USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 MET CE :methyl -173:sc= 0 (180deg=-0.0219) USER MOD Set 1.2: A 74 CYS SG : rot 78:sc= 0.269 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.975 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 140:sc= -0.758 (180deg=-2.72!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 2:sc= 1.3 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -167:sc= -0.216 (180deg=-0.438) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.909) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.05) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc=0.000419 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -134:sc= -0.0782 (180deg=-0.382) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 142:sc= 2.16 USER MOD Single : A 109 THR OG1 : rot -20:sc= 0.733 USER MOD Single : A 110 GLN : amide:sc= 0.321 X(o=0.32,f=-0.14) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -7.029 8.045 -4.207 1.00 0.00 N ATOM 218 CA ILE A 14 -6.559 7.872 -5.581 1.00 0.00 C ATOM 219 C ILE A 14 -7.626 7.096 -6.367 1.00 0.00 C ATOM 220 O ILE A 14 -8.124 7.578 -7.389 1.00 0.00 O ATOM 221 CB ILE A 14 -5.160 7.199 -5.578 1.00 0.00 C ATOM 222 CG1 ILE A 14 -4.085 8.188 -5.069 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.758 6.683 -6.973 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.760 7.520 -4.679 1.00 0.00 C ATOM 0 HA ILE A 14 -6.425 8.830 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.224 6.343 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.892 8.930 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.478 8.724 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.772 6.221 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.486 5.947 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.730 7.516 -7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.058 8.279 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.937 6.798 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.342 7.008 -5.546 1.00 0.00 H new ATOM 236 N GLU A 15 -8.009 5.925 -5.862 1.00 0.00 N ATOM 237 CA GLU A 15 -8.889 4.991 -6.546 1.00 0.00 C ATOM 238 C GLU A 15 -10.276 5.588 -6.806 1.00 0.00 C ATOM 239 O GLU A 15 -10.839 5.341 -7.871 1.00 0.00 O ATOM 240 CB GLU A 15 -8.977 3.711 -5.697 1.00 0.00 C ATOM 241 CG GLU A 15 -9.962 2.680 -6.258 1.00 0.00 C ATOM 242 CD GLU A 15 -9.888 1.350 -5.486 1.00 0.00 C ATOM 243 OE1 GLU A 15 -10.563 1.205 -4.442 1.00 0.00 O ATOM 244 OE2 GLU A 15 -9.172 0.423 -5.930 1.00 0.00 O ATOM 0 H GLU A 15 -7.707 5.596 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.477 4.761 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.987 3.259 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.276 3.975 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.976 3.077 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.744 2.503 -7.311 1.00 0.00 H new ATOM 251 N THR A 16 -10.824 6.368 -5.867 1.00 0.00 N ATOM 252 CA THR A 16 -12.222 6.803 -5.932 1.00 0.00 C ATOM 253 C THR A 16 -12.379 8.280 -6.331 1.00 0.00 C ATOM 254 O THR A 16 -13.509 8.734 -6.521 1.00 0.00 O ATOM 255 CB THR A 16 -12.959 6.452 -4.625 1.00 0.00 C ATOM 256 OG1 THR A 16 -12.403 7.115 -3.510 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.961 4.947 -4.333 1.00 0.00 C ATOM 0 H THR A 16 -10.318 6.711 -5.051 1.00 0.00 H new ATOM 0 HA THR A 16 -12.698 6.247 -6.740 1.00 0.00 H new ATOM 0 HB THR A 16 -13.985 6.787 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.899 6.868 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.494 4.758 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.457 4.419 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.934 4.593 -4.243 1.00 0.00 H new ATOM 265 N GLU A 17 -11.280 9.028 -6.500 1.00 0.00 N ATOM 266 CA GLU A 17 -11.333 10.476 -6.722 1.00 0.00 C ATOM 267 C GLU A 17 -10.390 10.946 -7.837 1.00 0.00 C ATOM 268 O GLU A 17 -10.619 12.024 -8.388 1.00 0.00 O ATOM 269 CB GLU A 17 -11.018 11.197 -5.397 1.00 0.00 C ATOM 270 CG GLU A 17 -11.805 12.498 -5.203 1.00 0.00 C ATOM 271 CD GLU A 17 -11.417 13.185 -3.882 1.00 0.00 C ATOM 272 OE1 GLU A 17 -11.685 12.610 -2.802 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.848 14.300 -3.914 1.00 0.00 O ATOM 0 H GLU A 17 -10.334 8.647 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.339 10.727 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.234 10.524 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.951 11.418 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.612 13.172 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.874 12.285 -5.206 1.00 0.00 H new ATOM 280 N ILE A 18 -9.371 10.159 -8.211 1.00 0.00 N ATOM 281 CA ILE A 18 -8.331 10.598 -9.149 1.00 0.00 C ATOM 282 C ILE A 18 -8.374 9.727 -10.406 1.00 0.00 C ATOM 283 O ILE A 18 -8.461 10.265 -11.508 1.00 0.00 O ATOM 284 CB ILE A 18 -6.941 10.612 -8.462 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.996 11.430 -7.146 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.871 11.166 -9.420 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.646 11.693 -6.470 1.00 0.00 C ATOM 0 H ILE A 18 -9.246 9.205 -7.873 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.522 11.625 -9.460 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.665 9.588 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.470 12.389 -7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.639 10.905 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.902 11.168 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.819 10.539 -10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.133 12.184 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.802 12.272 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.173 10.743 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.001 12.251 -7.149 1.00 0.00 H new ATOM 299 N ILE A 19 -8.387 8.398 -10.264 1.00 0.00 N ATOM 300 CA ILE A 19 -8.351 7.460 -11.392 1.00 0.00 C ATOM 301 C ILE A 19 -9.633 6.615 -11.477 1.00 0.00 C ATOM 302 O ILE A 19 -9.682 5.637 -12.218 1.00 0.00 O ATOM 303 CB ILE A 19 -7.049 6.644 -11.376 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.898 5.900 -10.040 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.847 7.560 -11.683 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.746 4.914 -10.092 1.00 0.00 C ATOM 0 H ILE A 19 -8.423 7.938 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.337 8.027 -12.323 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.085 5.885 -12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.730 6.618 -9.237 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.823 5.372 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.929 6.972 -11.669 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.975 8.011 -12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.786 8.345 -10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.662 4.402 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.928 4.183 -10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.819 5.448 -10.300 1.00 0.00 H new ATOM 318 N VAL A 20 -10.685 7.005 -10.753 1.00 0.00 N ATOM 319 CA VAL A 20 -11.985 6.334 -10.751 1.00 0.00 C ATOM 320 C VAL A 20 -12.571 6.179 -12.166 1.00 0.00 C ATOM 321 O VAL A 20 -13.195 5.160 -12.468 1.00 0.00 O ATOM 322 CB VAL A 20 -12.914 7.082 -9.770 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.308 8.498 -10.224 1.00 0.00 C ATOM 324 CG2 VAL A 20 -14.168 6.273 -9.418 1.00 0.00 C ATOM 0 H VAL A 20 -10.654 7.817 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.871 5.307 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.308 7.199 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.961 8.951 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.411 9.106 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.832 8.442 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.787 6.844 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.735 6.067 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.875 5.332 -8.952 1.00 0.00 H new ATOM 334 N ASP A 21 -12.350 7.164 -13.045 1.00 0.00 N ATOM 335 CA ASP A 21 -12.867 7.164 -14.417 1.00 0.00 C ATOM 336 C ASP A 21 -11.949 6.399 -15.384 1.00 0.00 C ATOM 337 O ASP A 21 -12.351 6.079 -16.504 1.00 0.00 O ATOM 338 CB ASP A 21 -13.024 8.618 -14.883 1.00 0.00 C ATOM 339 CG ASP A 21 -13.636 8.719 -16.292 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.821 8.352 -16.470 1.00 0.00 O ATOM 341 OD2 ASP A 21 -12.959 9.222 -17.217 1.00 0.00 O ATOM 0 H ASP A 21 -11.800 7.993 -12.820 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.830 6.653 -14.421 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.655 9.157 -14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.049 9.106 -14.877 1.00 0.00 H new ATOM 346 N ALA A 22 -10.712 6.111 -14.968 1.00 0.00 N ATOM 347 CA ALA A 22 -9.691 5.506 -15.813 1.00 0.00 C ATOM 348 C ALA A 22 -9.817 3.980 -15.844 1.00 0.00 C ATOM 349 O ALA A 22 -10.498 3.378 -15.008 1.00 0.00 O ATOM 350 CB ALA A 22 -8.309 5.902 -15.285 1.00 0.00 C ATOM 0 H ALA A 22 -10.392 6.297 -14.018 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.825 5.869 -16.832 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.538 5.454 -15.911 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.208 6.987 -15.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.196 5.548 -14.261 1.00 0.00 H new ATOM 356 N GLU A 23 -9.089 3.349 -16.768 1.00 0.00 N ATOM 357 CA GLU A 23 -8.913 1.902 -16.817 1.00 0.00 C ATOM 358 C GLU A 23 -7.529 1.562 -17.377 1.00 0.00 C ATOM 359 O GLU A 23 -6.878 0.670 -16.835 1.00 0.00 O ATOM 360 CB GLU A 23 -10.042 1.252 -17.640 1.00 0.00 C ATOM 361 CG GLU A 23 -10.023 -0.280 -17.534 1.00 0.00 C ATOM 362 CD GLU A 23 -11.214 -0.912 -18.276 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.090 -1.232 -19.481 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.283 -1.123 -17.658 1.00 0.00 O ATOM 0 H GLU A 23 -8.598 3.841 -17.515 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.972 1.496 -15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.005 1.627 -17.294 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.943 1.544 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.090 -0.663 -17.948 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.050 -0.573 -16.485 1.00 0.00 H new ATOM 371 N ASP A 24 -7.020 2.303 -18.368 1.00 0.00 N ATOM 372 CA ASP A 24 -5.737 2.023 -19.031 1.00 0.00 C ATOM 373 C ASP A 24 -4.735 3.144 -18.734 1.00 0.00 C ATOM 374 O ASP A 24 -5.117 4.174 -18.183 1.00 0.00 O ATOM 375 CB ASP A 24 -5.963 1.839 -20.540 1.00 0.00 C ATOM 376 CG ASP A 24 -4.833 1.026 -21.192 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.762 1.599 -21.481 1.00 0.00 O ATOM 378 OD2 ASP A 24 -5.010 -0.194 -21.405 1.00 0.00 O ATOM 0 H ASP A 24 -7.493 3.127 -18.739 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.315 1.097 -18.641 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.915 1.336 -20.706 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.031 2.816 -21.019 1.00 0.00 H new ATOM 383 N LYS A 25 -3.456 2.979 -19.080 1.00 0.00 N ATOM 384 CA LYS A 25 -2.359 3.869 -18.670 1.00 0.00 C ATOM 385 C LYS A 25 -2.620 5.309 -19.061 1.00 0.00 C ATOM 386 O LYS A 25 -2.346 6.227 -18.291 1.00 0.00 O ATOM 387 CB LYS A 25 -1.033 3.456 -19.338 1.00 0.00 C ATOM 388 CG LYS A 25 -0.667 1.980 -19.199 1.00 0.00 C ATOM 389 CD LYS A 25 -0.435 1.584 -17.734 1.00 0.00 C ATOM 390 CE LYS A 25 -0.276 0.075 -17.541 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.029 -0.237 -16.115 1.00 0.00 N ATOM 0 H LYS A 25 -3.144 2.205 -19.667 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.295 3.782 -17.585 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.087 3.702 -20.398 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.228 4.055 -18.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.464 1.367 -19.619 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.233 1.773 -19.778 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.458 2.088 -17.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.272 1.936 -17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.175 -0.439 -17.882 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.551 -0.291 -18.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.077 -1.265 -15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.841 0.239 -15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.831 0.096 -15.543 1.00 0.00 H new ATOM 405 N GLU A 26 -3.132 5.490 -20.275 1.00 0.00 N ATOM 406 CA GLU A 26 -3.310 6.808 -20.840 1.00 0.00 C ATOM 407 C GLU A 26 -4.413 7.524 -20.053 1.00 0.00 C ATOM 408 O GLU A 26 -4.281 8.687 -19.682 1.00 0.00 O ATOM 409 CB GLU A 26 -3.654 6.686 -22.333 1.00 0.00 C ATOM 410 CG GLU A 26 -2.505 6.048 -23.131 1.00 0.00 C ATOM 411 CD GLU A 26 -2.822 5.996 -24.636 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.499 5.046 -25.091 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.380 6.895 -25.388 1.00 0.00 O ATOM 0 H GLU A 26 -3.431 4.729 -20.884 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.394 7.394 -20.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.556 6.086 -22.451 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.874 7.674 -22.738 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.590 6.618 -22.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.321 5.039 -22.762 1.00 0.00 H new ATOM 420 N GLU A 27 -5.480 6.793 -19.725 1.00 0.00 N ATOM 421 CA GLU A 27 -6.602 7.307 -18.954 1.00 0.00 C ATOM 422 C GLU A 27 -6.187 7.543 -17.503 1.00 0.00 C ATOM 423 O GLU A 27 -6.629 8.511 -16.894 1.00 0.00 O ATOM 424 CB GLU A 27 -7.767 6.313 -18.991 1.00 0.00 C ATOM 425 CG GLU A 27 -8.242 5.974 -20.410 1.00 0.00 C ATOM 426 CD GLU A 27 -9.313 4.877 -20.382 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.056 3.825 -19.758 1.00 0.00 O ATOM 428 OE2 GLU A 27 -10.395 5.058 -20.989 1.00 0.00 O ATOM 0 H GLU A 27 -5.586 5.815 -19.993 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.917 8.252 -19.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.465 5.394 -18.489 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.603 6.725 -18.426 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.644 6.868 -20.886 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.395 5.645 -21.012 1.00 0.00 H new ATOM 435 N ARG A 28 -5.334 6.683 -16.936 1.00 0.00 N ATOM 436 CA ARG A 28 -4.823 6.850 -15.574 1.00 0.00 C ATOM 437 C ARG A 28 -4.024 8.149 -15.499 1.00 0.00 C ATOM 438 O ARG A 28 -4.259 8.946 -14.591 1.00 0.00 O ATOM 439 CB ARG A 28 -3.992 5.620 -15.153 1.00 0.00 C ATOM 440 CG ARG A 28 -4.844 4.347 -14.955 1.00 0.00 C ATOM 441 CD ARG A 28 -3.985 3.073 -14.901 1.00 0.00 C ATOM 442 NE ARG A 28 -4.800 1.851 -15.051 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.593 0.667 -14.459 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.515 0.442 -13.717 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.484 -0.302 -14.630 1.00 0.00 N ATOM 0 H ARG A 28 -4.979 5.852 -17.410 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.651 6.920 -14.868 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.233 5.427 -15.911 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.466 5.845 -14.225 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.417 4.436 -14.032 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.563 4.263 -15.770 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.235 3.108 -15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.448 3.037 -13.953 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.607 1.915 -15.672 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.822 1.179 -13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.380 -0.468 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.311 -0.139 -15.205 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.342 -1.210 -14.187 1.00 0.00 H new ATOM 459 N ALA A 29 -3.152 8.412 -16.478 1.00 0.00 N ATOM 460 CA ALA A 29 -2.434 9.674 -16.575 1.00 0.00 C ATOM 461 C ALA A 29 -3.416 10.845 -16.697 1.00 0.00 C ATOM 462 O ALA A 29 -3.243 11.854 -16.017 1.00 0.00 O ATOM 463 CB ALA A 29 -1.471 9.631 -17.765 1.00 0.00 C ATOM 0 H ALA A 29 -2.929 7.752 -17.223 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.853 9.825 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.935 10.578 -17.834 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.757 8.819 -17.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.034 9.465 -18.683 1.00 0.00 H new ATOM 469 N MET A 30 -4.471 10.713 -17.510 1.00 0.00 N ATOM 470 CA MET A 30 -5.501 11.743 -17.614 1.00 0.00 C ATOM 471 C MET A 30 -6.232 11.965 -16.290 1.00 0.00 C ATOM 472 O MET A 30 -6.500 13.112 -15.952 1.00 0.00 O ATOM 473 CB MET A 30 -6.481 11.450 -18.755 1.00 0.00 C ATOM 474 CG MET A 30 -5.851 11.616 -20.144 1.00 0.00 C ATOM 475 SD MET A 30 -5.309 13.293 -20.589 1.00 0.00 S ATOM 476 CE MET A 30 -3.587 13.311 -20.007 1.00 0.00 C ATOM 0 H MET A 30 -4.630 9.900 -18.105 1.00 0.00 H new ATOM 0 HA MET A 30 -4.989 12.675 -17.853 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.856 10.432 -18.652 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.339 12.116 -18.669 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.991 10.950 -20.211 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.573 11.281 -20.889 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.964 13.835 -20.732 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.533 13.822 -19.046 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.230 12.287 -19.894 1.00 0.00 H new ATOM 486 N GLY A 31 -6.500 10.919 -15.508 1.00 0.00 N ATOM 487 CA GLY A 31 -7.120 11.045 -14.197 1.00 0.00 C ATOM 488 C GLY A 31 -6.265 11.913 -13.275 1.00 0.00 C ATOM 489 O GLY A 31 -6.754 12.900 -12.718 1.00 0.00 O ATOM 0 H GLY A 31 -6.290 9.956 -15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.113 11.483 -14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.252 10.057 -13.755 1.00 0.00 H new ATOM 493 N TRP A 32 -4.967 11.601 -13.183 1.00 0.00 N ATOM 494 CA TRP A 32 -4.012 12.413 -12.439 1.00 0.00 C ATOM 495 C TRP A 32 -3.992 13.858 -12.962 1.00 0.00 C ATOM 496 O TRP A 32 -4.073 14.793 -12.164 1.00 0.00 O ATOM 497 CB TRP A 32 -2.618 11.767 -12.498 1.00 0.00 C ATOM 498 CG TRP A 32 -2.412 10.555 -11.629 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.306 9.268 -12.035 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.205 10.517 -10.186 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.044 8.443 -10.959 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.977 9.165 -9.784 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.167 11.506 -9.179 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.735 8.815 -8.447 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.912 11.166 -7.839 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.698 9.826 -7.472 1.00 0.00 C ATOM 0 H TRP A 32 -4.555 10.779 -13.624 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.323 12.456 -11.395 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.413 11.487 -13.531 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.880 12.519 -12.219 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.411 8.934 -13.056 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.917 7.433 -11.024 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.336 12.540 -9.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.579 7.783 -8.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.880 11.940 -7.086 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.505 9.573 -6.440 1.00 0.00 H new ATOM 517 N TYR A 33 -3.938 14.050 -14.285 1.00 0.00 N ATOM 518 CA TYR A 33 -3.860 15.361 -14.912 1.00 0.00 C ATOM 519 C TYR A 33 -5.094 16.198 -14.589 1.00 0.00 C ATOM 520 O TYR A 33 -4.944 17.343 -14.166 1.00 0.00 O ATOM 521 CB TYR A 33 -3.673 15.177 -16.427 1.00 0.00 C ATOM 522 CG TYR A 33 -3.961 16.395 -17.283 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.231 17.585 -17.108 1.00 0.00 C ATOM 524 CD2 TYR A 33 -4.982 16.341 -18.249 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.528 18.718 -17.885 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.300 17.475 -19.014 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.569 18.673 -18.840 1.00 0.00 C ATOM 528 OH TYR A 33 -4.863 19.784 -19.574 1.00 0.00 O ATOM 0 H TYR A 33 -3.948 13.281 -14.955 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.004 15.907 -14.516 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.646 14.862 -16.611 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.319 14.364 -16.757 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.440 17.628 -16.374 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.525 15.421 -18.404 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.959 19.626 -17.752 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.103 17.432 -19.735 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.603 19.586 -20.185 1.00 0.00 H new ATOM 538 N TYR A 34 -6.300 15.643 -14.741 1.00 0.00 N ATOM 539 CA TYR A 34 -7.538 16.368 -14.501 1.00 0.00 C ATOM 540 C TYR A 34 -7.629 16.778 -13.033 1.00 0.00 C ATOM 541 O TYR A 34 -8.009 17.910 -12.737 1.00 0.00 O ATOM 542 CB TYR A 34 -8.751 15.496 -14.869 1.00 0.00 C ATOM 543 CG TYR A 34 -8.895 15.016 -16.309 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.207 15.625 -17.381 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.761 13.936 -16.570 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.399 15.169 -18.699 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.954 13.472 -17.883 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.277 14.092 -18.957 1.00 0.00 C ATOM 549 OH TYR A 34 -9.473 13.636 -20.226 1.00 0.00 O ATOM 0 H TYR A 34 -6.439 14.676 -15.035 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.541 17.261 -15.126 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.733 14.615 -14.227 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.651 16.057 -14.615 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.530 16.444 -17.189 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.282 13.459 -15.753 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.874 15.643 -19.515 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.619 12.642 -18.071 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.109 12.890 -20.211 1.00 0.00 H new ATOM 559 N TYR A 35 -7.270 15.877 -12.114 1.00 0.00 N ATOM 560 CA TYR A 35 -7.359 16.147 -10.688 1.00 0.00 C ATOM 561 C TYR A 35 -6.408 17.277 -10.295 1.00 0.00 C ATOM 562 O TYR A 35 -6.810 18.215 -9.604 1.00 0.00 O ATOM 563 CB TYR A 35 -7.054 14.864 -9.910 1.00 0.00 C ATOM 564 CG TYR A 35 -7.386 14.958 -8.436 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.729 14.865 -8.027 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.369 15.118 -7.475 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.058 14.910 -6.663 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.691 15.165 -6.106 1.00 0.00 C ATOM 569 CZ TYR A 35 -8.039 15.046 -5.693 1.00 0.00 C ATOM 570 OH TYR A 35 -8.346 15.044 -4.367 1.00 0.00 O ATOM 0 H TYR A 35 -6.913 14.949 -12.341 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.370 16.472 -10.441 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.616 14.040 -10.349 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.997 14.624 -10.022 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.510 14.759 -8.765 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.339 15.205 -7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.091 14.841 -6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.910 15.292 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.309 14.904 -4.254 1.00 0.00 H new ATOM 580 N LEU A 36 -5.157 17.226 -10.761 1.00 0.00 N ATOM 581 CA LEU A 36 -4.164 18.248 -10.456 1.00 0.00 C ATOM 582 C LEU A 36 -4.564 19.569 -11.100 1.00 0.00 C ATOM 583 O LEU A 36 -4.518 20.595 -10.429 1.00 0.00 O ATOM 584 CB LEU A 36 -2.768 17.794 -10.919 1.00 0.00 C ATOM 585 CG LEU A 36 -1.922 17.170 -9.790 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.618 16.028 -9.036 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.625 16.630 -10.393 1.00 0.00 C ATOM 0 H LEU A 36 -4.809 16.476 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.121 18.397 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.879 17.068 -11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.234 18.650 -11.333 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.746 17.963 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.954 15.647 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.535 16.400 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.860 15.226 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.016 16.185 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.859 15.874 -11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.074 17.446 -10.861 1.00 0.00 H new ATOM 599 N ASP A 37 -5.013 19.558 -12.355 1.00 0.00 N ATOM 600 CA ASP A 37 -5.471 20.763 -13.040 1.00 0.00 C ATOM 601 C ASP A 37 -6.645 21.423 -12.313 1.00 0.00 C ATOM 602 O ASP A 37 -6.739 22.650 -12.284 1.00 0.00 O ATOM 603 CB ASP A 37 -5.860 20.431 -14.485 1.00 0.00 C ATOM 604 CG ASP A 37 -6.419 21.663 -15.212 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.621 22.527 -15.637 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.654 21.749 -15.404 1.00 0.00 O ATOM 0 H ASP A 37 -5.069 18.713 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.646 21.476 -13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.988 20.055 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.605 19.635 -14.489 1.00 0.00 H new ATOM 611 N ASP A 38 -7.513 20.627 -11.682 1.00 0.00 N ATOM 612 CA ASP A 38 -8.640 21.135 -10.901 1.00 0.00 C ATOM 613 C ASP A 38 -8.221 21.624 -9.507 1.00 0.00 C ATOM 614 O ASP A 38 -8.915 22.450 -8.913 1.00 0.00 O ATOM 615 CB ASP A 38 -9.709 20.043 -10.769 1.00 0.00 C ATOM 616 CG ASP A 38 -10.941 20.541 -9.994 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.685 21.400 -10.521 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.206 20.041 -8.878 1.00 0.00 O ATOM 0 H ASP A 38 -7.452 19.609 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.043 21.996 -11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.014 19.711 -11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.284 19.178 -10.260 1.00 0.00 H new ATOM 623 N THR A 39 -7.089 21.145 -8.984 1.00 0.00 N ATOM 624 CA THR A 39 -6.702 21.367 -7.591 1.00 0.00 C ATOM 625 C THR A 39 -5.664 22.484 -7.443 1.00 0.00 C ATOM 626 O THR A 39 -5.778 23.313 -6.539 1.00 0.00 O ATOM 627 CB THR A 39 -6.169 20.045 -7.010 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.166 19.046 -7.069 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.711 20.211 -5.560 1.00 0.00 C ATOM 0 H THR A 39 -6.416 20.593 -9.516 1.00 0.00 H new ATOM 0 HA THR A 39 -7.582 21.693 -7.037 1.00 0.00 H new ATOM 0 HB THR A 39 -5.311 19.748 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.093 18.560 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.341 19.257 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.914 20.953 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.551 20.541 -4.949 1.00 0.00 H new ATOM 637 N LEU A 40 -4.632 22.481 -8.287 1.00 0.00 N ATOM 638 CA LEU A 40 -3.467 23.345 -8.143 1.00 0.00 C ATOM 639 C LEU A 40 -3.902 24.795 -8.383 1.00 0.00 C ATOM 640 O LEU A 40 -4.494 25.104 -9.418 1.00 0.00 O ATOM 641 CB LEU A 40 -2.383 22.924 -9.152 1.00 0.00 C ATOM 642 CG LEU A 40 -1.783 21.511 -8.960 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.049 21.103 -10.240 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.803 21.375 -7.796 1.00 0.00 C ATOM 0 H LEU A 40 -4.584 21.868 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.050 23.257 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.807 22.983 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.571 23.650 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.631 20.866 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.623 20.108 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.750 21.094 -11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.251 21.816 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.439 20.349 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.038 22.052 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.308 21.627 -6.864 1.00 0.00 H new ATOM 656 N GLU A 41 -3.589 25.696 -7.453 1.00 0.00 N ATOM 657 CA GLU A 41 -4.004 27.100 -7.469 1.00 0.00 C ATOM 658 C GLU A 41 -3.019 27.937 -8.305 1.00 0.00 C ATOM 659 O GLU A 41 -2.536 28.983 -7.866 1.00 0.00 O ATOM 660 CB GLU A 41 -4.149 27.622 -6.023 1.00 0.00 C ATOM 661 CG GLU A 41 -5.287 26.964 -5.226 1.00 0.00 C ATOM 662 CD GLU A 41 -6.676 27.432 -5.701 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.258 26.825 -6.628 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.211 28.416 -5.140 1.00 0.00 O ATOM 0 H GLU A 41 -3.020 25.462 -6.639 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.980 27.191 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.210 27.460 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.317 28.699 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.217 25.881 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.169 27.197 -4.168 1.00 0.00 H new ATOM 671 N PHE A 42 -2.657 27.453 -9.497 1.00 0.00 N ATOM 672 CA PHE A 42 -1.813 28.192 -10.429 1.00 0.00 C ATOM 673 C PHE A 42 -2.524 29.472 -10.925 1.00 0.00 C ATOM 674 O PHE A 42 -3.759 29.530 -10.877 1.00 0.00 O ATOM 675 CB PHE A 42 -1.408 27.274 -11.593 1.00 0.00 C ATOM 676 CG PHE A 42 -2.556 26.670 -12.382 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.269 27.444 -13.321 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.865 25.305 -12.232 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.300 26.863 -14.079 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.898 24.726 -12.987 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.620 25.505 -13.908 1.00 0.00 C ATOM 0 H PHE A 42 -2.944 26.536 -9.839 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.907 28.515 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.779 27.842 -12.278 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.797 26.463 -11.197 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.022 28.486 -13.458 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.305 24.700 -11.534 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.847 27.460 -14.793 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.138 23.681 -12.860 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.419 25.061 -14.483 1.00 0.00 H new ATOM 691 N PRO A 43 -1.802 30.476 -11.467 1.00 0.00 N ATOM 692 CA PRO A 43 -0.346 30.614 -11.468 1.00 0.00 C ATOM 693 C PRO A 43 0.218 30.636 -10.042 1.00 0.00 C ATOM 694 O PRO A 43 -0.406 31.221 -9.153 1.00 0.00 O ATOM 695 CB PRO A 43 -0.056 31.949 -12.175 1.00 0.00 C ATOM 696 CG PRO A 43 -1.295 32.194 -13.028 1.00 0.00 C ATOM 697 CD PRO A 43 -2.409 31.591 -12.178 1.00 0.00 C ATOM 0 HA PRO A 43 0.125 29.770 -11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.100 32.755 -11.457 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.844 31.889 -12.787 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.456 33.256 -13.213 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.220 31.709 -14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.812 32.326 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.238 31.254 -12.801 1.00 0.00 H new ATOM 705 N PHE A 44 1.378 30.013 -9.809 1.00 0.00 N ATOM 706 CA PHE A 44 2.034 30.044 -8.500 1.00 0.00 C ATOM 707 C PHE A 44 3.549 30.084 -8.681 1.00 0.00 C ATOM 708 O PHE A 44 4.056 29.735 -9.743 1.00 0.00 O ATOM 709 CB PHE A 44 1.571 28.874 -7.607 1.00 0.00 C ATOM 710 CG PHE A 44 1.927 27.452 -8.026 1.00 0.00 C ATOM 711 CD1 PHE A 44 3.253 26.995 -7.913 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.930 26.544 -8.433 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.592 25.668 -8.216 1.00 0.00 C ATOM 714 CE2 PHE A 44 1.265 25.210 -8.736 1.00 0.00 C ATOM 715 CZ PHE A 44 2.595 24.768 -8.626 1.00 0.00 C ATOM 0 H PHE A 44 1.883 29.478 -10.515 1.00 0.00 H new ATOM 0 HA PHE A 44 1.739 30.953 -7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.979 29.037 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.486 28.932 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.023 27.678 -7.587 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.096 26.872 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.617 25.339 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.496 24.522 -9.055 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.848 23.743 -8.855 1.00 0.00 H new ATOM 725 N MET A 45 4.292 30.505 -7.660 1.00 0.00 N ATOM 726 CA MET A 45 5.749 30.566 -7.728 1.00 0.00 C ATOM 727 C MET A 45 6.327 29.225 -7.277 1.00 0.00 C ATOM 728 O MET A 45 5.800 28.611 -6.349 1.00 0.00 O ATOM 729 CB MET A 45 6.222 31.703 -6.810 1.00 0.00 C ATOM 730 CG MET A 45 7.742 31.868 -6.803 1.00 0.00 C ATOM 731 SD MET A 45 8.332 33.147 -5.667 1.00 0.00 S ATOM 732 CE MET A 45 10.099 32.976 -6.002 1.00 0.00 C ATOM 0 H MET A 45 3.904 30.811 -6.768 1.00 0.00 H new ATOM 0 HA MET A 45 6.087 30.760 -8.746 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.762 32.638 -7.131 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.878 31.510 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.200 30.916 -6.534 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.077 32.109 -7.812 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.667 33.511 -5.241 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.372 31.921 -5.984 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.325 33.392 -6.984 1.00 0.00 H new ATOM 742 N GLY A 46 7.440 28.785 -7.861 1.00 0.00 N ATOM 743 CA GLY A 46 8.130 27.594 -7.412 1.00 0.00 C ATOM 744 C GLY A 46 9.599 27.631 -7.790 1.00 0.00 C ATOM 745 O GLY A 46 10.059 28.506 -8.525 1.00 0.00 O ATOM 0 H GLY A 46 7.882 29.248 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.033 27.501 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.662 26.713 -7.851 1.00 0.00 H new ATOM 749 N LYS A 47 10.347 26.670 -7.264 1.00 0.00 N ATOM 750 CA LYS A 47 11.713 26.421 -7.691 1.00 0.00 C ATOM 751 C LYS A 47 11.656 25.242 -8.651 1.00 0.00 C ATOM 752 O LYS A 47 11.148 24.180 -8.286 1.00 0.00 O ATOM 753 CB LYS A 47 12.608 26.097 -6.476 1.00 0.00 C ATOM 754 CG LYS A 47 14.107 26.239 -6.794 1.00 0.00 C ATOM 755 CD LYS A 47 14.585 27.702 -6.848 1.00 0.00 C ATOM 756 CE LYS A 47 14.632 28.352 -5.456 1.00 0.00 C ATOM 757 NZ LYS A 47 15.314 29.670 -5.478 1.00 0.00 N ATOM 0 H LYS A 47 10.021 26.042 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 47 12.142 27.298 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.350 26.762 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.406 25.080 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.683 25.704 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.315 25.761 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.577 27.741 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.919 28.276 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.617 28.476 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.150 27.688 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.975 30.250 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.341 29.531 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.105 30.154 -6.374 1.00 0.00 H new ATOM 771 N TRP A 48 12.136 25.420 -9.877 1.00 0.00 N ATOM 772 CA TRP A 48 12.353 24.317 -10.789 1.00 0.00 C ATOM 773 C TRP A 48 13.694 23.764 -10.323 1.00 0.00 C ATOM 774 O TRP A 48 14.730 24.417 -10.461 1.00 0.00 O ATOM 775 CB TRP A 48 12.375 24.797 -12.251 1.00 0.00 C ATOM 776 CG TRP A 48 12.529 23.747 -13.318 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.681 22.419 -13.123 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.541 23.917 -14.771 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.797 21.761 -14.326 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.722 22.639 -15.385 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.401 25.026 -15.635 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.773 22.475 -16.778 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.433 24.871 -17.035 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.623 23.600 -17.606 1.00 0.00 C ATOM 0 H TRP A 48 12.383 26.332 -10.260 1.00 0.00 H new ATOM 0 HA TRP A 48 11.565 23.564 -10.774 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.449 25.340 -12.442 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.191 25.511 -12.360 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.708 21.939 -12.156 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.922 20.753 -14.421 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.267 26.012 -15.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.926 21.496 -17.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.311 25.733 -17.673 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.654 23.489 -18.680 1.00 0.00 H new ATOM 795 N LYS A 49 13.679 22.594 -9.694 1.00 0.00 N ATOM 796 CA LYS A 49 14.877 21.903 -9.233 1.00 0.00 C ATOM 797 C LYS A 49 15.299 21.017 -10.399 1.00 0.00 C ATOM 798 O LYS A 49 15.185 19.794 -10.343 1.00 0.00 O ATOM 799 CB LYS A 49 14.543 21.130 -7.946 1.00 0.00 C ATOM 800 CG LYS A 49 14.314 22.101 -6.775 1.00 0.00 C ATOM 801 CD LYS A 49 13.629 21.427 -5.584 1.00 0.00 C ATOM 802 CE LYS A 49 14.518 20.420 -4.846 1.00 0.00 C ATOM 803 NZ LYS A 49 13.763 19.710 -3.785 1.00 0.00 N ATOM 0 H LYS A 49 12.817 22.090 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 49 15.702 22.564 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.651 20.522 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.357 20.446 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.271 22.512 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.705 22.939 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.305 22.195 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.732 20.917 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.919 19.697 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.369 20.938 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.413 19.436 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.026 20.337 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.320 18.858 -4.185 1.00 0.00 H new ATOM 817 N LYS A 50 15.666 21.667 -11.503 1.00 0.00 N ATOM 818 CA LYS A 50 15.895 21.019 -12.781 1.00 0.00 C ATOM 819 C LYS A 50 16.973 19.954 -12.625 1.00 0.00 C ATOM 820 O LYS A 50 18.028 20.261 -12.071 1.00 0.00 O ATOM 821 CB LYS A 50 16.277 22.093 -13.805 1.00 0.00 C ATOM 822 CG LYS A 50 16.419 21.507 -15.211 1.00 0.00 C ATOM 823 CD LYS A 50 17.090 22.509 -16.154 1.00 0.00 C ATOM 824 CE LYS A 50 17.671 21.799 -17.383 1.00 0.00 C ATOM 825 NZ LYS A 50 18.873 20.985 -17.053 1.00 0.00 N ATOM 0 H LYS A 50 15.813 22.676 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 50 14.996 20.515 -13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.519 22.876 -13.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.216 22.561 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.007 20.590 -15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.436 21.238 -15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.365 23.258 -16.471 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.883 23.037 -15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.909 21.155 -17.821 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.934 22.541 -18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.429 20.821 -17.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.456 21.493 -16.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.575 20.072 -16.655 1.00 0.00 H new ATOM 957 N ILE A 58 21.181 19.061 -9.074 1.00 0.00 N ATOM 958 CA ILE A 58 19.995 19.867 -9.344 1.00 0.00 C ATOM 959 C ILE A 58 20.483 21.274 -9.705 1.00 0.00 C ATOM 960 O ILE A 58 21.283 21.875 -8.984 1.00 0.00 O ATOM 961 CB ILE A 58 19.046 19.818 -8.111 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.999 18.687 -8.193 1.00 0.00 C ATOM 963 CG2 ILE A 58 18.250 21.116 -7.873 1.00 0.00 C ATOM 964 CD1 ILE A 58 18.516 17.302 -8.583 1.00 0.00 C ATOM 0 HA ILE A 58 19.407 19.490 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 58 19.742 19.650 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 58 17.508 18.607 -7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.236 18.981 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.614 20.997 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.942 21.942 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.630 21.328 -8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.685 16.597 -8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.978 17.350 -9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.254 16.970 -7.853 1.00 0.00 H new ATOM 976 N GLU A 59 19.997 21.784 -10.833 1.00 0.00 N ATOM 977 CA GLU A 59 20.137 23.167 -11.261 1.00 0.00 C ATOM 978 C GLU A 59 18.890 23.873 -10.716 1.00 0.00 C ATOM 979 O GLU A 59 17.804 23.752 -11.285 1.00 0.00 O ATOM 980 CB GLU A 59 20.197 23.265 -12.800 1.00 0.00 C ATOM 981 CG GLU A 59 21.564 22.908 -13.396 1.00 0.00 C ATOM 982 CD GLU A 59 21.546 22.978 -14.935 1.00 0.00 C ATOM 983 OE1 GLU A 59 20.955 22.080 -15.582 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.133 23.928 -15.503 1.00 0.00 O ATOM 0 H GLU A 59 19.473 21.218 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 59 21.058 23.619 -10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.443 22.603 -13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.936 24.280 -13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.320 23.591 -13.009 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.849 21.904 -13.080 1.00 0.00 H new ATOM 991 N GLU A 60 19.005 24.554 -9.576 1.00 0.00 N ATOM 992 CA GLU A 60 17.904 25.354 -9.047 1.00 0.00 C ATOM 993 C GLU A 60 17.663 26.548 -9.978 1.00 0.00 C ATOM 994 O GLU A 60 18.603 27.279 -10.309 1.00 0.00 O ATOM 995 CB GLU A 60 18.234 25.854 -7.630 1.00 0.00 C ATOM 996 CG GLU A 60 18.147 24.742 -6.581 1.00 0.00 C ATOM 997 CD GLU A 60 18.383 25.288 -5.162 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.421 25.764 -4.518 1.00 0.00 O ATOM 999 OE2 GLU A 60 19.534 25.235 -4.668 1.00 0.00 O ATOM 0 H GLU A 60 19.849 24.567 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 60 17.006 24.739 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.238 26.278 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.547 26.656 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.167 24.268 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.885 23.972 -6.803 1.00 0.00 H new ATOM 1006 N LYS A 61 16.404 26.784 -10.358 1.00 0.00 N ATOM 1007 CA LYS A 61 15.971 27.953 -11.121 1.00 0.00 C ATOM 1008 C LYS A 61 14.673 28.432 -10.483 1.00 0.00 C ATOM 1009 O LYS A 61 13.820 27.608 -10.157 1.00 0.00 O ATOM 1010 CB LYS A 61 15.774 27.525 -12.586 1.00 0.00 C ATOM 1011 CG LYS A 61 15.431 28.689 -13.532 1.00 0.00 C ATOM 1012 CD LYS A 61 14.979 28.213 -14.924 1.00 0.00 C ATOM 1013 CE LYS A 61 15.996 27.271 -15.593 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.612 26.922 -16.986 1.00 0.00 N ATOM 0 H LYS A 61 15.638 26.148 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 61 16.698 28.765 -11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.684 27.039 -12.938 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.977 26.783 -12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.641 29.293 -13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.304 29.333 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.021 27.701 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.818 29.080 -15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.978 27.744 -15.597 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.085 26.358 -15.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.367 26.356 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.729 26.372 -16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.470 27.793 -17.536 1.00 0.00 H new ATOM 1028 N THR A 62 14.504 29.733 -10.276 1.00 0.00 N ATOM 1029 CA THR A 62 13.313 30.271 -9.626 1.00 0.00 C ATOM 1030 C THR A 62 12.323 30.646 -10.728 1.00 0.00 C ATOM 1031 O THR A 62 12.685 31.377 -11.652 1.00 0.00 O ATOM 1032 CB THR A 62 13.725 31.444 -8.727 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.815 31.057 -7.906 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.597 31.847 -7.786 1.00 0.00 C ATOM 0 H THR A 62 15.184 30.442 -10.552 1.00 0.00 H new ATOM 0 HA THR A 62 12.822 29.550 -8.973 1.00 0.00 H new ATOM 0 HB THR A 62 13.984 32.275 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.077 31.809 -7.334 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.923 32.680 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.727 32.148 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.333 31.001 -7.151 1.00 0.00 H new ATOM 1042 N VAL A 63 11.087 30.145 -10.663 1.00 0.00 N ATOM 1043 CA VAL A 63 10.140 30.252 -11.763 1.00 0.00 C ATOM 1044 C VAL A 63 8.739 30.570 -11.246 1.00 0.00 C ATOM 1045 O VAL A 63 8.383 30.286 -10.102 1.00 0.00 O ATOM 1046 CB VAL A 63 10.138 28.957 -12.616 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.513 28.634 -13.221 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.661 27.713 -11.849 1.00 0.00 C ATOM 0 H VAL A 63 10.720 29.656 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 63 10.455 31.076 -12.403 1.00 0.00 H new ATOM 0 HB VAL A 63 9.427 29.181 -13.411 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.447 27.717 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.829 29.454 -13.866 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.241 28.501 -12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.686 26.846 -12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.316 27.538 -10.996 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.642 27.871 -11.497 1.00 0.00 H new ATOM 1058 N GLU A 64 7.932 31.157 -12.115 1.00 0.00 N ATOM 1059 CA GLU A 64 6.507 31.345 -11.919 1.00 0.00 C ATOM 1060 C GLU A 64 5.851 30.316 -12.835 1.00 0.00 C ATOM 1061 O GLU A 64 6.078 30.343 -14.045 1.00 0.00 O ATOM 1062 CB GLU A 64 6.111 32.792 -12.256 1.00 0.00 C ATOM 1063 CG GLU A 64 4.619 33.033 -11.987 1.00 0.00 C ATOM 1064 CD GLU A 64 4.249 34.518 -12.146 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.992 34.973 -13.283 1.00 0.00 O ATOM 1066 OE2 GLU A 64 4.196 35.246 -11.128 1.00 0.00 O ATOM 0 H GLU A 64 8.264 31.527 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 64 6.188 31.197 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.707 33.484 -11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.333 32.999 -13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.023 32.433 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.372 32.702 -10.978 1.00 0.00 H new ATOM 1073 N VAL A 65 5.109 29.367 -12.270 1.00 0.00 N ATOM 1074 CA VAL A 65 4.314 28.428 -13.054 1.00 0.00 C ATOM 1075 C VAL A 65 3.049 29.158 -13.500 1.00 0.00 C ATOM 1076 O VAL A 65 2.450 29.885 -12.705 1.00 0.00 O ATOM 1077 CB VAL A 65 4.025 27.099 -12.310 1.00 0.00 C ATOM 1078 CG1 VAL A 65 5.193 26.641 -11.415 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.718 27.038 -11.513 1.00 0.00 C ATOM 0 H VAL A 65 5.042 29.228 -11.262 1.00 0.00 H new ATOM 0 HA VAL A 65 4.881 28.109 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 65 3.903 26.403 -13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.929 25.706 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.083 26.490 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.395 27.403 -10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.627 26.061 -11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.722 27.815 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.874 27.195 -12.185 1.00 0.00 H new ATOM 1089 N LEU A 66 2.625 28.953 -14.746 1.00 0.00 N ATOM 1090 CA LEU A 66 1.454 29.621 -15.309 1.00 0.00 C ATOM 1091 C LEU A 66 0.233 28.702 -15.281 1.00 0.00 C ATOM 1092 O LEU A 66 -0.895 29.193 -15.278 1.00 0.00 O ATOM 1093 CB LEU A 66 1.717 30.082 -16.758 1.00 0.00 C ATOM 1094 CG LEU A 66 2.853 31.102 -16.995 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.889 32.220 -15.946 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.232 30.439 -17.082 1.00 0.00 C ATOM 0 H LEU A 66 3.086 28.316 -15.396 1.00 0.00 H new ATOM 0 HA LEU A 66 1.254 30.497 -14.692 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.931 29.197 -17.357 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.794 30.513 -17.145 1.00 0.00 H new ATOM 0 HG LEU A 66 2.621 31.552 -17.960 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.709 32.902 -16.170 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.946 32.767 -15.965 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.037 31.786 -14.957 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.993 31.202 -17.249 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.443 29.914 -16.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.243 29.729 -17.909 1.00 0.00 H new ATOM 1108 N GLY A 67 0.436 27.383 -15.255 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.620 26.395 -15.317 1.00 0.00 C ATOM 1110 C GLY A 67 -0.032 25.051 -15.707 1.00 0.00 C ATOM 1111 O GLY A 67 1.153 24.950 -16.031 1.00 0.00 O ATOM 0 H GLY A 67 1.367 26.972 -15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.119 26.319 -14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.375 26.698 -16.043 1.00 0.00 H new ATOM 1115 N MET A 68 -0.864 24.015 -15.671 1.00 0.00 N ATOM 1116 CA MET A 68 -0.510 22.709 -16.217 1.00 0.00 C ATOM 1117 C MET A 68 -0.265 22.841 -17.723 1.00 0.00 C ATOM 1118 O MET A 68 -0.899 23.656 -18.401 1.00 0.00 O ATOM 1119 CB MET A 68 -1.615 21.676 -15.942 1.00 0.00 C ATOM 1120 CG MET A 68 -1.800 21.344 -14.454 1.00 0.00 C ATOM 1121 SD MET A 68 -0.463 20.386 -13.681 1.00 0.00 S ATOM 1122 CE MET A 68 -0.771 18.746 -14.394 1.00 0.00 C ATOM 0 H MET A 68 -1.799 24.056 -15.264 1.00 0.00 H new ATOM 0 HA MET A 68 0.399 22.358 -15.729 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.557 22.052 -16.340 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.384 20.758 -16.483 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.915 22.279 -13.905 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.731 20.790 -14.339 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.112 18.015 -13.924 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.809 18.463 -14.220 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.577 18.773 -15.466 1.00 0.00 H new ATOM 1132 N ALA A 69 0.650 22.023 -18.242 1.00 0.00 N ATOM 1133 CA ALA A 69 0.886 21.884 -19.674 1.00 0.00 C ATOM 1134 C ALA A 69 -0.334 21.230 -20.359 1.00 0.00 C ATOM 1135 O ALA A 69 -1.214 20.714 -19.663 1.00 0.00 O ATOM 1136 CB ALA A 69 2.147 21.039 -19.873 1.00 0.00 C ATOM 0 H ALA A 69 1.254 21.432 -17.671 1.00 0.00 H new ATOM 0 HA ALA A 69 1.029 22.864 -20.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.342 20.922 -20.939 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.995 21.534 -19.401 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.002 20.058 -19.421 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.399 21.218 -21.705 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.425 20.493 -22.446 1.00 0.00 C ATOM 1144 C PRO A 70 -1.539 19.019 -22.039 1.00 0.00 C ATOM 1145 O PRO A 70 -0.564 18.384 -21.621 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.040 20.623 -23.924 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.261 21.934 -23.968 1.00 0.00 C ATOM 1148 CD PRO A 70 0.476 21.925 -22.631 1.00 0.00 C ATOM 0 HA PRO A 70 -2.407 20.916 -22.233 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.432 19.782 -24.257 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.919 20.655 -24.568 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.429 21.968 -24.811 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.922 22.796 -24.061 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.440 21.424 -22.719 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.674 22.940 -22.286 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.721 18.447 -22.268 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.990 17.025 -22.062 1.00 0.00 C ATOM 1158 C ASP A 71 -2.054 16.142 -22.891 1.00 0.00 C ATOM 1159 O ASP A 71 -1.720 15.041 -22.463 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.452 16.687 -22.388 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.720 16.519 -23.895 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.772 17.542 -24.614 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -4.918 15.376 -24.360 1.00 0.00 O ATOM 0 H ASP A 71 -3.530 18.967 -22.607 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.806 16.818 -21.008 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.728 15.767 -21.873 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.095 17.476 -21.998 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.590 16.631 -24.045 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.689 15.890 -24.925 1.00 0.00 C ATOM 1170 C ASP A 72 0.671 15.644 -24.264 1.00 0.00 C ATOM 1171 O ASP A 72 1.309 14.622 -24.520 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.502 16.644 -26.245 1.00 0.00 C ATOM 1173 CG ASP A 72 0.403 15.857 -27.209 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.032 14.805 -27.728 1.00 0.00 O ATOM 1175 OD2 ASP A 72 1.533 16.311 -27.494 1.00 0.00 O ATOM 0 H ASP A 72 -1.832 17.558 -24.395 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.144 14.920 -25.124 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.473 16.815 -26.710 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.065 17.623 -26.049 1.00 0.00 H new ATOM 1180 N GLU A 73 1.097 16.551 -23.379 1.00 0.00 N ATOM 1181 CA GLU A 73 2.274 16.347 -22.543 1.00 0.00 C ATOM 1182 C GLU A 73 1.885 15.454 -21.364 1.00 0.00 C ATOM 1183 O GLU A 73 2.556 14.461 -21.075 1.00 0.00 O ATOM 1184 CB GLU A 73 2.813 17.693 -22.017 1.00 0.00 C ATOM 1185 CG GLU A 73 3.183 18.714 -23.106 1.00 0.00 C ATOM 1186 CD GLU A 73 4.231 18.200 -24.114 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.237 17.574 -23.709 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.083 18.464 -25.329 1.00 0.00 O ATOM 0 H GLU A 73 0.632 17.446 -23.226 1.00 0.00 H new ATOM 0 HA GLU A 73 3.058 15.875 -23.136 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.063 18.137 -21.363 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.695 17.500 -21.406 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.280 18.996 -23.648 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.564 19.617 -22.629 1.00 0.00 H new ATOM 1195 N CYS A 74 0.761 15.765 -20.709 1.00 0.00 N ATOM 1196 CA CYS A 74 0.362 15.160 -19.441 1.00 0.00 C ATOM 1197 C CYS A 74 -0.096 13.690 -19.533 1.00 0.00 C ATOM 1198 O CYS A 74 -0.677 13.162 -18.585 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.655 16.056 -18.727 1.00 0.00 C ATOM 1200 SG CYS A 74 0.056 17.711 -18.469 1.00 0.00 S ATOM 0 H CYS A 74 0.095 16.456 -21.054 1.00 0.00 H new ATOM 0 HA CYS A 74 1.265 15.099 -18.834 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.567 16.130 -19.319 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.932 15.616 -17.769 1.00 0.00 H new ATOM 0 HG CYS A 74 0.007 18.382 -19.581 1.00 0.00 H new ATOM 1206 N LEU A 75 0.160 13.017 -20.657 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.020 11.578 -20.844 1.00 0.00 C ATOM 1208 C LEU A 75 1.207 10.783 -20.370 1.00 0.00 C ATOM 1209 O LEU A 75 1.139 9.555 -20.308 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.268 11.296 -22.341 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.720 11.570 -22.777 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.800 11.725 -24.299 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.659 10.440 -22.336 1.00 0.00 C ATOM 0 H LEU A 75 0.513 13.480 -21.495 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.873 11.259 -20.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.406 11.912 -22.937 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.021 10.256 -22.554 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.036 12.495 -22.296 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.832 11.918 -24.591 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.172 12.558 -24.613 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.453 10.809 -24.777 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.675 10.665 -22.659 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.334 9.501 -22.785 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.635 10.350 -21.250 1.00 0.00 H new ATOM 1225 N LYS A 76 2.325 11.450 -20.051 1.00 0.00 N ATOM 1226 CA LYS A 76 3.621 10.801 -19.796 1.00 0.00 C ATOM 1227 C LYS A 76 4.136 11.078 -18.387 1.00 0.00 C ATOM 1228 O LYS A 76 4.690 10.190 -17.740 1.00 0.00 O ATOM 1229 CB LYS A 76 4.651 11.271 -20.840 1.00 0.00 C ATOM 1230 CG LYS A 76 4.287 10.953 -22.301 1.00 0.00 C ATOM 1231 CD LYS A 76 4.199 9.448 -22.597 1.00 0.00 C ATOM 1232 CE LYS A 76 3.943 9.224 -24.094 1.00 0.00 C ATOM 1233 NZ LYS A 76 3.873 7.783 -24.444 1.00 0.00 N ATOM 0 H LYS A 76 2.356 12.466 -19.962 1.00 0.00 H new ATOM 0 HA LYS A 76 3.475 9.724 -19.880 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.782 12.349 -20.740 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.613 10.811 -20.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.330 11.418 -22.538 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.032 11.402 -22.959 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.125 8.955 -22.300 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.397 9.000 -22.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.010 9.710 -24.377 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.737 9.698 -24.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.699 7.682 -25.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.772 7.322 -24.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.098 7.334 -23.914 1.00 0.00 H new ATOM 1247 N ASP A 77 3.926 12.293 -17.900 1.00 0.00 N ATOM 1248 CA ASP A 77 4.287 12.778 -16.570 1.00 0.00 C ATOM 1249 C ASP A 77 3.330 13.936 -16.294 1.00 0.00 C ATOM 1250 O ASP A 77 2.551 14.294 -17.180 1.00 0.00 O ATOM 1251 CB ASP A 77 5.759 13.230 -16.523 1.00 0.00 C ATOM 1252 CG ASP A 77 6.369 13.097 -15.119 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.961 13.842 -14.200 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.282 12.258 -14.946 1.00 0.00 O ATOM 0 H ASP A 77 3.469 13.015 -18.458 1.00 0.00 H new ATOM 0 HA ASP A 77 4.198 11.999 -15.813 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.341 12.635 -17.227 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.828 14.268 -16.849 1.00 0.00 H new ATOM 1259 N MET A 78 3.347 14.530 -15.108 1.00 0.00 N ATOM 1260 CA MET A 78 2.613 15.770 -14.882 1.00 0.00 C ATOM 1261 C MET A 78 3.554 16.899 -15.280 1.00 0.00 C ATOM 1262 O MET A 78 4.717 16.885 -14.875 1.00 0.00 O ATOM 1263 CB MET A 78 2.183 15.874 -13.415 1.00 0.00 C ATOM 1264 CG MET A 78 1.129 14.820 -13.060 1.00 0.00 C ATOM 1265 SD MET A 78 -0.461 14.921 -13.933 1.00 0.00 S ATOM 1266 CE MET A 78 -0.263 13.575 -15.137 1.00 0.00 C ATOM 0 H MET A 78 3.854 14.179 -14.296 1.00 0.00 H new ATOM 0 HA MET A 78 1.697 15.814 -15.471 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.053 15.750 -12.771 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.782 16.869 -13.222 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.557 13.835 -13.248 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.933 14.883 -11.990 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.578 13.919 -16.122 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.783 13.272 -15.175 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.876 12.725 -14.837 1.00 0.00 H new ATOM 1276 N TYR A 79 3.079 17.889 -16.037 1.00 0.00 N ATOM 1277 CA TYR A 79 3.911 18.984 -16.531 1.00 0.00 C ATOM 1278 C TYR A 79 3.194 20.312 -16.320 1.00 0.00 C ATOM 1279 O TYR A 79 1.964 20.367 -16.269 1.00 0.00 O ATOM 1280 CB TYR A 79 4.228 18.815 -18.026 1.00 0.00 C ATOM 1281 CG TYR A 79 5.003 17.586 -18.459 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.300 16.408 -18.758 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.393 17.646 -18.685 1.00 0.00 C ATOM 1284 CE1 TYR A 79 4.978 15.290 -19.263 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.078 16.526 -19.201 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.368 15.334 -19.483 1.00 0.00 C ATOM 1287 OH TYR A 79 6.987 14.216 -19.961 1.00 0.00 O ATOM 0 H TYR A 79 2.103 17.953 -16.325 1.00 0.00 H new ATOM 0 HA TYR A 79 4.848 18.970 -15.974 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.283 18.822 -18.570 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.788 19.693 -18.349 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.233 16.363 -18.598 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.936 18.553 -18.462 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.429 14.387 -19.485 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.142 16.578 -19.381 1.00 0.00 H new ATOM 0 HH TYR A 79 7.945 14.392 -20.065 1.00 0.00 H new ATOM 1297 N VAL A 80 3.975 21.384 -16.256 1.00 0.00 N ATOM 1298 CA VAL A 80 3.531 22.736 -15.981 1.00 0.00 C ATOM 1299 C VAL A 80 4.308 23.673 -16.895 1.00 0.00 C ATOM 1300 O VAL A 80 5.496 23.463 -17.152 1.00 0.00 O ATOM 1301 CB VAL A 80 3.730 23.095 -14.488 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.604 22.514 -13.625 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.079 22.633 -13.904 1.00 0.00 C ATOM 0 H VAL A 80 4.983 21.326 -16.402 1.00 0.00 H new ATOM 0 HA VAL A 80 2.463 22.832 -16.178 1.00 0.00 H new ATOM 0 HB VAL A 80 3.715 24.185 -14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.770 22.782 -12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.647 22.918 -13.955 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.593 21.429 -13.723 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.140 22.923 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.159 21.549 -13.986 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.894 23.100 -14.457 1.00 0.00 H new ATOM 1313 N GLU A 81 3.628 24.691 -17.409 1.00 0.00 N ATOM 1314 CA GLU A 81 4.272 25.786 -18.117 1.00 0.00 C ATOM 1315 C GLU A 81 4.879 26.699 -17.053 1.00 0.00 C ATOM 1316 O GLU A 81 4.214 26.993 -16.055 1.00 0.00 O ATOM 1317 CB GLU A 81 3.258 26.555 -18.976 1.00 0.00 C ATOM 1318 CG GLU A 81 2.712 25.698 -20.126 1.00 0.00 C ATOM 1319 CD GLU A 81 1.829 26.528 -21.075 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.629 26.731 -20.783 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.323 26.974 -22.137 1.00 0.00 O ATOM 0 H GLU A 81 2.614 24.779 -17.346 1.00 0.00 H new ATOM 0 HA GLU A 81 5.039 25.411 -18.795 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.431 26.889 -18.349 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.731 27.449 -19.383 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.542 25.265 -20.684 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.133 24.868 -19.720 1.00 0.00 H new ATOM 1328 N VAL A 82 6.116 27.155 -17.247 1.00 0.00 N ATOM 1329 CA VAL A 82 6.842 27.952 -16.261 1.00 0.00 C ATOM 1330 C VAL A 82 7.608 29.073 -16.967 1.00 0.00 C ATOM 1331 O VAL A 82 8.035 28.898 -18.106 1.00 0.00 O ATOM 1332 CB VAL A 82 7.759 27.057 -15.387 1.00 0.00 C ATOM 1333 CG1 VAL A 82 7.021 25.871 -14.744 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.978 26.487 -16.128 1.00 0.00 C ATOM 0 H VAL A 82 6.646 26.980 -18.101 1.00 0.00 H new ATOM 0 HA VAL A 82 6.132 28.418 -15.577 1.00 0.00 H new ATOM 0 HB VAL A 82 8.099 27.750 -14.618 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.721 25.287 -14.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.221 26.244 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.596 25.240 -15.525 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.565 25.874 -15.445 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.642 25.876 -16.966 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.593 27.306 -16.500 1.00 0.00 H new ATOM 1344 N ALA A 83 7.824 30.206 -16.301 1.00 0.00 N ATOM 1345 CA ALA A 83 8.603 31.329 -16.811 1.00 0.00 C ATOM 1346 C ALA A 83 9.646 31.688 -15.758 1.00 0.00 C ATOM 1347 O ALA A 83 9.365 31.638 -14.559 1.00 0.00 O ATOM 1348 CB ALA A 83 7.686 32.520 -17.104 1.00 0.00 C ATOM 0 H ALA A 83 7.451 30.371 -15.366 1.00 0.00 H new ATOM 0 HA ALA A 83 9.097 31.061 -17.745 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.280 33.351 -17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.944 32.233 -17.849 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.181 32.824 -16.187 1.00 0.00 H new ATOM 1354 N ASP A 84 10.856 32.016 -16.202 1.00 0.00 N ATOM 1355 CA ASP A 84 11.977 32.301 -15.308 1.00 0.00 C ATOM 1356 C ASP A 84 11.784 33.644 -14.608 1.00 0.00 C ATOM 1357 O ASP A 84 11.575 34.660 -15.269 1.00 0.00 O ATOM 1358 CB ASP A 84 13.287 32.322 -16.102 1.00 0.00 C ATOM 1359 CG ASP A 84 14.455 32.790 -15.227 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.632 32.255 -14.113 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.164 33.728 -15.648 1.00 0.00 O ATOM 0 H ASP A 84 11.088 32.092 -17.192 1.00 0.00 H new ATOM 0 HA ASP A 84 12.020 31.516 -14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.496 31.325 -16.491 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.184 32.984 -16.962 1.00 0.00 H new ATOM 1366 N ILE A 85 11.884 33.662 -13.277 1.00 0.00 N ATOM 1367 CA ILE A 85 11.822 34.890 -12.485 1.00 0.00 C ATOM 1368 C ILE A 85 13.223 35.535 -12.431 1.00 0.00 C ATOM 1369 O ILE A 85 13.325 36.748 -12.238 1.00 0.00 O ATOM 1370 CB ILE A 85 11.223 34.586 -11.085 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.790 34.010 -11.208 1.00 0.00 C ATOM 1372 CG2 ILE A 85 11.149 35.833 -10.188 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.178 33.555 -9.875 1.00 0.00 C ATOM 0 H ILE A 85 12.011 32.820 -12.716 1.00 0.00 H new ATOM 0 HA ILE A 85 11.157 35.617 -12.950 1.00 0.00 H new ATOM 0 HB ILE A 85 11.895 33.859 -10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.143 34.767 -11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.808 33.163 -11.894 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.723 35.562 -9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.151 36.236 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.521 36.586 -10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.175 33.165 -10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.800 32.774 -9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.124 34.402 -9.191 1.00 0.00 H new ATOM 1457 N VAL A 92 9.128 31.524 -21.953 1.00 0.00 N ATOM 1458 CA VAL A 92 8.351 30.557 -21.186 1.00 0.00 C ATOM 1459 C VAL A 92 8.794 29.154 -21.628 1.00 0.00 C ATOM 1460 O VAL A 92 9.244 28.950 -22.760 1.00 0.00 O ATOM 1461 CB VAL A 92 6.832 30.793 -21.391 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.970 30.018 -20.382 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.421 32.275 -21.288 1.00 0.00 C ATOM 0 HA VAL A 92 8.530 30.668 -20.117 1.00 0.00 H new ATOM 0 HB VAL A 92 6.652 30.432 -22.404 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.916 30.221 -20.572 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.159 28.950 -20.487 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.223 30.333 -19.370 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.346 32.366 -21.442 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.680 32.657 -20.300 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.946 32.852 -22.049 1.00 0.00 H new ATOM 1473 N TYR A 93 8.659 28.196 -20.719 1.00 0.00 N ATOM 1474 CA TYR A 93 9.186 26.845 -20.803 1.00 0.00 C ATOM 1475 C TYR A 93 8.126 25.869 -20.283 1.00 0.00 C ATOM 1476 O TYR A 93 7.058 26.279 -19.822 1.00 0.00 O ATOM 1477 CB TYR A 93 10.466 26.758 -19.944 1.00 0.00 C ATOM 1478 CG TYR A 93 11.480 27.868 -20.171 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.450 27.747 -21.184 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.437 29.034 -19.378 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.370 28.786 -21.410 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.345 30.083 -19.607 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.318 29.961 -20.626 1.00 0.00 C ATOM 1484 OH TYR A 93 14.212 30.963 -20.855 1.00 0.00 O ATOM 0 H TYR A 93 8.147 28.354 -19.851 1.00 0.00 H new ATOM 0 HA TYR A 93 9.430 26.589 -21.834 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.179 26.761 -18.893 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.950 25.801 -20.139 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.488 26.853 -21.789 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.703 29.121 -18.591 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.117 28.686 -22.183 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.299 30.979 -19.006 1.00 0.00 H new ATOM 0 HH TYR A 93 14.042 31.701 -20.233 1.00 0.00 H new ATOM 1494 N THR A 94 8.454 24.580 -20.299 1.00 0.00 N ATOM 1495 CA THR A 94 7.658 23.530 -19.676 1.00 0.00 C ATOM 1496 C THR A 94 8.605 22.709 -18.802 1.00 0.00 C ATOM 1497 O THR A 94 9.736 22.419 -19.205 1.00 0.00 O ATOM 1498 CB THR A 94 6.941 22.682 -20.747 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.370 23.497 -21.757 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.812 21.842 -20.144 1.00 0.00 C ATOM 0 H THR A 94 9.297 24.231 -20.755 1.00 0.00 H new ATOM 0 HA THR A 94 6.865 23.945 -19.054 1.00 0.00 H new ATOM 0 HB THR A 94 7.705 22.031 -21.172 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.925 22.931 -22.421 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.332 21.259 -20.930 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.222 21.168 -19.392 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.077 22.500 -19.680 1.00 0.00 H new ATOM 1508 N ALA A 95 8.137 22.343 -17.611 1.00 0.00 N ATOM 1509 CA ALA A 95 8.855 21.538 -16.637 1.00 0.00 C ATOM 1510 C ALA A 95 7.911 20.438 -16.164 1.00 0.00 C ATOM 1511 O ALA A 95 6.692 20.608 -16.206 1.00 0.00 O ATOM 1512 CB ALA A 95 9.277 22.427 -15.460 1.00 0.00 C ATOM 0 H ALA A 95 7.208 22.613 -17.289 1.00 0.00 H new ATOM 0 HA ALA A 95 9.752 21.097 -17.073 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.816 21.828 -14.726 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.924 23.226 -15.821 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.391 22.859 -14.995 1.00 0.00 H new ATOM 1518 N LYS A 96 8.450 19.311 -15.701 1.00 0.00 N ATOM 1519 CA LYS A 96 7.628 18.321 -15.030 1.00 0.00 C ATOM 1520 C LYS A 96 7.280 18.904 -13.670 1.00 0.00 C ATOM 1521 O LYS A 96 8.135 19.512 -13.024 1.00 0.00 O ATOM 1522 CB LYS A 96 8.374 16.991 -14.868 1.00 0.00 C ATOM 1523 CG LYS A 96 8.708 16.343 -16.216 1.00 0.00 C ATOM 1524 CD LYS A 96 9.641 15.136 -16.075 1.00 0.00 C ATOM 1525 CE LYS A 96 11.068 15.533 -15.663 1.00 0.00 C ATOM 1526 NZ LYS A 96 11.978 14.360 -15.608 1.00 0.00 N ATOM 0 H LYS A 96 9.438 19.068 -15.779 1.00 0.00 H new ATOM 0 HA LYS A 96 6.733 18.106 -15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.295 17.159 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.765 16.305 -14.279 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.785 16.029 -16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.174 17.084 -16.865 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.231 14.450 -15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.677 14.598 -17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.460 16.263 -16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.042 16.018 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.929 14.672 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.619 13.674 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.024 13.912 -16.545 1.00 0.00 H new ATOM 1540 N LEU A 97 6.065 18.661 -13.188 1.00 0.00 N ATOM 1541 CA LEU A 97 5.713 18.967 -11.803 1.00 0.00 C ATOM 1542 C LEU A 97 6.628 18.143 -10.880 1.00 0.00 C ATOM 1543 O LEU A 97 7.003 18.593 -9.801 1.00 0.00 O ATOM 1544 CB LEU A 97 4.228 18.656 -11.548 1.00 0.00 C ATOM 1545 CG LEU A 97 3.722 19.138 -10.171 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.747 20.669 -10.055 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.289 18.647 -9.955 1.00 0.00 C ATOM 0 H LEU A 97 5.307 18.253 -13.735 1.00 0.00 H new ATOM 0 HA LEU A 97 5.858 20.028 -11.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.628 19.123 -12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.072 17.580 -11.627 1.00 0.00 H new ATOM 0 HG LEU A 97 4.388 18.729 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.383 20.965 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.768 21.027 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.108 21.103 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.931 18.987 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.645 19.046 -10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.269 17.558 -9.989 1.00 0.00 H new ATOM 1559 N SER A 98 7.056 16.973 -11.361 1.00 0.00 N ATOM 1560 CA SER A 98 8.039 16.090 -10.748 1.00 0.00 C ATOM 1561 C SER A 98 9.428 16.734 -10.574 1.00 0.00 C ATOM 1562 O SER A 98 10.254 16.191 -9.842 1.00 0.00 O ATOM 1563 CB SER A 98 8.119 14.838 -11.633 1.00 0.00 C ATOM 1564 OG SER A 98 6.819 14.297 -11.778 1.00 0.00 O ATOM 0 H SER A 98 6.702 16.599 -12.241 1.00 0.00 H new ATOM 0 HA SER A 98 7.719 15.851 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.533 15.092 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.786 14.102 -11.185 1.00 0.00 H new ATOM 0 HG SER A 98 6.707 13.955 -12.690 1.00 0.00 H new ATOM 1570 N ASP A 99 9.699 17.879 -11.215 1.00 0.00 N ATOM 1571 CA ASP A 99 10.977 18.590 -11.169 1.00 0.00 C ATOM 1572 C ASP A 99 10.822 19.927 -10.431 1.00 0.00 C ATOM 1573 O ASP A 99 11.748 20.732 -10.404 1.00 0.00 O ATOM 1574 CB ASP A 99 11.458 18.830 -12.616 1.00 0.00 C ATOM 1575 CG ASP A 99 12.931 18.502 -12.894 1.00 0.00 C ATOM 1576 OD1 ASP A 99 13.530 17.639 -12.216 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.451 19.040 -13.897 1.00 0.00 O ATOM 0 H ASP A 99 9.008 18.349 -11.799 1.00 0.00 H new ATOM 0 HA ASP A 99 11.711 17.992 -10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.840 18.234 -13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.285 19.876 -12.867 1.00 0.00 H new ATOM 1582 N ILE A 100 9.649 20.191 -9.852 1.00 0.00 N ATOM 1583 CA ILE A 100 9.247 21.477 -9.292 1.00 0.00 C ATOM 1584 C ILE A 100 8.980 21.301 -7.799 1.00 0.00 C ATOM 1585 O ILE A 100 8.558 20.242 -7.331 1.00 0.00 O ATOM 1586 CB ILE A 100 8.021 22.009 -10.088 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.503 22.757 -11.349 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.997 22.849 -9.295 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.747 24.262 -11.194 1.00 0.00 C ATOM 0 H ILE A 100 8.923 19.481 -9.758 1.00 0.00 H new ATOM 0 HA ILE A 100 10.033 22.226 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 100 7.454 21.118 -10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.429 22.293 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.765 22.609 -12.137 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.191 23.161 -9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.587 22.250 -8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.490 23.730 -8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.082 24.676 -12.145 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.821 24.751 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.511 24.430 -10.435 1.00 0.00 H new ATOM 1601 N GLU A 101 9.194 22.390 -7.070 1.00 0.00 N ATOM 1602 CA GLU A 101 8.856 22.533 -5.662 1.00 0.00 C ATOM 1603 C GLU A 101 8.151 23.884 -5.527 1.00 0.00 C ATOM 1604 O GLU A 101 8.764 24.926 -5.761 1.00 0.00 O ATOM 1605 CB GLU A 101 10.142 22.429 -4.826 1.00 0.00 C ATOM 1606 CG GLU A 101 9.882 22.475 -3.315 1.00 0.00 C ATOM 1607 CD GLU A 101 11.192 22.384 -2.511 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.868 21.330 -2.555 1.00 0.00 O ATOM 1609 OE2 GLU A 101 11.549 23.360 -1.812 1.00 0.00 O ATOM 0 H GLU A 101 9.624 23.229 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 101 8.192 21.750 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.654 21.499 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.812 23.244 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.363 23.400 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.224 21.653 -3.033 1.00 0.00 H new ATOM 1616 N ALA A 102 6.848 23.881 -5.231 1.00 0.00 N ATOM 1617 CA ALA A 102 6.079 25.115 -5.110 1.00 0.00 C ATOM 1618 C ALA A 102 6.530 25.894 -3.872 1.00 0.00 C ATOM 1619 O ALA A 102 6.910 25.308 -2.854 1.00 0.00 O ATOM 1620 CB ALA A 102 4.582 24.802 -5.034 1.00 0.00 C ATOM 0 H ALA A 102 6.305 23.032 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 102 6.256 25.731 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.020 25.732 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.274 24.278 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.385 24.174 -4.165 1.00 0.00 H new ATOM 1626 N ILE A 103 6.441 27.219 -3.956 1.00 0.00 N ATOM 1627 CA ILE A 103 6.854 28.151 -2.913 1.00 0.00 C ATOM 1628 C ILE A 103 5.611 28.932 -2.476 1.00 0.00 C ATOM 1629 O ILE A 103 4.881 29.465 -3.314 1.00 0.00 O ATOM 1630 CB ILE A 103 7.980 29.072 -3.447 1.00 0.00 C ATOM 1631 CG1 ILE A 103 9.263 28.272 -3.779 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.323 30.186 -2.440 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.287 29.075 -4.592 1.00 0.00 C ATOM 0 H ILE A 103 6.066 27.688 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 103 7.265 27.631 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 103 7.600 29.525 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.727 27.941 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.990 27.376 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.116 30.813 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.438 30.795 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.658 29.740 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.161 28.455 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.840 29.384 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.588 29.958 -4.028 1.00 0.00 H new ATOM 1645 N ASP A 104 5.419 29.025 -1.154 1.00 0.00 N ATOM 1646 CA ASP A 104 4.378 29.818 -0.485 1.00 0.00 C ATOM 1647 C ASP A 104 2.983 29.626 -1.107 1.00 0.00 C ATOM 1648 O ASP A 104 2.223 30.578 -1.305 1.00 0.00 O ATOM 1649 CB ASP A 104 4.822 31.288 -0.394 1.00 0.00 C ATOM 1650 CG ASP A 104 3.878 32.142 0.474 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.502 31.709 1.588 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.557 33.286 0.079 1.00 0.00 O ATOM 0 H ASP A 104 6.012 28.527 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 104 4.262 29.447 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.830 31.334 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.869 31.712 -1.397 1.00 0.00 H new ATOM 1657 N VAL A 105 2.668 28.382 -1.481 1.00 0.00 N ATOM 1658 CA VAL A 105 1.459 28.044 -2.224 1.00 0.00 C ATOM 1659 C VAL A 105 0.329 27.647 -1.261 1.00 0.00 C ATOM 1660 O VAL A 105 0.556 27.501 -0.054 1.00 0.00 O ATOM 1661 CB VAL A 105 1.820 26.989 -3.292 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.906 25.545 -2.772 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.911 27.125 -4.513 1.00 0.00 C ATOM 0 H VAL A 105 3.255 27.575 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 105 1.062 28.905 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 105 2.843 27.210 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.164 24.877 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.671 25.482 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.943 25.251 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.182 26.373 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.127 26.981 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.029 28.119 -4.945 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.895 27.492 -1.779 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.033 27.053 -0.974 1.00 0.00 C ATOM 1675 C ASP A 106 -1.831 25.618 -0.499 1.00 0.00 C ATOM 1676 O ASP A 106 -1.101 24.824 -1.098 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.348 27.131 -1.755 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.577 26.960 -0.851 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.982 27.940 -0.187 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.111 25.831 -0.775 1.00 0.00 O ATOM 0 H ASP A 106 -1.120 27.666 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.093 27.726 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.407 28.092 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.356 26.359 -2.525 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.554 25.272 0.553 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.484 23.969 1.197 1.00 0.00 C ATOM 1687 C ASP A 107 -2.901 22.867 0.229 1.00 0.00 C ATOM 1688 O ASP A 107 -2.241 21.834 0.164 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.379 23.947 2.438 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.373 22.558 3.098 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.365 22.202 3.750 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.397 21.844 3.020 1.00 0.00 O ATOM 0 H ASP A 107 -3.222 25.904 0.994 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.453 23.789 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.034 24.694 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.398 24.217 2.161 1.00 0.00 H new ATOM 1697 N ASP A 108 -3.948 23.089 -0.572 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.471 22.056 -1.462 1.00 0.00 C ATOM 1699 C ASP A 108 -3.535 21.850 -2.660 1.00 0.00 C ATOM 1700 O ASP A 108 -3.403 20.737 -3.169 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.891 22.442 -1.907 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.776 21.247 -2.310 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.478 20.084 -1.961 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.848 21.491 -2.911 1.00 0.00 O ATOM 0 H ASP A 108 -4.448 23.977 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.522 21.106 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.379 22.983 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.821 23.128 -2.751 1.00 0.00 H new ATOM 1709 N THR A 109 -2.820 22.908 -3.068 1.00 0.00 N ATOM 1710 CA THR A 109 -1.787 22.824 -4.101 1.00 0.00 C ATOM 1711 C THR A 109 -0.625 21.993 -3.558 1.00 0.00 C ATOM 1712 O THR A 109 -0.194 21.034 -4.201 1.00 0.00 O ATOM 1713 CB THR A 109 -1.342 24.242 -4.520 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.487 24.987 -4.883 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.431 24.267 -5.746 1.00 0.00 C ATOM 0 H THR A 109 -2.945 23.846 -2.688 1.00 0.00 H new ATOM 0 HA THR A 109 -2.175 22.335 -4.995 1.00 0.00 H new ATOM 0 HB THR A 109 -0.799 24.648 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.222 24.375 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.161 25.297 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.472 23.693 -5.540 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.953 23.828 -6.596 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.146 22.316 -2.353 1.00 0.00 N ATOM 1724 CA GLN A 110 0.985 21.627 -1.762 1.00 0.00 C ATOM 1725 C GLN A 110 0.646 20.162 -1.457 1.00 0.00 C ATOM 1726 O GLN A 110 1.511 19.302 -1.626 1.00 0.00 O ATOM 1727 CB GLN A 110 1.455 22.412 -0.531 1.00 0.00 C ATOM 1728 CG GLN A 110 2.751 21.875 0.088 1.00 0.00 C ATOM 1729 CD GLN A 110 3.919 21.764 -0.896 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.688 22.702 -1.082 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.079 20.619 -1.543 1.00 0.00 N ATOM 0 H GLN A 110 -0.534 23.058 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 110 1.813 21.589 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.602 23.455 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.668 22.393 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.045 22.527 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.556 20.891 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.433 19.846 -1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.848 20.510 -2.204 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.592 19.857 -1.062 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.036 18.486 -0.845 1.00 0.00 C ATOM 1742 C GLU A 111 -1.066 17.710 -2.157 1.00 0.00 C ATOM 1743 O GLU A 111 -0.593 16.576 -2.186 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.418 18.459 -0.171 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.354 18.744 1.336 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.761 17.564 2.120 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -0.520 17.448 2.217 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -2.526 16.723 2.643 1.00 0.00 O ATOM 0 H GLU A 111 -1.312 20.557 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.321 18.003 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.064 19.197 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.876 17.483 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.751 19.635 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.356 18.959 1.707 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.564 18.302 -3.247 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.571 17.641 -4.547 1.00 0.00 C ATOM 1757 C ALA A 112 -0.145 17.350 -5.021 1.00 0.00 C ATOM 1758 O ALA A 112 0.118 16.272 -5.551 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.314 18.510 -5.560 1.00 0.00 C ATOM 0 H ALA A 112 -1.967 19.239 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.088 16.686 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.318 18.014 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.340 18.662 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.814 19.475 -5.647 1.00 0.00 H new ATOM 1765 N ILE A 113 0.780 18.291 -4.807 1.00 0.00 N ATOM 1766 CA ILE A 113 2.189 18.111 -5.137 1.00 0.00 C ATOM 1767 C ILE A 113 2.769 16.966 -4.300 1.00 0.00 C ATOM 1768 O ILE A 113 3.381 16.061 -4.861 1.00 0.00 O ATOM 1769 CB ILE A 113 2.933 19.448 -4.935 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.504 20.447 -6.030 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.463 19.274 -4.942 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.752 21.897 -5.618 1.00 0.00 C ATOM 0 H ILE A 113 0.567 19.201 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 113 2.311 17.830 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 113 2.662 19.834 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 113 3.051 20.234 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.445 20.310 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.940 20.243 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.756 18.600 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.777 18.855 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.434 22.563 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.184 22.121 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.815 22.044 -5.424 1.00 0.00 H new ATOM 1784 N ALA A 114 2.572 16.979 -2.977 1.00 0.00 N ATOM 1785 CA ALA A 114 3.102 15.946 -2.096 1.00 0.00 C ATOM 1786 C ALA A 114 2.558 14.572 -2.498 1.00 0.00 C ATOM 1787 O ALA A 114 3.319 13.616 -2.621 1.00 0.00 O ATOM 1788 CB ALA A 114 2.749 16.270 -0.640 1.00 0.00 C ATOM 0 H ALA A 114 2.042 17.705 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 114 4.188 15.920 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.148 15.494 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.182 17.232 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.666 16.315 -0.530 1.00 0.00 H new ATOM 1794 N ASP A 115 1.253 14.486 -2.755 1.00 0.00 N ATOM 1795 CA ASP A 115 0.596 13.244 -3.140 1.00 0.00 C ATOM 1796 C ASP A 115 1.102 12.725 -4.487 1.00 0.00 C ATOM 1797 O ASP A 115 1.333 11.524 -4.644 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.918 13.443 -3.173 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.626 12.108 -3.424 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.603 11.249 -2.513 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.264 11.957 -4.486 1.00 0.00 O ATOM 0 H ASP A 115 0.620 15.284 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 115 0.842 12.490 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.256 13.869 -2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.181 14.154 -3.956 1.00 0.00 H new ATOM 1806 N TRP A 116 1.349 13.630 -5.440 1.00 0.00 N ATOM 1807 CA TRP A 116 1.955 13.276 -6.714 1.00 0.00 C ATOM 1808 C TRP A 116 3.385 12.771 -6.507 1.00 0.00 C ATOM 1809 O TRP A 116 3.783 11.797 -7.140 1.00 0.00 O ATOM 1810 CB TRP A 116 1.935 14.471 -7.677 1.00 0.00 C ATOM 1811 CG TRP A 116 2.660 14.201 -8.959 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.874 14.691 -9.299 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.300 13.265 -10.021 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.293 14.109 -10.476 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.378 13.197 -10.953 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.186 12.437 -10.268 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.361 12.334 -12.059 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.144 11.589 -11.391 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.231 11.528 -12.279 1.00 0.00 C ATOM 0 H TRP A 116 1.133 14.622 -5.344 1.00 0.00 H new ATOM 0 HA TRP A 116 1.369 12.472 -7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.901 14.734 -7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.385 15.334 -7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.430 15.425 -8.735 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.175 14.328 -10.939 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.350 12.454 -9.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.205 12.290 -12.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.270 10.981 -11.571 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.198 10.863 -13.129 1.00 0.00 H new ATOM 1830 N LEU A 117 4.163 13.391 -5.615 1.00 0.00 N ATOM 1831 CA LEU A 117 5.532 12.968 -5.344 1.00 0.00 C ATOM 1832 C LEU A 117 5.556 11.588 -4.681 1.00 0.00 C ATOM 1833 O LEU A 117 6.441 10.795 -5.004 1.00 0.00 O ATOM 1834 CB LEU A 117 6.270 14.015 -4.494 1.00 0.00 C ATOM 1835 CG LEU A 117 6.607 15.307 -5.271 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.024 16.404 -4.287 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.721 15.094 -6.306 1.00 0.00 C ATOM 0 H LEU A 117 3.860 14.195 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 117 6.059 12.885 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.656 14.269 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.193 13.578 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 117 5.710 15.605 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.261 17.315 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.206 16.601 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.902 16.078 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.920 16.032 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.627 14.759 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.408 14.340 -7.028 1.00 0.00 H new ATOM 1849 N TYR A 118 4.586 11.254 -3.819 1.00 0.00 N ATOM 1850 CA TYR A 118 4.462 9.896 -3.289 1.00 0.00 C ATOM 1851 C TYR A 118 4.227 8.915 -4.439 1.00 0.00 C ATOM 1852 O TYR A 118 4.889 7.881 -4.514 1.00 0.00 O ATOM 1853 CB TYR A 118 3.309 9.769 -2.276 1.00 0.00 C ATOM 1854 CG TYR A 118 3.263 10.738 -1.107 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.437 11.245 -0.513 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.007 11.125 -0.603 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.352 12.157 0.556 1.00 0.00 C ATOM 1858 CE2 TYR A 118 1.912 12.056 0.442 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.087 12.572 1.033 1.00 0.00 C ATOM 1860 OH TYR A 118 2.986 13.457 2.066 1.00 0.00 O ATOM 0 H TYR A 118 3.880 11.905 -3.477 1.00 0.00 H new ATOM 0 HA TYR A 118 5.392 9.663 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.373 9.867 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.335 8.758 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.404 10.933 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.108 10.701 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.253 12.540 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 118 0.943 12.378 0.794 1.00 0.00 H new ATOM 0 HH TYR A 118 2.041 13.628 2.259 1.00 0.00 H new ATOM 1870 N TRP A 119 3.309 9.236 -5.354 1.00 0.00 N ATOM 1871 CA TRP A 119 3.030 8.388 -6.502 1.00 0.00 C ATOM 1872 C TRP A 119 4.268 8.239 -7.396 1.00 0.00 C ATOM 1873 O TRP A 119 4.588 7.130 -7.825 1.00 0.00 O ATOM 1874 CB TRP A 119 1.840 8.948 -7.281 1.00 0.00 C ATOM 1875 CG TRP A 119 1.719 8.361 -8.646 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.137 8.954 -9.785 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.341 7.004 -9.017 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.984 8.087 -10.844 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.545 6.853 -10.420 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.909 5.868 -8.299 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 1.338 5.634 -11.075 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.706 4.636 -8.947 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.927 4.515 -10.330 1.00 0.00 C ATOM 0 H TRP A 119 2.745 10.085 -5.316 1.00 0.00 H new ATOM 0 HA TRP A 119 2.772 7.390 -6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 119 0.923 8.755 -6.724 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.941 10.030 -7.363 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.532 9.957 -9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.172 8.328 -11.817 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.732 5.946 -7.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 1.492 5.554 -12.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.378 3.778 -8.379 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.781 3.563 -10.820 1.00 0.00 H new ATOM 1894 N LEU A 120 4.998 9.326 -7.651 1.00 0.00 N ATOM 1895 CA LEU A 120 6.207 9.307 -8.459 1.00 0.00 C ATOM 1896 C LEU A 120 7.233 8.357 -7.839 1.00 0.00 C ATOM 1897 O LEU A 120 7.801 7.514 -8.534 1.00 0.00 O ATOM 1898 CB LEU A 120 6.757 10.739 -8.544 1.00 0.00 C ATOM 1899 CG LEU A 120 8.012 10.875 -9.423 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.673 10.712 -10.909 1.00 0.00 C ATOM 1901 CD2 LEU A 120 8.638 12.249 -9.168 1.00 0.00 C ATOM 0 H LEU A 120 4.759 10.252 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 120 5.988 8.947 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.979 11.394 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.991 11.088 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 120 8.718 10.086 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.581 10.814 -11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.238 9.727 -11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.958 11.480 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.530 12.362 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.920 13.029 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.910 12.335 -8.116 1.00 0.00 H new ATOM 1913 N ALA A 121 7.432 8.464 -6.522 1.00 0.00 N ATOM 1914 CA ALA A 121 8.338 7.609 -5.769 1.00 0.00 C ATOM 1915 C ALA A 121 7.841 6.164 -5.657 1.00 0.00 C ATOM 1916 O ALA A 121 8.626 5.284 -5.302 1.00 0.00 O ATOM 1917 CB ALA A 121 8.514 8.198 -4.366 1.00 0.00 C ATOM 0 H ALA A 121 6.958 9.159 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 121 9.286 7.576 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.191 7.568 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.930 9.202 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.546 8.243 -3.866 1.00 0.00 H new ATOM 1923 N ARG A 122 6.555 5.903 -5.925 1.00 0.00 N ATOM 1924 CA ARG A 122 5.951 4.592 -5.678 1.00 0.00 C ATOM 1925 C ARG A 122 6.607 3.489 -6.501 1.00 0.00 C ATOM 1926 O ARG A 122 6.724 2.361 -6.020 1.00 0.00 O ATOM 1927 CB ARG A 122 4.443 4.641 -5.990 1.00 0.00 C ATOM 1928 CG ARG A 122 3.663 3.440 -5.433 1.00 0.00 C ATOM 1929 CD ARG A 122 3.516 3.501 -3.908 1.00 0.00 C ATOM 1930 NE ARG A 122 2.586 4.579 -3.526 1.00 0.00 N ATOM 1931 CZ ARG A 122 1.255 4.448 -3.470 1.00 0.00 C ATOM 1932 NH1 ARG A 122 0.682 3.272 -3.697 1.00 0.00 N ATOM 1933 NH2 ARG A 122 0.484 5.490 -3.191 1.00 0.00 N ATOM 0 H ARG A 122 5.910 6.590 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 122 6.108 4.357 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.024 5.559 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.305 4.685 -7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.674 3.408 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.173 2.518 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.150 2.545 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.490 3.672 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 122 2.984 5.487 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.257 2.458 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.333 3.182 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.904 6.403 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.529 5.379 -3.151 1.00 0.00 H new