REMARK 1 INSULIN FROM RCSB PDB 1MSO, HTTPS://WWW.RCSB.ORG/STRUCTURE/1MSO REMARK 1 FETCHED 2026-10-25 FOR BIOFIDEX; WATER, HYDROGENS, CHAINS BUT A B REMOVED; TURNED TO ITS PRINCIPAL AXES. PDB DATA: CC0. ATOM 1 N GLY A 1 -8.022 5.508 -5.930 1.00 10.71 N ATOM 2 CA GLY A 1 -6.554 5.201 -5.978 1.00 11.99 C ATOM 3 C GLY A 1 -6.266 4.005 -5.108 1.00 9.73 C ATOM 4 O GLY A 1 -7.206 3.328 -4.631 1.00 9.25 O ATOM 10 N ILE A 2 -4.975 3.744 -4.894 1.00 9.38 N ATOM 11 CA ILE A 2 -4.552 2.585 -4.129 1.00 9.42 C ATOM 12 C ILE A 2 -5.051 2.640 -2.715 1.00 7.71 C ATOM 13 O ILE A 2 -5.406 1.600 -2.138 1.00 8.16 O ATOM 14 CB ILE A 2 -3.002 2.443 -4.168 1.00 9.25 C ATOM 15 CG1 ILE A 2 -2.565 1.097 -3.585 1.00 9.04 C ATOM 16 CG2 ILE A 2 -2.320 3.587 -3.442 1.00 9.14 C ATOM 17 CD1 ILE A 2 -2.945 -0.110 -4.444 1.00 8.54 C ATOM 29 N VAL A 3 -5.112 3.818 -2.123 1.00 9.47 N ATOM 30 CA VAL A 3 -5.592 3.903 -0.744 1.00 8.62 C ATOM 31 C VAL A 3 -7.025 3.442 -0.620 1.00 7.76 C ATOM 32 O VAL A 3 -7.388 2.729 0.325 1.00 11.40 O ATOM 33 CB VAL A 3 -5.423 5.339 -0.232 1.00 9.45 C ATOM 34 CG1 VAL A 3 -6.010 5.491 1.152 1.00 11.40 C ATOM 35 CG2 VAL A 3 -3.935 5.708 -0.226 1.00 9.54 C ATOM 45 N GLU A 4 -7.853 3.848 -1.571 1.00 8.54 N ATOM 46 CA GLU A 4 -9.243 3.453 -1.572 1.00 8.33 C ATOM 47 C GLU A 4 -9.433 1.993 -1.988 1.00 8.04 C ATOM 48 O GLU A 4 -10.195 1.272 -1.357 1.00 9.56 O ATOM 49 CB GLU A 4 -10.025 4.417 -2.473 1.00 8.96 C ATOM 50 CG GLU A 4 -9.963 5.890 -2.014 1.00 9.00 C ATOM 51 CD GLU A 4 -8.595 6.553 -2.206 1.00 10.12 C ATOM 52 OE1 GLU A 4 -7.905 6.276 -3.212 1.00 9.39 O ATOM 53 OE2 GLU A 4 -8.255 7.383 -1.318 1.00 9.93 O ATOM 60 N GLN A 5 -8.727 1.535 -3.011 1.00 8.17 N ATOM 61 CA GLN A 5 -8.869 0.155 -3.449 1.00 7.58 C ATOM 62 C GLN A 5 -8.543 -0.856 -2.348 1.00 7.94 C ATOM 63 O GLN A 5 -9.227 -1.851 -2.147 1.00 7.76 O ATOM 64 CB GLN A 5 -7.934 -0.058 -4.630 1.00 10.14 C ATOM 65 CG GLN A 5 -7.964 -1.426 -5.222 1.00 11.17 C ATOM 66 CD GLN A 5 -6.626 -1.834 -5.851 1.00 11.02 C ATOM 67 OE1 GLN A 5 -5.920 -1.007 -6.471 1.00 12.13 O ATOM 68 NE2 GLN A 5 -6.287 -3.098 -5.726 1.00 10.26 N ATOM 77 N CYS A 6 -7.433 -0.631 -1.655 1.00 6.83 N ATOM 78 CA CYS A 6 -7.048 -1.562 -0.616 1.00 6.65 C ATOM 79 C CYS A 6 -8.067 -1.711 0.500 1.00 7.27 C ATOM 80 O CYS A 6 -8.141 -2.737 1.145 1.00 7.06 O ATOM 81 CB CYS A 6 -5.702 -1.134 -0.002 1.00 7.85 C ATOM 82 SG CYS A 6 -4.257 -1.329 -1.075 1.00 6.52 S ATOM 87 N CYS A 7 -8.822 -0.634 0.726 1.00 7.81 N ATOM 88 CA CYS A 7 -9.804 -0.602 1.799 1.00 8.06 C ATOM 89 C CYS A 7 -11.178 -1.058 1.358 1.00 9.23 C ATOM 90 O CYS A 7 -11.837 -1.817 2.080 1.00 10.37 O ATOM 91 CB CYS A 7 -9.849 0.808 2.408 1.00 10.54 C ATOM 92 SG CYS A 7 -10.907 1.000 3.864 1.00 11.55 S ATOM 97 N THR A 8 -11.618 -0.642 0.184 1.00 7.93 N ATOM 98 CA THR A 8 -12.956 -1.043 -0.258 1.00 9.09 C ATOM 99 C THR A 8 -12.975 -2.398 -0.940 1.00 8.59 C ATOM 100 O THR A 8 -14.021 -3.067 -0.944 1.00 9.97 O ATOM 101 CB THR A 8 -13.556 -0.029 -1.219 1.00 10.08 C ATOM 102 OG1 THR A 8 -12.738 0.021 -2.390 1.00 10.45 O ATOM 103 CG2 THR A 8 -13.628 1.327 -0.596 1.00 13.66 C ATOM 111 N SER A 9 -11.848 -2.817 -1.503 1.00 8.92 N ATOM 112 CA SER A 9 -11.739 -4.116 -2.151 1.00 9.43 C ATOM 113 C SER A 9 -10.542 -4.809 -1.486 1.00 9.05 C ATOM 114 O SER A 9 -10.476 -4.905 -0.262 1.00 9.02 O ATOM 115 CB SER A 9 -11.523 -3.889 -3.652 1.00 12.13 C ATOM 116 OG SER A 9 -11.541 -5.079 -4.427 1.00 12.43 O ATOM 122 N ILE A 10 -9.608 -5.325 -2.287 1.00 10.30 N ATOM 123 CA ILE A 10 -8.391 -5.913 -1.749 1.00 9.78 C ATOM 124 C ILE A 10 -7.290 -5.431 -2.693 1.00 8.62 C ATOM 125 O ILE A 10 -7.567 -4.978 -3.785 1.00 9.60 O ATOM 126 CB ILE A 10 -8.397 -7.487 -1.678 1.00 11.33 C ATOM 127 CG1 ILE A 10 -8.632 -8.115 -3.049 1.00 14.15 C ATOM 128 CG2 ILE A 10 -9.475 -7.959 -0.669 1.00 12.85 C ATOM 129 CD1 ILE A 10 -8.647 -9.636 -3.034 1.00 16.04 C ATOM 141 N CYS A 11 -6.050 -5.567 -2.259 1.00 8.16 N ATOM 142 CA CYS A 11 -4.917 -5.191 -3.087 1.00 7.28 C ATOM 143 C CYS A 11 -3.732 -6.099 -2.763 1.00 8.51 C ATOM 144 O CYS A 11 -3.682 -6.731 -1.694 1.00 9.79 O ATOM 145 CB CYS A 11 -4.585 -3.716 -2.873 1.00 8.76 C ATOM 146 SG CYS A 11 -3.997 -3.351 -1.193 1.00 7.37 S ATOM 151 N SER A 12 -2.800 -6.206 -3.709 1.00 7.04 N ATOM 152 CA SER A 12 -1.649 -7.054 -3.522 1.00 8.00 C ATOM 153 C SER A 12 -0.409 -6.257 -3.100 1.00 6.61 C ATOM 154 O SER A 12 -0.343 -5.033 -3.305 1.00 6.58 O ATOM 155 CB SER A 12 -1.335 -7.790 -4.817 1.00 7.12 C ATOM 156 OG SER A 12 -0.854 -6.880 -5.760 1.00 7.47 O ATOM 162 N LEU A 13 0.580 -6.958 -2.562 1.00 6.79 N ATOM 163 CA LEU A 13 1.797 -6.303 -2.188 1.00 6.28 C ATOM 164 C LEU A 13 2.512 -5.799 -3.438 1.00 6.41 C ATOM 165 O LEU A 13 3.280 -4.823 -3.359 1.00 7.28 O ATOM 166 CB LEU A 13 2.727 -7.241 -1.422 1.00 7.94 C ATOM 167 CG LEU A 13 2.175 -7.760 -0.099 1.00 9.96 C ATOM 168 CD1 LEU A 13 3.319 -8.479 0.645 1.00 11.74 C ATOM 169 CD2 LEU A 13 1.631 -6.639 0.751 1.00 9.31 C ATOM 181 N TYR A 14 2.278 -6.447 -4.580 1.00 6.34 N ATOM 182 CA TYR A 14 2.886 -6.029 -5.829 1.00 6.99 C ATOM 183 C TYR A 14 2.265 -4.721 -6.290 1.00 6.86 C ATOM 184 O TYR A 14 2.975 -3.870 -6.842 1.00 7.95 O ATOM 185 CB TYR A 14 2.780 -7.149 -6.865 1.00 7.13 C ATOM 186 CG TYR A 14 3.609 -8.346 -6.481 1.00 9.13 C ATOM 187 CD1 TYR A 14 4.963 -8.397 -6.779 1.00 11.03 C ATOM 188 CD2 TYR A 14 3.067 -9.383 -5.760 1.00 11.18 C ATOM 189 CE1 TYR A 14 5.742 -9.439 -6.366 1.00 12.14 C ATOM 190 CE2 TYR A 14 3.859 -10.434 -5.351 1.00 12.73 C ATOM 191 CZ TYR A 14 5.189 -10.448 -5.659 1.00 12.77 C ATOM 192 OH TYR A 14 5.962 -11.520 -5.253 1.00 15.85 O ATOM 202 N GLN A 15 0.955 -4.525 -6.104 1.00 7.12 N ATOM 203 CA GLN A 15 0.335 -3.237 -6.414 1.00 6.92 C ATOM 204 C GLN A 15 0.915 -2.160 -5.481 1.00 7.26 C ATOM 205 O GLN A 15 1.162 -1.013 -5.917 1.00 9.07 O ATOM 206 CB GLN A 15 -1.198 -3.317 -6.260 1.00 7.31 C ATOM 207 CG GLN A 15 -1.810 -4.140 -7.375 1.00 7.30 C ATOM 208 CD GLN A 15 -3.269 -4.433 -7.116 1.00 7.43 C ATOM 209 OE1 GLN A 15 -3.696 -4.547 -5.952 1.00 8.92 O ATOM 210 NE2 GLN A 15 -4.044 -4.596 -8.169 1.00 9.99 N ATOM 219 N LEU A 16 1.102 -2.494 -4.210 1.00 7.41 N ATOM 220 CA LEU A 16 1.662 -1.525 -3.275 1.00 7.79 C ATOM 221 C LEU A 16 3.056 -1.106 -3.673 1.00 8.35 C ATOM 222 O LEU A 16 3.452 0.057 -3.459 1.00 7.82 O ATOM 223 CB LEU A 16 1.715 -2.089 -1.846 1.00 7.74 C ATOM 224 CG LEU A 16 0.371 -2.368 -1.204 1.00 8.86 C ATOM 225 CD1 LEU A 16 0.572 -2.761 0.245 1.00 10.20 C ATOM 226 CD2 LEU A 16 -0.497 -1.171 -1.313 1.00 10.59 C ATOM 238 N GLU A 17 3.829 -2.032 -4.203 1.00 8.72 N ATOM 239 CA GLU A 17 5.193 -1.717 -4.578 1.00 8.76 C ATOM 240 C GLU A 17 5.310 -0.567 -5.565 1.00 10.25 C ATOM 241 O GLU A 17 6.356 0.098 -5.635 1.00 10.14 O ATOM 242 CB GLU A 17 5.837 -2.990 -5.114 1.00 10.94 C ATOM 243 CG GLU A 17 7.329 -2.912 -5.157 1.00 15.30 C ATOM 244 CD GLU A 17 7.961 -4.166 -5.697 1.00 15.33 C ATOM 245 OE1 GLU A 17 7.298 -4.936 -6.457 1.00 13.97 O ATOM 246 OE2 GLU A 17 9.143 -4.355 -5.352 1.00 18.19 O ATOM 253 N ASN A 18 4.261 -0.296 -6.316 1.00 8.50 N ATOM 254 CA ASN A 18 4.317 0.800 -7.261 1.00 9.84 C ATOM 255 C ASN A 18 4.373 2.155 -6.592 1.00 9.98 C ATOM 256 O ASN A 18 4.645 3.151 -7.261 1.00 11.65 O ATOM 257 CB ASN A 18 3.113 0.731 -8.176 1.00 11.76 C ATOM 258 CG ASN A 18 3.123 -0.517 -9.031 1.00 13.13 C ATOM 259 OD1 ASN A 18 4.193 -0.978 -9.486 1.00 15.18 O ATOM 260 ND2 ASN A 18 1.950 -1.088 -9.247 1.00 13.27 N ATOM 267 N TYR A 19 4.107 2.200 -5.282 1.00 7.69 N ATOM 268 CA TYR A 19 4.162 3.459 -4.528 1.00 7.00 C ATOM 269 C TYR A 19 5.491 3.640 -3.814 1.00 7.36 C ATOM 270 O TYR A 19 5.685 4.641 -3.128 1.00 7.35 O ATOM 271 CB TYR A 19 2.971 3.507 -3.572 1.00 7.41 C ATOM 272 CG TYR A 19 1.732 3.572 -4.423 1.00 10.13 C ATOM 273 CD1 TYR A 19 1.151 2.415 -4.970 1.00 10.13 C ATOM 274 CD2 TYR A 19 1.253 4.800 -4.835 1.00 12.05 C ATOM 275 CE1 TYR A 19 0.136 2.505 -5.912 1.00 13.31 C ATOM 276 CE2 TYR A 19 0.236 4.890 -5.774 1.00 14.50 C ATOM 277 CZ TYR A 19 -0.307 3.735 -6.301 1.00 12.75 C ATOM 278 OH TYR A 19 -1.326 3.822 -7.231 1.00 18.22 O ATOM 288 N CYS A 20 6.406 2.695 -3.965 1.00 7.98 N ATOM 289 CA CYS A 20 7.729 2.882 -3.375 1.00 8.44 C ATOM 290 C CYS A 20 8.495 3.939 -4.188 1.00 10.69 C ATOM 291 O CYS A 20 8.238 4.122 -5.397 1.00 10.32 O ATOM 292 CB CYS A 20 8.555 1.608 -3.427 1.00 10.44 C ATOM 293 SG CYS A 20 7.795 0.158 -2.618 1.00 8.14 S ATOM 298 N ASN A 21 9.412 4.637 -3.527 1.00 8.38 N ATOM 299 CA ASN A 21 10.246 5.622 -4.236 1.00 9.38 C ATOM 300 C ASN A 21 11.322 4.924 -5.065 1.00 17.18 C ATOM 301 O ASN A 21 11.634 3.742 -4.809 1.00 15.27 O ATOM 302 CB ASN A 21 10.938 6.599 -3.284 1.00 18.01 C ATOM 303 CG ASN A 21 9.982 7.359 -2.432 1.00 19.02 C ATOM 304 OD1 ASN A 21 9.059 8.006 -2.924 1.00 20.53 O ATOM 305 ND2 ASN A 21 10.185 7.284 -1.129 1.00 18.76 N ATOM 306 OXT ASN A 21 11.846 5.599 -5.978 1.00 25.34 O TER 313 ASN A 21 ATOM 314 N PHE B 1 2.918 -14.504 -1.778 1.00 14.30 N ATOM 315 CA PHE B 1 2.198 -13.469 -0.980 1.00 12.40 C ATOM 316 C PHE B 1 0.706 -13.552 -1.234 1.00 12.79 C ATOM 317 O PHE B 1 0.255 -14.153 -2.219 1.00 19.29 O ATOM 318 CB PHE B 1 2.725 -12.079 -1.316 1.00 12.60 C ATOM 319 CG PHE B 1 4.207 -11.926 -1.092 1.00 10.68 C ATOM 320 CD1 PHE B 1 4.781 -12.190 0.132 1.00 11.80 C ATOM 321 CD2 PHE B 1 5.016 -11.469 -2.110 1.00 21.42 C ATOM 322 CE1 PHE B 1 6.126 -12.004 0.341 1.00 10.95 C ATOM 323 CE2 PHE B 1 6.371 -11.277 -1.915 1.00 21.47 C ATOM 324 CZ PHE B 1 6.926 -11.551 -0.681 1.00 19.41 C ATOM 336 N VAL B 2 -0.052 -13.000 -0.305 1.00 9.79 N ATOM 337 CA VAL B 2 -1.504 -13.036 -0.393 1.00 11.91 C ATOM 338 C VAL B 2 -2.054 -11.652 -0.566 1.00 8.57 C ATOM 339 O VAL B 2 -1.351 -10.675 -0.309 1.00 8.67 O ATOM 340 CB VAL B 2 -2.121 -13.673 0.877 1.00 13.55 C ATOM 341 CG1 VAL B 2 -1.686 -15.135 0.995 1.00 16.33 C ATOM 342 CG2 VAL B 2 -1.733 -12.898 2.100 1.00 13.86 C ATOM 352 N ASN B 3 -3.294 -11.567 -1.026 1.00 7.86 N ATOM 353 CA ASN B 3 -3.920 -10.273 -1.158 1.00 8.96 C ATOM 354 C ASN B 3 -4.316 -9.765 0.218 1.00 8.28 C ATOM 355 O ASN B 3 -4.500 -10.543 1.161 1.00 9.86 O ATOM 356 CB ASN B 3 -5.096 -10.345 -2.102 1.00 9.60 C ATOM 357 CG ASN B 3 -4.663 -10.642 -3.531 1.00 14.12 C ATOM 358 OD1 ASN B 3 -3.702 -10.050 -4.023 1.00 14.54 O ATOM 359 ND2 ASN B 3 -5.369 -11.546 -4.200 1.00 15.72 N ATOM 366 N GLN B 4 -4.425 -8.458 0.413 0.50 12.14 N ATOM 368 CA GLN B 4 -4.778 -7.955 1.746 0.50 10.90 C ATOM 370 C GLN B 4 -5.798 -6.839 1.653 0.50 10.82 C ATOM 372 O GLN B 4 -5.865 -6.122 0.699 0.50 10.44 O ATOM 374 CB GLN B 4 -3.545 -7.447 2.507 0.50 10.17 C ATOM 376 CG GLN B 4 -2.530 -8.515 2.934 0.50 9.48 C ATOM 378 CD GLN B 4 -2.827 -9.186 4.261 0.50 10.00 C ATOM 380 OE1 GLN B 4 -2.035 -10.013 4.728 0.50 11.60 O ATOM 382 NE2 GLN B 4 -3.947 -8.847 4.882 0.50 11.30 N ATOM 400 N HIS B 5 -6.542 -6.674 2.729 1.00 8.58 N ATOM 401 CA HIS B 5 -7.626 -5.710 2.929 1.00 7.09 C ATOM 402 C HIS B 5 -7.009 -4.749 3.949 1.00 7.53 C ATOM 403 O HIS B 5 -6.835 -5.103 5.113 1.00 8.24 O ATOM 404 CB HIS B 5 -8.821 -6.427 3.513 1.00 8.70 C ATOM 405 CG HIS B 5 -9.995 -5.536 3.702 1.00 8.34 C ATOM 406 ND1 HIS B 5 -11.066 -5.878 4.498 1.00 11.61 N ATOM 407 CD2 HIS B 5 -10.284 -4.321 3.191 1.00 8.00 C ATOM 408 CE1 HIS B 5 -11.964 -4.910 4.471 1.00 13.35 C ATOM 409 NE2 HIS B 5 -11.518 -3.950 3.679 1.00 11.13 N ATOM 418 N LEU B 6 -6.684 -3.544 3.486 1.00 6.85 N ATOM 419 CA LEU B 6 -5.947 -2.584 4.310 1.00 6.80 C ATOM 420 C LEU B 6 -6.597 -1.228 4.303 1.00 6.52 C ATOM 421 O LEU B 6 -6.680 -0.571 3.242 1.00 8.28 O ATOM 422 CB LEU B 6 -4.514 -2.433 3.768 1.00 6.86 C ATOM 423 CG LEU B 6 -3.720 -3.725 3.690 1.00 8.02 C ATOM 424 CD1 LEU B 6 -2.538 -3.534 2.732 1.00 8.94 C ATOM 425 CD2 LEU B 6 -3.255 -4.138 5.076 1.00 9.09 C ATOM 437 N CYS B 7 -7.026 -0.786 5.483 1.00 7.52 N ATOM 438 CA CYS B 7 -7.626 0.511 5.660 1.00 9.08 C ATOM 439 C CYS B 7 -6.818 1.340 6.658 1.00 8.32 C ATOM 440 O CYS B 7 -6.105 0.814 7.506 1.00 9.23 O ATOM 441 CB CYS B 7 -9.045 0.386 6.211 1.00 10.34 C ATOM 442 SG CYS B 7 -10.252 -0.463 5.146 1.00 11.15 S ATOM 447 N GLY B 8 -6.919 2.652 6.519 1.00 9.02 N ATOM 448 CA GLY B 8 -6.271 3.536 7.460 1.00 10.36 C ATOM 449 C GLY B 8 -4.793 3.334 7.614 1.00 9.17 C ATOM 450 O GLY B 8 -4.062 3.157 6.630 1.00 8.50 O ATOM 454 N SER B 9 -4.341 3.351 8.862 1.00 8.74 N ATOM 455 CA SER B 9 -2.938 3.249 9.114 1.00 7.16 C ATOM 456 C SER B 9 -2.396 1.895 8.733 1.00 6.04 C ATOM 457 O SER B 9 -1.191 1.750 8.579 1.00 7.20 O ATOM 458 CB SER B 9 -2.626 3.544 10.583 1.00 8.06 C ATOM 459 OG SER B 9 -3.364 2.700 11.434 1.00 10.68 O ATOM 465 N HIS B 10 -3.247 0.878 8.580 1.00 6.13 N ATOM 466 CA HIS B 10 -2.724 -0.432 8.209 1.00 5.81 C ATOM 467 C HIS B 10 -2.118 -0.399 6.819 1.00 6.96 C ATOM 468 O HIS B 10 -1.192 -1.156 6.527 1.00 6.78 O ATOM 469 CB HIS B 10 -3.843 -1.465 8.298 1.00 6.79 C ATOM 470 CG HIS B 10 -4.418 -1.583 9.678 1.00 5.90 C ATOM 471 ND1 HIS B 10 -3.712 -2.121 10.731 1.00 7.56 N ATOM 472 CD2 HIS B 10 -5.615 -1.198 10.193 1.00 6.14 C ATOM 473 CE1 HIS B 10 -4.464 -2.064 11.827 1.00 7.89 C ATOM 474 NE2 HIS B 10 -5.626 -1.519 11.531 1.00 5.78 N ATOM 482 N LEU B 11 -2.642 0.464 5.950 1.00 5.68 N ATOM 483 CA LEU B 11 -2.056 0.555 4.636 1.00 5.97 C ATOM 484 C LEU B 11 -0.653 1.137 4.699 1.00 5.07 C ATOM 485 O LEU B 11 0.241 0.687 4.000 1.00 5.56 O ATOM 486 CB LEU B 11 -2.921 1.408 3.726 1.00 7.58 C ATOM 487 CG LEU B 11 -2.297 1.576 2.327 1.00 10.59 C ATOM 488 CD1 LEU B 11 -1.931 0.215 1.669 1.00 10.40 C ATOM 489 CD2 LEU B 11 -3.224 2.306 1.490 1.00 11.87 C ATOM 501 N VAL B 12 -0.478 2.127 5.568 0.60 9.46 N ATOM 503 CA VAL B 12 0.811 2.768 5.773 0.60 7.22 C ATOM 505 C VAL B 12 1.851 1.760 6.285 0.60 7.37 C ATOM 507 O VAL B 12 3.000 1.751 5.848 0.60 5.27 O ATOM 509 CB VAL B 12 0.640 3.907 6.773 0.60 7.32 C ATOM 511 CG1 VAL B 12 1.986 4.450 7.164 0.60 7.16 C ATOM 513 CG2 VAL B 12 -0.244 5.006 6.147 0.60 9.45 C ATOM 533 N GLU B 13 1.433 0.911 7.208 1.00 5.83 N ATOM 534 CA GLU B 13 2.305 -0.142 7.727 1.00 6.54 C ATOM 535 C GLU B 13 2.720 -1.090 6.613 1.00 6.14 C ATOM 536 O GLU B 13 3.881 -1.512 6.556 1.00 7.73 O ATOM 537 CB GLU B 13 1.601 -0.946 8.806 1.00 9.22 C ATOM 538 CG GLU B 13 1.377 -0.205 10.113 1.00 10.91 C ATOM 539 CD GLU B 13 2.625 -0.113 10.967 1.00 11.43 C ATOM 540 OE1 GLU B 13 3.579 -0.883 10.736 1.00 14.40 O ATOM 541 OE2 GLU B 13 2.639 0.733 11.907 1.00 12.13 O ATOM 548 N ALA B 14 1.775 -1.460 5.749 1.00 5.53 N ATOM 549 CA ALA B 14 2.105 -2.363 4.642 1.00 5.84 C ATOM 550 C ALA B 14 3.084 -1.711 3.663 1.00 6.04 C ATOM 551 O ALA B 14 4.024 -2.367 3.197 1.00 6.63 O ATOM 552 CB ALA B 14 0.831 -2.787 3.915 1.00 6.51 C ATOM 558 N LEU B 15 2.844 -0.460 3.313 1.00 5.52 N ATOM 559 CA LEU B 15 3.795 0.236 2.431 1.00 5.74 C ATOM 560 C LEU B 15 5.184 0.280 3.043 1.00 5.22 C ATOM 561 O LEU B 15 6.192 0.101 2.359 1.00 6.36 O ATOM 562 CB LEU B 15 3.308 1.663 2.157 1.00 5.68 C ATOM 563 CG LEU B 15 2.153 1.728 1.157 1.00 6.69 C ATOM 564 CD1 LEU B 15 1.446 3.053 1.293 1.00 10.35 C ATOM 565 CD2 LEU B 15 2.659 1.516 -0.269 1.00 8.03 C ATOM 577 N TYR B 16 5.246 0.523 4.333 1.00 5.91 N ATOM 578 CA TYR B 16 6.529 0.582 5.000 1.00 7.03 C ATOM 579 C TYR B 16 7.298 -0.726 4.846 1.00 6.96 C ATOM 580 O TYR B 16 8.502 -0.739 4.536 1.00 7.24 O ATOM 581 CB TYR B 16 6.315 0.929 6.476 1.00 6.85 C ATOM 582 CG TYR B 16 7.591 0.927 7.287 1.00 8.42 C ATOM 583 CD1 TYR B 16 8.483 1.982 7.232 1.00 10.03 C ATOM 584 CD2 TYR B 16 7.932 -0.177 8.032 1.00 12.10 C ATOM 585 CE1 TYR B 16 9.707 1.922 7.883 1.00 14.45 C ATOM 586 CE2 TYR B 16 9.135 -0.240 8.701 1.00 16.39 C ATOM 587 CZ TYR B 16 10.008 0.803 8.615 1.00 11.86 C ATOM 588 OH TYR B 16 11.229 0.733 9.279 1.00 17.57 O ATOM 598 N LEU B 17 6.609 -1.834 5.055 0.60 5.81 N ATOM 600 CA LEU B 17 7.240 -3.136 4.913 0.60 6.47 C ATOM 602 C LEU B 17 7.597 -3.485 3.486 0.60 7.52 C ATOM 604 O LEU B 17 8.679 -4.004 3.231 0.60 9.08 O ATOM 606 CB LEU B 17 6.319 -4.204 5.475 0.60 7.60 C ATOM 608 CG LEU B 17 6.148 -4.151 6.985 0.60 10.23 C ATOM 610 CD1 LEU B 17 5.132 -5.187 7.392 0.60 13.61 C ATOM 612 CD2 LEU B 17 7.477 -4.436 7.684 0.60 11.36 C ATOM 636 N VAL B 18 6.702 -3.223 2.550 1.00 6.31 N ATOM 637 CA VAL B 18 7.002 -3.562 1.189 1.00 6.97 C ATOM 638 C VAL B 18 8.170 -2.765 0.635 1.00 7.55 C ATOM 639 O VAL B 18 9.042 -3.313 -0.062 1.00 9.89 O ATOM 640 CB VAL B 18 5.769 -3.302 0.323 1.00 8.27 C ATOM 641 CG1 VAL B 18 6.143 -3.317 -1.153 1.00 10.26 C ATOM 642 CG2 VAL B 18 4.742 -4.350 0.622 1.00 7.80 C ATOM 652 N CYS B 19 8.215 -1.470 0.940 1.00 7.32 N ATOM 653 CA CYS B 19 9.195 -0.588 0.339 1.00 7.54 C ATOM 654 C CYS B 19 10.530 -0.509 1.036 1.00 9.91 C ATOM 655 O CYS B 19 11.553 -0.205 0.400 1.00 10.27 O ATOM 656 CB CYS B 19 8.600 0.791 0.238 1.00 7.69 C ATOM 657 SG CYS B 19 7.112 0.823 -0.833 1.00 7.11 S ATOM 662 N GLY B 20 10.542 -0.777 2.323 1.00 10.27 N ATOM 663 CA GLY B 20 11.801 -0.718 3.037 1.00 11.25 C ATOM 664 C GLY B 20 12.534 0.599 2.881 1.00 13.02 C ATOM 665 O GLY B 20 11.940 1.682 2.862 1.00 14.36 O ATOM 669 N GLU B 21 13.846 0.498 2.683 1.00 13.90 N ATOM 670 CA GLU B 21 14.679 1.681 2.566 1.00 14.26 C ATOM 671 C GLU B 21 14.367 2.536 1.357 1.00 10.57 C ATOM 672 O GLU B 21 14.821 3.690 1.270 1.00 12.19 O ATOM 673 CB GLU B 21 16.158 1.307 2.581 1.00 17.04 C ATOM 674 CG GLU B 21 16.587 0.462 1.423 1.00 18.30 C ATOM 675 CD GLU B 21 18.086 0.553 1.135 1.00 23.14 C ATOM 676 OE1 GLU B 21 18.746 1.473 1.658 1.00 35.17 O ATOM 677 OE2 GLU B 21 18.601 -0.286 0.365 1.00 19.20 O ATOM 684 N ARG B 22 13.587 2.021 0.423 1.00 9.27 N ATOM 685 CA ARG B 22 13.215 2.816 -0.721 1.00 10.67 C ATOM 686 C ARG B 22 12.273 3.945 -0.290 1.00 11.46 C ATOM 687 O ARG B 22 12.235 5.015 -0.911 1.00 16.51 O ATOM 688 CB ARG B 22 12.460 1.963 -1.731 1.00 11.46 C ATOM 689 CG ARG B 22 13.311 0.874 -2.390 1.00 16.00 C ATOM 690 CD ARG B 22 12.508 0.014 -3.351 1.00 14.46 C ATOM 691 NE ARG B 22 11.645 -0.942 -2.661 1.00 20.65 N ATOM 692 CZ ARG B 22 10.904 -1.852 -3.293 1.00 17.86 C ATOM 693 NH1 ARG B 22 10.911 -1.920 -4.618 1.00 22.22 N ATOM 694 NH2 ARG B 22 10.170 -2.716 -2.607 1.00 23.60 N ATOM 708 N GLY B 23 11.514 3.716 0.768 1.00 8.89 N ATOM 709 CA GLY B 23 10.512 4.693 1.144 1.00 10.94 C ATOM 710 C GLY B 23 9.316 4.622 0.195 1.00 7.28 C ATOM 711 O GLY B 23 9.276 3.796 -0.720 1.00 7.55 O ATOM 715 N PHE B 24 8.344 5.507 0.398 1.00 6.94 N ATOM 716 CA PHE B 24 7.139 5.449 -0.408 1.00 5.92 C ATOM 717 C PHE B 24 6.404 6.764 -0.280 1.00 5.82 C ATOM 718 O PHE B 24 6.712 7.618 0.572 1.00 6.40 O ATOM 719 CB PHE B 24 6.220 4.307 0.124 1.00 6.30 C ATOM 720 CG PHE B 24 5.780 4.456 1.551 1.00 5.54 C ATOM 721 CD1 PHE B 24 4.624 5.127 1.868 1.00 6.55 C ATOM 722 CD2 PHE B 24 6.524 3.892 2.574 1.00 6.33 C ATOM 723 CE1 PHE B 24 4.206 5.228 3.161 1.00 7.18 C ATOM 724 CE2 PHE B 24 6.113 3.995 3.888 1.00 6.65 C ATOM 725 CZ PHE B 24 4.951 4.656 4.183 1.00 7.32 C ATOM 735 N PHE B 25 5.376 6.898 -1.119 1.00 6.13 N ATOM 736 CA PHE B 25 4.455 8.009 -1.064 1.00 7.10 C ATOM 737 C PHE B 25 3.059 7.439 -0.708 1.00 6.51 C ATOM 738 O PHE B 25 2.634 6.397 -1.249 1.00 8.01 O ATOM 739 CB PHE B 25 4.316 8.761 -2.419 1.00 11.42 C ATOM 740 CG PHE B 25 5.314 9.860 -2.643 1.00 22.50 C ATOM 741 CD1 PHE B 25 6.659 9.583 -2.764 1.00 25.45 C ATOM 742 CD2 PHE B 25 4.894 11.182 -2.742 1.00 27.66 C ATOM 743 CE1 PHE B 25 7.580 10.597 -2.981 1.00 17.73 C ATOM 744 CE2 PHE B 25 5.800 12.200 -2.958 1.00 25.22 C ATOM 745 CZ PHE B 25 7.153 11.909 -3.080 1.00 20.14 C ATOM 755 N TYR B 26 2.395 8.129 0.213 1.00 6.44 N ATOM 756 CA TYR B 26 1.033 7.812 0.647 1.00 6.98 C ATOM 757 C TYR B 26 0.150 8.925 0.097 1.00 6.83 C ATOM 758 O TYR B 26 0.236 10.082 0.524 1.00 7.67 O ATOM 759 CB TYR B 26 0.954 7.777 2.152 1.00 6.84 C ATOM 760 CG TYR B 26 -0.441 7.534 2.670 1.00 6.84 C ATOM 761 CD1 TYR B 26 -1.069 6.304 2.488 1.00 10.03 C ATOM 762 CD2 TYR B 26 -1.109 8.526 3.343 1.00 8.01 C ATOM 763 CE1 TYR B 26 -2.338 6.061 2.979 1.00 10.37 C ATOM 764 CE2 TYR B 26 -2.397 8.314 3.828 1.00 8.58 C ATOM 765 CZ TYR B 26 -2.999 7.063 3.638 1.00 10.22 C ATOM 766 OH TYR B 26 -4.295 6.859 4.100 1.00 12.33 O ATOM 776 N THR B 27 -0.737 8.567 -0.844 1.00 7.20 N ATOM 777 CA THR B 27 -1.545 9.573 -1.484 1.00 8.78 C ATOM 778 C THR B 27 -3.007 9.196 -1.627 1.00 8.31 C ATOM 779 O THR B 27 -3.447 8.635 -2.637 1.00 8.72 O ATOM 780 CB THR B 27 -0.961 9.965 -2.855 1.00 11.77 C ATOM 781 OG1 THR B 27 0.400 10.414 -2.649 1.00 16.32 O ATOM 782 CG2 THR B 27 -1.741 11.132 -3.441 1.00 15.12 C ATOM 790 N PRO B 28 -3.768 9.503 -0.602 1.00 8.33 N ATOM 791 CA PRO B 28 -5.200 9.222 -0.623 1.00 8.95 C ATOM 792 C PRO B 28 -5.889 10.184 -1.567 1.00 8.92 C ATOM 793 O PRO B 28 -5.352 11.267 -1.889 1.00 9.49 O ATOM 794 CB PRO B 28 -5.660 9.543 0.797 1.00 11.98 C ATOM 795 CG PRO B 28 -4.432 9.513 1.619 1.00 17.73 C ATOM 796 CD PRO B 28 -3.352 10.011 0.715 1.00 11.20 C ATOM 804 N LYS B 29 -7.097 9.808 -1.989 1.00 9.43 N ATOM 805 CA LYS B 29 -7.929 10.716 -2.785 1.00 11.86 C ATOM 806 C LYS B 29 -8.407 11.806 -1.845 1.00 14.49 C ATOM 807 O LYS B 29 -8.620 11.557 -0.653 1.00 14.19 O ATOM 808 CB LYS B 29 -9.186 10.030 -3.327 1.00 13.26 C ATOM 809 CG LYS B 29 -9.006 9.401 -4.664 1.00 17.04 C ATOM 810 CD LYS B 29 -10.263 8.660 -5.111 1.00 18.70 C ATOM 811 CE LYS B 29 -11.502 9.533 -5.131 1.00 23.54 C ATOM 812 NZ LYS B 29 -11.353 10.809 -5.881 1.00 33.16 N ATOM 826 N THR B 30 -8.605 13.004 -2.379 1.00 15.78 N ATOM 827 CA THR B 30 -9.118 14.103 -1.577 1.00 18.57 C ATOM 828 C THR B 30 -10.534 14.431 -2.070 1.00 17.78 C ATOM 829 O THR B 30 -10.908 13.953 -3.165 1.00 26.24 O ATOM 830 CB THR B 30 -8.221 15.354 -1.693 1.00 20.25 C ATOM 831 OG1 THR B 30 -8.010 15.661 -3.074 1.00 20.42 O ATOM 832 CG2 THR B 30 -6.872 15.108 -1.005 1.00 22.14 C ATOM 833 OXT THR B 30 -11.244 15.171 -1.365 1.00 26.66 O TER 841 THR B 30 TER 1190 ASN C 21 TER 1716 THR D 30 CONECT 82 146 CONECT 92 442 CONECT 146 82 CONECT 293 657 CONECT 442 92 CONECT 657 293 END