USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 33 TYR OH : rot -71:sc= 0.354 USER MOD Set 1.2: A 37 ASN : amide:sc= -2.39 X(o=-2,f=-1.8) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -148:sc= -0.0708 (180deg=-0.426) USER MOD Single : A 27 THR OG1 : rot -123:sc= 1.07 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0.0123 USER MOD Single : A 35 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.2!) USER MOD Single : A 40 ASN : amide:sc= -0.887 K(o=-0.89,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.0987 (180deg=-0.529) USER MOD Single : A 54 GLN : amide:sc= -8.52! C(o=-8.5!,f=-6.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= -0.0282 (180deg=-0.246) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 65 GLN : amide:sc= -1.52! C(o=-1.5!,f=-1.4!) USER MOD Single : A 72 GLN : amide:sc= 0.335 X(o=0.34,f=-0.015) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.377 K(o=0.38,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.136 -6.211 -1.951 1.00 0.00 N ATOM 198 CA TRP A 16 -0.880 -5.407 -0.987 1.00 0.00 C ATOM 199 C TRP A 16 -0.669 -5.925 0.431 1.00 0.00 C ATOM 200 O TRP A 16 -0.298 -5.169 1.328 1.00 0.00 O ATOM 201 CB TRP A 16 -2.371 -5.414 -1.329 1.00 0.00 C ATOM 202 CG TRP A 16 -2.719 -4.523 -2.483 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.858 -4.005 -3.408 1.00 0.00 C ATOM 204 CD2 TRP A 16 -4.023 -4.046 -2.834 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.548 -3.234 -4.312 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.877 -3.243 -3.982 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.298 -4.219 -2.291 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.959 -2.616 -4.594 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.372 -3.596 -2.899 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.197 -2.803 -4.041 1.00 0.00 C ATOM 0 HA TRP A 16 -0.507 -4.384 -1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.679 -6.434 -1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.939 -5.101 -0.453 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.792 -4.176 -3.426 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.137 -2.736 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.442 -4.829 -1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.826 -2.004 -5.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.362 -3.723 -2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.056 -2.330 -4.494 1.00 0.00 H new ATOM 221 N GLU A 17 -0.907 -7.219 0.626 1.00 0.00 N ATOM 222 CA GLU A 17 -0.743 -7.836 1.937 1.00 0.00 C ATOM 223 C GLU A 17 0.571 -7.404 2.581 1.00 0.00 C ATOM 224 O GLU A 17 0.636 -7.164 3.787 1.00 0.00 O ATOM 225 CB GLU A 17 -0.787 -9.361 1.816 1.00 0.00 C ATOM 226 CG GLU A 17 -0.639 -10.081 3.146 1.00 0.00 C ATOM 227 CD GLU A 17 -0.716 -11.589 3.005 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.836 -12.112 2.833 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.345 -12.245 3.065 1.00 0.00 O ATOM 0 H GLU A 17 -1.214 -7.859 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.565 -7.505 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.731 -9.654 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.008 -9.687 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.316 -9.810 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.420 -9.743 3.827 1.00 0.00 H new ATOM 236 N LYS A 18 1.618 -7.307 1.768 1.00 0.00 N ATOM 237 CA LYS A 18 2.931 -6.903 2.256 1.00 0.00 C ATOM 238 C LYS A 18 2.933 -5.432 2.659 1.00 0.00 C ATOM 239 O LYS A 18 3.224 -5.094 3.806 1.00 0.00 O ATOM 240 CB LYS A 18 3.995 -7.150 1.184 1.00 0.00 C ATOM 241 CG LYS A 18 4.188 -8.618 0.846 1.00 0.00 C ATOM 242 CD LYS A 18 5.103 -9.305 1.846 1.00 0.00 C ATOM 243 CE LYS A 18 4.325 -9.840 3.038 1.00 0.00 C ATOM 244 NZ LYS A 18 4.968 -11.049 3.623 1.00 0.00 N ATOM 0 H LYS A 18 1.582 -7.503 0.768 1.00 0.00 H new ATOM 0 HA LYS A 18 3.164 -7.503 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.718 -6.611 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.944 -6.736 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.220 -9.119 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.608 -8.709 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.629 -10.124 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.860 -8.601 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.249 -9.064 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.308 -10.083 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.407 -11.383 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.017 -11.798 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.929 -10.811 3.942 1.00 0.00 H new ATOM 258 N GLU A 19 2.606 -4.562 1.709 1.00 0.00 N ATOM 259 CA GLU A 19 2.570 -3.127 1.967 1.00 0.00 C ATOM 260 C GLU A 19 1.676 -2.812 3.163 1.00 0.00 C ATOM 261 O GLU A 19 1.892 -1.827 3.868 1.00 0.00 O ATOM 262 CB GLU A 19 2.071 -2.376 0.730 1.00 0.00 C ATOM 263 CG GLU A 19 2.831 -2.721 -0.539 1.00 0.00 C ATOM 264 CD GLU A 19 4.270 -3.115 -0.269 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.136 -2.216 -0.237 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.530 -4.323 -0.089 1.00 0.00 O ATOM 0 H GLU A 19 2.362 -4.825 0.754 1.00 0.00 H new ATOM 0 HA GLU A 19 3.584 -2.799 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.014 -2.598 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.149 -1.304 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.324 -3.539 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.813 -1.864 -1.213 1.00 0.00 H new ATOM 273 N GLU A 20 0.673 -3.655 3.383 1.00 0.00 N ATOM 274 CA GLU A 20 -0.255 -3.465 4.492 1.00 0.00 C ATOM 275 C GLU A 20 0.485 -3.470 5.826 1.00 0.00 C ATOM 276 O GLU A 20 0.000 -2.929 6.819 1.00 0.00 O ATOM 277 CB GLU A 20 -1.324 -4.560 4.485 1.00 0.00 C ATOM 278 CG GLU A 20 -2.562 -4.197 3.682 1.00 0.00 C ATOM 279 CD GLU A 20 -3.422 -3.157 4.374 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.931 -3.449 5.477 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.586 -2.054 3.814 1.00 0.00 O ATOM 0 H GLU A 20 0.482 -4.476 2.809 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.738 -2.496 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.893 -5.475 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.618 -4.776 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.259 -3.821 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.154 -5.095 3.508 1.00 0.00 H new ATOM 288 N ALA A 21 1.663 -4.085 5.841 1.00 0.00 N ATOM 289 CA ALA A 21 2.471 -4.160 7.052 1.00 0.00 C ATOM 290 C ALA A 21 3.310 -2.899 7.231 1.00 0.00 C ATOM 291 O ALA A 21 3.645 -2.518 8.353 1.00 0.00 O ATOM 292 CB ALA A 21 3.365 -5.391 7.015 1.00 0.00 C ATOM 0 H ALA A 21 2.079 -4.539 5.028 1.00 0.00 H new ATOM 0 HA ALA A 21 1.797 -4.240 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.963 -5.434 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.748 -6.287 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.026 -5.335 6.150 1.00 0.00 H new ATOM 298 N LEU A 22 3.648 -2.256 6.118 1.00 0.00 N ATOM 299 CA LEU A 22 4.449 -1.038 6.152 1.00 0.00 C ATOM 300 C LEU A 22 3.613 0.151 6.617 1.00 0.00 C ATOM 301 O LEU A 22 4.151 1.193 6.988 1.00 0.00 O ATOM 302 CB LEU A 22 5.037 -0.752 4.769 1.00 0.00 C ATOM 303 CG LEU A 22 5.765 -1.916 4.096 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.708 -1.778 2.582 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.208 -1.989 4.573 1.00 0.00 C ATOM 0 H LEU A 22 3.380 -2.558 5.181 1.00 0.00 H new ATOM 0 HA LEU A 22 5.262 -1.187 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.230 -0.427 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.732 0.083 4.857 1.00 0.00 H new ATOM 0 HG LEU A 22 5.264 -2.843 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.231 -2.615 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.668 -1.776 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.184 -0.844 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.711 -2.823 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.721 -1.060 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.227 -2.136 5.653 1.00 0.00 H new ATOM 317 N GLY A 23 2.294 -0.015 6.596 1.00 0.00 N ATOM 318 CA GLY A 23 1.406 1.051 7.020 1.00 0.00 C ATOM 319 C GLY A 23 1.625 2.332 6.240 1.00 0.00 C ATOM 320 O GLY A 23 1.418 2.371 5.028 1.00 0.00 O ATOM 0 H GLY A 23 1.825 -0.869 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.372 0.728 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.557 1.245 8.082 1.00 0.00 H new ATOM 324 N GLU A 24 2.043 3.384 6.938 1.00 0.00 N ATOM 325 CA GLU A 24 2.287 4.673 6.303 1.00 0.00 C ATOM 326 C GLU A 24 3.404 4.567 5.268 1.00 0.00 C ATOM 327 O GLU A 24 3.642 5.499 4.500 1.00 0.00 O ATOM 328 CB GLU A 24 2.649 5.724 7.354 1.00 0.00 C ATOM 329 CG GLU A 24 1.544 5.981 8.364 1.00 0.00 C ATOM 330 CD GLU A 24 2.072 6.491 9.691 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.675 5.692 10.437 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.883 7.691 9.983 1.00 0.00 O ATOM 0 H GLU A 24 2.219 3.368 7.943 1.00 0.00 H new ATOM 0 HA GLU A 24 1.372 4.978 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.546 5.402 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.894 6.659 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.843 6.708 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.987 5.059 8.529 1.00 0.00 H new ATOM 339 N MET A 25 4.084 3.426 5.255 1.00 0.00 N ATOM 340 CA MET A 25 5.175 3.198 4.315 1.00 0.00 C ATOM 341 C MET A 25 4.681 2.451 3.080 1.00 0.00 C ATOM 342 O MET A 25 5.420 2.277 2.112 1.00 0.00 O ATOM 343 CB MET A 25 6.299 2.407 4.987 1.00 0.00 C ATOM 344 CG MET A 25 7.399 3.285 5.563 1.00 0.00 C ATOM 345 SD MET A 25 8.193 4.313 4.313 1.00 0.00 S ATOM 346 CE MET A 25 8.941 3.063 3.271 1.00 0.00 C ATOM 0 H MET A 25 3.899 2.645 5.884 1.00 0.00 H new ATOM 0 HA MET A 25 5.560 4.168 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.876 1.797 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.735 1.722 4.260 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.979 3.924 6.340 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.150 2.655 6.040 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.866 3.451 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.160 2.176 3.866 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.253 2.800 2.467 1.00 0.00 H new ATOM 356 N ALA A 26 3.428 2.011 3.122 1.00 0.00 N ATOM 357 CA ALA A 26 2.835 1.285 2.006 1.00 0.00 C ATOM 358 C ALA A 26 3.295 1.860 0.671 1.00 0.00 C ATOM 359 O ALA A 26 3.164 3.059 0.421 1.00 0.00 O ATOM 360 CB ALA A 26 1.317 1.317 2.102 1.00 0.00 C ATOM 0 H ALA A 26 2.804 2.145 3.917 1.00 0.00 H new ATOM 0 HA ALA A 26 3.169 0.249 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.888 0.771 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.002 0.852 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.973 2.351 2.077 1.00 0.00 H new ATOM 366 N THR A 27 3.835 0.998 -0.186 1.00 0.00 N ATOM 367 CA THR A 27 4.315 1.421 -1.495 1.00 0.00 C ATOM 368 C THR A 27 3.183 1.447 -2.515 1.00 0.00 C ATOM 369 O THR A 27 3.421 1.504 -3.721 1.00 0.00 O ATOM 370 CB THR A 27 5.433 0.494 -2.009 1.00 0.00 C ATOM 371 OG1 THR A 27 4.913 -0.820 -2.239 1.00 0.00 O ATOM 372 CG2 THR A 27 6.580 0.424 -1.012 1.00 0.00 C ATOM 0 H THR A 27 3.951 0.003 0.004 1.00 0.00 H new ATOM 0 HA THR A 27 4.714 2.428 -1.375 1.00 0.00 H new ATOM 0 HB THR A 27 5.812 0.903 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.421 -1.470 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.357 -0.236 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.993 1.421 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.213 0.037 -0.062 1.00 0.00 H new ATOM 380 N VAL A 28 1.949 1.405 -2.023 1.00 0.00 N ATOM 381 CA VAL A 28 0.778 1.425 -2.892 1.00 0.00 C ATOM 382 C VAL A 28 -0.115 2.622 -2.584 1.00 0.00 C ATOM 383 O VAL A 28 -0.034 3.207 -1.504 1.00 0.00 O ATOM 384 CB VAL A 28 -0.048 0.132 -2.751 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.748 -0.199 -4.060 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.839 -1.020 -2.304 1.00 0.00 C ATOM 0 H VAL A 28 1.734 1.357 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 28 1.145 1.503 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.811 0.289 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.327 -1.115 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.415 0.619 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.005 -0.338 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.239 -1.925 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.625 -1.181 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.289 -0.780 -1.340 1.00 0.00 H new ATOM 396 N ALA A 29 -0.966 2.979 -3.539 1.00 0.00 N ATOM 397 CA ALA A 29 -1.876 4.105 -3.369 1.00 0.00 C ATOM 398 C ALA A 29 -2.997 3.762 -2.393 1.00 0.00 C ATOM 399 O ALA A 29 -3.176 4.413 -1.364 1.00 0.00 O ATOM 400 CB ALA A 29 -2.454 4.524 -4.713 1.00 0.00 C ATOM 0 H ALA A 29 -1.045 2.505 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.310 4.939 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.132 5.366 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.645 4.818 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.000 3.688 -5.151 1.00 0.00 H new ATOM 406 N PRO A 30 -3.770 2.717 -2.722 1.00 0.00 N ATOM 407 CA PRO A 30 -4.887 2.265 -1.887 1.00 0.00 C ATOM 408 C PRO A 30 -4.415 1.631 -0.582 1.00 0.00 C ATOM 409 O PRO A 30 -4.874 1.999 0.499 1.00 0.00 O ATOM 410 CB PRO A 30 -5.587 1.224 -2.764 1.00 0.00 C ATOM 411 CG PRO A 30 -4.525 0.726 -3.683 1.00 0.00 C ATOM 412 CD PRO A 30 -3.613 1.896 -3.934 1.00 0.00 C ATOM 0 HA PRO A 30 -5.531 3.091 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.002 0.415 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.415 1.666 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.980 -0.105 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.956 0.360 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.580 1.578 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.901 2.445 -4.831 1.00 0.00 H new ATOM 420 N VAL A 31 -3.497 0.676 -0.691 1.00 0.00 N ATOM 421 CA VAL A 31 -2.962 -0.008 0.480 1.00 0.00 C ATOM 422 C VAL A 31 -2.394 0.987 1.486 1.00 0.00 C ATOM 423 O VAL A 31 -2.256 0.680 2.670 1.00 0.00 O ATOM 424 CB VAL A 31 -1.862 -1.012 0.090 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.531 -1.924 1.262 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.287 -1.823 -1.124 1.00 0.00 C ATOM 0 H VAL A 31 -3.108 0.358 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.791 -0.549 0.937 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.962 -0.455 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.752 -2.627 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.180 -1.324 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.424 -2.475 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.497 -2.527 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.201 -2.371 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.468 -1.153 -1.964 1.00 0.00 H new ATOM 436 N LEU A 32 -2.066 2.182 1.006 1.00 0.00 N ATOM 437 CA LEU A 32 -1.512 3.225 1.863 1.00 0.00 C ATOM 438 C LEU A 32 -2.624 4.052 2.501 1.00 0.00 C ATOM 439 O LEU A 32 -2.630 4.274 3.712 1.00 0.00 O ATOM 440 CB LEU A 32 -0.582 4.133 1.059 1.00 0.00 C ATOM 441 CG LEU A 32 -0.146 5.427 1.747 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.481 5.127 3.100 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.825 6.199 0.867 1.00 0.00 C ATOM 0 H LEU A 32 -2.174 2.453 0.029 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.941 2.744 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.311 3.565 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.079 4.392 0.124 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.029 6.045 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.785 6.060 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.246 4.618 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.354 4.488 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.124 7.117 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.706 5.587 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.341 6.447 -0.078 1.00 0.00 H new ATOM 455 N TYR A 33 -3.563 4.505 1.678 1.00 0.00 N ATOM 456 CA TYR A 33 -4.680 5.308 2.161 1.00 0.00 C ATOM 457 C TYR A 33 -5.321 4.668 3.389 1.00 0.00 C ATOM 458 O TYR A 33 -5.382 5.273 4.460 1.00 0.00 O ATOM 459 CB TYR A 33 -5.725 5.482 1.059 1.00 0.00 C ATOM 460 CG TYR A 33 -7.020 6.096 1.542 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.199 7.474 1.545 1.00 0.00 C ATOM 462 CD2 TYR A 33 -8.062 5.299 1.998 1.00 0.00 C ATOM 463 CE1 TYR A 33 -8.380 8.040 1.986 1.00 0.00 C ATOM 464 CE2 TYR A 33 -9.247 5.856 2.440 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.401 7.226 2.432 1.00 0.00 C ATOM 466 OH TYR A 33 -10.578 7.785 2.873 1.00 0.00 O ATOM 0 H TYR A 33 -3.573 4.330 0.673 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.294 6.287 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.308 6.108 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.937 4.510 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.401 8.114 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.944 4.225 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.503 9.113 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.048 5.222 2.790 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.428 8.227 3.735 1.00 0.00 H new ATOM 476 N THR A 34 -5.798 3.438 3.226 1.00 0.00 N ATOM 477 CA THR A 34 -6.434 2.714 4.319 1.00 0.00 C ATOM 478 C THR A 34 -5.534 2.670 5.548 1.00 0.00 C ATOM 479 O THR A 34 -5.952 3.028 6.648 1.00 0.00 O ATOM 480 CB THR A 34 -6.790 1.273 3.906 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.750 0.727 3.087 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.110 1.237 3.150 1.00 0.00 C ATOM 0 H THR A 34 -5.756 2.922 2.347 1.00 0.00 H new ATOM 0 HA THR A 34 -7.350 3.252 4.563 1.00 0.00 H new ATOM 0 HB THR A 34 -6.892 0.674 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.599 -0.210 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.340 0.209 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.905 1.626 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.032 1.850 2.252 1.00 0.00 H new ATOM 490 N ASN A 35 -4.295 2.230 5.353 1.00 0.00 N ATOM 491 CA ASN A 35 -3.335 2.141 6.447 1.00 0.00 C ATOM 492 C ASN A 35 -3.413 3.374 7.341 1.00 0.00 C ATOM 493 O ASN A 35 -3.286 3.277 8.562 1.00 0.00 O ATOM 494 CB ASN A 35 -1.916 1.985 5.896 1.00 0.00 C ATOM 495 CG ASN A 35 -1.569 0.540 5.592 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.243 -0.382 6.053 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.514 0.336 4.813 1.00 0.00 N ATOM 0 H ASN A 35 -3.933 1.930 4.448 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.584 1.265 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.815 2.579 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.203 2.383 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.233 -0.615 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.015 1.130 4.453 1.00 0.00 H new ATOM 504 N ILE A 36 -3.621 4.533 6.725 1.00 0.00 N ATOM 505 CA ILE A 36 -3.718 5.784 7.466 1.00 0.00 C ATOM 506 C ILE A 36 -5.155 6.060 7.896 1.00 0.00 C ATOM 507 O ILE A 36 -5.461 6.095 9.087 1.00 0.00 O ATOM 508 CB ILE A 36 -3.207 6.973 6.631 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.750 6.748 6.221 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.348 8.270 7.413 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.263 7.714 5.163 1.00 0.00 C ATOM 0 H ILE A 36 -3.725 4.631 5.715 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.092 5.675 8.351 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.812 7.049 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.115 6.837 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.639 5.729 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.983 9.101 6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.397 8.434 7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.766 8.206 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.223 7.495 4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.873 7.609 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.342 8.734 5.538 1.00 0.00 H new ATOM 523 N ASN A 37 -6.033 6.253 6.917 1.00 0.00 N ATOM 524 CA ASN A 37 -7.439 6.524 7.194 1.00 0.00 C ATOM 525 C ASN A 37 -8.026 5.460 8.115 1.00 0.00 C ATOM 526 O ASN A 37 -8.584 5.774 9.167 1.00 0.00 O ATOM 527 CB ASN A 37 -8.235 6.580 5.888 1.00 0.00 C ATOM 528 CG ASN A 37 -8.190 7.952 5.243 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.159 8.709 5.301 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.062 8.277 4.623 1.00 0.00 N ATOM 0 H ASN A 37 -5.796 6.227 5.925 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.506 7.490 7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.839 5.841 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.272 6.308 6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.973 9.186 4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.284 7.617 4.600 1.00 0.00 H new ATOM 537 N PHE A 38 -7.897 4.200 7.714 1.00 0.00 N ATOM 538 CA PHE A 38 -8.415 3.089 8.504 1.00 0.00 C ATOM 539 C PHE A 38 -7.279 2.323 9.177 1.00 0.00 C ATOM 540 O PHE A 38 -6.766 1.335 8.652 1.00 0.00 O ATOM 541 CB PHE A 38 -9.228 2.142 7.618 1.00 0.00 C ATOM 542 CG PHE A 38 -10.459 2.776 7.035 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.389 3.500 5.856 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.686 2.648 7.666 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.519 4.084 5.316 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.819 3.230 7.131 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.736 3.950 5.955 1.00 0.00 C ATOM 0 H PHE A 38 -7.438 3.922 6.846 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.063 3.498 9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.595 1.783 6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.520 1.270 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.440 3.609 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.757 2.087 8.586 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.451 4.645 4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.770 3.122 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.621 4.407 5.536 1.00 0.00 H new ATOM 557 N PRO A 39 -6.876 2.791 10.368 1.00 0.00 N ATOM 558 CA PRO A 39 -5.797 2.166 11.139 1.00 0.00 C ATOM 559 C PRO A 39 -6.197 0.806 11.699 1.00 0.00 C ATOM 560 O PRO A 39 -5.420 -0.147 11.655 1.00 0.00 O ATOM 561 CB PRO A 39 -5.552 3.161 12.276 1.00 0.00 C ATOM 562 CG PRO A 39 -6.845 3.886 12.430 1.00 0.00 C ATOM 563 CD PRO A 39 -7.442 3.965 11.053 1.00 0.00 C ATOM 0 HA PRO A 39 -4.917 1.973 10.526 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.273 2.649 13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.740 3.847 12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.510 3.358 13.114 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.687 4.882 12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.531 3.926 11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.171 4.893 10.550 1.00 0.00 H new ATOM 571 N ASN A 40 -7.415 0.722 12.224 1.00 0.00 N ATOM 572 CA ASN A 40 -7.919 -0.523 12.793 1.00 0.00 C ATOM 573 C ASN A 40 -8.511 -1.416 11.707 1.00 0.00 C ATOM 574 O ASN A 40 -9.188 -2.403 12.001 1.00 0.00 O ATOM 575 CB ASN A 40 -8.974 -0.230 13.861 1.00 0.00 C ATOM 576 CG ASN A 40 -8.360 0.224 15.171 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.430 -0.479 16.179 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.755 1.406 15.162 1.00 0.00 N ATOM 0 H ASN A 40 -8.072 1.501 12.267 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.083 -1.048 13.254 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.653 0.540 13.495 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.571 -1.126 14.034 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.324 1.765 16.014 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.721 1.955 14.303 1.00 0.00 H new ATOM 585 N LEU A 41 -8.253 -1.064 10.453 1.00 0.00 N ATOM 586 CA LEU A 41 -8.760 -1.834 9.322 1.00 0.00 C ATOM 587 C LEU A 41 -8.573 -3.330 9.554 1.00 0.00 C ATOM 588 O LEU A 41 -9.482 -4.125 9.315 1.00 0.00 O ATOM 589 CB LEU A 41 -8.050 -1.414 8.034 1.00 0.00 C ATOM 590 CG LEU A 41 -8.565 -2.054 6.744 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.666 -1.204 6.129 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.425 -2.251 5.755 1.00 0.00 C ATOM 0 H LEU A 41 -7.696 -0.250 10.193 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.826 -1.630 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.129 -0.331 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.990 -1.648 8.134 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.982 -3.031 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.020 -1.675 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.493 -1.114 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.275 -0.213 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.809 -2.707 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.979 -1.285 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.669 -2.901 6.196 1.00 0.00 H new ATOM 604 N LYS A 42 -7.389 -3.707 10.025 1.00 0.00 N ATOM 605 CA LYS A 42 -7.082 -5.107 10.293 1.00 0.00 C ATOM 606 C LYS A 42 -8.112 -5.718 11.238 1.00 0.00 C ATOM 607 O LYS A 42 -8.461 -6.891 11.115 1.00 0.00 O ATOM 608 CB LYS A 42 -5.681 -5.237 10.895 1.00 0.00 C ATOM 609 CG LYS A 42 -5.431 -4.298 12.062 1.00 0.00 C ATOM 610 CD LYS A 42 -5.780 -4.951 13.389 1.00 0.00 C ATOM 611 CE LYS A 42 -4.706 -5.935 13.825 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.605 -5.261 14.568 1.00 0.00 N ATOM 0 H LYS A 42 -6.626 -3.062 10.229 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.116 -5.648 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.531 -6.264 11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.941 -5.043 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.384 -3.996 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.024 -3.392 11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.903 -4.183 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.735 -5.469 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.152 -6.704 14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.298 -6.439 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.893 -5.965 14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.162 -4.545 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.990 -4.802 15.418 1.00 0.00 H new ATOM 626 N GLU A 43 -8.594 -4.914 12.181 1.00 0.00 N ATOM 627 CA GLU A 43 -9.584 -5.377 13.146 1.00 0.00 C ATOM 628 C GLU A 43 -10.945 -5.564 12.481 1.00 0.00 C ATOM 629 O GLU A 43 -11.540 -6.639 12.555 1.00 0.00 O ATOM 630 CB GLU A 43 -9.703 -4.384 14.304 1.00 0.00 C ATOM 631 CG GLU A 43 -8.618 -4.544 15.356 1.00 0.00 C ATOM 632 CD GLU A 43 -8.886 -5.701 16.299 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.999 -5.764 16.860 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.980 -6.543 16.476 1.00 0.00 O ATOM 0 H GLU A 43 -8.315 -3.940 12.297 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.253 -6.340 13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.666 -3.370 13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.677 -4.506 14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.658 -4.697 14.862 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.537 -3.622 15.932 1.00 0.00 H new ATOM 641 N GLU A 44 -11.431 -4.511 11.833 1.00 0.00 N ATOM 642 CA GLU A 44 -12.722 -4.559 11.156 1.00 0.00 C ATOM 643 C GLU A 44 -12.790 -5.745 10.199 1.00 0.00 C ATOM 644 O GLU A 44 -13.829 -6.394 10.069 1.00 0.00 O ATOM 645 CB GLU A 44 -12.971 -3.257 10.392 1.00 0.00 C ATOM 646 CG GLU A 44 -13.685 -2.197 11.212 1.00 0.00 C ATOM 647 CD GLU A 44 -13.981 -0.942 10.414 1.00 0.00 C ATOM 648 OE1 GLU A 44 -14.651 -1.052 9.365 1.00 0.00 O ATOM 649 OE2 GLU A 44 -13.543 0.148 10.836 1.00 0.00 O ATOM 0 H GLU A 44 -10.951 -3.614 11.762 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.497 -4.681 11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.016 -2.858 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.562 -3.475 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.619 -2.608 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.073 -1.938 12.076 1.00 0.00 H new ATOM 656 N PHE A 45 -11.676 -6.023 9.530 1.00 0.00 N ATOM 657 CA PHE A 45 -11.609 -7.130 8.582 1.00 0.00 C ATOM 658 C PHE A 45 -10.330 -7.938 8.781 1.00 0.00 C ATOM 659 O PHE A 45 -9.274 -7.621 8.233 1.00 0.00 O ATOM 660 CB PHE A 45 -11.677 -6.605 7.147 1.00 0.00 C ATOM 661 CG PHE A 45 -12.631 -5.458 6.972 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.251 -4.167 7.306 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.906 -5.669 6.475 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.126 -3.109 7.146 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.785 -4.615 6.313 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.395 -3.334 6.650 1.00 0.00 C ATOM 0 H PHE A 45 -10.807 -5.497 9.626 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.463 -7.783 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.681 -6.289 6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.974 -7.418 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.260 -3.986 7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.217 -6.669 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.818 -2.108 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.776 -4.793 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.081 -2.509 6.526 1.00 0.00 H new ATOM 676 N PRO A 46 -10.426 -9.009 9.583 1.00 0.00 N ATOM 677 CA PRO A 46 -9.287 -9.885 9.872 1.00 0.00 C ATOM 678 C PRO A 46 -8.867 -10.709 8.660 1.00 0.00 C ATOM 679 O PRO A 46 -7.692 -10.736 8.293 1.00 0.00 O ATOM 680 CB PRO A 46 -9.815 -10.798 10.982 1.00 0.00 C ATOM 681 CG PRO A 46 -11.293 -10.809 10.792 1.00 0.00 C ATOM 682 CD PRO A 46 -11.654 -9.446 10.269 1.00 0.00 C ATOM 0 HA PRO A 46 -8.399 -9.319 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.398 -11.802 10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.545 -10.419 11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.590 -11.588 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.806 -11.015 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.502 -9.489 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.928 -8.766 11.075 1.00 0.00 H new ATOM 690 N ASP A 47 -9.833 -11.379 8.042 1.00 0.00 N ATOM 691 CA ASP A 47 -9.563 -12.203 6.869 1.00 0.00 C ATOM 692 C ASP A 47 -9.148 -11.339 5.682 1.00 0.00 C ATOM 693 O ASP A 47 -9.962 -10.605 5.122 1.00 0.00 O ATOM 694 CB ASP A 47 -10.797 -13.031 6.507 1.00 0.00 C ATOM 695 CG ASP A 47 -11.282 -13.884 7.663 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.431 -13.342 8.778 1.00 0.00 O ATOM 697 OD2 ASP A 47 -11.513 -15.092 7.452 1.00 0.00 O ATOM 0 H ASP A 47 -10.810 -11.368 8.334 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.741 -12.877 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.599 -12.364 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.563 -13.674 5.658 1.00 0.00 H new ATOM 702 N TRP A 48 -7.879 -11.432 5.305 1.00 0.00 N ATOM 703 CA TRP A 48 -7.356 -10.658 4.185 1.00 0.00 C ATOM 704 C TRP A 48 -8.322 -10.685 3.006 1.00 0.00 C ATOM 705 O TRP A 48 -8.839 -9.648 2.590 1.00 0.00 O ATOM 706 CB TRP A 48 -5.992 -11.201 3.755 1.00 0.00 C ATOM 707 CG TRP A 48 -5.430 -10.511 2.550 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.048 -11.093 1.375 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.186 -9.108 2.402 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.581 -10.137 0.506 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.656 -8.911 1.112 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.365 -7.999 3.233 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.304 -7.650 0.636 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.015 -6.748 2.760 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.490 -6.582 1.471 1.00 0.00 C ATOM 0 H TRP A 48 -7.193 -12.035 5.758 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.241 -9.625 4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.291 -11.098 4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.083 -12.267 3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.105 -12.150 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.235 -10.312 -0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.770 -8.117 4.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.899 -7.520 -0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.148 -5.884 3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.227 -5.592 1.130 1.00 0.00 H new ATOM 726 N THR A 49 -8.563 -11.878 2.471 1.00 0.00 N ATOM 727 CA THR A 49 -9.466 -12.040 1.339 1.00 0.00 C ATOM 728 C THR A 49 -10.721 -11.191 1.511 1.00 0.00 C ATOM 729 O THR A 49 -11.384 -10.839 0.536 1.00 0.00 O ATOM 730 CB THR A 49 -9.878 -13.513 1.155 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.789 -14.373 1.505 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.302 -13.781 -0.281 1.00 0.00 C ATOM 0 H THR A 49 -8.145 -12.747 2.804 1.00 0.00 H new ATOM 0 HA THR A 49 -8.925 -11.708 0.453 1.00 0.00 H new ATOM 0 HB THR A 49 -10.725 -13.715 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.059 -15.308 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.588 -14.827 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.150 -13.145 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.472 -13.563 -0.952 1.00 0.00 H new ATOM 740 N THR A 50 -11.042 -10.864 2.760 1.00 0.00 N ATOM 741 CA THR A 50 -12.217 -10.057 3.060 1.00 0.00 C ATOM 742 C THR A 50 -11.850 -8.584 3.206 1.00 0.00 C ATOM 743 O THR A 50 -12.610 -7.702 2.806 1.00 0.00 O ATOM 744 CB THR A 50 -12.910 -10.532 4.351 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.392 -11.870 4.184 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.067 -9.613 4.714 1.00 0.00 C ATOM 0 H THR A 50 -10.504 -11.146 3.579 1.00 0.00 H new ATOM 0 HA THR A 50 -12.904 -10.176 2.222 1.00 0.00 H new ATOM 0 HB THR A 50 -12.179 -10.507 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.830 -12.165 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.541 -9.969 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.693 -8.601 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.797 -9.610 3.905 1.00 0.00 H new ATOM 754 N ARG A 51 -10.680 -8.325 3.782 1.00 0.00 N ATOM 755 CA ARG A 51 -10.213 -6.959 3.981 1.00 0.00 C ATOM 756 C ARG A 51 -9.854 -6.307 2.649 1.00 0.00 C ATOM 757 O ARG A 51 -10.369 -5.242 2.308 1.00 0.00 O ATOM 758 CB ARG A 51 -8.999 -6.943 4.912 1.00 0.00 C ATOM 759 CG ARG A 51 -8.403 -5.559 5.112 1.00 0.00 C ATOM 760 CD ARG A 51 -7.510 -5.510 6.342 1.00 0.00 C ATOM 761 NE ARG A 51 -6.493 -6.558 6.322 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.363 -6.500 7.018 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.107 -5.450 7.786 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.487 -7.494 6.948 1.00 0.00 N ATOM 0 H ARG A 51 -10.039 -9.043 4.119 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.021 -6.389 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.290 -7.348 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.233 -7.604 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.826 -5.279 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.205 -4.828 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.025 -4.535 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.121 -5.615 7.238 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.660 -7.380 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.778 -4.684 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.239 -5.408 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.681 -8.304 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.620 -7.448 7.483 1.00 0.00 H new ATOM 778 N VAL A 52 -8.968 -6.954 1.899 1.00 0.00 N ATOM 779 CA VAL A 52 -8.540 -6.438 0.604 1.00 0.00 C ATOM 780 C VAL A 52 -9.716 -5.850 -0.168 1.00 0.00 C ATOM 781 O VAL A 52 -9.630 -4.745 -0.704 1.00 0.00 O ATOM 782 CB VAL A 52 -7.880 -7.538 -0.248 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.878 -8.641 -0.564 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.303 -6.948 -1.526 1.00 0.00 C ATOM 0 H VAL A 52 -8.532 -7.837 2.166 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.809 -5.654 0.801 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.062 -7.975 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.393 -9.409 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.238 -9.083 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.719 -8.223 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.841 -7.740 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.101 -6.483 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.553 -6.198 -1.274 1.00 0.00 H new ATOM 794 N LYS A 53 -10.814 -6.595 -0.221 1.00 0.00 N ATOM 795 CA LYS A 53 -12.010 -6.148 -0.927 1.00 0.00 C ATOM 796 C LYS A 53 -12.417 -4.750 -0.474 1.00 0.00 C ATOM 797 O LYS A 53 -12.801 -3.912 -1.289 1.00 0.00 O ATOM 798 CB LYS A 53 -13.162 -7.128 -0.692 1.00 0.00 C ATOM 799 CG LYS A 53 -12.889 -8.526 -1.220 1.00 0.00 C ATOM 800 CD LYS A 53 -13.853 -9.542 -0.632 1.00 0.00 C ATOM 801 CE LYS A 53 -14.056 -10.724 -1.568 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.739 -10.323 -2.828 1.00 0.00 N ATOM 0 H LYS A 53 -10.901 -7.512 0.217 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.782 -6.114 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.366 -7.186 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.062 -6.738 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.974 -8.529 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.865 -8.813 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.471 -9.896 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.812 -9.063 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.090 -11.170 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.645 -11.490 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.244 -11.141 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.418 -9.561 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.033 -9.986 -3.514 1.00 0.00 H new ATOM 816 N GLN A 54 -12.330 -4.506 0.830 1.00 0.00 N ATOM 817 CA GLN A 54 -12.689 -3.208 1.389 1.00 0.00 C ATOM 818 C GLN A 54 -11.791 -2.108 0.833 1.00 0.00 C ATOM 819 O GLN A 54 -12.270 -1.156 0.217 1.00 0.00 O ATOM 820 CB GLN A 54 -12.589 -3.242 2.915 1.00 0.00 C ATOM 821 CG GLN A 54 -13.543 -4.230 3.566 1.00 0.00 C ATOM 822 CD GLN A 54 -14.971 -3.722 3.606 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.879 -4.344 3.053 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.178 -2.586 4.261 1.00 0.00 N ATOM 0 H GLN A 54 -12.014 -5.189 1.518 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.718 -2.990 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.567 -3.496 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.790 -2.245 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.512 -5.173 3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.207 -4.439 4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.397 -2.103 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.119 -2.196 4.321 1.00 0.00 H new ATOM 833 N ILE A 55 -10.488 -2.246 1.055 1.00 0.00 N ATOM 834 CA ILE A 55 -9.524 -1.264 0.575 1.00 0.00 C ATOM 835 C ILE A 55 -9.907 -0.747 -0.808 1.00 0.00 C ATOM 836 O ILE A 55 -9.708 0.426 -1.120 1.00 0.00 O ATOM 837 CB ILE A 55 -8.103 -1.853 0.515 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.633 -2.254 1.915 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.140 -0.852 -0.106 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.467 -3.217 1.909 1.00 0.00 C ATOM 0 H ILE A 55 -10.076 -3.028 1.564 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.536 -0.437 1.285 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.122 -2.745 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.350 -1.357 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.466 -2.708 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.140 -1.283 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.467 -0.611 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.122 0.057 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.188 -3.457 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.752 -4.131 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.619 -2.759 1.400 1.00 0.00 H new ATOM 852 N ALA A 56 -10.460 -1.632 -1.631 1.00 0.00 N ATOM 853 CA ALA A 56 -10.875 -1.265 -2.979 1.00 0.00 C ATOM 854 C ALA A 56 -12.023 -0.262 -2.947 1.00 0.00 C ATOM 855 O ALA A 56 -11.916 0.838 -3.489 1.00 0.00 O ATOM 856 CB ALA A 56 -11.277 -2.505 -3.764 1.00 0.00 C ATOM 0 H ALA A 56 -10.631 -2.608 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.028 -0.792 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.585 -2.216 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.429 -3.187 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.106 -3.002 -3.260 1.00 0.00 H new ATOM 862 N LYS A 57 -13.122 -0.648 -2.308 1.00 0.00 N ATOM 863 CA LYS A 57 -14.291 0.217 -2.203 1.00 0.00 C ATOM 864 C LYS A 57 -13.921 1.558 -1.579 1.00 0.00 C ATOM 865 O LYS A 57 -14.248 2.617 -2.117 1.00 0.00 O ATOM 866 CB LYS A 57 -15.380 -0.462 -1.370 1.00 0.00 C ATOM 867 CG LYS A 57 -15.292 -0.155 0.114 1.00 0.00 C ATOM 868 CD LYS A 57 -16.455 -0.761 0.880 1.00 0.00 C ATOM 869 CE LYS A 57 -16.408 -0.388 2.354 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.028 0.941 2.610 1.00 0.00 N ATOM 0 H LYS A 57 -13.228 -1.555 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.671 0.397 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.356 -0.149 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.316 -1.541 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.353 -0.541 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.281 0.925 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.395 -0.419 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.433 -1.846 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.926 -1.149 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.372 -0.377 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.976 1.158 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.518 1.671 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.024 0.923 2.310 1.00 0.00 H new ATOM 884 N LEU A 58 -13.236 1.507 -0.441 1.00 0.00 N ATOM 885 CA LEU A 58 -12.820 2.719 0.256 1.00 0.00 C ATOM 886 C LEU A 58 -11.933 3.583 -0.636 1.00 0.00 C ATOM 887 O LEU A 58 -12.001 4.811 -0.591 1.00 0.00 O ATOM 888 CB LEU A 58 -12.073 2.360 1.542 1.00 0.00 C ATOM 889 CG LEU A 58 -12.854 1.530 2.562 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.905 0.847 3.533 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.850 2.404 3.311 1.00 0.00 C ATOM 0 H LEU A 58 -12.957 0.640 0.018 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.714 3.288 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.170 1.812 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.754 3.284 2.023 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.409 0.760 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.479 0.261 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.233 0.189 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.322 1.600 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.397 1.797 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.316 3.197 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.551 2.845 2.603 1.00 0.00 H new ATOM 903 N TRP A 59 -11.105 2.933 -1.445 1.00 0.00 N ATOM 904 CA TRP A 59 -10.206 3.642 -2.349 1.00 0.00 C ATOM 905 C TRP A 59 -10.992 4.400 -3.414 1.00 0.00 C ATOM 906 O TRP A 59 -10.816 5.606 -3.587 1.00 0.00 O ATOM 907 CB TRP A 59 -9.239 2.661 -3.013 1.00 0.00 C ATOM 908 CG TRP A 59 -8.313 3.312 -3.995 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.283 3.118 -5.346 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.282 4.262 -3.702 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.296 3.889 -5.911 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.668 4.601 -4.923 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.820 4.860 -2.526 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.616 5.509 -5.000 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.775 5.761 -2.604 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.183 6.080 -3.834 1.00 0.00 C ATOM 0 H TRP A 59 -11.037 1.916 -1.494 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.636 4.363 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.649 2.165 -2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.812 1.887 -3.523 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.939 2.455 -5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.068 3.925 -6.904 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.271 4.622 -1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.157 5.754 -5.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.408 6.227 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.370 6.790 -3.862 1.00 0.00 H new ATOM 927 N ARG A 60 -11.858 3.685 -4.124 1.00 0.00 N ATOM 928 CA ARG A 60 -12.670 4.291 -5.173 1.00 0.00 C ATOM 929 C ARG A 60 -13.498 5.447 -4.620 1.00 0.00 C ATOM 930 O ARG A 60 -13.601 6.505 -5.242 1.00 0.00 O ATOM 931 CB ARG A 60 -13.591 3.245 -5.802 1.00 0.00 C ATOM 932 CG ARG A 60 -12.847 2.092 -6.456 1.00 0.00 C ATOM 933 CD ARG A 60 -13.795 1.176 -7.214 1.00 0.00 C ATOM 934 NE ARG A 60 -13.225 -0.154 -7.417 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.953 -1.231 -7.690 1.00 0.00 C ATOM 936 NH1 ARG A 60 -15.271 -1.137 -7.792 1.00 0.00 N ATOM 937 NH2 ARG A 60 -13.361 -2.407 -7.861 1.00 0.00 N ATOM 0 H ARG A 60 -12.016 2.686 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.999 4.681 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.255 2.849 -5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.221 3.730 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.094 2.484 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.318 1.520 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.732 1.089 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.033 1.620 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.213 -0.261 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.730 -0.235 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.827 -1.966 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.347 -2.484 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.920 -3.234 -8.071 1.00 0.00 H new ATOM 951 N LYS A 61 -14.087 5.238 -3.448 1.00 0.00 N ATOM 952 CA LYS A 61 -14.906 6.261 -2.809 1.00 0.00 C ATOM 953 C LYS A 61 -14.182 7.604 -2.789 1.00 0.00 C ATOM 954 O LYS A 61 -14.779 8.646 -3.054 1.00 0.00 O ATOM 955 CB LYS A 61 -15.264 5.841 -1.382 1.00 0.00 C ATOM 956 CG LYS A 61 -16.030 6.901 -0.609 1.00 0.00 C ATOM 957 CD LYS A 61 -16.162 6.534 0.859 1.00 0.00 C ATOM 958 CE LYS A 61 -17.380 5.658 1.108 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.651 6.420 0.957 1.00 0.00 N ATOM 0 H LYS A 61 -14.012 4.368 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.822 6.371 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.860 4.929 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.348 5.601 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.519 7.860 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.021 7.025 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.263 6.011 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.238 7.442 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.374 4.820 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.326 5.237 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.418 5.917 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.539 7.368 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.885 6.508 -0.052 1.00 0.00 H new ATOM 973 N ALA A 62 -12.891 7.569 -2.473 1.00 0.00 N ATOM 974 CA ALA A 62 -12.085 8.782 -2.422 1.00 0.00 C ATOM 975 C ALA A 62 -11.906 9.382 -3.812 1.00 0.00 C ATOM 976 O ALA A 62 -11.420 8.717 -4.727 1.00 0.00 O ATOM 977 CB ALA A 62 -10.731 8.490 -1.792 1.00 0.00 C ATOM 0 H ALA A 62 -12.382 6.714 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.610 9.512 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.139 9.405 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.874 8.115 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.208 7.740 -2.385 1.00 0.00 H new ATOM 983 N SER A 63 -12.301 10.642 -3.964 1.00 0.00 N ATOM 984 CA SER A 63 -12.188 11.329 -5.245 1.00 0.00 C ATOM 985 C SER A 63 -10.742 11.340 -5.730 1.00 0.00 C ATOM 986 O SER A 63 -9.807 11.313 -4.930 1.00 0.00 O ATOM 987 CB SER A 63 -12.708 12.763 -5.126 1.00 0.00 C ATOM 988 OG SER A 63 -14.111 12.781 -4.923 1.00 0.00 O ATOM 0 H SER A 63 -12.702 11.208 -3.216 1.00 0.00 H new ATOM 0 HA SER A 63 -12.793 10.789 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.211 13.266 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.461 13.319 -6.030 1.00 0.00 H new ATOM 0 HG SER A 63 -14.419 13.708 -4.848 1.00 0.00 H new ATOM 994 N SER A 64 -10.566 11.379 -7.047 1.00 0.00 N ATOM 995 CA SER A 64 -9.234 11.389 -7.641 1.00 0.00 C ATOM 996 C SER A 64 -8.339 12.412 -6.950 1.00 0.00 C ATOM 997 O SER A 64 -7.186 12.127 -6.629 1.00 0.00 O ATOM 998 CB SER A 64 -9.322 11.699 -9.137 1.00 0.00 C ATOM 999 OG SER A 64 -10.404 11.010 -9.738 1.00 0.00 O ATOM 0 H SER A 64 -11.329 11.404 -7.723 1.00 0.00 H new ATOM 0 HA SER A 64 -8.796 10.400 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.445 12.772 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.390 11.415 -9.626 1.00 0.00 H new ATOM 0 HG SER A 64 -10.439 11.226 -10.693 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.880 13.605 -6.723 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.130 14.672 -6.071 1.00 0.00 C ATOM 1007 C GLN A 65 -7.636 14.228 -4.698 1.00 0.00 C ATOM 1008 O GLN A 65 -6.623 14.723 -4.203 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.998 15.924 -5.933 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.183 16.683 -7.237 1.00 0.00 C ATOM 1011 CD GLN A 65 -9.595 15.781 -8.384 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -8.768 15.385 -9.206 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -10.880 15.451 -8.445 1.00 0.00 N ATOM 0 H GLN A 65 -9.834 13.857 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.265 14.905 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.976 15.637 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.547 16.589 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.938 17.457 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.252 17.189 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.531 15.802 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.216 14.846 -9.195 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.357 13.294 -4.088 1.00 0.00 N ATOM 1023 CA GLU A 66 -7.991 12.785 -2.771 1.00 0.00 C ATOM 1024 C GLU A 66 -6.821 11.811 -2.870 1.00 0.00 C ATOM 1025 O GLU A 66 -5.951 11.779 -1.999 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.189 12.094 -2.115 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.896 11.557 -0.725 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.276 12.599 0.185 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.101 12.958 -0.038 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -8.966 13.057 1.120 1.00 0.00 O ATOM 0 H GLU A 66 -9.198 12.874 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.686 13.631 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.017 12.800 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.517 11.272 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.821 11.194 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.223 10.703 -0.804 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.806 11.019 -3.937 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.744 10.044 -4.150 1.00 0.00 C ATOM 1039 C ARG A 67 -4.487 10.718 -4.694 1.00 0.00 C ATOM 1040 O ARG A 67 -3.387 10.175 -4.594 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.210 8.953 -5.116 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.625 8.467 -4.849 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.239 7.834 -6.087 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.237 7.179 -6.923 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.497 6.670 -8.121 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.723 6.740 -8.623 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.531 6.088 -8.821 1.00 0.00 N ATOM 0 H ARG A 67 -7.518 11.034 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.504 9.590 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.152 9.334 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.526 8.107 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.614 7.742 -4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.243 9.304 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.992 7.105 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.752 8.600 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.284 7.109 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.468 7.186 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.920 6.348 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.587 6.031 -8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.733 5.697 -9.741 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.660 11.903 -5.269 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.541 12.651 -5.828 1.00 0.00 C ATOM 1063 C ALA A 68 -2.268 12.419 -5.020 1.00 0.00 C ATOM 1064 O ALA A 68 -1.249 11.964 -5.540 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.872 14.135 -5.880 1.00 0.00 C ATOM 0 H ALA A 68 -5.564 12.366 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.367 12.293 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.027 14.682 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.751 14.290 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.075 14.498 -4.872 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.325 12.741 -3.719 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.185 12.576 -2.813 1.00 0.00 C ATOM 1073 C PRO A 69 -0.870 11.109 -2.538 1.00 0.00 C ATOM 1074 O PRO A 69 0.273 10.673 -2.676 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.647 13.273 -1.531 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.135 13.206 -1.579 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.507 13.289 -3.033 1.00 0.00 C ATOM 0 HA PRO A 69 -0.268 12.989 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.256 12.772 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.298 14.305 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.498 12.279 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.581 14.025 -1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.404 12.709 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.709 14.316 -3.338 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.890 10.353 -2.148 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.722 8.936 -1.851 1.00 0.00 C ATOM 1087 C TYR A 70 -1.214 8.180 -3.075 1.00 0.00 C ATOM 1088 O TYR A 70 -0.743 7.047 -2.969 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.045 8.332 -1.378 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.619 9.013 -0.156 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -2.997 8.906 1.081 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.785 9.764 -0.240 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.518 9.526 2.200 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.313 10.390 0.873 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.676 10.268 2.091 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.200 10.888 3.202 1.00 0.00 O ATOM 0 H TYR A 70 -2.843 10.698 -2.030 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.983 8.843 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.771 8.388 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.894 7.275 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.089 8.327 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.287 9.860 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.022 9.430 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.219 10.972 0.790 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.016 11.370 2.953 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.312 8.816 -4.238 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.861 8.206 -5.483 1.00 0.00 C ATOM 1108 C VAL A 71 0.629 8.442 -5.703 1.00 0.00 C ATOM 1109 O VAL A 71 1.339 7.568 -6.200 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.640 8.757 -6.692 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.105 8.165 -7.987 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.127 8.473 -6.541 1.00 0.00 C ATOM 0 H VAL A 71 -1.700 9.753 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.048 7.136 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.501 9.837 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.668 8.566 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.052 8.424 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.212 7.080 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.663 8.869 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.287 7.397 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.498 8.950 -5.634 1.00 0.00 H new ATOM 1122 N GLN A 72 1.096 9.629 -5.329 1.00 0.00 N ATOM 1123 CA GLN A 72 2.503 9.979 -5.485 1.00 0.00 C ATOM 1124 C GLN A 72 3.329 9.448 -4.319 1.00 0.00 C ATOM 1125 O GLN A 72 4.432 8.934 -4.508 1.00 0.00 O ATOM 1126 CB GLN A 72 2.663 11.497 -5.590 1.00 0.00 C ATOM 1127 CG GLN A 72 4.095 11.972 -5.400 1.00 0.00 C ATOM 1128 CD GLN A 72 4.986 11.626 -6.577 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.357 12.496 -7.365 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.334 10.351 -6.701 1.00 0.00 N ATOM 0 H GLN A 72 0.521 10.364 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 72 2.867 9.518 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.307 11.825 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.029 11.974 -4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.099 13.052 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.505 11.524 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.003 9.664 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.933 10.059 -7.473 1.00 0.00 H new ATOM 1139 N LYS A 73 2.790 9.576 -3.111 1.00 0.00 N ATOM 1140 CA LYS A 73 3.476 9.108 -1.913 1.00 0.00 C ATOM 1141 C LYS A 73 3.901 7.651 -2.062 1.00 0.00 C ATOM 1142 O LYS A 73 5.051 7.300 -1.803 1.00 0.00 O ATOM 1143 CB LYS A 73 2.570 9.264 -0.689 1.00 0.00 C ATOM 1144 CG LYS A 73 3.309 9.142 0.633 1.00 0.00 C ATOM 1145 CD LYS A 73 2.496 9.718 1.781 1.00 0.00 C ATOM 1146 CE LYS A 73 2.828 9.033 3.098 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.273 9.775 4.264 1.00 0.00 N ATOM 0 H LYS A 73 1.879 10.000 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 73 4.370 9.716 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.078 10.236 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.786 8.508 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.530 8.093 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.265 9.662 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.692 10.787 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.433 9.604 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.430 8.018 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.910 8.950 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.521 9.277 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.672 10.735 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.238 9.832 4.178 1.00 0.00 H new ATOM 1161 N ALA A 74 2.965 6.807 -2.484 1.00 0.00 N ATOM 1162 CA ALA A 74 3.244 5.389 -2.672 1.00 0.00 C ATOM 1163 C ALA A 74 4.534 5.182 -3.459 1.00 0.00 C ATOM 1164 O ALA A 74 5.397 4.401 -3.060 1.00 0.00 O ATOM 1165 CB ALA A 74 2.079 4.710 -3.377 1.00 0.00 C ATOM 0 H ALA A 74 2.007 7.081 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 74 3.373 4.937 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.302 3.651 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.177 4.818 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.923 5.174 -4.351 1.00 0.00 H new ATOM 1171 N ARG A 75 4.657 5.887 -4.579 1.00 0.00 N ATOM 1172 CA ARG A 75 5.840 5.779 -5.423 1.00 0.00 C ATOM 1173 C ARG A 75 7.092 6.202 -4.660 1.00 0.00 C ATOM 1174 O ARG A 75 8.114 5.516 -4.695 1.00 0.00 O ATOM 1175 CB ARG A 75 5.679 6.640 -6.677 1.00 0.00 C ATOM 1176 CG ARG A 75 4.546 6.188 -7.585 1.00 0.00 C ATOM 1177 CD ARG A 75 4.098 7.305 -8.515 1.00 0.00 C ATOM 1178 NE ARG A 75 5.085 7.579 -9.556 1.00 0.00 N ATOM 1179 CZ ARG A 75 5.222 6.841 -10.651 1.00 0.00 C ATOM 1180 NH1 ARG A 75 4.440 5.789 -10.848 1.00 0.00 N ATOM 1181 NH2 ARG A 75 6.144 7.155 -11.553 1.00 0.00 N ATOM 0 H ARG A 75 3.952 6.539 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 75 5.950 4.736 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.503 7.673 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.612 6.625 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.871 5.331 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.702 5.857 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.149 7.033 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.922 8.211 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 75 5.703 8.381 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.730 5.544 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.548 5.224 -11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.748 7.964 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.249 6.588 -12.394 1.00 0.00 H new ATOM 1195 N ASP A 76 7.005 7.336 -3.974 1.00 0.00 N ATOM 1196 CA ASP A 76 8.131 7.851 -3.202 1.00 0.00 C ATOM 1197 C ASP A 76 8.529 6.871 -2.102 1.00 0.00 C ATOM 1198 O ASP A 76 9.710 6.713 -1.796 1.00 0.00 O ATOM 1199 CB ASP A 76 7.779 9.208 -2.590 1.00 0.00 C ATOM 1200 CG ASP A 76 9.001 10.074 -2.362 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.658 9.910 -1.312 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.303 10.916 -3.233 1.00 0.00 O ATOM 0 H ASP A 76 6.167 7.916 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 76 8.977 7.974 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.084 9.731 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.265 9.053 -1.641 1.00 0.00 H new ATOM 1207 N ASN A 77 7.534 6.216 -1.512 1.00 0.00 N ATOM 1208 CA ASN A 77 7.781 5.253 -0.445 1.00 0.00 C ATOM 1209 C ASN A 77 8.717 4.144 -0.918 1.00 0.00 C ATOM 1210 O ASN A 77 9.496 3.600 -0.136 1.00 0.00 O ATOM 1211 CB ASN A 77 6.462 4.649 0.041 1.00 0.00 C ATOM 1212 CG ASN A 77 5.847 5.443 1.178 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.555 6.070 1.966 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.522 5.418 1.268 1.00 0.00 N ATOM 0 H ASN A 77 6.550 6.334 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 77 8.259 5.779 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.758 4.604 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.634 3.624 0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.052 5.932 2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.975 4.885 0.592 1.00 0.00 H new ATOM 1221 N ARG A 78 8.633 3.816 -2.203 1.00 0.00 N ATOM 1222 CA ARG A 78 9.471 2.772 -2.781 1.00 0.00 C ATOM 1223 C ARG A 78 10.934 3.206 -2.814 1.00 0.00 C ATOM 1224 O ARG A 78 11.838 2.391 -2.632 1.00 0.00 O ATOM 1225 CB ARG A 78 8.997 2.431 -4.194 1.00 0.00 C ATOM 1226 CG ARG A 78 7.646 1.736 -4.232 1.00 0.00 C ATOM 1227 CD ARG A 78 7.196 1.469 -5.660 1.00 0.00 C ATOM 1228 NE ARG A 78 7.922 0.354 -6.263 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.513 -0.284 -7.354 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.391 0.081 -7.959 1.00 0.00 N ATOM 1231 NH2 ARG A 78 8.228 -1.289 -7.842 1.00 0.00 N ATOM 0 H ARG A 78 7.994 4.258 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 78 9.387 1.885 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.941 3.348 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.739 1.791 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.705 0.794 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.904 2.353 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.128 1.253 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.345 2.366 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 78 8.790 0.049 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.839 0.854 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.080 -0.411 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.092 -1.572 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.914 -1.779 -8.680 1.00 0.00 H new ATOM 1245 N ALA A 79 11.158 4.495 -3.049 1.00 0.00 N ATOM 1246 CA ALA A 79 12.510 5.037 -3.106 1.00 0.00 C ATOM 1247 C ALA A 79 13.179 4.986 -1.736 1.00 0.00 C ATOM 1248 O ALA A 79 14.306 4.510 -1.603 1.00 0.00 O ATOM 1249 CB ALA A 79 12.484 6.465 -3.630 1.00 0.00 C ATOM 0 H ALA A 79 10.421 5.183 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 79 13.094 4.421 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.500 6.857 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.053 6.477 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.880 7.085 -2.967 1.00 0.00 H new ATOM 1255 N ALA A 80 12.478 5.480 -0.721 1.00 0.00 N ATOM 1256 CA ALA A 80 13.004 5.489 0.638 1.00 0.00 C ATOM 1257 C ALA A 80 13.735 4.188 0.952 1.00 0.00 C ATOM 1258 O ALA A 80 14.690 4.173 1.731 1.00 0.00 O ATOM 1259 CB ALA A 80 11.880 5.720 1.638 1.00 0.00 C ATOM 0 H ALA A 80 11.544 5.879 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 80 13.720 6.307 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.288 5.724 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.404 6.679 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.143 4.922 1.547 1.00 0.00 H new