HG12 102 VAL 35.1197 -11.9914 2.9673<br /> 1595 HG13 102 VAL 36.3868 -13.2364 2.8545<br /> 1596 CG2 102 VAL 35.2349 -15.2676 3.8574<br /> 1597 HG21 102 VAL 34.5656 -15.9665 4.3593<br /> 1598 HG22 102 VAL 35.5696 -15.6989 2.9140<br /> 1599 HG23 102 VAL 36.0979 -15.0706 4.4933<br /> 1600 C 102 VAL 32.7225 -12.6056 4.8290<br /> 1601 O 102 VAL 31.7497 -13.1379 5.3612<br /> 1602 N 103 LEU 32.6832 -11.4547 4.1738<br /> 1603 H 103 LEU 33.4791 -11.0286 3.7438<br /> 1604 CA 103 LEU 31.4403 -10.7151 4.0342<br /> 1605 HA 103 LEU 30.8210 -10.9506 4.8998<br /> 1606 CB 103 LEU 31.7068 -9.2088 4.0651<br /> 1607 HB2 103 LEU 32.7256 -9.0330 3.7197<br /> 1608 HB3 103 LEU 31.0401 -8.7273 3.3496<br /> 1609 CG 103 LEU 31.5328 -8.5245 5.4225<br /> 1610 HG 103 LEU 30.6504 -8.9438 5.9058<br /> 1611 CD1 103 LEU 32.7264 -8.8083 6.3365<br /> 1612 HD11 103 LEU 33.2059 -9.7380 6.0298<br /> 1613 HD12 103 LEU 33.4423 -7.9893 6.2643<br /> 1614 HD13 103 LEU 32.3818 -8.8997 7.3665<br /> 1615 CD2 103 LEU 31.2850 -7.0243 5.2526<br /> 1616 HD21 103 LEU 30.2461 -6.8576 4.9680<br /> 1617 HD22 103 LEU 31.4906 -6.5132 6.1931<br /> 1618 HD23 103 LEU 31.9419 -6.6334 4.4755<br /> 1619 C 103 LEU 30.7110 -11.1849 2.7739<br /> 1620 O 103 LEU 31.1134 -10.8536 1.6598<br /> 1621 N 104 HIS 29.6512 -11.9493 2.9924<br /> 1622 H 104 HIS 29.3306 -12.2141 3.9018<br /> 1623 CA 104 HIS 28.8621 -12.4680 1.8880<br /> 1624 HA 104 HIS 29.5638 -12.7164 1.0918<br /> 1625 CB 104 HIS 28.1413 -13.7553 2.2930<br /> 1626 HB2 104 HIS 28.7184 -14.2532 3.0722<br /> 1627 HB3 104 HIS 27.1753 -13.4976 2.7272<br /> 1628 CG 104 HIS 27.9231 -14.7216 1.1531<br /> 1629 ND1 104 HIS 27.9229 -14.3280 -0.1737<br /> 1630 CD2 104 HIS 27.6992 -16.0671 1.1558<br /> 1631 HD1 104 HIS 28.0622 -13.3956 -0.5073<br /> 1632 CE1 104 HIS 27.7068 -15.3964 -0.9268<br /> 1633 NE2 104 HIS 27.5679 -16.4730 -0.1010<br /> 1634 HD2 104 HIS 27.6383 -16.7010 2.0403<br /> 1635 HE1 104 HIS 27.6502 -15.4122 -2.0153<br /> 1636 C 104 HIS 27.9046 -11.3845 1.3880<br /> 1637 O 104 HIS 27.8627 -11.0906 0.1944<br /> 1638 N 105 ARG 27.1590 -10.8199 2.3265<br /> 1639 H 105 ARG 27.1992 -11.0648 3.2952<br /> 1640 CA 105 ARG 26.2046 -9.7752 1.9963<br /> 1641 HA 105 ARG 26.7853 -9.0281 1.4554<br /> 1642 CB 105 ARG 25.0800 -10.3163 1.1112<br /> 1643 HB2 105 ARG 25.5060 -10.8302 0.2495<br /> 1644 HB3 105 ARG 24.4980 -11.0524 1.6657<br /> 1645 CG 105 ARG 24.1641 -9.1864 0.6365<br /> 1646 HG2 105 ARG 23.4238 -8.9662 1.4056<br /> 1647 HG3 105 ARG 24.7482 -8.2784 0.4870<br /> 1648 CD 105 ARG 23.4569 -9.5647 -0.6665<br /> 1649 HD2 105 ARG 23.8661 -8.9848 -1.4936<br /> 1650 HD3 105 ARG 23.6352 -10.6155 -0.8949<br /> 1651 NE 105 ARG 22.0033 -9.3143 -0.5446<br /> 1652 HE 105 ARG 21.6200 -8.5307 -1.0336<br /> 1653 CZ 105 ARG 21.1688 -10.0718 0.1799<br /> 1654 NH1 105 ARG 19.8643 -9.7693 0.2329<br /> 1655 HH11 105 ARG 19.2414 -10.3347 0.7735<br /> 1656 HH12 105 ARG 19.5138 -8.9781 -0.2684<br /> 1657 NH2 105 ARG 21.6384 -11.1319 0.8516<br /> 1658 HH21 105 ARG 21.0153 -11.6973 1.3923<br /> 1659 HH22 105 ARG 22.6118 -11.3578 0.8121<br /> 1660 C 105 ARG 25.6008 -9.1852 3.2724<br /> 1661 O 105 ARG 25.5423 -9.8546 4.3027<br /> 1662 N 106 ALA 25.1670 -7.9382 3.1620<br /> 1663 H 106 ALA 25.2183 -7.4008 2.3203<br /> 1664 CA 106 ALA 24.5699 -7.2506 4.2942<br /> 1665 HA 106 ALA 25.1221 -7.5412 5.1879<br /> 1666 CB 106 ALA 24.7039 -5.7387 4.1020<br /> 1667 HB1 106 ALA 24.8584 -5.2616 5.0699<br /> 1668 HB2 106 ALA 25.5545 -5.5289 3.4535<br /> 1669 HB3 106 ALA 23.7942 -5.3484 3.6458<br /> 1670 C 106 ALA 23.1127 -7.6925 4.4431<br /> 1671 O 106 ALA 22.4390 -7.9667 3.4511<br /> 1672 N 107 VAL 22.6690 -7.7480 5.6902<br /> 1673 H 107 VAL 23.2234 -7.5234 6.4915<br /> 1674 CA 107 VAL 21.3040 -8.1520 5.9817<br /> 1675 HA 107 VAL 21.0522 -8.9707 5.3076<br /> 1676 CB 107 VAL 21.2076 -8.6732 7.4170<br /> 1677 HB 107 VAL 21.4867 -7.8608 8.0880<br /> 1678 CG1 107 VAL 19.7747 -9.0901 7.7538<br /> 1679 HG11 107 VAL 19.0974 -8.2608 7.5492<br /> 1680 HG12 107 VAL 19.4929 -9.9482 7.1436<br /> 1681 HG13 107 VAL 19.7126 -9.3581 8.8085<br /> 1682 CG2 107 VAL 22.1835 -9.8289 7.6472<br /> 1683 HG21 107 VAL 21.7752 -10.7412 7.2125<br /> 1684 HG22 107 VAL 23.1385 -9.5973 7.1753<br /> 1685 HG23 107 VAL 22.3323 -9.9712 8.7175<br /> 1686 C 107 VAL 20.3600 -6.9797 5.7068<br /> 1687 O 107 VAL 20.6266 -5.8529 6.1217<br /> 1688 N 108 PRO 19.2473 -7.2935 4.9905<br /> 1689 CD 108 PRO 18.8987 -8.6171 4.4827<br /> 1690 CA 108 PRO 18.2624 -6.2793 4.6553<br /> 1691 HA 108 PRO 18.7166 -5.4339 4.3740<br /> 1692 CB 108 PRO 17.4451 -6.8830 3.5249<br /> 1693 HB2 108 PRO 16.3851 -6.6605 3.6472<br /> 1694 HB3 108 PRO 17.7478 -6.4723 2.5616<br /> 1695 CG 108 PRO 17.6975 -8.3809 3.5819<br /> 1696 HG2 108 PRO 16.8215 -8.9011 3.9693<br /> 1697 HG3 108 PRO 17.8859 -8.7745 2.5831<br /> 1698 HD2 108 PRO 18.6558 -9.3017 5.2954<br /> 1699 HD3 108 PRO 19.7272 -9.0600 3.9300<br /> 1700 C 108 PRO 17.4155 -5.9127 5.8758<br /> 1701 O 108 PRO 16.8265 -6.7853 6.5118<br /> 1702 N 109 SER 17.3813 -4.6204 6.1659<br /> 1703 H 109 SER 17.8633 -3.9171 5.6434<br /> 1704 CA 109 SER 16.6163 -4.1276 7.2986<br /> 1705 HA 109 SER 16.5596 -4.9646 7.9945<br /> 1706 CB 109 SER 17.3260 -2.9519 7.9729<br /> 1707 HB2 109 SER 18.1070 -3.3300 8.6328<br /> 1708 HB3 109 SER 17.8170 -2.3417 7.2150<br /> 1709 OG 109 SER 16.4237 -2.1422 8.7220<br /> 1710 HG 109 SER 16.2622 -1.2786 8.2445<br /> 1711 C 109 SER 15.2160 -3.7120 6.8433<br /> 1712 O 109 SER 14.2336 -3.9583 7.5413<br /> 1713 N 110 GLY 15.1692 -3.0886 5.6751<br /> 1714 H 110 GLY 15.9729 -2.8921 5.1136<br /> 1715 CA 110 GLY 13.9056 -2.6363 5.1183<br /> 1716 HA2 110 GLY 13.8356 -2.9388 4.0734<br /> 1717 HA3 110 GLY 13.0800 -3.1151 5.6447<br /> 1718 C 110 GLY 13.7723 -1.1158 5.2248<br /> 1719 O 110 GLY 14.7061 -0.4352 5.6464<br /> 1720 N 111 PRO 12.5729 -0.6146 4.8251<br /> 1721 CD 111 PRO 11.4439 -1.3905 4.3202<br /> 1722 CA 111 PRO 12.3053 0.8128 4.8715<br /> 1723 HA 111 PRO 13.1013 1.3258 4.5501<br /> 1724 CB 111 PRO 11.1008 1.0169 3.9673<br /> 1725 HB2 111 PRO 10.4030 1.7328 4.4018<br /> 1726 HB3 111 PRO 11.4027 1.4142 2.9982<br /> 1727 CG 111 PRO 10.4551 -0.3511 3.8179<br /> 1728 HG2 111 PRO 9.5274 -0.3997 4.3881<br /> 1729 HG3 111 PRO 10.1987 -0.5405 2.7756<br /> 1730 HD2 111 PRO 11.0054 -2.0078 5.1044<br /> 1731 HD3 111 PRO 11.7520 -2.0632 3.5200<br /> 1732 C 111 PRO 12.0601 1.2783 6.3083<br /> 1733 O 111 PRO 11.2962 0.6559 7.0444<br /> 1734 N 112 SER 12.7226 2.3692 6.6641<br /> 1735 H 112 SER 13.3420 2.8695 6.0592<br /> 1736 CA 112 SER 12.5861 2.9254 7.9995<br /> 1737 HA 112 SER 11.8434 2.3020 8.4972<br /> 1738 CB 112 SER 13.9087 2.8511 8.7649<br /> 1739 HB2 112 SER 13.9598 3.6715 9.4810<br /> 1740 HB3 112 SER 13.9443 1.9249 9.3383<br /> 1741 OG 112 SER 15.0342 2.9125 7.8930<br /> 1742 HG 112 SER 14.9314 2.2463 7.1543<br /> 1743 C 112 SER 12.1019 4.3744 7.9158<br /> 1744 O 112 SER 12.6706 5.1813 7.1820<br /> 1745 N 113 SER 11.0565 4.6603 8.6779<br /> 1746 H 113 SER 10.5998 3.9981 9.2720<br /> 1747 CA 113 SER 10.4893 5.9979 8.6993<br /> 1748 HA 113 SER 10.3872 6.2847 7.6527<br /> 1749 CB 113 SER 9.1118 6.0014 9.3650<br /> 1750 HB2 113 SER 9.1254 5.3379 10.2298<br /> 1751 HB3 113 SER 8.8904 7.0025 9.7349<br /> 1752 OG 113 SER 8.0842 5.5895 8.4677<br /> 1753 HG 113 SER 8.3537 5.7870 7.5252<br /> 1754 C 113 SER 11.4339 6.9552 9.4288<br /> 1755 O 113 SER 11.5763 6.8832 10.6485<br /> 1756 N 114 GLY 12.0550 7.8298 8.6511<br /> 1757 H 114 GLY 11.9336 7.8817 7.6599<br /> 1758 CA 114 GLY 12.9820 8.8004 9.2080<br /> 1759 HA2 114 GLY 12.7891 8.9229 10.2737<br /> 1760 HA3 114 GLY 14.0029 8.4316 9.1092<br /> 1761 C 114 GLY 12.8513 10.1513 8.5017<br /> 1762 O 114 GLY 13.2827 10.3031 7.3599</div>

Donata https://cyana.org/w/index.php?title=Distance_restraint_file&diff=6581 2009-07-22T08:29:51Z

<p>Donata: </p> <hr /> <div>The upper and lower distance limit files are used to enter distance constraints<br /> into the program CYANA. For each distance constraint there is a<br /> line with the following data: residue number, residue name and atom<br /> name of the first and second atom, respectively, the distance limit in Å,<br /> and, optionally, the relative weight of the constraint. The default relative<br /> weight is 1. Relative weights should be positive. The weight of a constraint<br /> in the target function equals the relative weight times the weight ing factor for the corresponding type of constraints.<br /> <br /> # Upper distance limit<br /> 91 THR HB 93 GLN H 5.50<br /> 81 ILE HB 82 PRO HA 5.19<br /> 80 SER HB3 82 PRO HD2 3.86<br /> 27 GLU HB2 28 VAL HA 5.50<br /> 28 VAL HA 32 LEU QD1 5.50<br /> 81 ILE HA 84 LEU HB3 3.74<br /> 81 ILE HA 81 ILE QG2 3.46<br /> 81 ILE HA 81 ILE HG12 3.77<br /> 81 ILE HA 81 ILE HG13 3.77<br /> 28 VAL HA 31 LEU HB2 4.12<br /> 28 VAL HA 39 LEU QD1 4.59<br /> 28 VAL HA 31 LEU QD1 3.38<br /> 28 VAL HA 39 LEU QD2 4.93<br /> 28 VAL HA 31 LEU HB3 5.30<br /> 28 VAL HA 28 VAL QG1 3.53<br /> 32 LEU QD2 52 SER HB3 4.57<br /> 8 GLU QG 9 VAL HA 5.50<br /> 9 VAL HA 10 GLN QG 5.50<br /> 33 VAL HA 33 VAL QG1 3.39<br /> 33 VAL HA 33 VAL QG2 3.39<br /> 43 SER QB 46 LYS HG2 5.50<br /> 43 SER QB 46 LYS HG3 5.50<br /> 9 VAL HA 9 VAL QG1 3.99<br /> 99 SER QB 101 VAL H 5.50<br /> 62 PHE QE 99 SER QB 4.71<br /> 42 GLU HA 43 SER QB 5.50<br /> 42 GLU HG3 43 SER QB 5.26<br /> 43 SER QB 48 GLU HB2 4.43<br /> 43 SER QB 48 GLU HB3 4.43<br /> 43 SER QB 46 LYS QD 4.91<br /> ...<br /> 95 LEU H 101 VAL QQG 4.75<br /> 95 LEU HG 101 VAL QQG 5.23<br /> 97 LYS HA 97 LYS QD 3.44<br /> 99 SER HA 101 VAL QQG 4.62<br /> 99 SER QB 101 VAL QQG 3.60<br /> 99 SER HG 101 VAL QQG 4.20<br /> 100 GLY H 101 VAL QQG 4.87<br /> 101 VAL H 101 VAL QQG 2.96<br /> 101 VAL HA 101 VAL QQG 3.06<br /> 101 VAL QQG 102 VAL HA 5.44<br /> 101 VAL QQG 102 VAL HB 5.44<br /> 101 VAL QQG 103 LEU H 5.44<br /> 101 VAL QQG 103 LEU QD1 5.44<br /> 102 VAL HB 104 HIS QB 5.34<br /> 105 ARG H 105 ARG QG 4.99<br /> 105 ARG QG 106 ALA H 3.62<br /> 105 ARG QD 106 ALA H 5.34<br /> 106 ALA H 107 VAL QQG 5.44<br /> 106 ALA HA 107 VAL QQG 4.05<br /> 107 VAL H 107 VAL QQG 3.03<br /> 107 VAL HA 107 VAL QQG 2.99<br /> 107 VAL HA 108 PRO QG 5.11<br /> 107 VAL QQG 108 PRO QG 5.28<br /> 107 VAL QQG 108 PRO QD 3.51<br /> 107 VAL QQG 109 SER QB 5.28<br /> 108 PRO QB 109 SER H 3.46<br /> 108 PRO QB 110 GLY H 3.89<br /> 109 SER H 109 SER QB 3.02<br /> 109 SER QB 110 GLY H 3.53<br /> 110 GLY QA 111 PRO QG 4.18<br /> 110 GLY QA 111 PRO QD 2.70<br /> <br /> # Lower distance limit<br /> 81 ILE O 85 ILE H 1.80 <br /> 81 ILE O 85 ILE N 2.70 <br /> 82 PRO O 86 ASP H 1.80 <br /> 82 PRO O 86 ASP N 2.70 <br /> 83 LEU O 87 HIS H 1.80 <br /> 83 LEU O 87 HIS N 2.70 <br /> 84 LEU O 88 LEU H 1.80 <br /> 84 LEU O 88 LEU N 2.70 <br /> 85 ILE O 89 LEU H 1.80 <br /> 85 ILE O 89 LEU N 2.70 <br /> 86 ASP O 90 SER H 1.80 <br /> 86 ASP O 90 SER N 2.70 <br /> 87 HIS O 91 THR H 1.80 <br /> 87 HIS O 91 THR N 2.70</div>

Donata https://cyana.org/w/index.php?title=Distance_restraint_file&diff=6580 2009-07-22T08:25:53Z

<p>Donata: </p> <hr /> <div>The upper and lower distance limit files are used to enter distance constraints<br /> into the program CYANA. For each distance constraint there is a<br /> line with the following data: residue number, residue name and atom<br /> name of the first and second atom, respectively, the distance limit in Å,<br /> and, optionally, the relative weight of the constraint. The default relative<br /> weight is 1. Relative weights should be positive. The weight of a constraint<br /> in the target function equals the relative weight times the weight ing factor for the corresponding type of constraints.<br /> <br /> # Upper distance limit<br /> 91 THR HB 93 GLN H 5.50<br /> 81 ILE HB 82 PRO HA 5.19<br /> 80 SER HB3 82 PRO HD2 3.86<br /> 27 GLU HB2 28 VAL HA 5.50<br /> 28 VAL HA 32 LEU QD1 5.50<br /> 81 ILE HA 84 LEU HB3 3.74<br /> 81 ILE HA 81 ILE QG2 3.46<br /> 81 ILE HA 81 ILE HG12 3.77<br /> 81 ILE HA 81 ILE HG13 3.77<br /> 28 VAL HA 31 LEU HB2 4.12<br /> 28 VAL HA 39 LEU QD1 4.59<br /> 28 VAL HA 31 LEU QD1 3.38<br /> 28 VAL HA 39 LEU QD2 4.93<br /> 28 VAL HA 31 LEU HB3 5.30<br /> 28 VAL HA 28 VAL QG1 3.53<br /> 32 LEU QD2 52 SER HB3 4.57<br /> 8 GLU QG 9 VAL HA 5.50<br /> 9 VAL HA 10 GLN QG 5.50<br /> 33 VAL HA 33 VAL QG1 3.39<br /> 33 VAL HA 33 VAL QG2 3.39<br /> 43 SER QB 46 LYS HG2 5.50<br /> 43 SER QB 46 LYS HG3 5.50<br /> 9 VAL HA 9 VAL QG1 3.99<br /> 99 SER QB 101 VAL H 5.50<br /> 62 PHE QE 99 SER QB 4.71<br /> 42 GLU HA 43 SER QB 5.50<br /> 42 GLU HG3 43 SER QB 5.26<br /> 43 SER QB 48 GLU HB2 4.43<br /> 43 SER QB 48 GLU HB3 4.43<br /> 43 SER QB 46 LYS QD 4.91<br /> 20 HIS HA 109 SER HB2 4.76<br /> 20 HIS HA 109 SER HB3 4.76<br /> 20 HIS HE1 109 SER HB2 5.50<br /> 20 HIS HE1 109 SER HB3 5.50<br /> 90 SER QB 91 THR H 3.88<br /> 90 SER QB 91 THR QG2 4.00<br /> 91 THR HA 92 GLN QG 5.50<br /> 91 THR HA 91 THR QG2 3.32<br /> 32 LEU QD2 59 PRO HA 5.11<br /> 58 LEU QQD 59 PRO HA 5.50<br /> 63 ILE HA 64 ILE H 3.14<br /> 63 ILE HA 63 ILE QG2 3.08<br /> 64 ILE HA 73 LEU QQD 3.11<br /> 64 ILE HA 64 ILE QG2 3.39<br /> 89 LEU HB3 90 SER HA 5.50<br /> 90 SER HA 90 SER QB 3.01<br /> 85 ILE HA 103 LEU QD2 4.09<br /> 85 ILE HA 88 LEU HB2 4.17<br /> 85 ILE HA 85 ILE QG1 3.47<br /> 85 ILE HA 85 ILE QD1 2.96<br /> 94 PRO HA 95 LEU HG 5.50<br /> 94 PRO HA 101 VAL HB 5.50<br /> 94 PRO HA 102 VAL HA 4.01<br /> 93 GLN QB 94 PRO HA 5.50<br /> 39 LEU QD1 40 VAL HA 5.50<br /> 40 VAL HA 64 ILE QD1 5.50<br /> 40 VAL HA 50 VAL H 4.64<br /> 40 VAL HA 51 LEU HA 3.56<br /> 40 VAL HA 40 VAL QG2 3.57<br /> 40 VAL HA 40 VAL QG1 3.57<br /> 39 LEU QD2 40 VAL HA 4.03<br /> 40 VAL HA 51 LEU QQD 4.65<br /> 107 VAL HA 107 VAL QG1 3.57<br /> 107 VAL HA 107 VAL QG2 3.57<br /> 107 VAL HA 108 PRO HD2 3.15<br /> 107 VAL HA 108 PRO HD3 3.15<br /> 35 SER HA 54 LEU HB3 4.19<br /> 35 SER HA 54 LEU HG 3.92<br /> 87 HIS HA 90 SER H 5.50<br /> 87 HIS HA 90 SER QB 4.35<br /> 87 HIS HA 91 THR QG2 3.98<br /> 102 VAL HA 103 LEU QD1 5.50<br /> 95 LEU HG 102 VAL HA 4.78<br /> 102 VAL HA 103 LEU HB2 5.25<br /> 102 VAL HA 102 VAL QG1 3.26<br /> 95 LEU QD1 102 VAL HA 3.89<br /> 25 ARG HA 28 VAL HB 4.75<br /> 25 ARG HA 25 ARG HG2 3.93<br /> 25 ARG HA 25 ARG HG3 3.93<br /> 97 LYS HA 97 LYS QG 4.04<br /> 97 LYS HA 97 LYS HD2 4.01<br /> 97 LYS HA 97 LYS HD3 4.01<br /> 52 SER HA 61 HIS HE1 5.13<br /> 52 SER HA 61 HIS HA 3.47<br /> 32 LEU QD2 52 SER HA 5.50<br /> 51 LEU QQD 52 SER HA 5.50<br /> 38 PHE HA 53 VAL HA 3.43<br /> 38 PHE HB2 53 VAL HA 4.53<br /> 38 PHE HB3 53 VAL HA 4.78<br /> 53 VAL HA 53 VAL QG2 3.71<br /> 53 VAL HA 53 VAL QG1 3.71<br /> 32 LEU QD2 53 VAL HA 3.75<br /> 13 LEU HA 16 GLN HB2 4.90<br /> 13 LEU HA 81 ILE QG2 5.50<br /> 95 LEU HA 95 LEU HG 3.53<br /> 95 LEU HA 95 LEU QD2 3.22<br /> 83 LEU HA 83 LEU HG 4.01<br /> 88 LEU HA 91 THR QG2 5.50<br /> 13 LEU HA 81 ILE HB 5.40<br /> 13 LEU HA 82 PRO HG2 5.50<br /> 13 LEU HA 16 GLN HG3 3.66<br /> 13 LEU HA 13 LEU HG 3.17<br /> 13 LEU HA 13 LEU QD2 4.95<br /> 98 LYS HA 98 LYS QD 3.30<br /> 83 LEU HA 83 LEU QD1 2.88<br /> 88 LEU HA 89 LEU HA 4.98<br /> 88 LEU HA 88 LEU QD2 4.73<br /> 88 LEU HA 88 LEU HG 3.20<br /> 88 LEU HA 88 LEU QD1 4.73<br /> 74 GLU QG 96 THR HA 5.50<br /> 8 GLU HA 11 LYS HG2 4.15<br /> 8 GLU HA 11 LYS QD 4.42<br /> 83 LEU HA 83 LEU QD2 3.62<br /> 78 PHE HB2 84 LEU HA 4.27<br /> 84 LEU HA 87 HIS HB3 4.50<br /> 84 LEU HA 87 HIS HB2 4.96<br /> 84 LEU HA 84 LEU QD2 3.90<br /> 84 LEU HA 84 LEU QD1 3.90<br /> 42 GLU HA 49 TYR HA 3.58<br /> 49 TYR HA 64 ILE QD1 5.44<br /> 86 ASP HA 89 LEU QD1 5.50<br /> 8 GLU HA 8 GLU QG 3.55<br /> 7 GLY QA 8 GLU HA 4.03<br /> 13 LEU QD2 14 HIS HA 5.50<br /> 89 LEU HA 89 LEU HG 3.90<br /> 89 LEU HA 89 LEU QD2 4.00<br /> 18 TRP HE3 19 TYR HA 4.01<br /> 86 ASP HA 89 LEU HB2 4.09<br /> 86 ASP HA 89 LEU HB3 4.02<br /> 86 ASP HA 89 LEU HG 4.56<br /> 27 GLU HA 27 GLU QG 2.98<br /> 8 GLU HA 11 LYS H 5.50<br /> 44 GLN HA 44 GLN QG 2.89<br /> 8 GLU HA 11 LYS HG3 4.15<br /> 22 ALA QB 44 GLN HA 4.61<br /> 89 LEU HA 103 LEU QD2 5.34<br /> 19 TYR HA 40 VAL HB 3.94<br /> 66 SER HA 71 TYR HA 3.90<br /> 64 ILE QG2 71 TYR HA 3.91<br /> 30 GLU HA 30 GLU QB 2.85<br /> 91 THR H 92 GLN HA 5.50<br /> 92 GLN HA 92 GLN QG 2.93<br /> 89 LEU QD2 104 HIS HA 5.50<br /> 42 GLU HG2 47 GLN HA 3.99<br /> 38 PHE HA 39 LEU HB3 5.50<br /> 38 PHE HA 53 VAL HB 5.50<br /> 38 PHE HA 53 VAL QG2 5.08<br /> 38 PHE HA 53 VAL QG1 5.08<br /> 32 LEU QD2 38 PHE HA 3.67<br /> 38 PHE HA 103 LEU HG 5.50<br /> 15 GLU HA 15 GLU HG3 3.79<br /> 10 GLN HA 10 GLN QG 3.22<br /> 31 LEU HA 31 LEU HG 3.76<br /> 31 LEU HA 107 VAL QG1 5.43<br /> 31 LEU HA 107 VAL QG2 5.43<br /> 31 LEU HA 31 LEU QD2 3.01<br /> 11 LYS HA 12 PRO HD2 3.25<br /> 11 LYS HA 11 LYS QD 3.66<br /> 29 ALA HA 59 PRO HB3 4.33<br /> 29 ALA HA 32 LEU QD2 4.94<br /> 69 ASN HA 69 ASN QB 3.02<br /> 103 LEU HA 103 LEU QD1 5.11<br /> 103 LEU HA 103 LEU HG 3.27<br /> 29 ALA HA 59 PRO HG3 5.08<br /> 54 LEU HA 59 PRO HA 3.76<br /> 16 GLN HA 16 GLN HG3 3.87<br /> 32 LEU HG 37 ASP HA 5.50<br /> 32 LEU QD2 37 ASP HA 5.50<br /> 37 ASP HA 105 ARG HB3 3.93<br /> 37 ASP HA 105 ARG HB2 5.50<br /> 32 LEU HA 37 ASP HB2 5.50<br /> 32 LEU HA 32 LEU QD1 3.98<br /> 32 LEU HA 32 LEU HG 3.33<br /> 51 LEU HA 51 LEU QQD 3.63<br /> 18 TRP HA 108 PRO HA 5.03<br /> 58 LEU HA 58 LEU QQD 3.63<br /> 78 PHE HA 79 PRO HD3 3.69<br /> 78 PHE HB3 79 PRO HD3 3.95<br /> 79 PRO HD3 83 LEU HG 4.72<br /> 78 PHE HA 79 PRO HD2 3.52<br /> 107 VAL QG2 108 PRO HD2 5.14<br /> 70 LEU HG 79 PRO HD3 4.23<br /> 23 ILE QG2 24 PRO HD3 4.03<br /> 107 VAL QG1 108 PRO HD3 5.14<br /> 107 VAL QG2 108 PRO HD3 5.14<br /> 23 ILE HA 24 PRO HD2 3.39<br /> 23 ILE HB 24 PRO HD2 3.27<br /> 23 ILE QG2 24 PRO HD2 3.58<br /> 38 PHE HD2 106 ALA HA 5.50<br /> 106 ALA HA 107 VAL HB 5.50<br /> 106 ALA HA 107 VAL QG1 5.50<br /> 11 LYS QB 12 PRO HD2 3.58<br /> 11 LYS QD 12 PRO HD2 4.00<br /> 11 LYS HA 12 PRO HD3 3.25<br /> 11 LYS QB 12 PRO HD3 3.58<br /> 11 LYS QD 12 PRO HD3 4.00<br /> 93 GLN HA 94 PRO HD2 2.99<br /> 93 GLN QB 94 PRO HD2 4.10<br /> 93 GLN QB 94 PRO HD3 4.10<br /> 93 GLN HA 94 PRO HD3 2.99<br /> 110 GLY HA2 111 PRO QD 3.11<br /> 110 GLY HA3 111 PRO QD 3.11<br /> 80 SER HB2 82 PRO HD2 3.86<br /> 81 ILE HB 82 PRO HD2 3.93<br /> 81 ILE HB 82 PRO HD3 3.41<br /> 9 VAL HA 82 PRO HB3 5.50<br /> 38 PHE HB3 103 LEU HG 3.67<br /> 58 LEU QB 58 LEU QQD 2.97<br /> 70 LEU HB2 70 LEU QD2 3.41<br /> 70 LEU HB2 70 LEU QD1 3.27<br /> 70 LEU HB3 70 LEU QD1 3.77<br /> 70 LEU HB3 70 LEU QD2 3.58<br /> 39 LEU HB3 40 VAL H 5.13<br /> 20 HIS HD2 39 LEU HB3 4.43<br /> 39 LEU HB3 39 LEU QD2 4.23<br /> 39 LEU HB2 39 LEU QD2 4.23<br /> 72 ARG HB3 77 GLY HA3 3.89<br /> 51 LEU HB2 64 ILE QD1 3.72<br /> 67 LEU HB3 67 LEU QD2 4.07<br /> 31 LEU HB2 39 LEU HG 3.96<br /> 67 LEU HB2 67 LEU QD1 4.07<br /> 67 LEU HB2 67 LEU QD2 4.07<br /> 31 LEU HB3 31 LEU QD2 3.27<br /> 31 LEU HB2 31 LEU QD2 3.80<br /> 31 LEU HB2 31 LEU QD1 3.50<br /> 31 LEU H 31 LEU HB2 4.08<br /> 78 PHE HB3 79 PRO HD2 3.63<br /> 78 PHE HB3 83 LEU HG 4.33<br /> 78 PHE HB3 83 LEU HB2 4.25<br /> 78 PHE HB2 79 PRO HD2 3.98<br /> 78 PHE HB2 84 LEU HB3 4.92<br /> 78 PHE HB2 83 LEU HB2 4.78<br /> 78 PHE HB2 83 LEU HB3 5.21<br /> 78 PHE HB2 84 LEU HB2 4.15<br /> 25 ARG QB 25 ARG QD 3.22<br /> 89 LEU H 89 LEU HB3 3.54<br /> 89 LEU HB3 89 LEU QD1 3.78<br /> 89 LEU HB3 89 LEU QD2 3.78<br /> 89 LEU HB3 103 LEU QD2 5.50<br /> 86 ASP H 86 ASP HB3 3.60<br /> 32 LEU HB2 32 LEU QD2 3.41<br /> 32 LEU HB3 32 LEU QD2 3.65<br /> 32 LEU HA 37 ASP HB3 4.26<br /> 32 LEU HB3 37 ASP HB3 5.50<br /> 32 LEU HG 37 ASP HB3 3.61<br /> 17 LEU H 17 LEU HB3 3.88<br /> 17 LEU HB3 18 TRP H 4.69<br /> 78 PHE HB3 83 LEU HB3 5.50<br /> 83 LEU H 83 LEU HB3 4.06<br /> 17 LEU HB2 108 PRO HA 5.50<br /> 79 PRO HD2 83 LEU HB3 3.92<br /> 79 PRO QG 83 LEU HB3 3.81<br /> 60 ARG HA 60 ARG HD2 4.23<br /> 60 ARG HA 60 ARG HD3 4.23<br /> 97 LYS QG 97 LYS QE 3.27<br /> 98 LYS QG 98 LYS QE 3.52<br /> 46 LYS HG2 46 LYS QE 4.13<br /> 46 LYS HG3 46 LYS QE 4.13<br /> 32 LEU HG 54 LEU HB3 5.14<br /> 81 ILE HA 84 LEU HB2 5.50<br /> 13 LEU HB3 13 LEU QD2 3.64<br /> 13 LEU HB3 13 LEU QD1 3.76<br /> 13 LEU HB2 13 LEU QD2 4.06<br /> 95 LEU H 95 LEU HB3 4.06<br /> 95 LEU HB3 96 THR QG2 4.01<br /> 95 LEU HB3 95 LEU QD2 3.90<br /> 95 LEU HB2 95 LEU QD1 3.77<br /> 13 LEU HB2 13 LEU QD1 3.50<br /> 88 LEU HB2 89 LEU H 4.20<br /> 88 LEU HB2 103 LEU HB3 5.03<br /> 88 LEU HB3 103 LEU QD2 3.84<br /> 89 LEU HA 103 LEU HB2 4.00<br /> 103 LEU HB2 103 LEU QD1 3.37<br /> 89 LEU HA 103 LEU HB3 4.79<br /> 89 LEU HG 103 LEU HB3 4.30<br /> 103 LEU HB3 103 LEU QD2 3.65<br /> 88 LEU HB2 88 LEU QD2 3.40<br /> 49 TYR HB3 64 ILE HB 4.85<br /> 13 LEU QD2 49 TYR HB3 5.50<br /> 49 TYR HB3 64 ILE QD1 3.78<br /> 49 TYR H 49 TYR HB2 3.91<br /> 71 TYR HB3 73 LEU HG 5.50<br /> 71 TYR HB3 84 LEU HG 5.50<br /> 64 ILE QG2 71 TYR HB2 3.78<br /> 62 PHE HA 63 ILE HB 5.50<br /> 64 ILE HB 64 ILE QD1 3.23<br /> 49 TYR HB2 64 ILE HB 3.91<br /> 24 PRO HD2 27 GLU QG 5.50<br /> 23 ILE QD1 27 GLU QG 4.97<br /> 74 GLU HA 74 GLU QG 3.88<br /> 42 GLU HA 42 GLU HG3 4.03<br /> 48 GLU HG2 63 ILE QG2 3.84<br /> 43 SER QB 48 GLU HG3 5.50<br /> 15 GLU HA 15 GLU HG2 3.79<br /> 53 VAL HB 62 PHE QE 5.50<br /> ...<br /> 39 LEU HA 40 VAL H 3.12<br /> 18 TRP HB2 40 VAL H 4.81<br /> 40 VAL H 40 VAL HB 3.38<br /> 39 LEU HB2 40 VAL H 3.00<br /> 40 VAL H 40 VAL QG2 4.10<br /> 40 VAL H 40 VAL QG1 4.10<br /> 39 LEU QD2 40 VAL H 3.84<br /> 39 LEU HG 40 VAL H 4.65<br /> 24 PRO HB2 26 ALA H 5.50<br /> 24 PRO HB3 26 ALA H 5.50<br /> 25 ARG QB 26 ALA H 3.83<br /> 26 ALA H 26 ALA QB 3.37<br /> 44 GLN HA 46 LYS H 5.50<br /> 46 LYS H 47 GLN HA 5.50<br /> 46 LYS H 46 LYS HB2 4.06<br /> 46 LYS H 46 LYS HB3 4.06<br /> 46 LYS H 46 LYS HG2 5.50<br /> 46 LYS H 46 LYS HG3 5.50<br /> 43 SER QB 46 LYS H 4.82<br /> 16 GLN H 16 GLN HE21 4.73<br /> 14 HIS HA 16 GLN H 4.39<br /> 13 LEU HA 16 GLN H 4.18<br /> 16 GLN H 19 TYR HB2 4.72<br /> 16 GLN H 19 TYR HB3 4.72<br /> 16 GLN H 16 GLN HG2 3.16<br /> 15 GLU HB2 16 GLN H 4.41<br /> 12 PRO HG2 16 GLN H 5.50<br /> 15 GLU HG2 16 GLN H 5.50<br /> 15 GLU HG3 16 GLN H 5.50<br /> 15 GLU HB3 16 GLN H 4.41<br /> 16 GLN H 16 GLN HG3 4.22<br /> 16 GLN H 16 GLN HB2 3.20<br /> 13 LEU HG 16 GLN H 5.21<br /> 16 GLN H 16 GLN HB3 3.67<br /> 22 ALA H 23 ILE H 4.13<br /> 23 ILE H 42 GLU H 4.26<br /> 22 ALA HA 23 ILE H 3.08<br /> 23 ILE H 41 ARG HB2 3.85<br /> 23 ILE H 23 ILE HB 3.91<br /> 23 ILE H 23 ILE HG12 4.08<br /> 22 ALA QB 23 ILE H 3.76<br /> 23 ILE H 23 ILE QG2 2.97<br /> 23 ILE H 23 ILE QD1 3.80<br /> 23 ILE H 24 PRO HD2 5.07<br /> 20 HIS HB3 23 ILE H 5.50<br /> 23 ILE H 41 ARG HD2 5.50<br /> 20 HIS HB2 23 ILE H 5.45<br /> 23 ILE H 41 ARG HD3 5.50<br /> 38 PHE H 104 HIS H 5.50<br /> 99 SER HA 101 VAL H 5.27<br /> 95 LEU QD1 101 VAL H 5.05<br /> 95 LEU H 101 VAL H 4.49<br /> 100 GLY H 101 VAL H 3.57<br /> 99 SER HG 101 VAL H 5.50<br /> 60 ARG HG3 101 VAL H 5.50<br /> 101 VAL H 101 VAL HB 2.98<br /> 95 LEU HB2 101 VAL H 4.87<br /> 38 PHE H 38 PHE HD1 3.77<br /> 38 PHE H 38 PHE HE1 5.09<br /> 37 ASP HA 38 PHE H 2.84<br /> 38 PHE H 38 PHE HB2 4.18<br /> 37 ASP HB2 38 PHE H 4.34<br /> 38 PHE H 106 ALA HA 3.60<br /> 37 ASP HB3 38 PHE H 3.64<br /> 38 PHE H 53 VAL HB 5.50<br /> 38 PHE H 107 VAL HB 5.50<br /> 38 PHE H 39 LEU QD1 5.50<br /> 38 PHE H 106 ALA QB 5.14<br /> 32 LEU HG 38 PHE H 5.28<br /> 32 LEU QD2 38 PHE H 5.50<br /> 38 PHE H 103 LEU HG 5.50<br /> 38 PHE H 105 ARG HB3 5.04<br /> 38 PHE H 53 VAL QG1 5.50<br /> 8 GLU H 9 VAL H 4.09<br /> 8 GLU HA 9 VAL H 3.53<br /> 7 GLY QA 9 VAL H 3.57<br /> 8 GLU QG 9 VAL H 4.61<br /> 9 VAL H 10 GLN QG 4.79<br /> 9 VAL H 9 VAL HB 3.08<br /> 9 VAL H 11 LYS QB 5.50<br /> 9 VAL H 9 VAL QG2 3.99<br /> 70 LEU H 71 TYR H 4.65<br /> 69 ASN H 70 LEU H 3.12<br /> 67 LEU H 70 LEU H 3.44<br /> 66 SER HA 70 LEU H 4.65<br /> 69 ASN HA 70 LEU H 3.46<br /> 69 ASN QB 70 LEU H 4.16<br /> 68 ASP HB2 70 LEU H 4.58<br /> 68 ASP HB3 70 LEU H 4.58<br /> 70 LEU H 70 LEU HB2 3.13<br /> 70 LEU H 70 LEU QD1 3.38<br /> 70 LEU H 70 LEU HB3 3.89<br /> 70 LEU H 70 LEU QD2 4.84<br /> 70 LEU H 70 LEU HG 4.60<br /> 78 PHE H 79 PRO HD2 4.84<br /> 71 TYR HB2 78 PHE H 4.28<br /> 78 PHE H 84 LEU HB3 5.50<br /> 78 PHE H 84 LEU HB2 4.23<br /> 70 LEU HB3 78 PHE H 3.76<br /> 70 LEU QD2 78 PHE H 4.44<br /> 70 LEU HG 78 PHE H 4.51<br /> 78 PHE H 78 PHE QD 3.43<br /> 71 TYR QD 78 PHE H 4.99<br /> 77 GLY HA2 78 PHE H 3.08<br /> 70 LEU HA 78 PHE H 4.53<br /> 77 GLY HA3 78 PHE H 3.08<br /> 78 PHE H 78 PHE HB2 3.46<br /> 72 ARG HB3 78 PHE H 4.27<br /> 65 GLN HA 72 ARG H 5.50<br /> 65 GLN HB2 72 ARG H 3.79<br /> 71 TYR QD 72 ARG H 4.42<br /> 71 TYR HA 72 ARG H 2.80<br /> 71 TYR HB3 72 ARG H 3.87<br /> 71 TYR HB2 72 ARG H 4.50<br /> 72 ARG H 72 ARG HB2 4.14<br /> 72 ARG H 72 ARG QG 3.31<br /> 64 ILE QG2 72 ARG H 3.74<br /> 85 ILE H 86 ASP HB3 5.50<br /> 81 ILE HA 85 ILE H 4.88<br /> 85 ILE H 86 ASP HB2 5.50<br /> 84 LEU HB3 85 ILE H 3.36<br /> 85 ILE H 85 ILE HB 2.96<br /> 84 LEU HB2 85 ILE H 4.95<br /> 84 LEU HG 85 ILE H 3.86<br /> 85 ILE H 85 ILE QD1 3.17<br /> 82 PRO HA 85 ILE H 5.01<br /> 83 LEU HA 85 ILE H 5.44<br /> 64 ILE HA 72 ARG H 5.50<br /> 72 ARG H 72 ARG HB3 3.89<br /> 72 ARG H 73 LEU QQD 5.20<br /> 72 ARG H 73 LEU HG 5.06<br /> 73 LEU HB2 74 GLU H 3.39<br /> 29 ALA H 30 GLU QB 5.50<br /> 26 ALA HA 29 ALA H 4.79<br /> 27 GLU HA 29 ALA H 5.25<br /> 25 ARG HA 29 ALA H 5.50<br /> 28 VAL HB 29 ALA H 3.09<br /> 29 ALA H 29 ALA QB 2.82<br /> 23 ILE QD1 29 ALA H 5.50<br /> 29 ALA H 31 LEU QD1 5.50<br /> 29 ALA H 32 LEU QD2 5.50<br /> 83 LEU HA 86 ASP H 4.83<br /> 86 ASP H 86 ASP HB2 3.60<br /> 85 ILE HB 86 ASP H 3.79<br /> 85 ILE QG2 86 ASP H 4.37<br /> 25 ARG HA 28 VAL H 4.04<br /> 28 VAL H 28 VAL HB 2.93<br /> 27 GLU HB3 28 VAL H 4.06<br /> 27 GLU HB2 28 VAL H 3.71<br /> 26 ALA QB 28 VAL H 5.06<br /> 28 VAL H 28 VAL QG1 4.00<br /> 23 ILE QD1 28 VAL H 3.94<br /> 31 LEU H 32 LEU HA 5.50<br /> 29 ALA HA 31 LEU H 4.74<br /> 28 VAL HA 31 LEU H 3.88<br /> 30 GLU QG 31 LEU H 4.39<br /> 30 GLU QB 31 LEU H 3.58<br /> 31 LEU H 32 LEU QD1 4.12<br /> 31 LEU H 31 LEU HG 2.78<br /> 31 LEU H 31 LEU HB3 3.79<br /> 31 LEU H 107 VAL QG1 5.50<br /> 31 LEU H 107 VAL QG2 5.50<br /> 31 LEU H 31 LEU QD2 3.47<br /> 31 LEU H 31 LEU QD1 3.75<br /> 31 LEU H 39 LEU HG 5.50<br /> 31 LEU H 32 LEU QD2 5.50<br /> 29 ALA QB 31 LEU H 4.78<br /> 10 GLN H 10 GLN QG 3.34<br /> 10 GLN H 10 GLN HB2 3.71<br /> 10 GLN H 10 GLN HB3 3.71<br /> 10 GLN H 11 LYS QB 4.93<br /> 15 GLU H 16 GLN HA 5.50<br /> 13 LEU HA 15 GLU H 4.26<br /> 15 GLU H 16 GLN HG2 3.95<br /> 14 HIS HB3 15 GLU H 4.71<br /> 12 PRO HG2 15 GLU H 3.75<br /> 15 GLU H 16 GLN HB3 5.50<br /> 15 GLU H 16 GLN HB2 5.50<br /> 14 HIS HB2 15 GLU H 4.71<br /> 92 GLN H 93 GLN H 3.12<br /> 92 GLN HA 93 GLN H 3.07<br /> 88 LEU HA 93 GLN H 3.81<br /> 93 GLN H 93 GLN QB 2.82<br /> 91 THR H 93 GLN H 4.94<br /> 91 THR QG2 93 GLN H 4.84<br /> 65 GLN HA 66 SER H 2.63<br /> 65 GLN HG2 66 SER H 5.25<br /> 65 GLN HG3 66 SER H 5.25<br /> 65 GLN HB3 66 SER H 3.38<br /> 63 ILE QG2 66 SER H 5.50<br /> 64 ILE QG2 66 SER H 5.50<br /> 83 LEU H 84 LEU H 3.27<br /> 82 PRO HD2 83 LEU H 3.97<br /> 82 PRO HD3 83 LEU H 4.27<br /> 78 PHE HB3 83 LEU H 5.50<br /> 78 PHE HB2 83 LEU H 5.50<br /> 82 PRO HB3 83 LEU H 4.59<br /> 82 PRO HB2 83 LEU H 3.93<br /> 83 LEU H 83 LEU HB2 3.09<br /> 83 LEU H 83 LEU QD2 3.01<br /> 83 LEU H 84 LEU HB2 5.50<br /> 83 LEU H 83 LEU HG 4.65<br /> 83 LEU H 83 LEU QD1 4.35<br /> 31 LEU H 32 LEU H 2.81<br /> 29 ALA HA 32 LEU H 3.86<br /> 28 VAL HA 32 LEU H 5.50<br /> 30 GLU QB 32 LEU H 5.17<br /> 32 LEU H 32 LEU HB2 2.84<br /> 32 LEU H 32 LEU QD1 3.13<br /> 31 LEU HB2 32 LEU H 3.32<br /> 29 ALA QB 32 LEU H 5.17<br /> 31 LEU HB3 32 LEU H 4.06<br /> 32 LEU H 32 LEU QD2 3.90<br /> 32 LEU H 39 LEU HG 5.39<br /> 38 PHE HE1 104 HIS H 5.23<br /> 103 LEU HA 104 HIS H 2.99<br /> 104 HIS H 104 HIS HB2 3.72<br /> 104 HIS H 104 HIS HB3 3.72<br /> 104 HIS H 105 ARG HB3 5.50<br /> 104 HIS H 105 ARG HB2 5.50<br /> 103 LEU HG 104 HIS H 4.00<br /> 38 PHE HD1 104 HIS H 4.36<br /> 103 LEU HB2 104 HIS H 4.51<br /> 103 LEU HB3 104 HIS H 3.74<br /> 55 TRP HZ3 104 HIS H 5.50<br /> 103 LEU QD1 104 HIS H 5.50<br /> 98 LYS H 99 SER H 4.38<br /> 96 THR HA 98 LYS H 5.50<br /> 98 LYS H 98 LYS QB 3.03<br /> 98 LYS H 98 LYS QD 4.40<br /> 36 GLY H 37 ASP H 3.36<br /> 36 GLY H 55 TRP HZ3 4.34<br /> 35 SER HA 36 GLY H 2.77<br /> 36 GLY H 37 ASP HB2 5.50<br /> 36 GLY H 55 TRP HB2 5.50<br /> 36 GLY H 54 LEU HB3 4.02<br /> 36 GLY H 54 LEU HG 4.22<br /> 36 GLY H 53 VAL QG2 5.50<br /> 36 GLY H 53 VAL QG1 5.50<br /> 96 THR HB 98 LYS H 4.19<br /> 24 PRO HA 27 GLU H 5.50<br /> 23 ILE QD1 27 GLU H 4.96<br /> 26 ALA H 27 GLU H 3.88<br /> 27 GLU H 27 GLU HB2 2.97<br /> 26 ALA QB 27 GLU H 3.51<br /> 25 ARG HA 27 GLU H 4.01<br /> 27 GLU H 27 GLU QG 3.39<br /> 25 ARG QB 27 GLU H 5.46<br /> 20 HIS HE1 109 SER H 5.29<br /> 18 TRP HA 109 SER H 4.22<br /> 108 PRO HA 109 SER H 2.74<br /> 17 LEU HA 109 SER H 4.18<br /> 109 SER H 109 SER HB2 3.61<br /> 109 SER H 109 SER HB3 3.61<br /> 108 PRO HB2 109 SER H 4.11<br /> 108 PRO HB3 109 SER H 4.11<br /> 17 LEU HB3 109 SER H 5.50<br /> 17 LEU QD1 109 SER H 5.50<br /> 17 LEU QD2 109 SER H 5.50<br /> 17 LEU HB2 109 SER H 5.50<br /> 90 SER H 92 GLN H 4.41<br /> 92 GLN H 92 GLN HA 2.71<br /> 88 LEU HA 92 GLN H 4.17<br /> 92 GLN H 92 GLN QG 2.90<br /> 92 GLN H 93 GLN QB 4.90<br /> 91 THR QG2 92 GLN H 4.06<br /> 92 GLN H 102 VAL QG1 4.50<br /> 88 LEU HG 92 GLN H 5.50<br /> 92 GLN H 93 GLN HA 5.50<br /> 9 VAL HA 16 GLN HE22 3.96<br /> 16 GLN HE22 82 PRO HB3 4.21<br /> 16 GLN HG2 16 GLN HE22 3.65<br /> 16 GLN HE22 82 PRO HB2 4.06<br /> 11 LYS QB 16 GLN HE22 3.20<br /> 13 LEU HA 16 GLN HE22 5.18<br /> 16 GLN HE21 82 PRO HB3 5.12<br /> 16 GLN HG2 16 GLN HE21 3.45<br /> 11 LYS QB 16 GLN HE21 3.27<br /> 16 GLN HB2 16 GLN HE21 5.50<br /> 9 VAL HA 16 GLN HE21 5.38<br /> 16 GLN HA 16 GLN HE21 4.45<br /> 16 GLN HE21 82 PRO HB2 4.23<br /> 16 GLN HE21 82 PRO HG2 4.33<br /> 10 GLN HA 16 GLN HE22 5.50<br /> 16 GLN HA 16 GLN HE22 5.50<br /> 16 GLN HE22 82 PRO HG2 4.47<br /> 13 LEU HA 16 GLN HE21 4.62<br /> 86 ASP HA 90 SER H 4.73<br /> 90 SER H 90 SER QB 2.99<br /> 90 SER H 91 THR QG2 4.11<br /> 89 LEU HB2 90 SER H 3.62<br /> 89 LEU HB3 90 SER H 3.96<br /> 89 LEU QD1 90 SER H 5.46<br /> 89 LEU QD2 90 SER H 5.46<br /> 89 LEU HA 92 GLN HE22 3.72<br /> 92 GLN HA 92 GLN HE22 4.19<br /> 92 GLN QG 92 GLN HE22 3.55<br /> 89 LEU HB3 92 GLN HE22 5.50<br /> 89 LEU HG 92 GLN HE22 5.50<br /> 92 GLN HE22 102 VAL QG1 4.17<br /> 89 LEU HA 92 GLN HE21 3.72<br /> 92 GLN HA 92 GLN HE21 4.19<br /> 92 GLN QG 92 GLN HE21 3.55<br /> 89 LEU HB3 92 GLN HE21 5.50<br /> 89 LEU HG 92 GLN HE21 5.50<br /> 92 GLN HE21 102 VAL QG1 4.17<br /> 69 ASN HA 69 ASN HD22 5.50<br /> 69 ASN QB 69 ASN HD22 3.78<br /> 69 ASN QB 69 ASN HD21 3.78<br /> 38 PHE HD2 39 LEU H 4.11<br /> 38 PHE HA 39 LEU H 3.08<br /> 39 LEU H 53 VAL HA 4.18<br /> 38 PHE HB2 39 LEU H 3.32<br /> 38 PHE HB3 39 LEU H 4.18<br /> 39 LEU H 39 LEU HB3 3.60<br /> 39 LEU H 39 LEU QD1 3.25<br /> 39 LEU H 51 LEU QQD 3.30<br /> 39 LEU H 39 LEU HG 4.46<br /> 39 LEU H 51 LEU HA 5.50<br /> 30 GLU H 31 LEU QD1 5.40<br /> 28 VAL HA 30 GLU H 4.44<br /> 30 GLU H 30 GLU QG 3.25<br /> 30 GLU H 30 GLU QB 2.85<br /> 30 GLU H 31 LEU HG 3.96<br /> 29 ALA QB 30 GLU H 3.34<br /> 30 GLU H 31 LEU QD2 5.50<br /> 99 SER H 99 SER QB 3.89<br /> 98 LYS QB 99 SER H 4.12<br /> 44 GLN QB 44 GLN HE21 4.30<br /> 63 ILE HB 65 GLN HE22 5.50<br /> 63 ILE QG2 65 GLN HE22 4.32<br /> 7 GLY QA 10 GLN HE22 5.50<br /> 44 GLN QB 44 GLN HE22 4.30<br /> 63 ILE HB 65 GLN HE21 5.50<br /> 63 ILE QG2 65 GLN HE21 4.32<br /> 93 GLN QB 93 GLN HE21 4.96<br /> 93 GLN QB 93 GLN HE22 4.96<br /> 108 PRO HA 110 GLY H 5.20<br /> 109 SER HB2 110 GLY H 4.39<br /> 109 SER HB3 110 GLY H 4.39<br /> 80 SER H 81 ILE H 4.66<br /> 71 TYR H 80 SER H 5.27<br /> 71 TYR QD 80 SER H 3.84<br /> 80 SER H 80 SER HB2 3.96<br /> 79 PRO HD2 80 SER H 3.48<br /> 80 SER H 80 SER HB3 3.96<br /> 78 PHE HB3 80 SER H 3.54<br /> 78 PHE HB2 80 SER H 3.57<br /> 79 PRO QG 80 SER H 3.56<br /> 80 SER H 83 LEU HB2 3.46<br /> 80 SER H 83 LEU HB3 3.62<br /> 80 SER H 83 LEU HG 3.90<br /> 70 LEU QD2 80 SER H 5.50<br /> 71 TYR HB2 80 SER H 5.13<br /> 70 LEU HG 80 SER H 5.50<br /> 69 ASN H 70 LEU HA 5.50<br /> 68 ASP H 69 ASN H 3.72<br /> 67 LEU HA 69 ASN H 4.62<br /> 69 ASN H 69 ASN HA 2.80<br /> 69 ASN H 69 ASN QB 3.55<br /> 68 ASP HB2 69 ASN H 4.47<br /> 68 ASP HB3 69 ASN H 4.47<br /> 69 ASN H 70 LEU QD1 4.53<br /> 90 SER H 91 THR H 3.21<br /> 91 THR H 92 GLN H 3.09<br /> 88 LEU HA 91 THR H 4.11<br /> 91 THR H 92 GLN QG 4.61<br /> 91 THR H 93 GLN QB 5.50<br /> 89 LEU HB2 91 THR H 5.50<br /> 91 THR H 91 THR QG2 2.96<br /> 13 LEU H 14 HIS H 4.06<br /> 14 HIS H 15 GLU H 3.52<br /> 12 PRO HA 14 HIS H 4.34<br /> 14 HIS H 14 HIS HB2 3.74<br /> 14 HIS H 14 HIS HB3 3.74<br /> 12 PRO HG2 14 HIS H 5.50<br /> 12 PRO HG3 14 HIS H 4.75<br /> 13 LEU QD2 14 HIS H 4.02<br /> 14 HIS H 19 TYR QD 5.50<br /> 14 HIS H 14 HIS HD2 4.66<br /> 12 PRO HB2 14 HIS H 4.15<br /> 12 PRO HB3 14 HIS H 4.15<br /> 13 LEU HB3 14 HIS H 3.26<br /> 13 LEU HB2 14 HIS H 4.49<br /> 13 LEU QD1 14 HIS H 5.28<br /> 17 LEU H 18 TRP H 3.54<br /> 18 TRP H 19 TYR H 3.13<br /> 18 TRP H 18 TRP HB2 3.93<br /> 16 GLN HA 18 TRP H 4.47<br /> 18 TRP H 19 TYR HB2 5.50<br /> 18 TRP H 18 TRP HB3 3.59<br /> 16 GLN HG3 18 TRP H 4.91<br /> 17 LEU HB2 18 TRP H 5.19<br /> 18 TRP H 106 ALA QB 4.49<br /> 16 GLN HB2 18 TRP H 3.59<br /> 16 GLN HB3 18 TRP H 3.56<br /> 18 TRP H 18 TRP HE1 4.60<br /> 18 TRP H 19 TYR HB3 5.50<br /> 77 GLY H 78 PHE H 4.76<br /> 76 GLU HG2 77 GLY H 4.43<br /> 76 GLU HG3 77 GLY H 4.43<br /> 72 ARG HB3 77 GLY H 4.28<br /> 72 ARG QG 77 GLY H 5.50<br /> 70 LEU HB3 77 GLY H 5.30<br /> 70 LEU QD2 77 GLY H 4.22<br /> 56 ASP HB2 57 GLY H 5.50<br /> 56 ASP HB3 57 GLY H 5.50<br /> 57 GLY H 58 LEU H 3.59<br /> 56 ASP HA 57 GLY H 3.34<br /> 54 LEU HG 57 GLY H 4.13<br /> 18 TRP HE1 82 PRO HB3 5.50<br /> 103 LEU QD2 104 HIS H 5.50<br /> 102 VAL QG2 104 HIS H 5.50<br /> 102 VAL QG1 104 HIS H 5.50<br /> 43 SER H 49 TYR H 5.50<br /> 49 TYR H 64 ILE H 5.50<br /> 13 LEU H 15 GLU H 5.50<br /> 13 LEU HG 15 GLU H 5.50<br /> 13 LEU QD2 15 GLU H 5.50<br /> 41 ARG H 49 TYR HB3 4.75<br /> 36 GLY H 55 TRP H 5.50<br /> 96 THR H 97 LYS HA 5.50<br /> 96 THR H 99 SER QB 5.50<br /> 96 THR H 96 THR QG2 4.09<br /> 95 LEU HB3 96 THR H 3.96<br /> 96 THR H 101 VAL QG1 5.50<br /> 96 THR H 101 VAL QG2 5.50<br /> 95 LEU QD1 96 THR H 5.50<br /> 95 LEU QD2 96 THR H 5.50<br /> 94 PRO HG3 96 THR H 5.50<br /> 94 PRO HG2 96 THR H 5.50<br /> 95 LEU HB2 96 THR H 3.66<br /> 96 THR H 99 SER H 5.50<br /> 96 THR H 100 GLY H 5.50<br /> 76 GLU HA 77 GLY H 2.90<br /> 69 ASN HA 69 ASN HD21 5.50<br /> 7 GLY QA 10 GLN HE21 5.50<br /> 105 ARG HB3 105 ARG HE 5.50<br /> 41 ARG HE 52 SER HB2 5.50<br /> 25 ARG HA 41 ARG HE 5.50<br /> 41 ARG HE 52 SER HB3 5.50<br /> 41 ARG HE 50 VAL HB 5.50<br /> 39 LEU QD2 41 ARG HE 5.50<br /> 41 ARG HE 52 SER HA 5.50<br /> 41 ARG HE 61 HIS HE1 4.38<br /> 41 ARG H 41 ARG HE 5.50<br /> 93 GLN QB 95 LEU H 5.50<br /> 11 LYS H 16 GLN HE21 4.94<br /> 67 LEU H 67 LEU HB2 3.96<br /> 78 PHE H 80 SER H 5.50<br /> 87 HIS HE1 91 THR QG2 3.11<br /> 12 PRO HB2 14 HIS HE1 3.97<br /> 12 PRO HB3 14 HIS HE1 3.97<br /> 20 HIS HE1 109 SER HA 3.00<br /> 19 TYR QD 20 HIS H 4.10<br /> 18 TRP HE3 19 TYR QD 4.41<br /> 19 TYR HA 19 TYR QD 2.55<br /> 19 TYR QD 21 GLY H 3.70<br /> 13 LEU QD1 19 TYR QD 3.75<br /> 14 HIS HA 19 TYR QD 2.52<br /> 13 LEU QD2 19 TYR QD 3.57<br /> 71 TYR H 71 TYR QD 3.02<br /> 71 TYR QD 80 SER HA 3.00<br /> 66 SER HB2 71 TYR QD 3.85<br /> 71 TYR QD 81 ILE HA 4.07<br /> 66 SER HB3 71 TYR QD 3.85<br /> 64 ILE QG2 71 TYR QD 2.55<br /> 71 TYR QD 81 ILE QD1 3.18<br /> 71 TYR HA 71 TYR QD 2.94<br /> 66 SER HA 71 TYR QD 3.80<br /> 49 TYR QD 64 ILE QD1 3.22<br /> 13 LEU QD1 49 TYR QD 3.23<br /> 19 TYR QE 49 TYR QD 3.07<br /> 49 TYR HA 49 TYR QD 2.40<br /> 42 GLU HA 49 TYR QD 2.85<br /> 49 TYR QD 81 ILE QD1 2.55<br /> 62 PHE H 62 PHE QD 2.63<br /> 62 PHE HA 62 PHE QD 2.89<br /> 62 PHE QD 96 THR QG2 3.56<br /> 62 PHE QD 95 LEU QD1 3.91<br /> 62 PHE QD 95 LEU QD2 4.27<br /> 78 PHE HA 78 PHE QD 3.12<br /> 78 PHE QD 79 PRO HD2 2.74<br /> 78 PHE QD 83 LEU HB3 2.70<br /> 78 PHE QD 84 LEU HB2 3.20<br /> 78 PHE QD 83 LEU QD1 3.49<br /> 78 PHE QE 84 LEU HA 3.51<br /> 78 PHE QE 87 HIS HB3 3.30<br /> 62 PHE QE 95 LEU HB3 3.69<br /> 62 PHE QE 96 THR QG2 3.03<br /> 62 PHE QE 101 VAL HB 3.46<br /> 62 PHE QE 95 LEU QD1 2.91<br /> 60 ARG HB2 62 PHE QE 2.55<br /> 53 VAL QG2 62 PHE QE 3.46<br /> 53 VAL QG1 62 PHE QE 3.46<br /> 18 TRP H 18 TRP HD1 3.47<br /> 18 TRP HB2 18 TRP HD1 3.89<br /> 18 TRP HB3 18 TRP HD1 2.78<br /> 18 TRP HD1 106 ALA QB 2.40<br /> 38 PHE HE1 89 LEU QD1 3.15<br /> 38 PHE HE1 89 LEU QD2 3.15<br /> 62 PHE HZ 101 VAL HB 2.67<br /> 62 PHE HZ 99 SER QB 4.41<br /> 55 TRP HB3 55 TRP HD1 2.67<br /> 43 SER H 49 TYR QD 5.05<br /> 48 GLU HA 49 TYR QD 4.85<br /> 65 GLN H 71 TYR QD 5.50<br /> 66 SER H 71 TYR QD 5.50<br /> 71 TYR QD 81 ILE H 4.22<br /> 70 LEU HA 71 TYR QD 4.12<br /> 64 ILE QD1 71 TYR QD 5.04<br /> 71 TYR QD 81 ILE QG2 5.50<br /> 38 PHE HD1 51 LEU QQD 5.03<br /> 38 PHE HD1 103 LEU HG 4.60<br /> 38 PHE HD2 103 LEU HG 4.51<br /> 38 PHE H 38 PHE HD2 5.02<br /> 62 PHE QD 63 ILE H 4.88<br /> 53 VAL H 62 PHE QD 4.98<br /> 61 HIS HA 62 PHE QD 4.62<br /> 51 LEU HB3 62 PHE QD 4.57<br /> 53 VAL HB 62 PHE QD 4.91<br /> 60 ARG HB3 62 PHE QD 4.50<br /> 51 LEU HG 62 PHE QD 4.45<br /> 60 ARG H 62 PHE QE 4.64<br /> 62 PHE H 62 PHE QE 4.75<br /> 38 PHE HZ 106 ALA QB 4.42<br /> 38 PHE HZ 89 LEU QD1 4.92<br /> 38 PHE HZ 85 ILE QG2 3.99<br /> 38 PHE HE2 85 ILE QG1 4.54<br /> 38 PHE HE2 106 ALA QB 4.71<br /> 38 PHE HE2 89 LEU QD1 5.50<br /> 38 PHE HE2 85 ILE QG2 3.92<br /> 18 TRP HA 18 TRP HD1 4.69<br /> 17 LEU HB2 18 TRP HD1 5.50<br /> 17 LEU HG 18 TRP HD1 4.29<br /> 17 LEU QD2 18 TRP HD1 4.83<br /> 16 GLN HB3 18 TRP HD1 5.50<br /> 18 TRP HD1 85 ILE QG2 5.08<br /> 38 PHE HE1 106 ALA HA 4.54<br /> 38 PHE HE1 89 LEU HG 4.80<br /> 38 PHE HE1 89 LEU HB2 5.50<br /> 38 PHE HE1 103 LEU QD2 4.60<br /> 55 TRP H 55 TRP HD1 5.50<br /> 55 TRP HD1 60 ARG HG3 5.50<br /> 76 GLU QB 78 PHE QD 3.89<br /> 78 PHE QD 84 LEU HA 3.57<br /> 78 PHE QD 79 PRO QG 4.26<br /> 78 PHE QD 84 LEU HB3 4.82<br /> 78 PHE QD 84 LEU QD2 4.50<br /> 78 PHE QD 83 LEU HB2 4.26<br /> 78 PHE QD 84 LEU HG 4.08<br /> 62 PHE HZ 95 LEU QD1 4.19<br /> 12 PRO HG2 14 HIS HE1 4.38<br /> 12 PRO HG3 14 HIS HE1 3.94<br /> 33 VAL HB 34 HIS HE1 4.70<br /> 104 HIS HE1 105 ARG HB2 5.44<br /> 61 HIS H 62 PHE QD 5.50<br /> 52 SER H 62 PHE QD 5.50<br /> 60 ARG H 62 PHE QD 5.50<br /> 42 GLU HB2 49 TYR QD 3.43<br /> 49 TYR QD 64 ILE QG2 4.01<br /> 78 PHE HA 78 PHE QE 4.67<br /> 53 VAL H 62 PHE QE 3.98<br /> 78 PHE QE 79 PRO HD2 4.42<br /> 38 PHE HZ 106 ALA HA 5.08<br /> 19 TYR QD 40 VAL H 4.67<br /> 78 PHE QD 87 HIS HB2 4.66<br /> 78 PHE QE 87 HIS HB2 4.01<br /> 78 PHE QE 83 LEU HB3 4.16<br /> 78 PHE QD 84 LEU QD1 4.50<br /> 61 HIS H 62 PHE QE 5.50<br /> 25 ARG HA 61 HIS HE1 4.87<br /> 28 VAL HB 61 HIS HE1 4.02<br /> 28 VAL QG2 61 HIS HE1 4.61<br /> 55 TRP HH2 102 VAL QG2 3.20<br /> 18 TRP HH2 82 PRO HA 3.18<br /> 18 TRP HH2 81 ILE HB 4.00<br /> 18 TRP HH2 81 ILE QG2 2.59<br /> 13 LEU HG 18 TRP HH2 3.84<br /> 55 TRP HZ3 102 VAL HB 3.80<br /> 18 TRP HE3 40 VAL HB 2.48<br /> 18 TRP HE3 40 VAL QG1 4.28<br /> 61 HIS H 61 HIS HD2 4.06<br /> 61 HIS HB2 61 HIS HD2 2.85<br /> 36 GLY H 55 TRP HE3 3.34<br /> 55 TRP HA 55 TRP HE3 2.97<br /> 55 TRP HB2 55 TRP HE3 2.96<br /> 18 TRP HZ3 40 VAL QG1 4.00<br /> 13 LEU HG 18 TRP HZ3 3.56<br /> 34 HIS QB 34 HIS HD2 3.29<br /> 33 VAL HB 34 HIS HD2 4.74<br /> 87 HIS HD2 88 LEU QD2 5.50<br /> 42 GLU HB2 49 TYR QE 3.17<br /> 42 GLU HG3 49 TYR QE 4.19<br /> 13 LEU QD2 49 TYR QE 4.57<br /> 49 TYR QE 81 ILE QD1 4.96<br /> 13 LEU QD1 49 TYR QE 3.13<br /> 71 TYR QE 80 SER HA 2.50<br /> 66 SER HB2 71 TYR QE 3.97<br /> 64 ILE QG2 71 TYR QE 4.16<br /> 71 TYR QE 81 ILE QD1 3.41<br /> 14 HIS HA 19 TYR QE 3.25<br /> 14 HIS HB3 19 TYR QE 4.71<br /> 19 TYR QE 40 VAL HB 5.32<br /> 13 LEU QD1 19 TYR QE 3.78<br /> 19 TYR QE 21 GLY H 4.01<br /> 20 HIS H 20 HIS HD2 3.25<br /> 20 HIS HD2 39 LEU HB2 2.40<br /> 18 TRP HZ2 82 PRO HA 2.70<br /> 18 TRP HZ2 82 PRO HB3 2.94<br /> 18 TRP HZ2 85 ILE HB 4.03<br /> 42 GLU HA 49 TYR QE 4.38<br /> 49 TYR HA 49 TYR QE 4.57<br /> 13 LEU HB3 49 TYR QE 4.93<br /> 42 GLU HB3 49 TYR QE 4.61<br /> 13 LEU HG 49 TYR QE 5.35<br /> 49 TYR QE 64 ILE QD1 5.33<br /> 49 TYR QE 81 ILE QG2 5.50<br /> 49 TYR H 49 TYR QE 5.15<br /> 19 TYR QE 42 GLU H 4.69<br /> 19 TYR HA 19 TYR QE 4.74<br /> 19 TYR QE 41 ARG HA 4.54<br /> 14 HIS HB2 19 TYR QE 4.71<br /> 19 TYR QE 42 GLU HB2 4.10<br /> 19 TYR QE 42 GLU HG3 5.24<br /> 13 LEU HG 19 TYR QE 4.54<br /> 13 LEU QD2 19 TYR QE 3.91<br /> 71 TYR H 71 TYR QE 4.87<br /> 71 TYR QE 81 ILE H 4.18<br /> 71 TYR HA 71 TYR QE 4.81<br /> 66 SER HA 71 TYR QE 4.95<br /> 71 TYR QE 80 SER HB2 5.41<br /> 71 TYR QE 80 SER HB3 5.41<br /> 66 SER HB3 71 TYR QE 3.97<br /> 64 ILE QD1 71 TYR QE 5.50<br /> 71 TYR QE 81 ILE QG2 5.50<br /> 33 VAL QG1 34 HIS HD2 5.50<br /> 33 VAL QG2 34 HIS HD2 5.50<br /> 18 TRP HB2 18 TRP HE3 4.17<br /> 18 TRP HE3 40 VAL QG2 4.28<br /> 18 TRP HH2 82 PRO HD3 4.29<br /> 18 TRP HH2 82 PRO HB3 4.22<br /> 18 TRP HH2 40 VAL HB 5.05<br /> 18 TRP HH2 82 PRO HG3 5.26<br /> 18 TRP HH2 82 PRO HB2 4.99<br /> 16 GLN HG3 18 TRP HH2 4.13<br /> 16 GLN HB3 18 TRP HH2 5.18<br /> 55 TRP HZ2 102 VAL HB 5.29<br /> 55 TRP HZ2 101 VAL HA 4.86<br /> 55 TRP HZ2 101 VAL QG1 5.50<br /> 55 TRP HZ2 101 VAL QG2 5.50<br /> 55 TRP HZ2 102 VAL QG2 4.16<br /> 18 TRP HZ3 82 PRO HA 5.50<br /> 18 TRP HZ3 40 VAL QG2 4.00<br /> 18 TRP HZ2 85 ILE H 5.50<br /> 18 TRP HZ2 82 PRO HB2 3.98<br /> 16 GLN HG3 18 TRP HZ2 3.99<br /> 18 TRP HZ2 85 ILE QG1 4.59<br /> 18 TRP HZ2 81 ILE QG2 4.13<br /> 13 LEU HG 18 TRP HZ2 5.50<br /> 18 TRP HZ2 82 PRO HG2 4.96<br /> 18 TRP HZ2 82 PRO HG3 4.35<br /> 16 GLN HB3 18 TRP HZ2 3.99<br /> 18 TRP HZ2 85 ILE QG2 4.38<br /> 33 VAL H 34 HIS HD2 5.50<br /> 78 PHE QE 87 HIS HD2 4.52<br /> 87 HIS H 87 HIS HD2 5.50<br /> 87 HIS HA 87 HIS HD2 5.17<br /> 87 HIS HD2 88 LEU HA 4.36<br /> 84 LEU HA 87 HIS HD2 5.50<br /> 87 HIS HD2 88 LEU QD1 5.50<br /> 104 HIS H 104 HIS HD2 5.50<br /> 36 GLY H 104 HIS HD2 5.50<br /> 104 HIS HA 104 HIS HD2 5.46<br /> 19 TYR HA 20 HIS HD2 4.20<br /> 18 TRP HA 20 HIS HD2 4.52<br /> 20 HIS HD2 39 LEU HA 4.52<br /> 20 HIS HA 20 HIS HD2 4.62<br /> 20 HIS HD2 39 LEU HG 3.89<br /> 20 HIS HD2 39 LEU QD2 3.68<br /> 55 TRP HB2 55 TRP HZ3 5.35<br /> 55 TRP HZ3 101 VAL HA 4.70<br /> 55 TRP HH2 101 VAL HA 4.60<br /> 35 SER HA 55 TRP HE3 4.70<br /> 55 TRP HE3 102 VAL QG2 5.50<br /> 7 GLY QA 9 VAL QQG 3.79<br /> 7 GLY QA 10 GLN QB 5.34<br /> 8 GLU HA 11 LYS QE 4.14<br /> 9 VAL H 9 VAL QQG 2.91<br /> 9 VAL H 11 LYS QG 5.34<br /> 9 VAL HA 9 VAL QQG 3.05<br /> 9 VAL HA 86 ASP QB 5.14<br /> 9 VAL QQG 10 GLN H 3.70<br /> 9 VAL QQG 10 GLN QG 3.77<br /> 9 VAL QQG 10 GLN QE2 4.18<br /> 9 VAL QQG 82 PRO HA 5.44<br /> 9 VAL QQG 82 PRO HB3 5.44<br /> 9 VAL QQG 83 LEU H 5.44<br /> 9 VAL QQG 86 ASP H 5.44<br /> 9 VAL QQG 86 ASP QB 3.10<br /> 10 GLN H 10 GLN QB 3.04<br /> 10 GLN H 11 LYS QG 5.16<br /> 10 GLN HA 10 GLN QE2 5.34<br /> 10 GLN QB 11 LYS H 3.68<br /> 10 GLN QG 10 GLN QE2 3.39<br /> 11 LYS H 11 LYS QG 3.14<br /> 11 LYS H 11 LYS QE 5.34<br /> 11 LYS HA 11 LYS QG 3.57<br /> 11 LYS QG 11 LYS QE 3.12<br /> 11 LYS QG 12 PRO QD 4.53<br /> 11 LYS QG 16 GLN HE21 5.34<br /> 11 LYS QG 16 GLN HE22 5.34<br /> 12 PRO QB 13 LEU H 3.97<br /> 12 PRO QB 14 HIS H 3.39<br /> 12 PRO QB 14 HIS HE1 3.34<br /> 12 PRO QB 15 GLU H 5.34<br /> 12 PRO QD 15 GLU QB 4.30<br /> 13 LEU HG 19 TYR QB 4.22<br /> 13 LEU HG 40 VAL QQG 4.04<br /> 13 LEU QD1 40 VAL QQG 3.98<br /> 13 LEU QD2 40 VAL QQG 4.18<br /> 14 HIS QB 15 GLU H 4.12<br /> 14 HIS QB 19 TYR QE 4.14<br /> 15 GLU H 15 GLU QB 2.91<br /> 15 GLU H 15 GLU QG 4.45<br /> 15 GLU QB 16 GLN H 3.70<br /> 15 GLU QG 16 GLN H 4.66<br /> 16 GLN H 19 TYR QB 4.08<br /> 16 GLN HA 17 LEU QQD 5.26<br /> 16 GLN HB2 19 TYR QB 4.42<br /> 16 GLN HB3 17 LEU QQD 5.44<br /> 17 LEU H 17 LEU QQD 3.10<br /> 17 LEU QQD 18 TRP H 3.85<br /> 17 LEU QQD 18 TRP HD1 3.46<br /> 17 LEU QQD 19 TYR H 5.44<br /> 17 LEU QQD 108 PRO HA 5.44<br /> 17 LEU QQD 108 PRO QB 4.10<br /> 17 LEU QQD 109 SER H 4.52<br /> 17 LEU QQD 110 GLY H 5.44<br /> 18 TRP H 19 TYR QB 4.74<br /> 18 TRP HB3 107 VAL QQG 5.44<br /> 18 TRP HE3 19 TYR QB 4.64<br /> 18 TRP HE3 40 VAL QQG 3.34<br /> 18 TRP HZ3 40 VAL QQG 3.09<br /> 18 TRP HH2 40 VAL QQG 3.93<br /> 19 TYR QD 40 VAL QQG 2.55<br /> 19 TYR QE 21 GLY QA 3.69<br /> 19 TYR QE 40 VAL QQG 3.19<br /> 20 HIS H 40 VAL QQG 5.23<br /> 20 HIS HA 109 SER QB 4.01<br /> 20 HIS HD2 107 VAL QQG 5.05<br /> 20 HIS HD2 109 SER QB 4.24<br /> 20 HIS HE1 107 VAL QQG 2.99<br /> 21 GLY QA 22 ALA H 2.93<br /> 21 GLY QA 23 ILE H 4.95<br /> 21 GLY QA 23 ILE QG2 5.34<br /> 21 GLY QA 23 ILE QD1 5.34<br /> 21 GLY QA 42 GLU H 4.23<br /> 23 ILE H 23 ILE QG1 3.21<br /> 23 ILE QG2 41 ARG QD 5.34<br /> 23 ILE QG1 24 PRO HD2 4.56<br /> 23 ILE QG1 28 VAL HA 5.34<br /> 23 ILE QG1 39 LEU QD2 4.27<br /> 23 ILE QG1 41 ARG HA 4.54<br /> 23 ILE QG1 41 ARG HB2 4.13<br /> 23 ILE QG1 41 ARG HB3 5.34<br /> 23 ILE QG1 41 ARG QD 3.69<br /> 23 ILE QD1 41 ARG QG 5.34<br /> 24 PRO QB 25 ARG H 3.99<br /> 24 PRO QB 26 ALA H 4.70<br /> 24 PRO QB 27 GLU H 4.22<br /> 25 ARG H 25 ARG QG 4.50<br /> 25 ARG HA 25 ARG QG 3.42<br /> 25 ARG HA 28 VAL QQG 3.47<br /> 25 ARG QB 28 VAL QQG 5.44<br /> 27 GLU H 28 VAL QQG 3.50<br /> 27 GLU HB2 28 VAL QQG 5.44<br /> 27 GLU HB3 28 VAL QQG 5.44<br /> 28 VAL H 28 VAL QQG 2.76<br /> 28 VAL HA 28 VAL QQG 3.08<br /> 28 VAL QQG 29 ALA H 3.83<br /> 28 VAL QQG 30 GLU H 5.44<br /> 28 VAL QQG 31 LEU H 5.44<br /> 28 VAL QQG 32 LEU QD1 3.67<br /> 28 VAL QQG 32 LEU QD2 3.45<br /> 28 VAL QQG 39 LEU H 5.38<br /> 28 VAL QQG 39 LEU HG 3.74<br /> 28 VAL QQG 41 ARG QD 3.32<br /> 28 VAL QQG 41 ARG HE 4.36<br /> 28 VAL QQG 52 SER QB 3.28<br /> 28 VAL QQG 59 PRO HB2 5.08<br /> 28 VAL QQG 59 PRO HG3 5.44<br /> 28 VAL QQG 61 HIS HE1 3.15<br /> 30 GLU HA 33 VAL QQG 5.44<br /> 31 LEU HA 33 VAL QQG 5.44<br /> 31 LEU HA 107 VAL QQG 4.76<br /> 31 LEU HB2 107 VAL QQG 3.94<br /> 31 LEU HB3 107 VAL QQG 3.52<br /> 31 LEU HG 107 VAL QQG 5.21<br /> 32 LEU H 33 VAL QQG 5.44<br /> 32 LEU H 107 VAL QQG 5.10<br /> 32 LEU HA 33 VAL QQG 4.34<br /> 32 LEU HA 107 VAL QQG 3.65<br /> 32 LEU HB2 54 LEU QQD 4.00<br /> 32 LEU HG 107 VAL QQG 3.90<br /> 32 LEU QD2 52 SER QB 3.92<br /> 32 LEU QD2 107 VAL QQG 4.55<br /> 33 VAL H 33 VAL QQG 3.01<br /> 33 VAL H 54 LEU QQD 3.72<br /> 33 VAL H 107 VAL QQG 4.51<br /> 33 VAL HA 33 VAL QQG 2.94<br /> 33 VAL HA 54 LEU QQD 3.95<br /> 33 VAL QQG 34 HIS H 3.55<br /> 33 VAL QQG 34 HIS HD2 4.12<br /> 33 VAL QQG 34 HIS HE1 3.71<br /> 34 HIS H 54 LEU QQD 3.74<br /> 34 HIS H 107 VAL QQG 5.44<br /> 34 HIS HA 54 LEU QQD 3.92<br /> 35 SER HA 54 LEU QQD 3.87<br /> 35 SER QB 36 GLY H 3.92<br /> 35 SER QB 55 TRP HE3 4.27<br /> 35 SER QB 55 TRP HZ3 4.74<br /> 36 GLY H 53 VAL QQG 4.05<br /> 36 GLY H 54 LEU QQD 4.62<br /> 36 GLY H 101 VAL QQG 5.44<br /> 36 GLY QA 53 VAL QQG 3.75<br /> 36 GLY QA 55 TRP HE3 3.85<br /> 36 GLY QA 55 TRP HZ3 3.84<br /> 36 GLY QA 101 VAL QQG 5.28<br /> 36 GLY QA 104 HIS H 3.74<br /> 36 GLY QA 104 HIS QB 4.76<br /> 36 GLY QA 104 HIS HD2 4.38<br /> 36 GLY QA 105 ARG H 5.34<br /> 37 ASP H 53 VAL QQG 5.44<br /> 37 ASP H 54 LEU QQD 5.44<br /> 37 ASP H 107 VAL QQG 5.44<br /> 37 ASP HA 107 VAL QQG 4.07<br /> 37 ASP HB2 107 VAL QQG 3.83<br /> 37 ASP HB3 107 VAL QQG 3.34<br /> 38 PHE H 105 ARG QG 5.34<br /> 38 PHE H 107 VAL QQG 3.26<br /> 38 PHE HA 53 VAL QQG 4.43<br /> 38 PHE HA 107 VAL QQG 5.30<br /> 38 PHE HB2 53 VAL QQG 3.54<br /> 38 PHE HD1 107 VAL QQG 5.44<br /> 38 PHE HE1 89 LEU QQD 2.72<br /> 38 PHE HE1 105 ARG QG 5.34<br /> 38 PHE HZ 89 LEU QQD 4.33<br /> 38 PHE HE2 89 LEU QQD 4.18<br /> 38 PHE HD2 40 VAL QQG 4.69<br /> 38 PHE HD2 53 VAL QQG 4.61<br /> 39 LEU H 52 SER QB 4.25<br /> 39 LEU H 53 VAL QQG 4.28<br /> 39 LEU H 107 VAL QQG 5.44<br /> 39 LEU HB2 107 VAL QQG 5.41<br /> 39 LEU HG 107 VAL QQG 3.80<br /> 39 LEU QD1 52 SER QB 4.40<br /> 39 LEU QD2 41 ARG QD 3.93<br /> 39 LEU QD2 52 SER QB 3.66<br /> 40 VAL H 40 VAL QQG 3.35<br /> 40 VAL HA 40 VAL QQG 3.10<br /> 40 VAL HA 41 ARG QG 5.34<br /> 40 VAL HA 50 VAL QQG 5.44<br /> 40 VAL QQG 41 ARG H 3.03<br /> 40 VAL QQG 41 ARG HA 5.44<br /> 40 VAL QQG 49 TYR HB2 4.62<br /> 40 VAL QQG 49 TYR HB3 3.79<br /> 40 VAL QQG 49 TYR QD 3.24<br /> 40 VAL QQG 49 TYR QE 5.23<br /> 40 VAL QQG 50 VAL H 3.75<br /> 40 VAL QQG 51 LEU HA 3.70<br /> 40 VAL QQG 52 SER H 4.39<br /> 40 VAL QQG 64 ILE QD1 3.32<br /> 40 VAL QQG 81 ILE QG2 3.56<br /> 40 VAL QQG 81 ILE QD1 5.44<br /> 40 VAL QQG 85 ILE QD1 4.14<br /> 41 ARG H 41 ARG QG 3.19<br /> 41 ARG H 41 ARG QD 4.39<br /> 41 ARG H 50 VAL QQG 4.96<br /> 41 ARG H 52 SER QB 5.34<br /> 41 ARG QG 42 GLU H 5.06<br /> 41 ARG QG 50 VAL H 4.25<br /> 41 ARG QG 50 VAL HB 4.62<br /> 41 ARG QG 50 VAL QQG 4.06<br /> 41 ARG HE 50 VAL QQG 5.01<br /> 43 SER H 48 GLU QB 4.78<br /> 43 SER H 50 VAL QQG 4.23<br /> 43 SER HA 50 VAL QQG 4.82<br /> 43 SER QB 46 LYS QB 4.23<br /> 43 SER QB 48 GLU QB 3.55<br /> 43 SER QB 50 VAL QQG 3.95<br /> 44 GLN HA 44 GLN QE2 5.34<br /> 44 GLN QB 44 GLN QE2 3.65<br /> 44 GLN QB 45 GLY QA 5.34<br /> 44 GLN QG 45 GLY QA 5.34<br /> 46 LYS H 46 LYS QB 3.54<br /> 46 LYS H 46 LYS QG 4.70<br /> 46 LYS QB 48 GLU H 5.34<br /> 46 LYS QG 46 LYS QE 3.51<br /> 48 GLU H 48 GLU QB 3.01<br /> 48 GLU H 48 GLU QG 5.34<br /> 48 GLU QB 63 ILE QG2 4.41<br /> 48 GLU QG 49 TYR H 4.42<br /> 48 GLU QG 50 VAL H 5.34<br /> 48 GLU QG 50 VAL QQG 4.56<br /> 48 GLU QG 63 ILE QG2 3.34<br /> 49 TYR HA 50 VAL QQG 4.71<br /> 49 TYR HB3 81 ILE QG1 5.34<br /> 49 TYR QD 81 ILE QG1 4.35<br /> 50 VAL H 50 VAL QQG 3.27<br /> 50 VAL QQG 51 LEU H 3.55<br /> 50 VAL QQG 52 SER H 3.86<br /> 50 VAL QQG 52 SER HA 4.03<br /> 50 VAL QQG 61 HIS H 5.23<br /> 50 VAL QQG 61 HIS HA 3.99<br /> 50 VAL QQG 61 HIS HB2 4.18<br /> 50 VAL QQG 61 HIS HB3 3.55<br /> 50 VAL QQG 62 PHE H 3.69<br /> 50 VAL QQG 63 ILE H 5.44<br /> 50 VAL QQG 63 ILE QG1 4.45<br /> 51 LEU H 62 PHE QB 3.94<br /> 51 LEU H 64 ILE QG1 3.77<br /> 51 LEU HB2 62 PHE QB 5.34<br /> 51 LEU HB2 64 ILE QG1 3.51<br /> 51 LEU HB3 53 VAL QQG 4.81<br /> 51 LEU HB3 62 PHE QB 3.74<br /> 51 LEU HB3 64 ILE QG1 5.25<br /> 51 LEU HG 62 PHE QB 5.30<br /> 52 SER H 52 SER QB 3.21<br /> 52 SER H 53 VAL QQG 5.26<br /> 52 SER HA 53 VAL QQG 5.44<br /> 52 SER QB 53 VAL H 4.01<br /> 52 SER QB 61 HIS HE1 3.75<br /> 53 VAL H 53 VAL QQG 3.39<br /> 53 VAL H 101 VAL QQG 5.44<br /> 53 VAL HB 101 VAL QQG 4.01<br /> 53 VAL QQG 54 LEU H 3.44<br /> 53 VAL QQG 55 TRP H 4.45<br /> 53 VAL QQG 55 TRP HB2 4.88<br /> 53 VAL QQG 55 TRP HB3 5.41<br /> 53 VAL QQG 55 TRP HE3 3.67<br /> 53 VAL QQG 59 PRO HA 5.44<br /> 53 VAL QQG 60 ARG H 4.54<br /> 53 VAL QQG 60 ARG HB2 5.44<br /> 53 VAL QQG 62 PHE H 5.44<br /> 53 VAL QQG 62 PHE QD 3.16<br /> 53 VAL QQG 62 PHE QE 2.92<br /> 53 VAL QQG 95 LEU QD1 3.22<br /> 53 VAL QQG 101 VAL QQG 3.02<br /> 53 VAL QQG 103 LEU HG 3.43<br /> 53 VAL QQG 104 HIS H 5.44<br /> 54 LEU H 54 LEU QQD 4.29<br /> 54 LEU H 101 VAL QQG 5.44<br /> 54 LEU HA 54 LEU QQD 3.27<br /> 54 LEU QQD 55 TRP H 3.45<br /> 54 LEU QQD 57 GLY H 3.80<br /> 54 LEU QQD 57 GLY QA 4.99<br /> 54 LEU QQD 58 LEU H 3.56<br /> 54 LEU QQD 58 LEU HA 4.01<br /> 54 LEU QQD 59 PRO HA 3.61<br /> 54 LEU QQD 59 PRO HB3 3.26<br /> 54 LEU QQD 59 PRO HG2 5.44<br /> 54 LEU QQD 59 PRO HG3 4.26<br /> 54 LEU QQD 59 PRO QD 4.75<br /> 54 LEU QQD 60 ARG H 4.60<br /> 55 TRP HB2 101 VAL QQG 3.24<br /> 55 TRP HB3 101 VAL QQG 3.61<br /> 55 TRP HD1 56 ASP QB 5.34<br /> 55 TRP HD1 101 VAL QQG 4.50<br /> 55 TRP HE3 101 VAL QQG 3.00<br /> 55 TRP HE1 56 ASP QB 4.76<br /> 55 TRP HE1 100 GLY QA 5.13<br /> 55 TRP HE1 101 VAL QQG 4.12<br /> 55 TRP HZ3 101 VAL QQG 4.11<br /> 55 TRP HZ3 104 HIS QB 5.05<br /> 55 TRP HH2 101 VAL QQG 5.16<br /> 56 ASP QB 58 LEU H 5.34<br /> 57 GLY QA 58 LEU H 2.95<br /> 58 LEU H 59 PRO QD 3.94<br /> 58 LEU HA 59 PRO QD 3.17<br /> 58 LEU QB 59 PRO QD 4.37<br /> 58 LEU QB 101 VAL QQG 5.44<br /> 58 LEU QQD 59 PRO QD 3.64<br /> 58 LEU QQD 60 ARG QD 5.34<br /> 58 LEU QQD 101 VAL QQG 4.99<br /> 59 PRO HA 101 VAL QQG 5.44<br /> 60 ARG H 60 ARG QD 5.21<br /> 60 ARG HA 60 ARG QD 3.37<br /> 60 ARG HB3 101 VAL QQG 5.32<br /> 60 ARG HG3 101 VAL QQG 4.10<br /> 60 ARG QD 61 HIS H 4.22<br /> 60 ARG QD 101 VAL QQG 4.85<br /> 62 PHE H 62 PHE QB 3.34<br /> 62 PHE QB 63 ILE H 3.93<br /> 62 PHE QB 73 LEU HG 5.34<br /> 62 PHE QB 95 LEU QD1 5.34<br /> 62 PHE QD 101 VAL QQG 4.39<br /> 62 PHE QE 101 VAL QQG 2.40<br /> 62 PHE HZ 101 VAL QQG 2.40<br /> 63 ILE H 63 ILE QG1 3.05<br /> 63 ILE HA 63 ILE QG1 3.47<br /> 63 ILE HB 65 GLN QE2 4.73<br /> 63 ILE QG2 65 GLN QG 5.34<br /> 63 ILE QG2 65 GLN QE2 3.55<br /> 63 ILE QG1 64 ILE H 4.81<br /> 64 ILE H 64 ILE QG1 3.44<br /> 64 ILE HA 64 ILE QG1 3.64<br /> 64 ILE QG2 64 ILE QG1 3.30<br /> 64 ILE QG2 81 ILE QG1 3.87<br /> 65 GLN H 65 GLN QG 3.56<br /> 65 GLN HA 66 SER QB 5.34<br /> 65 GLN HB3 67 LEU QQD 5.44<br /> 65 GLN QG 65 GLN QE2 3.19<br /> 65 GLN QG 66 SER H 4.62<br /> 65 GLN QG 72 ARG QG 5.34<br /> 65 GLN QG 73 LEU HG 5.34<br /> 65 GLN QG 73 LEU QQD 5.34<br /> 66 SER H 66 SER QB 3.12<br /> 66 SER H 67 LEU QB 4.56<br /> 66 SER H 67 LEU QQD 5.44<br /> 66 SER HA 67 LEU QQD 5.44<br /> 66 SER QB 67 LEU H 3.70<br /> 66 SER QB 71 TYR QD 3.33<br /> 66 SER QB 71 TYR QE 3.20<br /> 67 LEU H 67 LEU QB 3.30<br /> 67 LEU H 67 LEU QQD 4.58<br /> 67 LEU HA 67 LEU QQD 3.69<br /> 67 LEU QB 68 ASP QB 5.06<br /> 67 LEU HG 68 ASP QB 5.34<br /> 67 LEU QQD 68 ASP H 5.44<br /> 67 LEU QQD 68 ASP QB 4.85<br /> 68 ASP QB 70 LEU H 4.00<br /> 68 ASP QB 70 LEU QD1 5.34<br /> 69 ASN QB 69 ASN QD2 3.17<br /> 70 LEU HB2 77 GLY QA 5.34<br /> 70 LEU HB3 77 GLY QA 3.75<br /> 70 LEU QD2 77 GLY QA 3.89<br /> 71 TYR H 77 GLY QA 4.41<br /> 71 TYR HB3 81 ILE QG1 5.34<br /> 71 TYR QD 81 ILE QG1 3.49<br /> 71 TYR QE 80 SER QB 4.76<br /> 71 TYR QE 81 ILE QG1 4.34<br /> 72 ARG H 72 ARG QD 5.34<br /> 72 ARG HA 84 LEU QQD 4.15<br /> 72 ARG HB2 72 ARG QD 3.46<br /> 72 ARG HB3 77 GLY QA 3.32<br /> 73 LEU H 84 LEU QQD 4.64<br /> 74 GLU QB 96 THR QG2 4.19<br /> 75 GLY QA 76 GLU H 2.74<br /> 76 GLU H 76 GLU QG 4.35<br /> 76 GLU QG 77 GLY H 3.80<br /> 77 GLY QA 78 PHE H 2.66<br /> 78 PHE HB2 84 LEU QQD 5.44<br /> 78 PHE HB3 84 LEU QQD 5.44<br /> 78 PHE QD 84 LEU QQD 3.02<br /> 78 PHE QE 84 LEU QQD 2.64<br /> 79 PRO HB2 80 SER QB 4.93<br /> 79 PRO QG 80 SER QB 4.28<br /> 80 SER QB 81 ILE H 3.39<br /> 80 SER QB 82 PRO HD2 3.33<br /> 80 SER QB 82 PRO HD3 4.35<br /> 80 SER QB 83 LEU H 4.16<br /> 80 SER QB 83 LEU HB2 3.93<br /> 80 SER QB 83 LEU HG 5.34<br /> 80 SER QB 83 LEU QD2 4.12<br /> 81 ILE H 81 ILE QG1 3.27<br /> 81 ILE HA 81 ILE QG1 3.21<br /> 83 LEU HA 86 ASP QB 3.62<br /> 83 LEU QD1 86 ASP QB 5.34<br /> 84 LEU H 84 LEU QQD 4.19<br /> 84 LEU H 86 ASP QB 5.34<br /> 84 LEU HA 84 LEU QQD 3.10<br /> 84 LEU QQD 85 ILE HA 5.44<br /> 84 LEU QQD 85 ILE QD1 4.64<br /> 84 LEU QQD 87 HIS H 4.80<br /> 84 LEU QQD 87 HIS HB2 5.44<br /> 84 LEU QQD 87 HIS HB3 4.59<br /> 84 LEU QQD 87 HIS HD2 4.17<br /> 84 LEU QQD 88 LEU H 4.10<br /> 84 LEU QQD 88 LEU QQD 3.79<br /> 85 ILE H 86 ASP QB 4.77<br /> 85 ILE HA 88 LEU QQD 3.91<br /> 85 ILE HA 89 LEU QQD 5.44<br /> 85 ILE QG2 89 LEU QQD 3.49<br /> 86 ASP H 86 ASP QB 3.15<br /> 86 ASP HA 89 LEU QQD 4.14<br /> 86 ASP QB 87 HIS H 3.31<br /> 86 ASP QB 88 LEU H 5.34<br /> 86 ASP QB 89 LEU QQD 5.28<br /> 87 HIS H 88 LEU QQD 4.26<br /> 87 HIS HB2 88 LEU QQD 5.44<br /> 87 HIS HB3 88 LEU QQD 5.44<br /> 87 HIS HD2 88 LEU QQD 4.45<br /> 87 HIS HE1 88 LEU QQD 5.44<br /> 88 LEU H 88 LEU QQD 2.87<br /> 88 LEU H 89 LEU QQD 5.44<br /> 88 LEU HA 88 LEU QQD 3.57<br /> 88 LEU HB2 88 LEU QQD 2.65<br /> 88 LEU QQD 89 LEU H 5.16<br /> 88 LEU QQD 89 LEU HB2 5.44<br /> 88 LEU QQD 91 THR H 5.44<br /> 88 LEU QQD 95 LEU HA 4.31<br /> 88 LEU QQD 95 LEU HG 3.62<br /> 88 LEU QQD 95 LEU QD2 3.94<br /> 88 LEU QQD 103 LEU QD2 3.61<br /> 89 LEU H 89 LEU QQD 3.84<br /> 89 LEU HA 89 LEU QQD 3.12<br /> 89 LEU HA 92 GLN QE2 3.25<br /> 89 LEU HB2 92 GLN QE2 5.34<br /> 89 LEU QQD 90 SER H 4.71<br /> 89 LEU QQD 92 GLN QE2 3.38<br /> 89 LEU QQD 103 LEU QD2 5.44<br /> 89 LEU QQD 104 HIS HA 4.53<br /> 89 LEU QQD 104 HIS QB 5.28<br /> 89 LEU QQD 105 ARG HA 4.70<br /> 89 LEU QQD 106 ALA H 4.56<br /> 91 THR HA 93 GLN QG 5.34<br /> 91 THR HB 93 GLN QG 3.85<br /> 91 THR HB 93 GLN QE2 5.34<br /> 91 THR QG2 93 GLN QE2 4.28<br /> 92 GLN HA 92 GLN QE2 3.56<br /> 92 GLN HA 93 GLN QG 5.34<br /> 92 GLN QB 102 VAL QG1 3.85<br /> 92 GLN QG 92 GLN QE2 2.95<br /> 92 GLN QE2 102 VAL QG1 3.63<br /> 92 GLN QE2 104 HIS HA 3.79<br /> 93 GLN H 93 GLN QG 3.52<br /> 93 GLN HA 94 PRO QG 5.05<br /> 93 GLN HA 94 PRO QD 2.55<br /> 93 GLN QB 93 GLN QE2 4.24<br /> 93 GLN QB 94 PRO QD 3.56<br /> 93 GLN QG 94 PRO QD 4.19<br /> 94 PRO HA 101 VAL QQG 5.44<br /> 94 PRO QB 95 LEU H 3.61<br /> 94 PRO QB 96 THR H 4.31<br /> 94 PRO QB 97 LYS HA 5.22<br /> 94 PRO QB 100 GLY H 4.62<br /> 94 PRO QB 100 GLY QA 3.33<br /> 94 PRO QB 101 VAL QQG 5.28<br /> 94 PRO QG 95 LEU H 5.03<br /> 94 PRO QG 102 VAL QG1 5.35<br /> 94 PRO QG 102 VAL QG2 4.05<br /> 95 LEU H 101 VAL QQG 4.75<br /> 95 LEU HG 101 VAL QQG 5.23<br /> 97 LYS HA 97 LYS QD 3.44<br /> 99 SER HA 101 VAL QQG 4.62<br /> 99 SER QB 101 VAL QQG 3.60<br /> 99 SER HG 101 VAL QQG 4.20<br /> 100 GLY H 101 VAL QQG 4.87<br /> 101 VAL H 101 VAL QQG 2.96<br /> 101 VAL HA 101 VAL QQG 3.06<br /> 101 VAL QQG 102 VAL HA 5.44<br /> 101 VAL QQG 102 VAL HB 5.44<br /> 101 VAL QQG 103 LEU H 5.44<br /> 101 VAL QQG 103 LEU QD1 5.44<br /> 102 VAL HB 104 HIS QB 5.34<br /> 105 ARG H 105 ARG QG 4.99<br /> 105 ARG QG 106 ALA H 3.62<br /> 105 ARG QD 106 ALA H 5.34<br /> 106 ALA H 107 VAL QQG 5.44<br /> 106 ALA HA 107 VAL QQG 4.05<br /> 107 VAL H 107 VAL QQG 3.03<br /> 107 VAL HA 107 VAL QQG 2.99<br /> 107 VAL HA 108 PRO QG 5.11<br /> 107 VAL QQG 108 PRO QG 5.28<br /> 107 VAL QQG 108 PRO QD 3.51<br /> 107 VAL QQG 109 SER QB 5.28<br /> 108 PRO QB 109 SER H 3.46<br /> 108 PRO QB 110 GLY H 3.89<br /> 109 SER H 109 SER QB 3.02<br /> 109 SER QB 110 GLY H 3.53<br /> 110 GLY QA 111 PRO QG 4.18<br /> 110 GLY QA 111 PRO QD 2.70<br /> <br /> # Lower distance limit<br /> 81 ILE O 85 ILE H 1.80 <br /> 81 ILE O 85 ILE N 2.70 <br /> 82 PRO O 86 ASP H 1.80 <br /> 82 PRO O 86 ASP N 2.70 <br /> 83 LEU O 87 HIS H 1.80 <br /> 83 LEU O 87 HIS N 2.70 <br /> 84 LEU O 88 LEU H 1.80 <br /> 84 LEU O 88 LEU N 2.70 <br /> 85 ILE O 89 LEU H 1.80 <br /> 85 ILE O 89 LEU N 2.70 <br /> 86 ASP O 90 SER H 1.80 <br /> 86 ASP O 90 SER N 2.70 <br /> 87 HIS O 91 THR H 1.80 <br /> 87 HIS O 91 THR N 2.70</div>

Donata https://cyana.org/w/index.php?title=Structure_calculation_using_manually_assigned_NOESY_peak_lists&diff=6552 2009-07-15T10:57:53Z

<p>Donata: </p> <hr /> <div>This calculation shows how to calculate a structure from previously assigned NOESY peak lists. The input data are in the subdirectory ‘manual’ of the [[Media:Cyana-3.0-demo.zip|demo data zip archive]]:<br /> <br /> ;demo.seq:amino acid sequence<br /> ;c13.peaks:peak list from 3D &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;n15.peaks:peak list from 3D &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;aro.peaks:peak list from 3D aromatic &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;demo.prot:&lt;sup&gt;1&lt;/sup&gt;H, &lt;sup&gt;13&lt;/sup&gt;C, and &lt;sup&gt;15&lt;/sup&gt;N chemical shift list<br /> ;demo.aco:dihedral angle restraints<br /> ;init.cya:initialization macro<br /> ;CALC.cya:macro for the structure calculation<br /> <br /> <br /> The structure calculation is performed by the commands in the macro file '''CALC.cya''':<br /> <br /> name := demo<br /> peaks := c13,n15,aro # names of peak list(s) <br /> prot := $name # names of proton list(s)<br /> tolerance := 0.040,0.030,0.45 # shift tolerances: H, H', C/N', C/N<br /> calibration:= 6.7E5,8.2E5,8.0E4 # calibration constants, automatic if empty<br /> dref := 4.2 # average distance limit for automatic calibration<br /> <br /> if (master) then # execute the following commands only on master node<br /> <br /> # ---- check consistency of peak and chemical shift lists----<br /> <br /> peakcheck peaks=$peaks prot=$prot # check consistency of peak and shift assignments<br /> <br /> # ---- calibration ----<br /> <br /> calibration prot=$prot peaks=$peaks constant=$val('calibration') dref=$dref # calibrate NOEs<br /> peaks calibrate &quot;**&quot; simple # convert calibrated NOEs into distance restraints<br /> write upl $name-in.upl # write initial upper distance limit file<br /> distance modify # remove irrelevant restraints, apply pseudoatom corrections<br /> write upl $name.upl # write upper distance limit file<br /> <br /> end if<br /> synchronize # wait until all parallel processes have arrived here<br /> <br /> # ---- structure calculation ----<br /> <br /> read seq $name.seq # re-read sequence to initialize<br /> read upl $name.upl # read upper distance limits<br /> read aco $name.aco # read angle restraints<br /> seed=5671 # set random number generator seed<br /> calc_all structures=100 command=anneal steps=10000 # calculate conformers<br /> overview $name.ovw structures=20 pdb # write overview file and coordinates<br /> <br /> First several variables are set: The variable '''name''' is used to define the name of various input and output files. The variable '''peaks''' gives the names of the input peak lists, separated by commas without intervening blanks. The variable '''prot''' gives the name(s) of the input chemical shift list(s). If a single name is given as in the example, it specifies that a single chemical shift list file with this name will be used for all peak lists. Alternatively, it is possible to specify a separate chemical shift list for each peak list as a comma-separated list of file names. The variable [[tolerance]] specifies the tolerances for the matching of chemical shifts, and is used only for the consistency check. The calibration constants for the peak lists can be given by the variable '''calibration''' as a comma-separated list of values in the order of the peak list names given by the variable '''peaks'''. If the variable '''calibration''' is not given, the calibration parameters are determined automatically such that the median of the upper distance limits for each peak list equals the value of the variable '''dref'''. The variable '''dref''' can have a single value that applies to all peak lists, or separate values for each peak list. This variable is not used when the calibration constants are given explicitly by the variable '''calibration'''.<br /> <br /> The calibration part, which is executed only by the master process if the program is executed in parallel, starts with a consistency check of the peak lists and the chemical shift list(s) by the [[CYANA Macro: peakcheck|peakcheck]] command, followed by the actual calibration, i.e. the conversion of peak volumes (or intensities) to upper bounds for &lt;sup&gt;1&lt;/sup&gt;H-&lt;sup&gt;1&lt;/sup&gt;H distances.<br /> <br /> [[Image:StructuresDemoManual.png|thumb|200px|'''demo.pdb''']]<br /> Finally, the sequence and the conformational restraints are read and 100 conformers are calculated using the standard [[simulated annealing]] schedule with 10000 [[torsion angle dynamics]] steps per conformer. Finally, the 20 conformers with the lowest final target function values are analyzed. An overview table of these 20 best conformers is saved in the file '''demo.ovw''', and their coordinates are written to the PDB file '''demo.pdb'''.</div>

Donata https://cyana.org/w/index.php?title=Structure_calculation_using_manually_assigned_NOESY_peak_lists&diff=6551 2009-07-15T10:57:20Z

<p>Donata: </p> <hr /> <div>This calculation shows how to calculate a structure from previously assigned NOESY peak lists. The input data are in the subdirectory ‘manual’ of the [[Media:Cyana-3.0-demo.zip|demo data zip archive]]:<br /> <br /> ;demo.seq:amino acid sequence<br /> ;c13.peaks:peak list from 3D &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;n15.peaks:peak list from 3D &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;aro.peaks:peak list from 3D aromatic &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;demo.prot:&lt;sup&gt;1&lt;/sup&gt;H, &lt;sup&gt;13&lt;/sup&gt;C, and &lt;sup&gt;13&lt;/sup&gt;C chemical shift list<br /> ;demo.aco:dihedral angle restraints<br /> ;init.cya:initialization macro<br /> ;CALC.cya:macro for the structure calculation<br /> <br /> <br /> The structure calculation is performed by the commands in the macro file '''CALC.cya''':<br /> <br /> name := demo<br /> peaks := c13,n15,aro # names of peak list(s) <br /> prot := $name # names of proton list(s)<br /> tolerance := 0.040,0.030,0.45 # shift tolerances: H, H', C/N', C/N<br /> calibration:= 6.7E5,8.2E5,8.0E4 # calibration constants, automatic if empty<br /> dref := 4.2 # average distance limit for automatic calibration<br /> <br /> if (master) then # execute the following commands only on master node<br /> <br /> # ---- check consistency of peak and chemical shift lists----<br /> <br /> peakcheck peaks=$peaks prot=$prot # check consistency of peak and shift assignments<br /> <br /> # ---- calibration ----<br /> <br /> calibration prot=$prot peaks=$peaks constant=$val('calibration') dref=$dref # calibrate NOEs<br /> peaks calibrate &quot;**&quot; simple # convert calibrated NOEs into distance restraints<br /> write upl $name-in.upl # write initial upper distance limit file<br /> distance modify # remove irrelevant restraints, apply pseudoatom corrections<br /> write upl $name.upl # write upper distance limit file<br /> <br /> end if<br /> synchronize # wait until all parallel processes have arrived here<br /> <br /> # ---- structure calculation ----<br /> <br /> read seq $name.seq # re-read sequence to initialize<br /> read upl $name.upl # read upper distance limits<br /> read aco $name.aco # read angle restraints<br /> seed=5671 # set random number generator seed<br /> calc_all structures=100 command=anneal steps=10000 # calculate conformers<br /> overview $name.ovw structures=20 pdb # write overview file and coordinates<br /> <br /> First several variables are set: The variable '''name''' is used to define the name of various input and output files. The variable '''peaks''' gives the names of the input peak lists, separated by commas without intervening blanks. The variable '''prot''' gives the name(s) of the input chemical shift list(s). If a single name is given as in the example, it specifies that a single chemical shift list file with this name will be used for all peak lists. Alternatively, it is possible to specify a separate chemical shift list for each peak list as a comma-separated list of file names. The variable [[tolerance]] specifies the tolerances for the matching of chemical shifts, and is used only for the consistency check. The calibration constants for the peak lists can be given by the variable '''calibration''' as a comma-separated list of values in the order of the peak list names given by the variable '''peaks'''. If the variable '''calibration''' is not given, the calibration parameters are determined automatically such that the median of the upper distance limits for each peak list equals the value of the variable '''dref'''. The variable '''dref''' can have a single value that applies to all peak lists, or separate values for each peak list. This variable is not used when the calibration constants are given explicitly by the variable '''calibration'''.<br /> <br /> The calibration part, which is executed only by the master process if the program is executed in parallel, starts with a consistency check of the peak lists and the chemical shift list(s) by the [[CYANA Macro: peakcheck|peakcheck]] command, followed by the actual calibration, i.e. the conversion of peak volumes (or intensities) to upper bounds for &lt;sup&gt;1&lt;/sup&gt;H-&lt;sup&gt;1&lt;/sup&gt;H distances.<br /> <br /> [[Image:StructuresDemoManual.png|thumb|200px|'''demo.pdb''']]<br /> Finally, the sequence and the conformational restraints are read and 100 conformers are calculated using the standard [[simulated annealing]] schedule with 10000 [[torsion angle dynamics]] steps per conformer. Finally, the 20 conformers with the lowest final target function values are analyzed. An overview table of these 20 best conformers is saved in the file '''demo.ovw''', and their coordinates are written to the PDB file '''demo.pdb'''.</div>

Donata https://cyana.org/w/index.php?title=Structure_calculation_with_automated_NOESY_assignment&diff=6550 2009-07-15T10:56:55Z

<p>Donata: </p> <hr /> <div>This calculation shows how to calculate a structure from previously unassigned NOESY peak lists. The input data are in the subdirectory ‘auto’ of the [[Media:Cyana-3.0-demo.zip|demo data zip archive]]:<br /> <br /> ;demo.seq:amino acid sequence<br /> ;c13.peaks:peak list from 3D &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;n15.peaks:peak list from 3D &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;aro.peaks:peak list from 3D aromatic &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;demo.prot:&lt;sup&gt;1&lt;/sup&gt;H, &lt;sup&gt;13&lt;/sup&gt;C, and &lt;sup&gt;15&lt;/sup&gt;N chemical shift list<br /> ;demo.aco:dihedral angle restraints<br /> ;init.cya:initialization macro<br /> ;AUTO.cya:macro for the structure calculation<br /> <br /> <br /> Combined automated NOESY cross peak assignment and structure calculation are performed with the macro file '''AUTO.cya''':<br /> <br /> peaks := c13.peaks,n15.peaks,aro.peaks # NOESY peak lists in XEASY format<br /> #peaks := c13.xpk,n15.xpk,aro.xpk # alternative peak lists in NMRView format<br /> prot := demo.prot # names of chemical shift lists<br /> restraints := demo.aco # additional (non-NOE) restraints<br /> tolerance := 0.040,0.030,0.45 # shift tolerances: H, H', C/N', C/N<br /> #calibration_constant:=6.7E5,8.2E5,8.0E4 # calibration constants, automatic if empty<br /> structures := 100,20 # number of initial, final structures<br /> steps := 10000 # number of torsion angle dynamics steps<br /> randomseed := 434726 # random number generator seed<br /> <br /> noeassign peaks=$peaks prot=$prot autoaco # perform NOESY assignment/structure calculation<br /> <br /> First several variables are set: The variable '''peaks''' gives the names of the input peak lists, separated by commas without intervening blanks. The variable '''prot''' gives the name(s) of the input chemical shift list(s). If a single name is given as in the example, it specifies that a single chemical shift list file with this name will be used for all peak lists. Alternatively, it is possible to specify a separate chemical shift list for each peak list as a comma-separated list of file names. The variable '''restraints''' specifies the names of input files with additional conformational restraints that will be used together with the upper distance bounds that will be derived from the NOESY peaks. If there are several file names, they must be separated by commas without intervening blanks. The variable [[tolerance]] specifies the tolerances for the matching of chemical shifts, and is used only for the consistency check. The calibration constants for the peak lists can be given by the variable '''calibration''' as a comma-separated list of values in the order of the peak list names given by the variable '''peaks'''. If the variable '''calibration''' is not given, the calibration parameters are determined automatically such that the median of the upper distance limits for each peak list equals the value of the variable '''dref'''. The variable '''dref''' can have a single value that applies to all peak lists, or separate values for each peak list. This variable is not used when the calibration constants are given explicitly by the variable '''calibration_constant'''.<br /> <br /> [[Image:StructuresDemoManual.png|thumb|200px|'''demo.pdb''']]<br /> Finally, the sequence and the conformational restraints are read and 100 conformers are calculated using the standard [[simulated annealing]] schedule with 10000 [[torsion angle dynamics]] steps per conformer. Finally, the 20 conformers with the lowest final target function values are analyzed. An overview table of these 20 best conformers is saved in the file '''demo.ovw''', and their coordinates are written to the PDB file '''demo.pdb'''.</div>

Donata https://cyana.org/w/index.php?title=Structure_calculation_using_manually_assigned_NOESY_peak_lists&diff=6546 2009-07-15T08:55:48Z

<p>Donata: </p> <hr /> <div>This calculation shows how to calculate a structure from previously assigned NOESY peak lists. The input data are in the subdirectory ‘manual’ of the [[Media:Cyana-3.0-demo.zip|demo data zip archive]]:<br /> <br /> ;demo.seq:amino acid sequence<br /> ;c13.peaks:peak list from 3D &lt;sup&gt;13&lt;/sup&gt;C-resolved NOESY spectrum<br /> ;n15.peaks:peak list from 3D &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;aro.peaks:peak list from 3D aromatic &lt;sup&gt;15&lt;/sup&gt;N-resolved NOESY spectrum<br /> ;demo.prot:&lt;sup&gt;1&lt;/sup&gt;H, &lt;sup&gt;13&lt;/sup&gt;C, and &lt;sup&gt;15&lt;/sup&gt;N chemical shift list<br /> ;demo.aco:dihedral angle restraints<br /> ;init.cya:initialization macro<br /> ;CALC.cya:macro for the structure calculation<br /> <br /> <br /> The structure calculation is performed by the commands in the macro file '''CALC.cya''':<br /> <br /> name := demo<br /> peaks := c13,n15,aro # names of peak list(s) <br /> prot := $name # names of proton list(s)<br /> tolerance := 0.040,0.030,0.45 # shift tolerances: H, H', C/N', C/N<br /> calibration:= 6.7E5,8.2E5,8.0E4 # calibration constants, automatic if empty<br /> dref := 4.2 # average distance limit for automatic calibration<br /> <br /> if (master) then # execute the following commands only on master node<br /> <br /> # ---- check consistency of peak and chemical shift lists----<br /> <br /> peakcheck peaks=$peaks prot=$prot # check consistency of peak and shift assignments<br /> <br /> # ---- calibration ----<br /> <br /> calibration prot=$prot peaks=$peaks constant=$val('calibration') dref=$dref # calibrate NOEs<br /> peaks calibrate &quot;**&quot; simple # convert calibrated NOEs into distance restraints<br /> write upl $name-in.upl # write initial upper distance limit file<br /> distance modify # remove irrelevant restraints, apply pseudoatom corrections<br /> write upl $name.upl # write upper distance limit file<br /> <br /> end if<br /> synchronize # wait until all parallel processes have arrived here<br /> <br /> # ---- structure calculation ----<br /> <br /> read seq $name.seq # re-read sequence to initialize<br /> read upl $name.upl # read upper distance limits<br /> read aco $name.aco # read angle restraints<br /> seed=5671 # set random number generator seed<br /> calc_all structures=100 command=anneal steps=10000 # calculate conformers<br /> overview $name.ovw structures=20 pdb # write overview file and coordinates<br /> <br /> First several variables are set: The variable '''name''' is used to define the name of various input and output files. The variable '''peaks''' gives the names of the input peak lists, separated by commas without intervening blanks. The variable '''prot''' gives the name(s) of the input chemical shift list(s). If a single name is given as in the example, it specifies that a single chemical shift list file with this name will be used for all peak lists. Alternatively, it is possible to specify a separate chemical shift list for each peak list as a comma-separated list of file names. The variable [[tolerance]] specifies the tolerances for the matching of chemical shifts, and is used only for the consistency check. The calibration constants for the peak lists can be given by the variable '''calibration''' as a comma-separated list of values in the order of the peak list names given by the variable '''peaks'''. If the variable '''calibration''' is not given, the calibration parameters are determined automatically such that the median of the upper distance limits for each peak list equals the value of the variable '''dref'''. The variable '''dref''' can have a single value that applies to all peak lists, or separate values for each peak list. This variable is not used when the calibration constants are given explicitly by the variable '''calibration'''.<br /> <br /> The calibration part, which is executed only by the master process if the program is executed in parallel, starts with a consistency check of the peak lists and the chemical shift list(s) by the [[CYANA Macro: peakcheck|peakcheck]] command, followed by the actual calibration, i.e. the conversion of peak volumes (or intensities) to upper bounds for &lt;sup&gt;1&lt;/sup&gt;H-&lt;sup&gt;1&lt;/sup&gt;H distances.<br /> <br /> [[Image:StructuresDemoManual.png|thumb|200px|'''demo.pdb''']]<br /> Finally, the sequence and the conformational restraints are read and 100 conformers are calculated using the standard [[simulated annealing]] schedule with 10000 [[torsion angle dynamics]] steps per conformer. Finally, the 20 conformers with the lowest final target function values are analyzed. An overview table of these 20 best conformers is saved in the file '''demo.ovw''', and their coordinates are written to the PDB file '''demo.pdb'''.</div>

Donata https://cyana.org/w/index.php?title=Torsion_angle_restraint_file&diff=6540 2009-07-15T08:30:20Z

<p>Donata: </p> <hr /> <div> 6 SER PHI -200.0 -80.0<br /> 6 SER PSI 40.0 220.0<br /> 10 GLN PHI -200.0 -80.0<br /> 10 GLN PSI 40.0 220.0<br /> 11 LYS PHI -200.0 -80.0<br /> 11 LYS PSI 40.0 220.0<br /> 15 GLU PHI -200.0 -80.0<br /> 15 GLU PSI 40.0 220.0<br /> 16 GLN PHI -200.0 -80.0<br /> 16 GLN PSI 40.0 220.0<br /> 18 TRP PHI -200.0 -80.0<br /> 18 TRP PSI 40.0 220.0<br /> 19 TYR PHI -200.0 -80.0<br /> 19 TYR PSI 40.0 220.0<br /> 22 ALA PHI -200.0 -80.0<br /> 22 ALA PSI 40.0 220.0<br /> 23 ILE PHI -200.0 -80.0<br /> 23 ILE PSI 40.0 220.0<br /> 25 ARG PHI -120.0 80.0<br /> 25 ARG PSI -100.0 60.0<br /> 28 VAL PHI -120.0 80.0<br /> 28 VAL PSI -100.0 60.0<br /> 30 GLU PHI -200.0 -80.0<br /> 30 GLU PSI 40.0 220.0<br /> 31 LEU PHI -200.0 -80.0<br /> 31 LEU PSI 40.0 220.0<br /> 32 LEU PHI -200.0 -80.0<br /> 32 LEU PSI 40.0 220.0 <br /> ...<br /> 109 SER PHI -200.0 -80.0<br /> 109 SER PSI 40.0 220.0<br /> 112 SER PHI -200.0 -80.0<br /> 112 SER PSI 40.0 220.0<br /> 113 SER PHI -200.0 -80.0<br /> 113 SER PSI 40.0 220.0<br /> <br /> column 1: residue number<br /> <br /> column 2: amino acid<br /> <br /> column 3: angle identifier<br /> <br /> column 4: the angle's lower limit<br /> <br /> column 5: the angle's upper limit</div>

Donata https://cyana.org/w/index.php?title=Torsion_angle_restraint_file&diff=6539 2009-07-15T08:29:59Z

<p>Donata: </p> <hr /> <div> 6 SER PHI -200.0 -80.0<br /> 6 SER PSI 40.0 220.0<br /> 10 GLN PHI -200.0 -80.0<br /> 10 GLN PSI 40.0 220.0<br /> 11 LYS PHI -200.0 -80.0<br /> 11 LYS PSI 40.0 220.0<br /> 15 GLU PHI -200.0 -80.0<br /> 15 GLU PSI 40.0 220.0<br /> 16 GLN PHI -200.0 -80.0<br /> 16 GLN PSI 40.0 220.0<br /> 18 TRP PHI -200.0 -80.0<br /> 18 TRP PSI 40.0 220.0<br /> 19 TYR PHI -200.0 -80.0<br /> 19 TYR PSI 40.0 220.0<br /> 22 ALA PHI -200.0 -80.0<br /> 22 ALA PSI 40.0 220.0<br /> 23 ILE PHI -200.0 -80.0<br /> 23 ILE PSI 40.0 220.0<br /> 25 ARG PHI -120.0 80.0<br /> 25 ARG PSI -100.0 60.0<br /> 28 VAL PHI -120.0 80.0<br /> 28 VAL PSI -100.0 60.0<br /> 30 GLU PHI -200.0 -80.0<br /> 30 GLU PSI 40.0 220.0<br /> 31 LEU PHI -200.0 -80.0<br /> 31 LEU PSI 40.0 220.0<br /> 32 LEU PHI -200.0 -80.0<br /> 32 LEU PSI 40.0 220.0 <br /> ...<br /> 109 SER PHI -200.0 -80.0<br /> 109 SER PSI 40.0 220.0<br /> 112 SER PHI -200.0 -80.0<br /> 112 SER PSI 40.0 220.0<br /> 113 SER PHI -200.0 -80.0<br /> 113 SER PSI 40.0 220.0<br /> <br /> column 1: residue number<br /> column 2: amino acid<br /> column 3: angle identifier<br /> column 4: the angle's lower limit<br /> column 5: the angle's upper limit</div>

Donata https://cyana.org/w/index.php?title=Torsion_angle_restraint_file&diff=6537 2009-07-15T08:28:34Z

<p>Donata: </p> <hr /> <div> 6 SER PHI -200.0 -80.0<br /> 6 SER PSI 40.0 220.0<br /> 10 GLN PHI -200.0 -80.0<br /> 10 GLN PSI 40.0 220.0<br /> 11 LYS PHI -200.0 -80.0<br /> 11 LYS PSI 40.0 220.0<br /> 15 GLU PHI -200.0 -80.0<br /> 15 GLU PSI 40.0 220.0<br /> 16 GLN PHI -200.0 -80.0<br /> 16 GLN PSI 40.0 220.0<br /> 18 TRP PHI -200.0 -80.0<br /> 18 TRP PSI 40.0 220.0<br /> 19 TYR PHI -200.0 -80.0<br /> 19 TYR PSI 40.0 220.0<br /> 22 ALA PHI -200.0 -80.0<br /> 22 ALA PSI 40.0 220.0<br /> 23 ILE PHI -200.0 -80.0<br /> 23 ILE PSI 40.0 220.0<br /> 25 ARG PHI -120.0 80.0<br /> 25 ARG PSI -100.0 60.0<br /> 28 VAL PHI -120.0 80.0<br /> 28 VAL PSI -100.0 60.0<br /> 30 GLU PHI -200.0 -80.0<br /> 30 GLU PSI 40.0 220.0<br /> 31 LEU PHI -200.0 -80.0<br /> 31 LEU PSI 40.0 220.0<br /> 32 LEU PHI -200.0 -80.0<br /> 32 LEU PSI 40.0 220.0 <br /> ...<br /> 109 SER PHI -200.0 -80.0<br /> 109 SER PSI 40.0 220.0<br /> 112 SER PHI -200.0 -80.0<br /> 112 SER PSI 40.0 220.0<br /> 113 SER PHI -200.0 -80.0<br /> 113 SER PSI 40.0 220.0</div>

Donata https://cyana.org/w/index.php?title=Torsion_angle_restraint_file&diff=6536 2009-07-15T08:28:19Z

<p>Donata: a few lines from a demo file (extension: .aco)</p> <hr /> <div> 6 SER PHI -200.0 -80.0<br /> 6 SER PSI 40.0 220.0<br /> 10 GLN PHI -200.0 -80.0<br /> 10 GLN PSI 40.0 220.0<br /> 11 LYS PHI -200.0 -80.0<br /> 11 LYS PSI 40.0 220.0<br /> 15 GLU PHI -200.0 -80.0<br /> 15 GLU PSI 40.0 220.0<br /> 16 GLN PHI -200.0 -80.0<br /> 16 GLN PSI 40.0 220.0<br /> 18 TRP PHI -200.0 -80.0<br /> 18 TRP PSI 40.0 220.0<br /> 19 TYR PHI -200.0 -80.0<br /> 19 TYR PSI 40.0 220.0<br /> 22 ALA PHI -200.0 -80.0<br /> 22 ALA PSI 40.0 220.0<br /> 23 ILE PHI -200.0 -80.0<br /> 23 ILE PSI 40.0 220.0<br /> 25 ARG PHI -120.0 80.0<br /> 25 ARG PSI -100.0 60.0<br /> 28 VAL PHI -120.0 80.0<br /> 28 VAL PSI -100.0 60.0<br /> 30 GLU PHI -200.0 -80.0<br /> 30 GLU PSI 40.0 220.0<br /> 31 LEU PHI -200.0 -80.0<br /> 31 LEU PSI 40.0 220.0<br /> 32 LEU PHI -200.0 -80.0<br /> 32 LEU PSI 40.0 220.0<br /> <br /> ...<br /> <br /> 109 SER PHI -200.0 -80.0<br /> 109 SER PSI 40.0 220.0<br /> 112 SER PHI -200.0 -80.0<br /> 112 SER PSI 40.0 220.0<br /> 113 SER PHI -200.0 -80.0<br /> 113 SER PSI 40.0 220.0</div>

Donata