USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 100 TYR OH : rot -9:sc= 0.957 USER MOD Set 1.2: A 117 HIS :FLIP no HD1:sc= 0.567 F(o=-1,f=1.5) USER MOD Set 2.1: A 94 ASN : amide:sc= 0.513 K(o=1.8,f=-2.6) USER MOD Set 2.2: A 96 THR OG1 : rot -119:sc= 1.25 USER MOD Set 3.1: A 87 TYR OH : rot 180:sc= 0.906 USER MOD Set 3.2: A 92 LYS NZ :NH3+ -163:sc= 0.693 (180deg=0) USER MOD Set 4.1: A 89 ASN : amide:sc= 0.333 K(o=-16,f=-37!) USER MOD Set 4.2: B 233 LYS NZ :NH3+ -146:sc= -14.1! (180deg=-16.5!) USER MOD Set 4.3: B 234 ASN : amide:sc= -2.35! C(o=-16!,f=-40!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 62 THR OG1 : rot -50:sc= 0.589! USER MOD Single : A 63 THR OG1 : rot 60:sc= 1.46 USER MOD Single : A 66 GLN : amide:sc= -0.578 K(o=-0.58,f=-6!) USER MOD Single : A 69 THR OG1 : rot 115:sc= 1.22 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 89:sc= -1.71! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -155:sc= -1.36! USER MOD Single : A 98 ASN : amide:sc= 0.094 K(o=0.094,f=-0.49) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 114 ASN : amide:sc= -0.63 K(o=-0.63,f=-3!) USER MOD Single : A 115 TYR OH : rot -123:sc= 0.0782 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 232 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.4) USER MOD Single : B 236 LYS NZ :NH3+ 178:sc= 0.733 (180deg=0.69) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -16.781 -4.355 0.854 1.00 0.00 N ATOM 230 CA TYR A 59 -16.179 -3.585 -0.230 1.00 0.00 C ATOM 231 C TYR A 59 -14.819 -3.016 0.163 1.00 0.00 C ATOM 232 O TYR A 59 -14.593 -2.640 1.313 1.00 0.00 O ATOM 233 CB TYR A 59 -17.109 -2.447 -0.650 1.00 0.00 C ATOM 234 CG TYR A 59 -17.778 -2.673 -1.985 1.00 0.00 C ATOM 235 CD1 TYR A 59 -18.973 -3.377 -2.074 1.00 0.00 C ATOM 236 CD2 TYR A 59 -17.214 -2.187 -3.156 1.00 0.00 C ATOM 237 CE1 TYR A 59 -19.586 -3.588 -3.294 1.00 0.00 C ATOM 238 CE2 TYR A 59 -17.823 -2.393 -4.379 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.006 -3.094 -4.442 1.00 0.00 C ATOM 240 OH TYR A 59 -19.611 -3.302 -5.658 1.00 0.00 O ATOM 0 HA TYR A 59 -16.029 -4.266 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -17.876 -2.315 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.538 -1.519 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -19.430 -3.765 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.284 -1.639 -3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.515 -4.137 -3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -17.373 -2.006 -5.281 1.00 0.00 H new ATOM 0 HH TYR A 59 -19.074 -2.888 -6.366 1.00 0.00 H new ATOM 250 N CYS A 60 -13.931 -2.939 -0.821 1.00 0.00 N ATOM 251 CA CYS A 60 -12.589 -2.395 -0.623 1.00 0.00 C ATOM 252 C CYS A 60 -12.263 -1.402 -1.740 1.00 0.00 C ATOM 253 O CYS A 60 -12.775 -1.518 -2.856 1.00 0.00 O ATOM 254 CB CYS A 60 -11.535 -3.514 -0.582 1.00 0.00 C ATOM 255 SG CYS A 60 -12.089 -5.042 0.253 1.00 0.00 S ATOM 0 H CYS A 60 -14.117 -3.250 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.566 -1.879 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.242 -3.758 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.645 -3.140 -0.076 1.00 0.00 H new ATOM 260 N ASN A 61 -11.424 -0.419 -1.438 1.00 0.00 N ATOM 261 CA ASN A 61 -11.047 0.592 -2.423 1.00 0.00 C ATOM 262 C ASN A 61 -9.731 1.267 -2.041 1.00 0.00 C ATOM 263 O ASN A 61 -9.166 0.960 -0.990 1.00 0.00 O ATOM 264 CB ASN A 61 -12.165 1.632 -2.559 1.00 0.00 C ATOM 265 CG ASN A 61 -12.782 2.020 -1.224 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.991 2.623 -0.348 1.00 0.00 O flip ATOM 267 ND2 ASN A 61 -13.963 1.782 -0.986 1.00 0.00 N flip ATOM 0 H ASN A 61 -10.992 -0.299 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.902 0.099 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.767 2.524 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.944 1.237 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.540 1.316 -1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.367 2.050 -0.088 1.00 0.00 H new ATOM 274 N THR A 62 -9.257 2.187 -2.903 1.00 0.00 N ATOM 275 CA THR A 62 -7.999 2.931 -2.670 1.00 0.00 C ATOM 276 C THR A 62 -7.638 2.937 -1.183 1.00 0.00 C ATOM 277 O THR A 62 -8.172 3.729 -0.403 1.00 0.00 O ATOM 278 CB THR A 62 -8.109 4.375 -3.214 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.532 5.316 -2.327 1.00 0.00 O ATOM 280 CG2 THR A 62 -9.528 4.829 -3.477 1.00 0.00 C ATOM 0 H THR A 62 -9.728 2.435 -3.773 1.00 0.00 H new ATOM 0 HA THR A 62 -7.199 2.424 -3.210 1.00 0.00 H new ATOM 0 HB THR A 62 -7.569 4.338 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.880 5.169 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.519 5.851 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.989 4.172 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.100 4.791 -2.550 1.00 0.00 H new ATOM 288 N THR A 63 -6.766 2.010 -0.802 1.00 0.00 N ATOM 289 CA THR A 63 -6.359 1.847 0.590 1.00 0.00 C ATOM 290 C THR A 63 -4.875 2.145 0.783 1.00 0.00 C ATOM 291 O THR A 63 -4.061 1.898 -0.105 1.00 0.00 O ATOM 292 CB THR A 63 -6.650 0.408 1.031 1.00 0.00 C ATOM 293 OG1 THR A 63 -8.040 0.109 0.962 1.00 0.00 O ATOM 294 CG2 THR A 63 -6.194 0.101 2.437 1.00 0.00 C ATOM 0 H THR A 63 -6.323 1.353 -1.445 1.00 0.00 H new ATOM 0 HA THR A 63 -6.924 2.556 1.195 1.00 0.00 H new ATOM 0 HB THR A 63 -6.082 -0.208 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.351 0.212 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.433 -0.935 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.117 0.252 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.702 0.764 3.137 1.00 0.00 H new ATOM 302 N LEU A 64 -4.529 2.647 1.964 1.00 0.00 N ATOM 303 CA LEU A 64 -3.138 2.949 2.290 1.00 0.00 C ATOM 304 C LEU A 64 -2.525 1.824 3.132 1.00 0.00 C ATOM 305 O LEU A 64 -3.208 0.869 3.511 1.00 0.00 O ATOM 306 CB LEU A 64 -3.044 4.283 3.033 1.00 0.00 C ATOM 307 CG LEU A 64 -1.914 5.204 2.569 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.478 6.467 1.940 1.00 0.00 C ATOM 309 CD2 LEU A 64 -1.001 5.551 3.731 1.00 0.00 C ATOM 0 H LEU A 64 -5.192 2.854 2.711 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.575 3.028 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.991 4.811 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.914 4.081 4.096 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.329 4.677 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.659 7.109 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.093 6.202 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.087 6.997 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.203 6.207 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.575 6.058 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.568 4.638 4.139 1.00 0.00 H new ATOM 321 N ASP A 65 -1.230 1.935 3.414 1.00 0.00 N ATOM 322 CA ASP A 65 -0.533 0.922 4.199 1.00 0.00 C ATOM 323 C ASP A 65 0.616 1.529 5.019 1.00 0.00 C ATOM 324 O ASP A 65 1.112 2.610 4.699 1.00 0.00 O ATOM 325 CB ASP A 65 -0.009 -0.170 3.269 1.00 0.00 C ATOM 326 CG ASP A 65 0.947 -1.106 3.964 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.563 -1.643 5.023 1.00 0.00 O ATOM 328 OD2 ASP A 65 2.079 -1.284 3.462 1.00 0.00 O ATOM 0 H ASP A 65 -0.644 2.713 3.112 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.240 0.490 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.849 -0.741 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.492 0.291 2.418 1.00 0.00 H new ATOM 333 N GLN A 66 1.044 0.814 6.068 1.00 0.00 N ATOM 334 CA GLN A 66 2.141 1.268 6.929 1.00 0.00 C ATOM 335 C GLN A 66 3.394 1.607 6.112 1.00 0.00 C ATOM 336 O GLN A 66 4.060 2.611 6.365 1.00 0.00 O ATOM 337 CB GLN A 66 2.471 0.203 7.980 1.00 0.00 C ATOM 338 CG GLN A 66 3.009 0.782 9.285 1.00 0.00 C ATOM 339 CD GLN A 66 1.912 1.153 10.266 1.00 0.00 C ATOM 340 OE1 GLN A 66 1.492 0.336 11.080 1.00 0.00 O ATOM 341 NE2 GLN A 66 1.444 2.390 10.197 1.00 0.00 N ATOM 0 H GLN A 66 0.645 -0.084 6.340 1.00 0.00 H new ATOM 0 HA GLN A 66 1.811 2.177 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.573 -0.377 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.207 -0.487 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.675 0.056 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.606 1.667 9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.820 3.040 9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.708 2.693 10.835 1.00 0.00 H new ATOM 350 N ILE A 67 3.694 0.764 5.127 1.00 0.00 N ATOM 351 CA ILE A 67 4.850 0.952 4.247 1.00 0.00 C ATOM 352 C ILE A 67 4.518 1.895 3.079 1.00 0.00 C ATOM 353 O ILE A 67 5.404 2.308 2.330 1.00 0.00 O ATOM 354 CB ILE A 67 5.311 -0.422 3.686 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.409 -1.024 4.553 1.00 0.00 C ATOM 356 CG2 ILE A 67 5.791 -0.330 2.242 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.746 -2.441 4.161 1.00 0.00 C ATOM 0 H ILE A 67 3.145 -0.069 4.915 1.00 0.00 H new ATOM 0 HA ILE A 67 5.650 1.403 4.834 1.00 0.00 H new ATOM 0 HB ILE A 67 4.436 -1.072 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.305 -0.407 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.095 -1.005 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.102 -1.317 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.980 0.035 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.635 0.357 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.534 -2.821 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.859 -3.067 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.088 -2.461 3.126 1.00 0.00 H new ATOM 369 N GLY A 68 3.232 2.200 2.911 1.00 0.00 N ATOM 370 CA GLY A 68 2.798 3.041 1.809 1.00 0.00 C ATOM 371 C GLY A 68 2.307 2.195 0.645 1.00 0.00 C ATOM 372 O GLY A 68 2.116 2.690 -0.467 1.00 0.00 O ATOM 0 H GLY A 68 2.481 1.878 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.001 3.704 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.623 3.674 1.482 1.00 0.00 H new ATOM 376 N THR A 69 2.112 0.899 0.911 1.00 0.00 N ATOM 377 CA THR A 69 1.653 -0.053 -0.093 1.00 0.00 C ATOM 378 C THR A 69 0.191 0.196 -0.474 1.00 0.00 C ATOM 379 O THR A 69 -0.674 -0.619 -0.184 1.00 0.00 O ATOM 380 CB THR A 69 1.819 -1.485 0.442 1.00 0.00 C ATOM 381 OG1 THR A 69 3.046 -1.629 1.135 1.00 0.00 O ATOM 382 CG2 THR A 69 1.778 -2.548 -0.631 1.00 0.00 C ATOM 0 H THR A 69 2.269 0.485 1.830 1.00 0.00 H new ATOM 0 HA THR A 69 2.259 0.079 -0.990 1.00 0.00 H new ATOM 0 HB THR A 69 0.967 -1.632 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.868 -1.812 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.902 -3.530 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.819 -2.506 -1.148 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.583 -2.375 -1.345 1.00 0.00 H new ATOM 390 N CYS A 70 -0.079 1.325 -1.136 1.00 0.00 N ATOM 391 CA CYS A 70 -1.445 1.667 -1.566 1.00 0.00 C ATOM 392 C CYS A 70 -2.138 0.463 -2.216 1.00 0.00 C ATOM 393 O CYS A 70 -1.558 -0.207 -3.074 1.00 0.00 O ATOM 394 CB CYS A 70 -1.420 2.838 -2.557 1.00 0.00 C ATOM 395 SG CYS A 70 -2.298 4.332 -1.986 1.00 0.00 S ATOM 0 H CYS A 70 0.626 2.018 -1.387 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.007 1.957 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.382 3.099 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.861 2.510 -3.498 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.214 5.258 -2.894 1.00 0.00 H new ATOM 400 N TRP A 71 -3.373 0.198 -1.800 1.00 0.00 N ATOM 401 CA TRP A 71 -4.148 -0.920 -2.335 1.00 0.00 C ATOM 402 C TRP A 71 -5.374 -0.405 -3.093 1.00 0.00 C ATOM 403 O TRP A 71 -6.213 0.299 -2.527 1.00 0.00 O ATOM 404 CB TRP A 71 -4.563 -1.865 -1.200 1.00 0.00 C ATOM 405 CG TRP A 71 -3.391 -2.449 -0.470 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.873 -2.027 0.720 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.581 -3.553 -0.890 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.783 -2.794 1.060 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.588 -3.740 0.088 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.601 -4.400 -2.001 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.623 -4.740 -0.013 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.644 -5.392 -2.099 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.666 -5.556 -1.111 1.00 0.00 C ATOM 0 H TRP A 71 -3.862 0.744 -1.091 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.527 -1.477 -3.036 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.191 -1.322 -0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.169 -2.673 -1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.262 -1.210 1.309 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.213 -2.678 1.898 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.351 -4.282 -2.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.132 -4.867 0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.651 -6.053 -2.953 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.068 -6.341 -1.217 1.00 0.00 H new ATOM 424 N PRO A 72 -5.476 -0.720 -4.399 1.00 0.00 N ATOM 425 CA PRO A 72 -6.584 -0.260 -5.244 1.00 0.00 C ATOM 426 C PRO A 72 -7.827 -1.154 -5.184 1.00 0.00 C ATOM 427 O PRO A 72 -7.723 -2.380 -5.064 1.00 0.00 O ATOM 428 CB PRO A 72 -5.963 -0.304 -6.638 1.00 0.00 C ATOM 429 CG PRO A 72 -5.015 -1.455 -6.586 1.00 0.00 C ATOM 430 CD PRO A 72 -4.502 -1.524 -5.169 1.00 0.00 C ATOM 0 HA PRO A 72 -6.954 0.716 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.722 -0.449 -7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.446 0.626 -6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.516 -2.383 -6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.194 -1.314 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.459 -2.552 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.495 -1.116 -5.088 1.00 0.00 H new ATOM 438 N GLN A 73 -9.001 -0.516 -5.292 1.00 0.00 N ATOM 439 CA GLN A 73 -10.295 -1.214 -5.279 1.00 0.00 C ATOM 440 C GLN A 73 -10.254 -2.483 -4.419 1.00 0.00 C ATOM 441 O GLN A 73 -10.014 -2.406 -3.212 1.00 0.00 O ATOM 442 CB GLN A 73 -10.730 -1.503 -6.721 1.00 0.00 C ATOM 443 CG GLN A 73 -11.075 -0.241 -7.505 1.00 0.00 C ATOM 444 CD GLN A 73 -11.026 -0.445 -9.008 1.00 0.00 C ATOM 445 OE1 GLN A 73 -10.114 0.031 -9.680 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.008 -1.151 -9.546 1.00 0.00 N ATOM 0 H GLN A 73 -9.081 0.496 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.040 -0.567 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.931 -2.036 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.597 -2.164 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.073 0.095 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.381 0.553 -7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.747 -1.530 -8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.025 -1.316 -10.552 1.00 0.00 H new ATOM 455 N SER A 74 -10.479 -3.637 -5.041 1.00 0.00 N ATOM 456 CA SER A 74 -10.460 -4.930 -4.343 1.00 0.00 C ATOM 457 C SER A 74 -11.748 -5.156 -3.539 1.00 0.00 C ATOM 458 O SER A 74 -12.509 -4.222 -3.295 1.00 0.00 O ATOM 459 CB SER A 74 -9.235 -5.022 -3.421 1.00 0.00 C ATOM 460 OG SER A 74 -8.028 -4.753 -4.132 1.00 0.00 O ATOM 0 H SER A 74 -10.679 -3.708 -6.039 1.00 0.00 H new ATOM 0 HA SER A 74 -10.397 -5.713 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.341 -4.313 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.185 -6.017 -2.978 1.00 0.00 H new ATOM 0 HG SER A 74 -7.840 -3.792 -4.105 1.00 0.00 H new ATOM 466 N ALA A 75 -11.990 -6.404 -3.136 1.00 0.00 N ATOM 467 CA ALA A 75 -13.192 -6.751 -2.365 1.00 0.00 C ATOM 468 C ALA A 75 -12.929 -7.911 -1.393 1.00 0.00 C ATOM 469 O ALA A 75 -11.863 -8.532 -1.427 1.00 0.00 O ATOM 470 CB ALA A 75 -14.337 -7.095 -3.312 1.00 0.00 C ATOM 0 H ALA A 75 -11.373 -7.193 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.470 -5.883 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.224 -7.351 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.554 -6.236 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.052 -7.944 -3.934 1.00 0.00 H new ATOM 476 N PRO A 76 -13.904 -8.219 -0.507 1.00 0.00 N ATOM 477 CA PRO A 76 -13.775 -9.307 0.475 1.00 0.00 C ATOM 478 C PRO A 76 -13.528 -10.668 -0.173 1.00 0.00 C ATOM 479 O PRO A 76 -14.088 -10.979 -1.225 1.00 0.00 O ATOM 480 CB PRO A 76 -15.121 -9.302 1.210 1.00 0.00 C ATOM 481 CG PRO A 76 -16.048 -8.558 0.314 1.00 0.00 C ATOM 482 CD PRO A 76 -15.203 -7.536 -0.387 1.00 0.00 C ATOM 0 HA PRO A 76 -12.917 -9.149 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.476 -10.317 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.038 -8.816 2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.524 -9.229 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.846 -8.082 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.613 -7.271 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.124 -6.613 0.187 1.00 0.00 H new ATOM 490 N GLY A 77 -12.678 -11.468 0.467 1.00 0.00 N ATOM 491 CA GLY A 77 -12.354 -12.790 -0.049 1.00 0.00 C ATOM 492 C GLY A 77 -11.433 -12.752 -1.263 1.00 0.00 C ATOM 493 O GLY A 77 -11.282 -13.757 -1.961 1.00 0.00 O ATOM 0 H GLY A 77 -12.206 -11.224 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.881 -13.375 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.277 -13.304 -0.317 1.00 0.00 H new ATOM 497 N ALA A 78 -10.821 -11.591 -1.519 1.00 0.00 N ATOM 498 CA ALA A 78 -9.918 -11.429 -2.657 1.00 0.00 C ATOM 499 C ALA A 78 -8.476 -11.210 -2.199 1.00 0.00 C ATOM 500 O ALA A 78 -8.154 -10.184 -1.591 1.00 0.00 O ATOM 501 CB ALA A 78 -10.373 -10.267 -3.531 1.00 0.00 C ATOM 0 H ALA A 78 -10.936 -10.751 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.949 -12.349 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.692 -10.158 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.380 -10.462 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.374 -9.349 -2.944 1.00 0.00 H new ATOM 507 N LEU A 79 -7.610 -12.173 -2.505 1.00 0.00 N ATOM 508 CA LEU A 79 -6.202 -12.080 -2.138 1.00 0.00 C ATOM 509 C LEU A 79 -5.464 -11.165 -3.112 1.00 0.00 C ATOM 510 O LEU A 79 -4.881 -11.614 -4.103 1.00 0.00 O ATOM 511 CB LEU A 79 -5.575 -13.474 -2.107 1.00 0.00 C ATOM 512 CG LEU A 79 -4.499 -13.675 -1.040 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.718 -14.984 -0.301 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.119 -13.646 -1.668 1.00 0.00 C ATOM 0 H LEU A 79 -7.860 -13.026 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.119 -11.648 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.365 -14.208 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.139 -13.682 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.570 -12.858 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.942 -15.110 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.695 -14.970 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.674 -15.813 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.364 -13.791 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.039 -14.443 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.961 -12.683 -2.154 1.00 0.00 H new ATOM 526 N VAL A 80 -5.524 -9.870 -2.827 1.00 0.00 N ATOM 527 CA VAL A 80 -4.896 -8.858 -3.667 1.00 0.00 C ATOM 528 C VAL A 80 -3.367 -8.889 -3.546 1.00 0.00 C ATOM 529 O VAL A 80 -2.778 -8.245 -2.670 1.00 0.00 O ATOM 530 CB VAL A 80 -5.450 -7.460 -3.313 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.714 -6.353 -4.050 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.939 -7.402 -3.618 1.00 0.00 C ATOM 0 H VAL A 80 -6.007 -9.493 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.139 -9.082 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.291 -7.299 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.136 -5.387 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.658 -6.378 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.820 -6.499 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.324 -6.414 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.101 -7.595 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.461 -8.156 -3.028 1.00 0.00 H new ATOM 542 N GLU A 81 -2.737 -9.647 -4.443 1.00 0.00 N ATOM 543 CA GLU A 81 -1.279 -9.782 -4.470 1.00 0.00 C ATOM 544 C GLU A 81 -0.627 -8.509 -5.015 1.00 0.00 C ATOM 545 O GLU A 81 -1.226 -7.800 -5.828 1.00 0.00 O ATOM 546 CB GLU A 81 -0.882 -10.983 -5.327 1.00 0.00 C ATOM 547 CG GLU A 81 -0.859 -12.302 -4.565 1.00 0.00 C ATOM 548 CD GLU A 81 -0.682 -13.503 -5.475 1.00 0.00 C ATOM 549 OE1 GLU A 81 0.479 -13.889 -5.730 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.702 -14.057 -5.930 1.00 0.00 O ATOM 0 H GLU A 81 -3.218 -10.181 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.927 -9.938 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.578 -11.068 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.105 -10.803 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.049 -12.281 -3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.788 -12.410 -4.005 1.00 0.00 H new ATOM 557 N ARG A 82 0.595 -8.209 -4.570 1.00 0.00 N ATOM 558 CA ARG A 82 1.287 -7.001 -5.036 1.00 0.00 C ATOM 559 C ARG A 82 2.797 -7.042 -4.772 1.00 0.00 C ATOM 560 O ARG A 82 3.226 -7.237 -3.636 1.00 0.00 O ATOM 561 CB ARG A 82 0.687 -5.774 -4.364 1.00 0.00 C ATOM 562 CG ARG A 82 1.238 -4.469 -4.901 1.00 0.00 C ATOM 563 CD ARG A 82 0.129 -3.478 -5.178 1.00 0.00 C ATOM 564 NE ARG A 82 0.197 -2.335 -4.275 1.00 0.00 N ATOM 565 CZ ARG A 82 1.091 -1.361 -4.373 1.00 0.00 C ATOM 566 NH1 ARG A 82 2.080 -1.440 -5.245 1.00 0.00 N ATOM 567 NH2 ARG A 82 1.007 -0.321 -3.579 1.00 0.00 N ATOM 0 H ARG A 82 1.119 -8.772 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 82 1.149 -6.951 -6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.395 -5.787 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.876 -5.826 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.938 -4.044 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.798 -4.657 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.197 -3.133 -6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.837 -3.971 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.487 -2.281 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.161 -2.256 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.762 -0.685 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.257 -0.264 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.692 0.431 -3.650 1.00 0.00 H new ATOM 581 N PRO A 83 3.625 -6.843 -5.823 1.00 0.00 N ATOM 582 CA PRO A 83 5.096 -6.847 -5.708 1.00 0.00 C ATOM 583 C PRO A 83 5.607 -6.026 -4.519 1.00 0.00 C ATOM 584 O PRO A 83 5.088 -4.945 -4.228 1.00 0.00 O ATOM 585 CB PRO A 83 5.571 -6.230 -7.036 1.00 0.00 C ATOM 586 CG PRO A 83 4.335 -5.752 -7.732 1.00 0.00 C ATOM 587 CD PRO A 83 3.208 -6.588 -7.206 1.00 0.00 C ATOM 0 HA PRO A 83 5.476 -7.853 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.263 -5.406 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.100 -6.966 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.161 -4.695 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.430 -5.862 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.255 -6.061 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.089 -7.512 -7.772 1.00 0.00 H new ATOM 595 N CYS A 84 6.621 -6.551 -3.829 1.00 0.00 N ATOM 596 CA CYS A 84 7.196 -5.869 -2.665 1.00 0.00 C ATOM 597 C CYS A 84 8.026 -4.653 -3.078 1.00 0.00 C ATOM 598 O CYS A 84 8.837 -4.728 -4.002 1.00 0.00 O ATOM 599 CB CYS A 84 8.069 -6.831 -1.855 1.00 0.00 C ATOM 600 SG CYS A 84 7.212 -8.348 -1.321 1.00 0.00 S ATOM 0 H CYS A 84 7.061 -7.443 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 84 6.365 -5.525 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.936 -7.109 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.444 -6.310 -0.974 1.00 0.00 H new ATOM 605 N PRO A 85 7.835 -3.506 -2.395 1.00 0.00 N ATOM 606 CA PRO A 85 8.569 -2.275 -2.693 1.00 0.00 C ATOM 607 C PRO A 85 9.897 -2.162 -1.926 1.00 0.00 C ATOM 608 O PRO A 85 9.914 -1.832 -0.738 1.00 0.00 O ATOM 609 CB PRO A 85 7.581 -1.202 -2.234 1.00 0.00 C ATOM 610 CG PRO A 85 6.875 -1.814 -1.067 1.00 0.00 C ATOM 611 CD PRO A 85 6.885 -3.311 -1.281 1.00 0.00 C ATOM 0 HA PRO A 85 8.865 -2.206 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.096 -0.285 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.882 -0.941 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.375 -1.554 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.853 -1.441 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.207 -3.840 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.893 -3.685 -1.533 1.00 0.00 H new ATOM 619 N GLU A 86 11.010 -2.428 -2.618 1.00 0.00 N ATOM 620 CA GLU A 86 12.344 -2.343 -2.003 1.00 0.00 C ATOM 621 C GLU A 86 13.053 -1.040 -2.373 1.00 0.00 C ATOM 622 O GLU A 86 14.276 -0.941 -2.287 1.00 0.00 O ATOM 623 CB GLU A 86 13.211 -3.527 -2.428 1.00 0.00 C ATOM 624 CG GLU A 86 12.830 -4.818 -1.736 1.00 0.00 C ATOM 625 CD GLU A 86 13.945 -5.408 -0.893 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.854 -4.657 -0.474 1.00 0.00 O ATOM 627 OE2 GLU A 86 13.902 -6.627 -0.650 1.00 0.00 O ATOM 0 H GLU A 86 11.017 -2.703 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 86 12.201 -2.365 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.129 -3.662 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.255 -3.301 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.963 -4.638 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.529 -5.548 -2.487 1.00 0.00 H new ATOM 634 N TYR A 87 12.283 -0.043 -2.790 1.00 0.00 N ATOM 635 CA TYR A 87 12.848 1.242 -3.181 1.00 0.00 C ATOM 636 C TYR A 87 12.520 2.323 -2.139 1.00 0.00 C ATOM 637 O TYR A 87 12.476 3.512 -2.451 1.00 0.00 O ATOM 638 CB TYR A 87 12.321 1.631 -4.571 1.00 0.00 C ATOM 639 CG TYR A 87 12.690 0.639 -5.664 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.483 -0.729 -5.498 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.249 1.069 -6.861 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.818 -1.631 -6.484 1.00 0.00 C ATOM 643 CE2 TYR A 87 13.586 0.168 -7.857 1.00 0.00 C ATOM 644 CZ TYR A 87 13.368 -1.182 -7.661 1.00 0.00 C ATOM 645 OH TYR A 87 13.700 -2.090 -8.648 1.00 0.00 O ATOM 0 H TYR A 87 11.267 -0.099 -2.866 1.00 0.00 H new ATOM 0 HA TYR A 87 13.934 1.156 -3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.236 1.722 -4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.712 2.613 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.051 -1.090 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.424 2.123 -7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 87 12.649 -2.687 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.017 0.519 -8.783 1.00 0.00 H new ATOM 0 HH TYR A 87 14.077 -1.614 -9.417 1.00 0.00 H new ATOM 655 N PHE A 88 12.301 1.888 -0.891 1.00 0.00 N ATOM 656 CA PHE A 88 11.985 2.794 0.217 1.00 0.00 C ATOM 657 C PHE A 88 13.166 3.705 0.563 1.00 0.00 C ATOM 658 O PHE A 88 13.001 4.756 1.186 1.00 0.00 O ATOM 659 CB PHE A 88 11.580 1.972 1.449 1.00 0.00 C ATOM 660 CG PHE A 88 10.386 2.498 2.195 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.166 3.860 2.326 1.00 0.00 C ATOM 662 CD2 PHE A 88 9.484 1.620 2.779 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.070 4.335 3.021 1.00 0.00 C ATOM 664 CE2 PHE A 88 8.390 2.090 3.472 1.00 0.00 C ATOM 665 CZ PHE A 88 8.180 3.448 3.595 1.00 0.00 C ATOM 0 H PHE A 88 12.338 0.904 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 88 11.158 3.432 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.372 0.950 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.427 1.928 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.859 4.558 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.641 0.555 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.909 5.399 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.696 1.394 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.322 3.816 4.138 1.00 0.00 H new ATOM 675 N ASN A 89 14.348 3.280 0.153 1.00 0.00 N ATOM 676 CA ASN A 89 15.585 4.019 0.399 1.00 0.00 C ATOM 677 C ASN A 89 16.486 3.999 -0.841 1.00 0.00 C ATOM 678 O ASN A 89 16.868 5.045 -1.363 1.00 0.00 O ATOM 679 CB ASN A 89 16.322 3.409 1.600 1.00 0.00 C ATOM 680 CG ASN A 89 16.011 4.126 2.897 1.00 0.00 C ATOM 681 OD1 ASN A 89 15.123 3.720 3.645 1.00 0.00 O ATOM 682 ND2 ASN A 89 16.738 5.197 3.176 1.00 0.00 N ATOM 0 H ASN A 89 14.483 2.410 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 89 15.334 5.056 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.048 2.358 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.396 3.443 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.570 5.717 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.466 5.502 2.530 1.00 0.00 H new ATOM 689 N GLY A 90 16.813 2.790 -1.300 1.00 0.00 N ATOM 690 CA GLY A 90 17.662 2.622 -2.473 1.00 0.00 C ATOM 691 C GLY A 90 18.216 1.214 -2.575 1.00 0.00 C ATOM 692 O GLY A 90 19.429 1.017 -2.586 1.00 0.00 O ATOM 0 H GLY A 90 16.502 1.916 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.089 2.852 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.486 3.334 -2.429 1.00 0.00 H new ATOM 696 N ILE A 91 17.318 0.230 -2.629 1.00 0.00 N ATOM 697 CA ILE A 91 17.718 -1.176 -2.706 1.00 0.00 C ATOM 698 C ILE A 91 16.964 -1.913 -3.820 1.00 0.00 C ATOM 699 O ILE A 91 16.077 -1.355 -4.467 1.00 0.00 O ATOM 700 CB ILE A 91 17.475 -1.902 -1.356 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.428 -0.902 -0.192 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.560 -2.944 -1.107 1.00 0.00 C ATOM 703 CD1 ILE A 91 16.023 -0.519 0.222 1.00 0.00 C ATOM 0 H ILE A 91 16.309 0.380 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 91 18.784 -1.190 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 91 16.509 -2.404 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 91 17.946 -1.331 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.972 -0.001 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.374 -3.443 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.549 -3.680 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.534 -2.455 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.068 0.190 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.507 -0.060 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 91 15.481 -1.410 0.537 1.00 0.00 H new ATOM 715 N LYS A 92 17.327 -3.176 -4.040 1.00 0.00 N ATOM 716 CA LYS A 92 16.688 -3.993 -5.070 1.00 0.00 C ATOM 717 C LYS A 92 16.257 -5.340 -4.507 1.00 0.00 C ATOM 718 O LYS A 92 15.079 -5.697 -4.568 1.00 0.00 O ATOM 719 CB LYS A 92 17.645 -4.208 -6.239 1.00 0.00 C ATOM 720 CG LYS A 92 17.041 -4.998 -7.391 1.00 0.00 C ATOM 721 CD LYS A 92 15.840 -4.288 -7.995 1.00 0.00 C ATOM 722 CE LYS A 92 14.526 -4.873 -7.498 1.00 0.00 C ATOM 723 NZ LYS A 92 13.384 -4.459 -8.360 1.00 0.00 N ATOM 0 H LYS A 92 18.061 -3.656 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 92 15.802 -3.463 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.974 -3.237 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.532 -4.729 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.797 -5.153 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.740 -5.984 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.882 -3.228 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.883 -4.363 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.594 -5.961 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.346 -4.548 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.490 -4.621 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.472 -3.449 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.391 -5.017 -9.237 1.00 0.00 H new ATOM 737 N TYR A 93 17.225 -6.085 -3.964 1.00 0.00 N ATOM 738 CA TYR A 93 16.957 -7.398 -3.382 1.00 0.00 C ATOM 739 C TYR A 93 16.066 -8.252 -4.294 1.00 0.00 C ATOM 740 O TYR A 93 15.179 -8.947 -3.810 1.00 0.00 O ATOM 741 CB TYR A 93 16.282 -7.208 -2.022 1.00 0.00 C ATOM 742 CG TYR A 93 17.222 -6.990 -0.854 1.00 0.00 C ATOM 743 CD1 TYR A 93 18.561 -6.664 -1.039 1.00 0.00 C ATOM 744 CD2 TYR A 93 16.754 -7.111 0.447 1.00 0.00 C ATOM 745 CE1 TYR A 93 19.401 -6.469 0.042 1.00 0.00 C ATOM 746 CE2 TYR A 93 17.586 -6.919 1.529 1.00 0.00 C ATOM 747 CZ TYR A 93 18.906 -6.599 1.322 1.00 0.00 C ATOM 748 OH TYR A 93 19.737 -6.409 2.398 1.00 0.00 O ATOM 0 H TYR A 93 18.203 -5.798 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 93 17.904 -7.925 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.607 -6.355 -2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 93 15.669 -8.085 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.950 -6.562 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.717 -7.361 0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.439 -6.216 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.203 -7.020 2.534 1.00 0.00 H new ATOM 0 HH TYR A 93 19.232 -6.536 3.228 1.00 0.00 H new ATOM 758 N ASN A 94 16.309 -8.180 -5.612 1.00 0.00 N ATOM 759 CA ASN A 94 15.531 -8.931 -6.611 1.00 0.00 C ATOM 760 C ASN A 94 14.118 -9.256 -6.108 1.00 0.00 C ATOM 761 O ASN A 94 13.699 -10.414 -6.080 1.00 0.00 O ATOM 762 CB ASN A 94 16.271 -10.217 -7.005 1.00 0.00 C ATOM 763 CG ASN A 94 15.737 -10.835 -8.291 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.540 -11.099 -8.425 1.00 0.00 O ATOM 765 ND2 ASN A 94 16.622 -11.070 -9.248 1.00 0.00 N ATOM 0 H ASN A 94 17.047 -7.602 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 94 15.426 -8.297 -7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.332 -9.998 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.186 -10.942 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.321 -11.482 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.605 -10.839 -9.102 1.00 0.00 H new ATOM 772 N THR A 95 13.384 -8.222 -5.704 1.00 0.00 N ATOM 773 CA THR A 95 12.024 -8.406 -5.202 1.00 0.00 C ATOM 774 C THR A 95 11.067 -8.744 -6.349 1.00 0.00 C ATOM 775 O THR A 95 10.140 -7.987 -6.652 1.00 0.00 O ATOM 776 CB THR A 95 11.550 -7.159 -4.444 1.00 0.00 C ATOM 777 OG1 THR A 95 10.184 -7.274 -4.093 1.00 0.00 O ATOM 778 CG2 THR A 95 11.710 -5.869 -5.222 1.00 0.00 C ATOM 0 H THR A 95 13.705 -7.254 -5.714 1.00 0.00 H new ATOM 0 HA THR A 95 12.028 -9.243 -4.504 1.00 0.00 H new ATOM 0 HB THR A 95 12.189 -7.110 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.798 -6.380 -3.982 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.353 -5.034 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.762 -5.718 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.130 -5.925 -6.143 1.00 0.00 H new ATOM 786 N THR A 96 11.309 -9.892 -6.983 1.00 0.00 N ATOM 787 CA THR A 96 10.489 -10.355 -8.104 1.00 0.00 C ATOM 788 C THR A 96 9.130 -10.867 -7.628 1.00 0.00 C ATOM 789 O THR A 96 8.135 -10.747 -8.340 1.00 0.00 O ATOM 790 CB THR A 96 11.219 -11.456 -8.885 1.00 0.00 C ATOM 791 OG1 THR A 96 12.204 -12.089 -8.078 1.00 0.00 O ATOM 792 CG2 THR A 96 11.904 -10.947 -10.134 1.00 0.00 C ATOM 0 H THR A 96 12.072 -10.523 -6.737 1.00 0.00 H new ATOM 0 HA THR A 96 10.319 -9.503 -8.762 1.00 0.00 H new ATOM 0 HB THR A 96 10.442 -12.163 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.088 -11.962 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.401 -11.775 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.163 -10.506 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.642 -10.192 -9.862 1.00 0.00 H new ATOM 800 N ARG A 97 9.090 -11.430 -6.418 1.00 0.00 N ATOM 801 CA ARG A 97 7.848 -11.945 -5.850 1.00 0.00 C ATOM 802 C ARG A 97 6.936 -10.793 -5.423 1.00 0.00 C ATOM 803 O ARG A 97 7.325 -9.622 -5.479 1.00 0.00 O ATOM 804 CB ARG A 97 8.135 -12.870 -4.656 1.00 0.00 C ATOM 805 CG ARG A 97 9.367 -13.748 -4.825 1.00 0.00 C ATOM 806 CD ARG A 97 9.015 -15.224 -4.790 1.00 0.00 C ATOM 807 NE ARG A 97 9.986 -16.019 -5.541 1.00 0.00 N ATOM 808 CZ ARG A 97 11.175 -16.390 -5.077 1.00 0.00 C ATOM 809 NH1 ARG A 97 11.536 -16.109 -3.844 1.00 0.00 N ATOM 810 NH2 ARG A 97 12.006 -17.061 -5.847 1.00 0.00 N ATOM 0 H ARG A 97 9.905 -11.539 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 97 7.339 -12.526 -6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.258 -12.261 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.268 -13.509 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.854 -13.513 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.083 -13.526 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.982 -15.568 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.019 -15.373 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 97 9.733 -16.309 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.900 -15.600 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.452 -16.400 -3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.738 -17.297 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.918 -17.344 -5.488 1.00 0.00 H new ATOM 824 N ASN A 98 5.722 -11.125 -5.006 1.00 0.00 N ATOM 825 CA ASN A 98 4.756 -10.110 -4.586 1.00 0.00 C ATOM 826 C ASN A 98 4.122 -10.428 -3.228 1.00 0.00 C ATOM 827 O ASN A 98 4.117 -11.573 -2.775 1.00 0.00 O ATOM 828 CB ASN A 98 3.665 -9.952 -5.654 1.00 0.00 C ATOM 829 CG ASN A 98 3.117 -11.278 -6.141 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.514 -11.780 -7.188 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.198 -11.850 -5.379 1.00 0.00 N ATOM 0 H ASN A 98 5.380 -12.084 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 98 5.301 -9.173 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.849 -9.356 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.071 -9.400 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.791 -12.744 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.897 -11.397 -4.516 1.00 0.00 H new ATOM 838 N ALA A 99 3.574 -9.386 -2.601 1.00 0.00 N ATOM 839 CA ALA A 99 2.913 -9.494 -1.309 1.00 0.00 C ATOM 840 C ALA A 99 1.519 -10.100 -1.460 1.00 0.00 C ATOM 841 O ALA A 99 0.994 -10.212 -2.572 1.00 0.00 O ATOM 842 CB ALA A 99 2.825 -8.117 -0.658 1.00 0.00 C ATOM 0 H ALA A 99 3.579 -8.440 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 99 3.501 -10.154 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.329 -8.203 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.829 -7.716 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.254 -7.447 -1.300 1.00 0.00 H new ATOM 848 N TYR A 100 0.932 -10.493 -0.339 1.00 0.00 N ATOM 849 CA TYR A 100 -0.400 -11.099 -0.334 1.00 0.00 C ATOM 850 C TYR A 100 -1.330 -10.399 0.659 1.00 0.00 C ATOM 851 O TYR A 100 -1.334 -10.713 1.851 1.00 0.00 O ATOM 852 CB TYR A 100 -0.285 -12.591 -0.001 1.00 0.00 C ATOM 853 CG TYR A 100 0.653 -13.343 -0.922 1.00 0.00 C ATOM 854 CD1 TYR A 100 2.023 -13.370 -0.684 1.00 0.00 C ATOM 855 CD2 TYR A 100 0.170 -14.016 -2.037 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.881 -14.044 -1.534 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.022 -14.693 -2.886 1.00 0.00 C ATOM 858 CZ TYR A 100 2.374 -14.704 -2.632 1.00 0.00 C ATOM 859 OH TYR A 100 3.225 -15.370 -3.485 1.00 0.00 O ATOM 0 H TYR A 100 1.356 -10.404 0.585 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.834 -10.982 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.062 -12.701 1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.275 -13.045 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.423 -12.857 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.890 -14.009 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.943 -14.053 -1.338 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.628 -15.213 -3.747 1.00 0.00 H new ATOM 0 HH TYR A 100 4.153 -15.157 -3.253 1.00 0.00 H new ATOM 869 N ARG A 101 -2.119 -9.447 0.159 1.00 0.00 N ATOM 870 CA ARG A 101 -3.052 -8.701 1.001 1.00 0.00 C ATOM 871 C ARG A 101 -4.501 -9.017 0.633 1.00 0.00 C ATOM 872 O ARG A 101 -5.032 -8.499 -0.350 1.00 0.00 O ATOM 873 CB ARG A 101 -2.790 -7.201 0.875 1.00 0.00 C ATOM 874 CG ARG A 101 -2.384 -6.544 2.185 1.00 0.00 C ATOM 875 CD ARG A 101 -3.531 -5.759 2.796 1.00 0.00 C ATOM 876 NE ARG A 101 -3.100 -4.441 3.258 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.374 -4.232 4.352 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.083 -5.225 5.170 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.963 -3.014 4.640 1.00 0.00 N ATOM 0 H ARG A 101 -2.130 -9.175 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.893 -9.005 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.004 -7.038 0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.689 -6.714 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.050 -7.308 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.538 -5.878 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.326 -5.644 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.950 -6.319 3.632 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.374 -3.629 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.416 -6.167 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.525 -5.050 6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.202 -2.236 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.406 -2.849 5.478 1.00 0.00 H new ATOM 893 N GLU A 102 -5.135 -9.874 1.428 1.00 0.00 N ATOM 894 CA GLU A 102 -6.522 -10.264 1.187 1.00 0.00 C ATOM 895 C GLU A 102 -7.496 -9.346 1.930 1.00 0.00 C ATOM 896 O GLU A 102 -7.174 -8.801 2.991 1.00 0.00 O ATOM 897 CB GLU A 102 -6.741 -11.719 1.614 1.00 0.00 C ATOM 898 CG GLU A 102 -7.680 -12.493 0.699 1.00 0.00 C ATOM 899 CD GLU A 102 -8.661 -13.363 1.458 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.317 -14.526 1.758 1.00 0.00 O ATOM 901 OE2 GLU A 102 -9.775 -12.879 1.752 1.00 0.00 O ATOM 0 H GLU A 102 -4.711 -10.312 2.245 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.718 -10.169 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.778 -12.228 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.142 -11.734 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.233 -11.790 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.091 -13.119 0.028 1.00 0.00 H new ATOM 908 N CYS A 103 -8.695 -9.189 1.372 1.00 0.00 N ATOM 909 CA CYS A 103 -9.729 -8.354 1.989 1.00 0.00 C ATOM 910 C CYS A 103 -10.710 -9.235 2.765 1.00 0.00 C ATOM 911 O CYS A 103 -11.409 -10.060 2.176 1.00 0.00 O ATOM 912 CB CYS A 103 -10.475 -7.536 0.926 1.00 0.00 C ATOM 913 SG CYS A 103 -10.423 -5.731 1.194 1.00 0.00 S ATOM 0 H CYS A 103 -8.976 -9.628 0.495 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.250 -7.658 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.049 -7.759 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.516 -7.858 0.901 1.00 0.00 H new ATOM 918 N LEU A 104 -10.745 -9.069 4.087 1.00 0.00 N ATOM 919 CA LEU A 104 -11.629 -9.864 4.941 1.00 0.00 C ATOM 920 C LEU A 104 -13.079 -9.810 4.461 1.00 0.00 C ATOM 921 O LEU A 104 -13.529 -8.805 3.910 1.00 0.00 O ATOM 922 CB LEU A 104 -11.529 -9.403 6.399 1.00 0.00 C ATOM 923 CG LEU A 104 -10.153 -9.587 7.044 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.973 -8.627 8.206 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.969 -11.022 7.509 1.00 0.00 C ATOM 0 H LEU A 104 -10.172 -8.392 4.590 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.299 -10.901 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.799 -8.348 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.266 -9.949 6.988 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.393 -9.366 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.989 -8.774 8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.060 -7.601 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.741 -8.815 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.985 -11.133 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.738 -11.269 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.052 -11.695 6.655 1.00 0.00 H new ATOM 937 N GLU A 105 -13.789 -10.914 4.674 1.00 0.00 N ATOM 938 CA GLU A 105 -15.195 -11.059 4.270 1.00 0.00 C ATOM 939 C GLU A 105 -16.024 -9.800 4.560 1.00 0.00 C ATOM 940 O GLU A 105 -16.753 -9.315 3.693 1.00 0.00 O ATOM 941 CB GLU A 105 -15.814 -12.264 4.983 1.00 0.00 C ATOM 942 CG GLU A 105 -16.458 -13.269 4.040 1.00 0.00 C ATOM 943 CD GLU A 105 -17.370 -14.240 4.759 1.00 0.00 C ATOM 944 OE1 GLU A 105 -18.538 -13.878 5.011 1.00 0.00 O ATOM 945 OE2 GLU A 105 -16.915 -15.358 5.072 1.00 0.00 O ATOM 0 H GLU A 105 -13.408 -11.741 5.134 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.209 -11.212 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.041 -12.768 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.564 -11.910 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.029 -12.735 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.678 -13.826 3.520 1.00 0.00 H new ATOM 952 N ASN A 106 -15.912 -9.279 5.780 1.00 0.00 N ATOM 953 CA ASN A 106 -16.656 -8.079 6.177 1.00 0.00 C ATOM 954 C ASN A 106 -16.266 -6.863 5.324 1.00 0.00 C ATOM 955 O ASN A 106 -17.051 -5.922 5.178 1.00 0.00 O ATOM 956 CB ASN A 106 -16.418 -7.771 7.661 1.00 0.00 C ATOM 957 CG ASN A 106 -16.831 -8.913 8.569 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.996 -9.690 9.022 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.123 -9.019 8.841 1.00 0.00 N ATOM 0 H ASN A 106 -15.315 -9.666 6.511 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.715 -8.281 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.362 -7.551 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.974 -6.875 7.936 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.457 -9.768 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.784 -8.352 8.444 1.00 0.00 H new ATOM 966 N GLY A 107 -15.055 -6.892 4.763 1.00 0.00 N ATOM 967 CA GLY A 107 -14.574 -5.795 3.935 1.00 0.00 C ATOM 968 C GLY A 107 -13.417 -5.050 4.581 1.00 0.00 C ATOM 969 O GLY A 107 -13.406 -3.819 4.614 1.00 0.00 O ATOM 0 H GLY A 107 -14.395 -7.662 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.258 -6.185 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -15.392 -5.099 3.747 1.00 0.00 H new ATOM 973 N THR A 108 -12.444 -5.798 5.103 1.00 0.00 N ATOM 974 CA THR A 108 -11.281 -5.194 5.761 1.00 0.00 C ATOM 975 C THR A 108 -9.991 -5.906 5.362 1.00 0.00 C ATOM 976 O THR A 108 -9.903 -7.131 5.429 1.00 0.00 O ATOM 977 CB THR A 108 -11.441 -5.229 7.286 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.032 -6.448 7.711 1.00 0.00 O ATOM 979 CG2 THR A 108 -12.292 -4.101 7.824 1.00 0.00 C ATOM 0 H THR A 108 -12.436 -6.818 5.084 1.00 0.00 H new ATOM 0 HA THR A 108 -11.221 -4.156 5.434 1.00 0.00 H new ATOM 0 HB THR A 108 -10.429 -5.125 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.121 -6.446 8.687 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.364 -4.185 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.836 -3.146 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.289 -4.158 7.388 1.00 0.00 H new ATOM 987 N TRP A 109 -8.987 -5.133 4.949 1.00 0.00 N ATOM 988 CA TRP A 109 -7.704 -5.707 4.545 1.00 0.00 C ATOM 989 C TRP A 109 -7.088 -6.530 5.671 1.00 0.00 C ATOM 990 O TRP A 109 -7.096 -6.124 6.836 1.00 0.00 O ATOM 991 CB TRP A 109 -6.722 -4.618 4.131 1.00 0.00 C ATOM 992 CG TRP A 109 -7.090 -3.915 2.861 1.00 0.00 C ATOM 993 CD1 TRP A 109 -7.607 -2.659 2.737 1.00 0.00 C ATOM 994 CD2 TRP A 109 -6.961 -4.431 1.533 1.00 0.00 C ATOM 995 NE1 TRP A 109 -7.796 -2.355 1.410 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.407 -3.430 0.650 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.506 -5.641 1.007 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.409 -3.606 -0.732 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.511 -5.815 -0.362 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.957 -4.803 -1.218 1.00 0.00 C ATOM 0 H TRP A 109 -9.036 -4.116 4.886 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.900 -6.358 3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.651 -3.883 4.933 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.733 -5.060 4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.835 -1.999 3.561 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.165 -1.475 1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.156 -6.427 1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.754 -2.827 -1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.165 -6.749 -0.780 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.945 -4.970 -2.285 1.00 0.00 H new ATOM 1011 N ALA A 110 -6.542 -7.681 5.308 1.00 0.00 N ATOM 1012 CA ALA A 110 -5.906 -8.573 6.273 1.00 0.00 C ATOM 1013 C ALA A 110 -4.591 -7.985 6.799 1.00 0.00 C ATOM 1014 O ALA A 110 -3.775 -7.462 6.031 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.670 -9.941 5.649 1.00 0.00 C ATOM 0 H ALA A 110 -6.526 -8.023 4.347 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.579 -8.685 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.195 -10.597 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.624 -10.370 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.022 -9.837 4.779 1.00 0.00 H new ATOM 1021 N SER A 111 -4.396 -8.081 8.116 1.00 0.00 N ATOM 1022 CA SER A 111 -3.187 -7.570 8.770 1.00 0.00 C ATOM 1023 C SER A 111 -1.927 -8.158 8.138 1.00 0.00 C ATOM 1024 O SER A 111 -1.129 -7.439 7.539 1.00 0.00 O ATOM 1025 CB SER A 111 -3.215 -7.899 10.265 1.00 0.00 C ATOM 1026 OG SER A 111 -3.219 -9.305 10.473 1.00 0.00 O ATOM 0 H SER A 111 -5.064 -8.511 8.755 1.00 0.00 H new ATOM 0 HA SER A 111 -3.167 -6.488 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.348 -7.457 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.100 -7.457 10.723 1.00 0.00 H new ATOM 0 HG SER A 111 -3.235 -9.493 11.435 1.00 0.00 H new ATOM 1032 N ARG A 112 -1.756 -9.470 8.276 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.594 -10.157 7.717 1.00 0.00 C ATOM 1034 C ARG A 112 -0.609 -10.104 6.193 1.00 0.00 C ATOM 1035 O ARG A 112 -1.664 -10.196 5.566 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.560 -11.612 8.180 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.015 -11.788 9.586 1.00 0.00 C ATOM 1038 CD ARG A 112 1.181 -12.722 9.602 1.00 0.00 C ATOM 1039 NE ARG A 112 1.343 -13.366 10.906 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.821 -12.762 11.986 1.00 0.00 C ATOM 1041 NH1 ARG A 112 2.211 -11.503 11.933 1.00 0.00 N ATOM 1042 NH2 ARG A 112 1.911 -13.422 13.121 1.00 0.00 N ATOM 0 H ARG A 112 -2.407 -10.080 8.770 1.00 0.00 H new ATOM 0 HA ARG A 112 0.300 -9.646 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.569 -12.023 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.050 -12.191 7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.273 -10.818 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.797 -12.184 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.059 -13.484 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.084 -12.163 9.357 1.00 0.00 H new ATOM 0 HE ARG A 112 1.070 -14.345 10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.146 -10.986 11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.577 -11.047 12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.613 -14.396 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.278 -12.959 13.952 1.00 0.00 H new ATOM 1056 N VAL A 113 0.570 -9.951 5.607 1.00 0.00 N ATOM 1057 CA VAL A 113 0.703 -9.879 4.153 1.00 0.00 C ATOM 1058 C VAL A 113 1.830 -10.795 3.654 1.00 0.00 C ATOM 1059 O VAL A 113 2.525 -10.472 2.689 1.00 0.00 O ATOM 1060 CB VAL A 113 0.962 -8.426 3.695 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.630 -8.254 2.223 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.157 -7.446 4.536 1.00 0.00 C ATOM 0 H VAL A 113 1.452 -9.874 6.114 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.237 -10.221 3.720 1.00 0.00 H new ATOM 0 HB VAL A 113 2.022 -8.214 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.821 -7.223 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.251 -8.924 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.421 -8.491 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.354 -6.429 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.906 -7.664 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.446 -7.542 5.583 1.00 0.00 H new ATOM 1072 N ASN A 114 1.981 -11.947 4.319 1.00 0.00 N ATOM 1073 CA ASN A 114 2.992 -12.950 3.980 1.00 0.00 C ATOM 1074 C ASN A 114 4.289 -12.314 3.468 1.00 0.00 C ATOM 1075 O ASN A 114 4.585 -12.343 2.273 1.00 0.00 O ATOM 1076 CB ASN A 114 2.419 -13.936 2.960 1.00 0.00 C ATOM 1077 CG ASN A 114 0.986 -14.340 3.267 1.00 0.00 C ATOM 1078 OD1 ASN A 114 0.496 -14.154 4.381 1.00 0.00 O ATOM 1079 ND2 ASN A 114 0.304 -14.905 2.284 1.00 0.00 N ATOM 0 H ASN A 114 1.399 -12.209 5.114 1.00 0.00 H new ATOM 0 HA ASN A 114 3.251 -13.490 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 114 2.460 -13.488 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 114 3.045 -14.828 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.660 -15.202 2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.742 -15.044 1.373 1.00 0.00 H new ATOM 1086 N TYR A 115 5.061 -11.741 4.390 1.00 0.00 N ATOM 1087 CA TYR A 115 6.330 -11.086 4.049 1.00 0.00 C ATOM 1088 C TYR A 115 7.478 -12.093 3.911 1.00 0.00 C ATOM 1089 O TYR A 115 8.575 -11.726 3.497 1.00 0.00 O ATOM 1090 CB TYR A 115 6.677 -10.020 5.095 1.00 0.00 C ATOM 1091 CG TYR A 115 5.457 -9.430 5.770 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.689 -8.463 5.136 1.00 0.00 C ATOM 1093 CD2 TYR A 115 5.067 -9.855 7.032 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.567 -7.934 5.744 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.946 -9.331 7.646 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.204 -8.372 6.999 1.00 0.00 C ATOM 1097 OH TYR A 115 2.094 -7.843 7.612 1.00 0.00 O ATOM 0 H TYR A 115 4.832 -11.715 5.384 1.00 0.00 H new ATOM 0 HA TYR A 115 6.200 -10.606 3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.326 -10.460 5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.242 -9.220 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.973 -8.119 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.649 -10.608 7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.978 -7.182 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.655 -9.673 8.628 1.00 0.00 H new ATOM 0 HH TYR A 115 2.349 -7.460 8.477 1.00 0.00 H new ATOM 1107 N SER A 116 7.221 -13.364 4.237 1.00 0.00 N ATOM 1108 CA SER A 116 8.243 -14.409 4.118 1.00 0.00 C ATOM 1109 C SER A 116 8.686 -14.578 2.659 1.00 0.00 C ATOM 1110 O SER A 116 9.748 -15.137 2.384 1.00 0.00 O ATOM 1111 CB SER A 116 7.716 -15.737 4.667 1.00 0.00 C ATOM 1112 OG SER A 116 7.304 -15.598 6.018 1.00 0.00 O ATOM 0 H SER A 116 6.320 -13.693 4.583 1.00 0.00 H new ATOM 0 HA SER A 116 9.109 -14.104 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.878 -16.079 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.493 -16.499 4.596 1.00 0.00 H new ATOM 0 HG SER A 116 6.969 -16.458 6.348 1.00 0.00 H new ATOM 1118 N HIS A 117 7.865 -14.074 1.731 1.00 0.00 N ATOM 1119 CA HIS A 117 8.161 -14.138 0.304 1.00 0.00 C ATOM 1120 C HIS A 117 9.083 -12.979 -0.099 1.00 0.00 C ATOM 1121 O HIS A 117 9.621 -12.275 0.757 1.00 0.00 O ATOM 1122 CB HIS A 117 6.849 -14.066 -0.490 1.00 0.00 C ATOM 1123 CG HIS A 117 6.497 -15.328 -1.207 1.00 0.00 C ATOM 1124 ND1 HIS A 117 5.908 -15.520 -2.409 1.00 0.00 N flip ATOM 1125 CD2 HIS A 117 6.724 -16.583 -0.688 1.00 0.00 C flip ATOM 1126 CE1 HIS A 117 5.787 -16.875 -2.595 1.00 0.00 C flip ATOM 1127 NE2 HIS A 117 6.289 -17.495 -1.542 1.00 0.00 N flip ATOM 0 H HIS A 117 6.982 -13.613 1.951 1.00 0.00 H new ATOM 0 HA HIS A 117 8.668 -15.077 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.038 -13.811 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.921 -13.257 -1.216 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.185 -16.790 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.353 -17.355 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.334 -18.505 -1.410 1.00 0.00 H new ATOM 1136 N CYS A 118 9.248 -12.771 -1.404 1.00 0.00 N ATOM 1137 CA CYS A 118 10.088 -11.680 -1.905 1.00 0.00 C ATOM 1138 C CYS A 118 11.531 -11.810 -1.407 1.00 0.00 C ATOM 1139 O CYS A 118 12.006 -10.977 -0.628 1.00 0.00 O ATOM 1140 CB CYS A 118 9.496 -10.334 -1.465 1.00 0.00 C ATOM 1141 SG CYS A 118 8.062 -9.799 -2.454 1.00 0.00 S ATOM 0 H CYS A 118 8.815 -13.339 -2.132 1.00 0.00 H new ATOM 0 HA CYS A 118 10.108 -11.734 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.198 -10.404 -0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.271 -9.570 -1.525 1.00 0.00 H new ATOM 1146 N GLU A 119 12.228 -12.851 -1.863 1.00 0.00 N ATOM 1147 CA GLU A 119 13.619 -13.077 -1.461 1.00 0.00 C ATOM 1148 C GLU A 119 14.526 -11.943 -1.956 1.00 0.00 C ATOM 1149 O GLU A 119 14.256 -11.331 -2.990 1.00 0.00 O ATOM 1150 CB GLU A 119 14.120 -14.432 -1.977 1.00 0.00 C ATOM 1151 CG GLU A 119 14.260 -14.512 -3.492 1.00 0.00 C ATOM 1152 CD GLU A 119 14.808 -15.847 -3.957 1.00 0.00 C ATOM 1153 OE1 GLU A 119 14.021 -16.818 -4.028 1.00 0.00 O ATOM 1154 OE2 GLU A 119 16.017 -15.928 -4.248 1.00 0.00 O ATOM 0 H GLU A 119 11.856 -13.548 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 119 13.656 -13.089 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.087 -14.646 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.433 -15.211 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.287 -14.343 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.918 -13.714 -3.835 1.00 0.00 H new ATOM 1161 N PRO A 120 15.602 -11.635 -1.201 1.00 0.00 N ATOM 1162 CA PRO A 120 16.535 -10.560 -1.539 1.00 0.00 C ATOM 1163 C PRO A 120 17.739 -11.017 -2.377 1.00 0.00 C ATOM 1164 O PRO A 120 17.770 -12.133 -2.894 1.00 0.00 O ATOM 1165 CB PRO A 120 16.983 -10.097 -0.154 1.00 0.00 C ATOM 1166 CG PRO A 120 16.976 -11.335 0.686 1.00 0.00 C ATOM 1167 CD PRO A 120 15.980 -12.289 0.065 1.00 0.00 C ATOM 0 HA PRO A 120 16.073 -9.794 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.976 -9.649 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.307 -9.343 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.969 -11.783 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 120 16.697 -11.102 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.422 -13.270 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.115 -12.439 0.711 1.00 0.00 H new ATOM 1175 N ILE A 121 18.737 -10.135 -2.486 1.00 0.00 N ATOM 1176 CA ILE A 121 19.965 -10.422 -3.233 1.00 0.00 C ATOM 1177 C ILE A 121 21.172 -10.396 -2.289 1.00 0.00 C ATOM 1178 O ILE A 121 20.995 -10.353 -1.071 1.00 0.00 O ATOM 1179 CB ILE A 121 20.185 -9.420 -4.392 1.00 0.00 C ATOM 1180 CG1 ILE A 121 20.413 -8.006 -3.858 1.00 0.00 C ATOM 1181 CG2 ILE A 121 19.005 -9.445 -5.353 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.395 -6.956 -4.943 1.00 0.00 C ATOM 0 H ILE A 121 18.717 -9.208 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 121 19.859 -11.416 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 121 21.080 -9.724 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.644 -7.773 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 121 21.371 -7.969 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.178 -8.734 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 121 18.895 -10.447 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 121 18.095 -9.172 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.562 -5.974 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.182 -7.167 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.428 -6.968 -5.445 1.00 0.00 H new ATOM 1260 N GLU B 230 20.469 -1.357 5.173 1.00 0.00 N ATOM 1261 CA GLU B 230 19.354 -0.409 5.162 1.00 0.00 C ATOM 1262 C GLU B 230 18.052 -1.090 4.738 1.00 0.00 C ATOM 1263 O GLU B 230 17.055 -1.040 5.465 1.00 0.00 O ATOM 1264 CB GLU B 230 19.672 0.758 4.225 1.00 0.00 C ATOM 1265 CG GLU B 230 20.001 2.053 4.953 1.00 0.00 C ATOM 1266 CD GLU B 230 18.817 2.997 5.030 1.00 0.00 C ATOM 1267 OE1 GLU B 230 18.980 4.215 4.961 1.00 0.00 O ATOM 0 HA GLU B 230 19.218 -0.030 6.175 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.515 0.484 3.590 1.00 0.00 H new ATOM 0 HB3 GLU B 230 18.819 0.927 3.567 1.00 0.00 H new ATOM 0 HG2 GLU B 230 20.342 1.821 5.962 1.00 0.00 H new ATOM 0 HG3 GLU B 230 20.826 2.552 4.444 1.00 0.00 H new ATOM 1274 N ALA B 231 18.067 -1.741 3.568 1.00 0.00 N ATOM 1275 CA ALA B 231 16.878 -2.445 3.066 1.00 0.00 C ATOM 1276 C ALA B 231 16.237 -3.315 4.156 1.00 0.00 C ATOM 1277 O ALA B 231 15.021 -3.523 4.162 1.00 0.00 O ATOM 1278 CB ALA B 231 17.228 -3.287 1.845 1.00 0.00 C ATOM 0 H ALA B 231 18.881 -1.796 2.955 1.00 0.00 H new ATOM 0 HA ALA B 231 16.148 -1.691 2.771 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.335 -3.800 1.489 1.00 0.00 H new ATOM 0 HB2 ALA B 231 17.615 -2.641 1.056 1.00 0.00 H new ATOM 0 HB3 ALA B 231 17.985 -4.023 2.115 1.00 0.00 H new ATOM 1284 N HIS B 232 17.062 -3.807 5.086 1.00 0.00 N ATOM 1285 CA HIS B 232 16.583 -4.636 6.191 1.00 0.00 C ATOM 1286 C HIS B 232 15.480 -3.918 6.972 1.00 0.00 C ATOM 1287 O HIS B 232 14.383 -4.455 7.141 1.00 0.00 O ATOM 1288 CB HIS B 232 17.751 -5.003 7.120 1.00 0.00 C ATOM 1289 CG HIS B 232 17.706 -6.400 7.654 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.615 -7.233 7.530 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.640 -7.106 8.324 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.882 -8.393 8.100 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.107 -8.345 8.590 1.00 0.00 N ATOM 0 H HIS B 232 18.069 -3.643 5.093 1.00 0.00 H new ATOM 0 HA HIS B 232 16.161 -5.552 5.778 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.687 -4.865 6.578 1.00 0.00 H new ATOM 0 HB3 HIS B 232 17.763 -4.307 7.959 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.625 -6.761 8.601 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.212 -9.238 8.156 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.580 -9.102 9.084 1.00 0.00 H new ATOM 1302 N LYS B 233 15.760 -2.688 7.415 1.00 0.00 N ATOM 1303 CA LYS B 233 14.765 -1.897 8.142 1.00 0.00 C ATOM 1304 C LYS B 233 13.581 -1.595 7.225 1.00 0.00 C ATOM 1305 O LYS B 233 12.428 -1.592 7.663 1.00 0.00 O ATOM 1306 CB LYS B 233 15.396 -0.604 8.701 1.00 0.00 C ATOM 1307 CG LYS B 233 15.082 0.667 7.912 1.00 0.00 C ATOM 1308 CD LYS B 233 16.349 1.337 7.401 1.00 0.00 C ATOM 1309 CE LYS B 233 16.070 2.219 6.192 1.00 0.00 C ATOM 1310 NZ LYS B 233 16.889 1.841 5.043 1.00 0.00 N ATOM 0 H LYS B 233 16.658 -2.223 7.284 1.00 0.00 H new ATOM 0 HA LYS B 233 14.402 -2.471 8.994 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.057 -0.468 9.728 1.00 0.00 H new ATOM 0 HB3 LYS B 233 16.478 -0.733 8.737 1.00 0.00 H new ATOM 0 HG2 LYS B 233 14.434 0.423 7.070 1.00 0.00 H new ATOM 0 HG3 LYS B 233 14.532 1.363 8.546 1.00 0.00 H new ATOM 0 HD2 LYS B 233 16.789 1.938 8.197 1.00 0.00 H new ATOM 0 HD3 LYS B 233 17.082 0.575 7.135 1.00 0.00 H new ATOM 0 HE2 LYS B 233 15.015 2.147 5.926 1.00 0.00 H new ATOM 0 HE3 LYS B 233 16.264 3.260 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 17.131 2.691 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 17.762 1.383 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 16.358 1.180 4.441 1.00 0.00 H new ATOM 1322 N ASN B 234 13.875 -1.374 5.942 1.00 0.00 N ATOM 1323 CA ASN B 234 12.832 -1.107 4.957 1.00 0.00 C ATOM 1324 C ASN B 234 11.870 -2.295 4.894 1.00 0.00 C ATOM 1325 O ASN B 234 10.665 -2.137 5.097 1.00 0.00 O ATOM 1326 CB ASN B 234 13.453 -0.831 3.585 1.00 0.00 C ATOM 1327 CG ASN B 234 14.316 0.420 3.583 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.527 0.355 3.373 1.00 0.00 O ATOM 1329 ND2 ASN B 234 13.707 1.570 3.831 1.00 0.00 N ATOM 0 H ASN B 234 14.823 -1.375 5.565 1.00 0.00 H new ATOM 0 HA ASN B 234 12.273 -0.220 5.255 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.057 -1.687 3.283 1.00 0.00 H new ATOM 0 HB3 ASN B 234 12.660 -0.724 2.845 1.00 0.00 H new ATOM 0 HD21 ASN B 234 14.244 2.437 3.852 1.00 0.00 H new ATOM 0 HD22 ASN B 234 12.701 1.588 4.001 1.00 0.00 H new ATOM 1336 N ARG B 235 12.414 -3.491 4.645 1.00 0.00 N ATOM 1337 CA ARG B 235 11.597 -4.699 4.599 1.00 0.00 C ATOM 1338 C ARG B 235 10.954 -4.967 5.956 1.00 0.00 C ATOM 1339 O ARG B 235 9.803 -5.382 6.019 1.00 0.00 O ATOM 1340 CB ARG B 235 12.420 -5.912 4.168 1.00 0.00 C ATOM 1341 CG ARG B 235 12.643 -5.982 2.676 1.00 0.00 C ATOM 1342 CD ARG B 235 11.331 -6.030 1.913 1.00 0.00 C ATOM 1343 NE ARG B 235 11.511 -6.730 0.650 1.00 0.00 N ATOM 1344 CZ ARG B 235 11.576 -8.046 0.531 1.00 0.00 C ATOM 1345 NH1 ARG B 235 11.234 -8.838 1.528 1.00 0.00 N ATOM 1346 NH2 ARG B 235 11.972 -8.572 -0.600 1.00 0.00 N ATOM 0 H ARG B 235 13.408 -3.644 4.474 1.00 0.00 H new ATOM 0 HA ARG B 235 10.813 -4.535 3.859 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.386 -5.885 4.672 1.00 0.00 H new ATOM 0 HB3 ARG B 235 11.915 -6.820 4.496 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.220 -5.115 2.353 1.00 0.00 H new ATOM 0 HG3 ARG B 235 13.235 -6.866 2.438 1.00 0.00 H new ATOM 0 HD2 ARG B 235 10.572 -6.533 2.511 1.00 0.00 H new ATOM 0 HD3 ARG B 235 10.972 -5.018 1.728 1.00 0.00 H new ATOM 0 HE ARG B 235 11.592 -6.170 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG B 235 10.913 -8.438 2.410 1.00 0.00 H new ATOM 0 HH12 ARG B 235 11.291 -9.850 1.418 1.00 0.00 H new ATOM 0 HH21 ARG B 235 12.228 -7.968 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG B 235 12.025 -9.586 -0.700 1.00 0.00 H new ATOM 1360 N LYS B 236 11.692 -4.715 7.044 1.00 0.00 N ATOM 1361 CA LYS B 236 11.161 -4.916 8.395 1.00 0.00 C ATOM 1362 C LYS B 236 9.791 -4.256 8.527 1.00 0.00 C ATOM 1363 O LYS B 236 8.868 -4.829 9.105 1.00 0.00 O ATOM 1364 CB LYS B 236 12.129 -4.344 9.433 1.00 0.00 C ATOM 1365 CG LYS B 236 12.076 -5.054 10.773 1.00 0.00 C ATOM 1366 CD LYS B 236 12.808 -6.387 10.727 1.00 0.00 C ATOM 1367 CE LYS B 236 12.681 -7.141 12.041 1.00 0.00 C ATOM 1368 NZ LYS B 236 11.543 -8.103 12.017 1.00 0.00 N ATOM 0 H LYS B 236 12.653 -4.374 7.015 1.00 0.00 H new ATOM 0 HA LYS B 236 11.051 -5.986 8.573 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.144 -4.402 9.041 1.00 0.00 H new ATOM 0 HB3 LYS B 236 11.905 -3.288 9.582 1.00 0.00 H new ATOM 0 HG2 LYS B 236 12.521 -4.420 11.540 1.00 0.00 H new ATOM 0 HG3 LYS B 236 11.037 -5.218 11.058 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.406 -6.996 9.917 1.00 0.00 H new ATOM 0 HD3 LYS B 236 13.861 -6.217 10.505 1.00 0.00 H new ATOM 0 HE2 LYS B 236 13.608 -7.678 12.243 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.540 -6.431 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 11.509 -8.623 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 10.652 -7.584 11.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 11.673 -8.775 11.234 1.00 0.00 H new ATOM 1382 N LEU B 237 9.663 -3.061 7.956 1.00 0.00 N ATOM 1383 CA LEU B 237 8.398 -2.327 7.977 1.00 0.00 C ATOM 1384 C LEU B 237 7.248 -3.189 7.425 1.00 0.00 C ATOM 1385 O LEU B 237 6.083 -2.968 7.765 1.00 0.00 O ATOM 1386 CB LEU B 237 8.537 -1.034 7.158 1.00 0.00 C ATOM 1387 CG LEU B 237 7.556 0.089 7.510 1.00 0.00 C ATOM 1388 CD1 LEU B 237 7.689 0.494 8.970 1.00 0.00 C ATOM 1389 CD2 LEU B 237 7.787 1.291 6.611 1.00 0.00 C ATOM 0 H LEU B 237 10.420 -2.579 7.472 1.00 0.00 H new ATOM 0 HA LEU B 237 8.160 -2.076 9.011 1.00 0.00 H new ATOM 0 HB2 LEU B 237 9.552 -0.656 7.281 1.00 0.00 H new ATOM 0 HB3 LEU B 237 8.415 -1.280 6.103 1.00 0.00 H new ATOM 0 HG LEU B 237 6.544 -0.284 7.351 1.00 0.00 H new ATOM 0 HD11 LEU B 237 6.981 1.293 9.192 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.478 -0.365 9.607 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.703 0.845 9.159 1.00 0.00 H new ATOM 0 HD21 LEU B 237 7.083 2.081 6.872 1.00 0.00 H new ATOM 0 HD22 LEU B 237 8.806 1.654 6.744 1.00 0.00 H new ATOM 0 HD23 LEU B 237 7.638 1.001 5.571 1.00 0.00 H new ATOM 1420 N GLU B 239 6.475 -6.439 7.995 1.00 0.00 N ATOM 1421 CA GLU B 239 5.809 -7.170 9.074 1.00 0.00 C ATOM 1422 C GLU B 239 4.699 -6.332 9.716 1.00 0.00 C ATOM 1423 O GLU B 239 3.692 -6.872 10.181 1.00 0.00 O ATOM 1424 CB GLU B 239 6.825 -7.621 10.129 1.00 0.00 C ATOM 1425 CG GLU B 239 7.160 -6.560 11.166 1.00 0.00 C ATOM 1426 CD GLU B 239 8.436 -6.867 11.917 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.497 -6.988 11.264 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.382 -6.999 13.155 1.00 0.00 O ATOM 0 HA GLU B 239 5.346 -8.055 8.638 1.00 0.00 H new ATOM 0 HB2 GLU B 239 6.435 -8.502 10.640 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.743 -7.924 9.626 1.00 0.00 H new ATOM 0 HG2 GLU B 239 7.256 -5.592 10.673 1.00 0.00 H new ATOM 0 HG3 GLU B 239 6.336 -6.476 11.875 1.00 0.00 H new ATOM 1435 N ILE B 240 4.878 -5.010 9.718 1.00 0.00 N ATOM 1436 CA ILE B 240 3.885 -4.096 10.285 1.00 0.00 C ATOM 1437 C ILE B 240 2.670 -3.929 9.358 1.00 0.00 C ATOM 1438 O ILE B 240 1.588 -3.542 9.804 1.00 0.00 O ATOM 1439 CB ILE B 240 4.499 -2.706 10.552 1.00 0.00 C ATOM 1440 CG1 ILE B 240 5.796 -2.825 11.349 1.00 0.00 C ATOM 1441 CG2 ILE B 240 3.514 -1.816 11.294 1.00 0.00 C ATOM 1442 CD1 ILE B 240 6.797 -1.750 10.999 1.00 0.00 C ATOM 0 H ILE B 240 5.702 -4.548 9.333 1.00 0.00 H new ATOM 0 HA ILE B 240 3.556 -4.539 11.225 1.00 0.00 H new ATOM 0 HB ILE B 240 4.725 -2.252 9.587 1.00 0.00 H new ATOM 0 HG12 ILE B 240 5.569 -2.772 12.414 1.00 0.00 H new ATOM 0 HG13 ILE B 240 6.241 -3.803 11.167 1.00 0.00 H new ATOM 0 HG21 ILE B 240 3.967 -0.841 11.472 1.00 0.00 H new ATOM 0 HG22 ILE B 240 2.612 -1.693 10.695 1.00 0.00 H new ATOM 0 HG23 ILE B 240 3.256 -2.276 12.248 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.699 -1.884 11.596 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.049 -1.818 9.941 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.367 -0.770 11.207 1.00 0.00 H new ATOM 1454 N ILE B 241 2.856 -4.217 8.068 1.00 0.00 N ATOM 1455 CA ILE B 241 1.793 -4.094 7.070 1.00 0.00 C ATOM 1456 C ILE B 241 0.617 -5.025 7.379 1.00 0.00 C ATOM 1457 O ILE B 241 -0.521 -4.763 6.966 1.00 0.00 O ATOM 1458 CB ILE B 241 2.333 -4.399 5.648 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.507 -3.481 5.286 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.237 -4.255 4.610 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.600 -2.221 6.117 1.00 0.00 C ATOM 0 H ILE B 241 3.745 -4.541 7.687 1.00 0.00 H new ATOM 0 HA ILE B 241 1.438 -3.064 7.108 1.00 0.00 H new ATOM 0 HB ILE B 241 2.687 -5.430 5.653 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.436 -4.041 5.394 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.423 -3.202 4.236 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.641 -4.474 3.622 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.429 -4.952 4.835 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.852 -3.236 4.627 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.458 -1.633 5.792 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.690 -1.634 5.991 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.719 -2.486 7.168 1.00 0.00 H new