USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=21 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 114 ASN : amide:sc= 0.547 K(o=-1.7,f=-9.8!) USER MOD Set 1.2: A 117 HIS : no HE2:sc= -2.27! C(o=-1.7!,f=-11!) USER MOD Set 2.1: A 98 ASN :FLIP amide:sc= -1.7! C(o=-3.2!,f=-1.7!) USER MOD Set 2.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 87 TYR OH : rot -26:sc= 1.71 USER MOD Set 3.2: A 95 THR OG1 : rot 166:sc= -0.261! USER MOD Set 4.1: A 89 ASN : amide:sc= -3.81! C(o=-8.2!,f=-16!) USER MOD Set 4.2: B 234 ASN : amide:sc= -4.42 K(o=-8.2,f=-10!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.398 K(o=0.4,f=-0.19) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 132:sc= 0.813 USER MOD Single : A 66 GLN : amide:sc= -1.99! C(o=-2!,f=-6.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 73 GLN : amide:sc= -0.0495 K(o=-0.049,f=-1.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= -2.6! (180deg=-3.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 111 SER OG : rot 180:sc= 0.452 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.802 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 232 HIS : no HE2:sc= -0.154 K(o=-0.15,f=-2.9!) USER MOD Single : B 233 LYS NZ :NH3+ 143:sc= -12.9! (180deg=-18.8!) USER MOD Single : B 236 LYS NZ :NH3+ -153:sc= 0.93 (180deg=-0.172!) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.339 -5.352 -0.809 1.00 0.00 N ATOM 230 CA TYR A 59 -16.412 -4.359 -1.333 1.00 0.00 C ATOM 231 C TYR A 59 -15.240 -4.094 -0.381 1.00 0.00 C ATOM 232 O TYR A 59 -15.348 -4.273 0.830 1.00 0.00 O ATOM 233 CB TYR A 59 -17.155 -3.049 -1.586 1.00 0.00 C ATOM 234 CG TYR A 59 -18.201 -2.717 -0.538 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.844 -2.540 0.793 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.540 -2.583 -0.880 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.791 -2.241 1.753 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.494 -2.282 0.076 1.00 0.00 C ATOM 239 CZ TYR A 59 -20.113 -2.113 1.389 1.00 0.00 C ATOM 240 OH TYR A 59 -21.058 -1.814 2.341 1.00 0.00 O ATOM 0 HA TYR A 59 -16.003 -4.756 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.431 -2.236 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -17.638 -3.100 -2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.808 -2.638 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.842 -2.716 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.496 -2.108 2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.532 -2.180 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.941 -1.758 1.919 1.00 0.00 H new ATOM 250 N CYS A 60 -14.133 -3.641 -0.957 1.00 0.00 N ATOM 251 CA CYS A 60 -12.922 -3.304 -0.209 1.00 0.00 C ATOM 252 C CYS A 60 -12.335 -2.012 -0.766 1.00 0.00 C ATOM 253 O CYS A 60 -11.845 -1.989 -1.894 1.00 0.00 O ATOM 254 CB CYS A 60 -11.881 -4.423 -0.313 1.00 0.00 C ATOM 255 SG CYS A 60 -12.119 -5.794 0.859 1.00 0.00 S ATOM 0 H CYS A 60 -14.047 -3.495 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.185 -3.178 0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.897 -4.823 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.891 -3.995 -0.155 1.00 0.00 H new ATOM 260 N ASN A 61 -12.405 -0.939 0.009 1.00 0.00 N ATOM 261 CA ASN A 61 -11.890 0.360 -0.432 1.00 0.00 C ATOM 262 C ASN A 61 -10.362 0.365 -0.523 1.00 0.00 C ATOM 263 O ASN A 61 -9.690 -0.474 0.081 1.00 0.00 O ATOM 264 CB ASN A 61 -12.352 1.463 0.531 1.00 0.00 C ATOM 265 CG ASN A 61 -11.956 1.188 1.971 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.753 0.684 2.756 1.00 0.00 O ATOM 267 ND2 ASN A 61 -10.718 1.508 2.326 1.00 0.00 N ATOM 0 H ASN A 61 -12.811 -0.937 0.945 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.287 0.549 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.926 2.416 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.436 1.563 0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.401 1.336 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.084 1.926 1.645 1.00 0.00 H new ATOM 274 N THR A 62 -9.815 1.330 -1.264 1.00 0.00 N ATOM 275 CA THR A 62 -8.361 1.460 -1.396 1.00 0.00 C ATOM 276 C THR A 62 -7.715 1.515 -0.008 1.00 0.00 C ATOM 277 O THR A 62 -8.289 2.092 0.921 1.00 0.00 O ATOM 278 CB THR A 62 -8.002 2.724 -2.183 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.667 3.859 -1.647 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.362 2.640 -3.649 1.00 0.00 C ATOM 0 H THR A 62 -10.351 2.029 -1.779 1.00 0.00 H new ATOM 0 HA THR A 62 -7.984 0.593 -1.938 1.00 0.00 H new ATOM 0 HB THR A 62 -6.920 2.818 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.422 4.655 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.081 3.568 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.829 1.807 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.436 2.485 -3.752 1.00 0.00 H new ATOM 288 N THR A 63 -6.539 0.910 0.135 1.00 0.00 N ATOM 289 CA THR A 63 -5.842 0.883 1.423 1.00 0.00 C ATOM 290 C THR A 63 -4.355 1.187 1.262 1.00 0.00 C ATOM 291 O THR A 63 -3.671 0.586 0.435 1.00 0.00 O ATOM 292 CB THR A 63 -6.057 -0.487 2.093 1.00 0.00 C ATOM 293 OG1 THR A 63 -6.723 -0.342 3.335 1.00 0.00 O ATOM 294 CG2 THR A 63 -4.793 -1.275 2.364 1.00 0.00 C ATOM 0 H THR A 63 -6.048 0.433 -0.621 1.00 0.00 H new ATOM 0 HA THR A 63 -6.258 1.663 2.061 1.00 0.00 H new ATOM 0 HB THR A 63 -6.649 -1.040 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.468 -0.977 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.050 -2.223 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.275 -1.466 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.143 -0.704 3.027 1.00 0.00 H new ATOM 302 N LEU A 64 -3.853 2.118 2.067 1.00 0.00 N ATOM 303 CA LEU A 64 -2.440 2.482 2.013 1.00 0.00 C ATOM 304 C LEU A 64 -1.669 1.846 3.161 1.00 0.00 C ATOM 305 O LEU A 64 -2.194 1.667 4.261 1.00 0.00 O ATOM 306 CB LEU A 64 -2.268 3.996 2.027 1.00 0.00 C ATOM 307 CG LEU A 64 -0.836 4.496 1.822 1.00 0.00 C ATOM 308 CD1 LEU A 64 -0.795 5.576 0.752 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.263 5.021 3.127 1.00 0.00 C ATOM 0 H LEU A 64 -4.398 2.631 2.760 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.033 2.100 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.899 4.424 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.635 4.378 2.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.225 3.657 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.231 5.919 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.165 5.170 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.421 6.414 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.756 5.372 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.877 5.846 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.256 4.222 3.869 1.00 0.00 H new ATOM 321 N ASP A 65 -0.424 1.495 2.877 1.00 0.00 N ATOM 322 CA ASP A 65 0.448 0.855 3.855 1.00 0.00 C ATOM 323 C ASP A 65 1.545 1.807 4.344 1.00 0.00 C ATOM 324 O ASP A 65 1.986 2.691 3.608 1.00 0.00 O ATOM 325 CB ASP A 65 1.066 -0.400 3.238 1.00 0.00 C ATOM 326 CG ASP A 65 0.068 -1.530 3.044 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.116 -1.374 3.421 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.477 -2.584 2.508 1.00 0.00 O ATOM 0 H ASP A 65 0.011 1.644 1.966 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.152 0.580 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.506 -0.144 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.878 -0.748 3.876 1.00 0.00 H new ATOM 333 N GLN A 66 1.976 1.615 5.594 1.00 0.00 N ATOM 334 CA GLN A 66 3.023 2.451 6.208 1.00 0.00 C ATOM 335 C GLN A 66 4.246 2.623 5.296 1.00 0.00 C ATOM 336 O GLN A 66 4.787 3.722 5.178 1.00 0.00 O ATOM 337 CB GLN A 66 3.453 1.845 7.548 1.00 0.00 C ATOM 338 CG GLN A 66 3.844 2.887 8.591 1.00 0.00 C ATOM 339 CD GLN A 66 5.316 3.256 8.549 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.143 2.621 9.195 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.651 4.294 7.797 1.00 0.00 N ATOM 0 H GLN A 66 1.616 0.884 6.208 1.00 0.00 H new ATOM 0 HA GLN A 66 2.596 3.441 6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.638 1.238 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.297 1.176 7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.247 3.786 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.600 2.507 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.934 4.797 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.626 4.590 7.741 1.00 0.00 H new ATOM 350 N ILE A 67 4.675 1.534 4.653 1.00 0.00 N ATOM 351 CA ILE A 67 5.831 1.562 3.751 1.00 0.00 C ATOM 352 C ILE A 67 5.559 2.413 2.501 1.00 0.00 C ATOM 353 O ILE A 67 6.490 2.840 1.818 1.00 0.00 O ATOM 354 CB ILE A 67 6.230 0.133 3.306 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.605 -0.731 4.510 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.395 0.183 2.324 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.794 -2.192 4.162 1.00 0.00 C ATOM 0 H ILE A 67 4.237 0.617 4.741 1.00 0.00 H new ATOM 0 HA ILE A 67 6.650 2.011 4.313 1.00 0.00 H new ATOM 0 HB ILE A 67 5.368 -0.314 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.525 -0.348 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.827 -0.643 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.661 -0.830 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.105 0.759 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.253 0.657 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.059 -2.749 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.868 -2.590 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.592 -2.290 3.426 1.00 0.00 H new ATOM 369 N GLY A 68 4.279 2.649 2.204 1.00 0.00 N ATOM 370 CA GLY A 68 3.912 3.437 1.036 1.00 0.00 C ATOM 371 C GLY A 68 2.981 2.696 0.090 1.00 0.00 C ATOM 372 O GLY A 68 2.314 3.318 -0.736 1.00 0.00 O ATOM 0 H GLY A 68 3.490 2.308 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.431 4.359 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.816 3.722 0.498 1.00 0.00 H new ATOM 376 N THR A 69 2.935 1.365 0.202 1.00 0.00 N ATOM 377 CA THR A 69 2.075 0.547 -0.660 1.00 0.00 C ATOM 378 C THR A 69 0.631 1.053 -0.646 1.00 0.00 C ATOM 379 O THR A 69 0.112 1.446 0.400 1.00 0.00 O ATOM 380 CB THR A 69 2.115 -0.926 -0.227 1.00 0.00 C ATOM 381 OG1 THR A 69 3.296 -1.551 -0.693 1.00 0.00 O ATOM 382 CG2 THR A 69 0.945 -1.743 -0.737 1.00 0.00 C ATOM 0 H THR A 69 3.481 0.832 0.879 1.00 0.00 H new ATOM 0 HA THR A 69 2.459 0.629 -1.677 1.00 0.00 H new ATOM 0 HB THR A 69 2.073 -0.901 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.305 -2.488 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.042 -2.772 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.014 -1.320 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.937 -1.726 -1.827 1.00 0.00 H new ATOM 390 N CYS A 70 -0.013 1.026 -1.810 1.00 0.00 N ATOM 391 CA CYS A 70 -1.402 1.468 -1.930 1.00 0.00 C ATOM 392 C CYS A 70 -2.261 0.387 -2.580 1.00 0.00 C ATOM 393 O CYS A 70 -2.197 0.168 -3.791 1.00 0.00 O ATOM 394 CB CYS A 70 -1.490 2.771 -2.728 1.00 0.00 C ATOM 395 SG CYS A 70 -2.639 3.995 -2.017 1.00 0.00 S ATOM 0 H CYS A 70 0.403 0.703 -2.683 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.784 1.653 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.496 3.214 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.803 2.542 -3.747 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.646 5.064 -2.757 1.00 0.00 H new ATOM 400 N TRP A 71 -3.062 -0.281 -1.761 1.00 0.00 N ATOM 401 CA TRP A 71 -3.947 -1.343 -2.227 1.00 0.00 C ATOM 402 C TRP A 71 -5.247 -0.754 -2.782 1.00 0.00 C ATOM 403 O TRP A 71 -6.010 -0.128 -2.047 1.00 0.00 O ATOM 404 CB TRP A 71 -4.234 -2.313 -1.077 1.00 0.00 C ATOM 405 CG TRP A 71 -2.990 -2.934 -0.507 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.199 -2.439 0.493 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.385 -4.166 -0.917 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.147 -3.289 0.726 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.237 -4.355 -0.126 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.705 -5.128 -1.874 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.408 -5.464 -0.267 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.884 -6.230 -2.014 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.746 -6.391 -1.215 1.00 0.00 C ATOM 0 H TRP A 71 -3.118 -0.104 -0.758 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.457 -1.889 -3.033 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.764 -1.783 -0.286 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.897 -3.102 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.376 -1.514 1.022 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.415 -3.148 1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.581 -5.013 -2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.470 -5.588 0.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.124 -6.980 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.123 -7.263 -1.349 1.00 0.00 H new ATOM 424 N PRO A 72 -5.503 -0.922 -4.095 1.00 0.00 N ATOM 425 CA PRO A 72 -6.708 -0.378 -4.749 1.00 0.00 C ATOM 426 C PRO A 72 -8.012 -1.067 -4.326 1.00 0.00 C ATOM 427 O PRO A 72 -8.001 -2.147 -3.733 1.00 0.00 O ATOM 428 CB PRO A 72 -6.434 -0.609 -6.238 1.00 0.00 C ATOM 429 CG PRO A 72 -5.495 -1.764 -6.275 1.00 0.00 C ATOM 430 CD PRO A 72 -4.630 -1.630 -5.054 1.00 0.00 C ATOM 0 HA PRO A 72 -6.865 0.666 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.354 -0.829 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.994 0.274 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.038 -2.709 -6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.893 -1.749 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.319 -2.603 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.722 -1.065 -5.264 1.00 0.00 H new ATOM 438 N GLN A 73 -9.138 -0.414 -4.639 1.00 0.00 N ATOM 439 CA GLN A 73 -10.469 -0.928 -4.307 1.00 0.00 C ATOM 440 C GLN A 73 -10.682 -2.351 -4.837 1.00 0.00 C ATOM 441 O GLN A 73 -10.251 -2.693 -5.938 1.00 0.00 O ATOM 442 CB GLN A 73 -11.551 0.002 -4.868 1.00 0.00 C ATOM 443 CG GLN A 73 -12.790 0.108 -3.987 1.00 0.00 C ATOM 444 CD GLN A 73 -13.972 -0.676 -4.526 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.810 -1.629 -5.282 1.00 0.00 O ATOM 446 NE2 GLN A 73 -15.174 -0.282 -4.135 1.00 0.00 N ATOM 0 H GLN A 73 -9.151 0.481 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.543 -0.962 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.127 0.997 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.848 -0.355 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.549 -0.251 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.071 1.157 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.270 0.515 -3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.004 -0.775 -4.463 1.00 0.00 H new ATOM 455 N SER A 74 -11.355 -3.165 -4.032 1.00 0.00 N ATOM 456 CA SER A 74 -11.646 -4.557 -4.377 1.00 0.00 C ATOM 457 C SER A 74 -12.825 -5.068 -3.536 1.00 0.00 C ATOM 458 O SER A 74 -13.759 -4.310 -3.264 1.00 0.00 O ATOM 459 CB SER A 74 -10.388 -5.404 -4.154 1.00 0.00 C ATOM 460 OG SER A 74 -10.239 -6.370 -5.182 1.00 0.00 O ATOM 0 H SER A 74 -11.716 -2.881 -3.121 1.00 0.00 H new ATOM 0 HA SER A 74 -11.931 -4.632 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.510 -4.758 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.447 -5.903 -3.187 1.00 0.00 H new ATOM 0 HG SER A 74 -9.429 -6.898 -5.020 1.00 0.00 H new ATOM 466 N ALA A 75 -12.779 -6.334 -3.107 1.00 0.00 N ATOM 467 CA ALA A 75 -13.843 -6.909 -2.275 1.00 0.00 C ATOM 468 C ALA A 75 -13.312 -8.073 -1.424 1.00 0.00 C ATOM 469 O ALA A 75 -12.197 -8.553 -1.643 1.00 0.00 O ATOM 470 CB ALA A 75 -15.025 -7.349 -3.134 1.00 0.00 C ATOM 0 H ALA A 75 -12.019 -6.979 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.193 -6.134 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.801 -7.772 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.425 -6.489 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.694 -8.101 -3.850 1.00 0.00 H new ATOM 476 N PRO A 76 -14.101 -8.527 -0.427 1.00 0.00 N ATOM 477 CA PRO A 76 -13.713 -9.624 0.479 1.00 0.00 C ATOM 478 C PRO A 76 -13.390 -10.935 -0.239 1.00 0.00 C ATOM 479 O PRO A 76 -13.812 -11.160 -1.375 1.00 0.00 O ATOM 480 CB PRO A 76 -14.949 -9.814 1.367 1.00 0.00 C ATOM 481 CG PRO A 76 -16.057 -9.141 0.643 1.00 0.00 C ATOM 482 CD PRO A 76 -15.428 -7.995 -0.087 1.00 0.00 C ATOM 0 HA PRO A 76 -12.799 -9.371 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.164 -10.871 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.797 -9.373 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.545 -9.826 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.822 -8.791 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.995 -7.719 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.361 -7.104 0.537 1.00 0.00 H new ATOM 490 N GLY A 77 -12.638 -11.799 0.447 1.00 0.00 N ATOM 491 CA GLY A 77 -12.259 -13.088 -0.118 1.00 0.00 C ATOM 492 C GLY A 77 -11.436 -12.951 -1.389 1.00 0.00 C ATOM 493 O GLY A 77 -11.577 -13.746 -2.319 1.00 0.00 O ATOM 0 H GLY A 77 -12.283 -11.628 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.688 -13.651 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.159 -13.665 -0.333 1.00 0.00 H new ATOM 497 N ALA A 78 -10.576 -11.934 -1.420 1.00 0.00 N ATOM 498 CA ALA A 78 -9.721 -11.672 -2.570 1.00 0.00 C ATOM 499 C ALA A 78 -8.271 -11.446 -2.133 1.00 0.00 C ATOM 500 O ALA A 78 -7.923 -10.373 -1.632 1.00 0.00 O ATOM 501 CB ALA A 78 -10.247 -10.467 -3.346 1.00 0.00 C ATOM 0 H ALA A 78 -10.455 -11.274 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.739 -12.545 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.602 -10.277 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.261 -10.671 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.254 -9.591 -2.697 1.00 0.00 H new ATOM 507 N LEU A 79 -7.426 -12.459 -2.326 1.00 0.00 N ATOM 508 CA LEU A 79 -6.020 -12.361 -1.953 1.00 0.00 C ATOM 509 C LEU A 79 -5.269 -11.461 -2.930 1.00 0.00 C ATOM 510 O LEU A 79 -4.508 -11.928 -3.781 1.00 0.00 O ATOM 511 CB LEU A 79 -5.395 -13.759 -1.896 1.00 0.00 C ATOM 512 CG LEU A 79 -4.332 -13.981 -0.810 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.197 -14.837 -1.346 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.793 -12.658 -0.282 1.00 0.00 C ATOM 0 H LEU A 79 -7.692 -13.353 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.946 -11.912 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.194 -14.486 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.945 -13.973 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.808 -14.504 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.452 -14.985 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.588 -15.804 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.735 -14.337 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.043 -12.851 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.340 -12.097 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.610 -12.078 0.147 1.00 0.00 H new ATOM 526 N VAL A 80 -5.502 -10.161 -2.793 1.00 0.00 N ATOM 527 CA VAL A 80 -4.875 -9.160 -3.647 1.00 0.00 C ATOM 528 C VAL A 80 -3.355 -9.146 -3.470 1.00 0.00 C ATOM 529 O VAL A 80 -2.846 -9.003 -2.355 1.00 0.00 O ATOM 530 CB VAL A 80 -5.439 -7.753 -3.352 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.757 -6.708 -4.215 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.945 -7.721 -3.568 1.00 0.00 C ATOM 0 H VAL A 80 -6.129 -9.772 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.104 -9.430 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.236 -7.520 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.170 -5.725 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.687 -6.708 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.924 -6.940 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.322 -6.721 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.170 -7.981 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.423 -8.439 -2.902 1.00 0.00 H new ATOM 542 N GLU A 81 -2.638 -9.296 -4.581 1.00 0.00 N ATOM 543 CA GLU A 81 -1.178 -9.297 -4.565 1.00 0.00 C ATOM 544 C GLU A 81 -0.626 -7.949 -5.039 1.00 0.00 C ATOM 545 O GLU A 81 -1.289 -7.220 -5.780 1.00 0.00 O ATOM 546 CB GLU A 81 -0.639 -10.437 -5.434 1.00 0.00 C ATOM 547 CG GLU A 81 -0.953 -10.287 -6.919 1.00 0.00 C ATOM 548 CD GLU A 81 -2.237 -10.986 -7.321 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.322 -10.482 -6.964 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.154 -12.036 -7.989 1.00 0.00 O ATOM 0 H GLU A 81 -3.047 -9.419 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.846 -9.454 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.442 -10.498 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.056 -11.379 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.029 -9.228 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.126 -10.691 -7.503 1.00 0.00 H new ATOM 557 N ARG A 82 0.586 -7.612 -4.598 1.00 0.00 N ATOM 558 CA ARG A 82 1.209 -6.341 -4.971 1.00 0.00 C ATOM 559 C ARG A 82 2.735 -6.399 -4.863 1.00 0.00 C ATOM 560 O ARG A 82 3.280 -7.093 -4.002 1.00 0.00 O ATOM 561 CB ARG A 82 0.686 -5.220 -4.067 1.00 0.00 C ATOM 562 CG ARG A 82 -0.465 -4.421 -4.665 1.00 0.00 C ATOM 563 CD ARG A 82 0.022 -3.193 -5.423 1.00 0.00 C ATOM 564 NE ARG A 82 1.058 -2.456 -4.688 1.00 0.00 N ATOM 565 CZ ARG A 82 1.820 -1.509 -5.217 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.667 -1.150 -6.476 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.740 -0.919 -4.482 1.00 0.00 N ATOM 0 H ARG A 82 1.154 -8.197 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 82 0.948 -6.143 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.360 -5.653 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.506 -4.539 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.037 -5.059 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.142 -4.110 -3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.416 -3.500 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.822 -2.531 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 82 1.201 -2.688 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.957 -1.602 -7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.258 -0.420 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.866 -1.191 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.327 -0.190 -4.888 1.00 0.00 H new ATOM 581 N PRO A 83 3.448 -5.647 -5.725 1.00 0.00 N ATOM 582 CA PRO A 83 4.915 -5.601 -5.702 1.00 0.00 C ATOM 583 C PRO A 83 5.437 -5.024 -4.386 1.00 0.00 C ATOM 584 O PRO A 83 5.084 -3.906 -4.001 1.00 0.00 O ATOM 585 CB PRO A 83 5.268 -4.682 -6.877 1.00 0.00 C ATOM 586 CG PRO A 83 4.040 -3.872 -7.113 1.00 0.00 C ATOM 587 CD PRO A 83 2.887 -4.770 -6.768 1.00 0.00 C ATOM 0 HA PRO A 83 5.363 -6.591 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.121 -4.046 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.537 -5.258 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.037 -2.976 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.982 -3.542 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.031 -4.204 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.546 -5.339 -7.633 1.00 0.00 H new ATOM 595 N CYS A 84 6.269 -5.800 -3.693 1.00 0.00 N ATOM 596 CA CYS A 84 6.829 -5.373 -2.410 1.00 0.00 C ATOM 597 C CYS A 84 7.809 -4.213 -2.577 1.00 0.00 C ATOM 598 O CYS A 84 8.791 -4.320 -3.315 1.00 0.00 O ATOM 599 CB CYS A 84 7.547 -6.529 -1.716 1.00 0.00 C ATOM 600 SG CYS A 84 6.686 -8.130 -1.804 1.00 0.00 S ATOM 0 H CYS A 84 6.570 -6.726 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 84 5.990 -5.040 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.537 -6.641 -2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.694 -6.269 -0.668 1.00 0.00 H new ATOM 605 N PRO A 85 7.569 -3.091 -1.876 1.00 0.00 N ATOM 606 CA PRO A 85 8.448 -1.919 -1.941 1.00 0.00 C ATOM 607 C PRO A 85 9.790 -2.146 -1.233 1.00 0.00 C ATOM 608 O PRO A 85 10.197 -1.361 -0.373 1.00 0.00 O ATOM 609 CB PRO A 85 7.630 -0.829 -1.240 1.00 0.00 C ATOM 610 CG PRO A 85 6.753 -1.570 -0.294 1.00 0.00 C ATOM 611 CD PRO A 85 6.431 -2.880 -0.958 1.00 0.00 C ATOM 0 HA PRO A 85 8.723 -1.668 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.275 -0.125 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.044 -0.251 -1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.257 -1.730 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.844 -1.007 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.346 -3.688 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.484 -2.835 -1.496 1.00 0.00 H new ATOM 619 N GLU A 86 10.492 -3.211 -1.628 1.00 0.00 N ATOM 620 CA GLU A 86 11.803 -3.528 -1.053 1.00 0.00 C ATOM 621 C GLU A 86 12.835 -2.472 -1.453 1.00 0.00 C ATOM 622 O GLU A 86 13.906 -2.376 -0.853 1.00 0.00 O ATOM 623 CB GLU A 86 12.268 -4.916 -1.499 1.00 0.00 C ATOM 624 CG GLU A 86 12.101 -6.004 -0.443 1.00 0.00 C ATOM 625 CD GLU A 86 10.804 -5.904 0.328 1.00 0.00 C ATOM 626 OE1 GLU A 86 9.808 -6.507 -0.116 1.00 0.00 O ATOM 627 OE2 GLU A 86 10.789 -5.235 1.377 1.00 0.00 O ATOM 0 H GLU A 86 10.176 -3.867 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 86 11.706 -3.527 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.711 -5.203 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.319 -4.860 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.152 -6.979 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.935 -5.951 0.257 1.00 0.00 H new ATOM 634 N TYR A 87 12.494 -1.667 -2.461 1.00 0.00 N ATOM 635 CA TYR A 87 13.373 -0.599 -2.930 1.00 0.00 C ATOM 636 C TYR A 87 13.135 0.697 -2.135 1.00 0.00 C ATOM 637 O TYR A 87 13.611 1.767 -2.514 1.00 0.00 O ATOM 638 CB TYR A 87 13.173 -0.347 -4.436 1.00 0.00 C ATOM 639 CG TYR A 87 12.682 -1.552 -5.224 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.172 -2.828 -4.970 1.00 0.00 C ATOM 641 CD2 TYR A 87 11.727 -1.406 -6.223 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.725 -3.922 -5.686 1.00 0.00 C ATOM 643 CE2 TYR A 87 11.277 -2.498 -6.945 1.00 0.00 C ATOM 644 CZ TYR A 87 11.777 -3.752 -6.673 1.00 0.00 C ATOM 645 OH TYR A 87 11.330 -4.843 -7.390 1.00 0.00 O ATOM 0 H TYR A 87 11.612 -1.737 -2.968 1.00 0.00 H new ATOM 0 HA TYR A 87 14.403 -0.918 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.460 0.467 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.118 -0.012 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.916 -2.967 -4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 87 11.330 -0.425 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.116 -4.906 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 87 10.536 -2.367 -7.720 1.00 0.00 H new ATOM 0 HH TYR A 87 12.022 -5.537 -7.395 1.00 0.00 H new ATOM 655 N PHE A 88 12.406 0.578 -1.019 1.00 0.00 N ATOM 656 CA PHE A 88 12.100 1.716 -0.140 1.00 0.00 C ATOM 657 C PHE A 88 13.375 2.334 0.439 1.00 0.00 C ATOM 658 O PHE A 88 13.419 3.521 0.763 1.00 0.00 O ATOM 659 CB PHE A 88 11.139 1.247 0.969 1.00 0.00 C ATOM 660 CG PHE A 88 10.998 2.174 2.146 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.776 3.530 1.971 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.073 1.675 3.437 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.635 4.369 3.061 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.936 2.507 4.528 1.00 0.00 C ATOM 665 CZ PHE A 88 10.717 3.855 4.341 1.00 0.00 C ATOM 0 H PHE A 88 12.012 -0.307 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 88 11.615 2.500 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.153 1.095 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.479 0.277 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.712 3.936 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.241 0.619 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.461 5.424 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.000 2.103 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.610 4.509 5.194 1.00 0.00 H new ATOM 675 N ASN A 89 14.406 1.512 0.536 1.00 0.00 N ATOM 676 CA ASN A 89 15.713 1.936 1.045 1.00 0.00 C ATOM 677 C ASN A 89 16.748 2.009 -0.088 1.00 0.00 C ATOM 678 O ASN A 89 17.713 2.771 -0.016 1.00 0.00 O ATOM 679 CB ASN A 89 16.196 0.961 2.132 1.00 0.00 C ATOM 680 CG ASN A 89 16.910 -0.250 1.561 1.00 0.00 C ATOM 681 OD1 ASN A 89 16.312 -1.302 1.356 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.200 -0.107 1.298 1.00 0.00 N ATOM 0 H ASN A 89 14.367 0.529 0.265 1.00 0.00 H new ATOM 0 HA ASN A 89 15.604 2.932 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.867 1.486 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.341 0.629 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.731 -0.887 0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.662 0.783 1.482 1.00 0.00 H new ATOM 689 N GLY A 90 16.540 1.189 -1.121 1.00 0.00 N ATOM 690 CA GLY A 90 17.454 1.139 -2.253 1.00 0.00 C ATOM 691 C GLY A 90 18.070 -0.240 -2.444 1.00 0.00 C ATOM 692 O GLY A 90 19.191 -0.359 -2.937 1.00 0.00 O ATOM 0 H GLY A 90 15.746 0.553 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.920 1.424 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.248 1.871 -2.107 1.00 0.00 H new ATOM 696 N ILE A 91 17.337 -1.285 -2.048 1.00 0.00 N ATOM 697 CA ILE A 91 17.815 -2.660 -2.174 1.00 0.00 C ATOM 698 C ILE A 91 16.937 -3.465 -3.132 1.00 0.00 C ATOM 699 O ILE A 91 15.831 -3.044 -3.472 1.00 0.00 O ATOM 700 CB ILE A 91 17.879 -3.347 -0.789 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.212 -4.078 -0.615 1.00 0.00 C ATOM 702 CG2 ILE A 91 16.702 -4.293 -0.565 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.407 -3.148 -0.610 1.00 0.00 C ATOM 0 H ILE A 91 16.407 -1.201 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 91 18.822 -2.625 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 91 17.809 -2.567 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.192 -4.638 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.328 -4.804 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.787 -4.753 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.769 -3.733 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.708 -5.069 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.320 -3.730 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.450 -2.606 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.312 -2.438 0.212 1.00 0.00 H new ATOM 715 N LYS A 92 17.447 -4.614 -3.571 1.00 0.00 N ATOM 716 CA LYS A 92 16.735 -5.483 -4.511 1.00 0.00 C ATOM 717 C LYS A 92 16.736 -4.859 -5.904 1.00 0.00 C ATOM 718 O LYS A 92 16.764 -3.635 -6.048 1.00 0.00 O ATOM 719 CB LYS A 92 15.306 -5.777 -4.056 1.00 0.00 C ATOM 720 CG LYS A 92 14.697 -6.981 -4.762 1.00 0.00 C ATOM 721 CD LYS A 92 14.202 -8.023 -3.774 1.00 0.00 C ATOM 722 CE LYS A 92 12.868 -7.620 -3.180 1.00 0.00 C ATOM 723 NZ LYS A 92 12.189 -8.760 -2.495 1.00 0.00 N ATOM 0 H LYS A 92 18.360 -4.969 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 92 17.263 -6.436 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.301 -5.952 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.684 -4.901 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.869 -6.653 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.440 -7.430 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.105 -8.986 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.935 -8.151 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.019 -6.809 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.222 -7.235 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.166 -8.579 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.362 -9.637 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.565 -8.859 -1.531 1.00 0.00 H new ATOM 737 N TYR A 93 16.741 -5.702 -6.930 1.00 0.00 N ATOM 738 CA TYR A 93 16.791 -5.213 -8.311 1.00 0.00 C ATOM 739 C TYR A 93 16.041 -6.146 -9.271 1.00 0.00 C ATOM 740 O TYR A 93 16.449 -6.341 -10.418 1.00 0.00 O ATOM 741 CB TYR A 93 18.264 -5.045 -8.748 1.00 0.00 C ATOM 742 CG TYR A 93 19.268 -5.199 -7.612 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.402 -4.218 -6.632 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.060 -6.336 -7.507 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.292 -4.368 -5.584 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.956 -6.488 -6.464 1.00 0.00 C ATOM 747 CZ TYR A 93 21.067 -5.502 -5.505 1.00 0.00 C ATOM 748 OH TYR A 93 21.951 -5.654 -4.462 1.00 0.00 O ATOM 0 H TYR A 93 16.711 -6.717 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 93 16.291 -4.245 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.489 -5.780 -9.521 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.389 -4.060 -9.199 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.800 -3.324 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.975 -7.114 -8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.378 -3.598 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.567 -7.376 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 93 22.420 -6.510 -4.553 1.00 0.00 H new ATOM 758 N ASN A 94 14.942 -6.719 -8.790 1.00 0.00 N ATOM 759 CA ASN A 94 14.131 -7.627 -9.591 1.00 0.00 C ATOM 760 C ASN A 94 12.901 -8.065 -8.802 1.00 0.00 C ATOM 761 O ASN A 94 11.770 -7.746 -9.167 1.00 0.00 O ATOM 762 CB ASN A 94 14.963 -8.844 -10.001 1.00 0.00 C ATOM 763 CG ASN A 94 14.893 -9.119 -11.489 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.289 -10.094 -11.923 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.513 -8.256 -12.279 1.00 0.00 N ATOM 0 H ASN A 94 14.592 -6.569 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 94 13.800 -7.109 -10.491 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.002 -8.684 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.612 -9.720 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.500 -8.389 -13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.004 -7.458 -11.876 1.00 0.00 H new ATOM 772 N THR A 95 13.145 -8.780 -7.699 1.00 0.00 N ATOM 773 CA THR A 95 12.076 -9.255 -6.821 1.00 0.00 C ATOM 774 C THR A 95 11.253 -10.356 -7.496 1.00 0.00 C ATOM 775 O THR A 95 10.316 -10.081 -8.243 1.00 0.00 O ATOM 776 CB THR A 95 11.184 -8.085 -6.393 1.00 0.00 C ATOM 777 OG1 THR A 95 11.942 -6.891 -6.272 1.00 0.00 O ATOM 778 CG2 THR A 95 10.516 -8.309 -5.063 1.00 0.00 C ATOM 0 H THR A 95 14.082 -9.043 -7.393 1.00 0.00 H new ATOM 0 HA THR A 95 12.531 -9.687 -5.930 1.00 0.00 H new ATOM 0 HB THR A 95 10.425 -8.005 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.336 -6.123 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.899 -7.445 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.890 -9.200 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.275 -8.444 -4.293 1.00 0.00 H new ATOM 786 N THR A 96 11.634 -11.606 -7.231 1.00 0.00 N ATOM 787 CA THR A 96 10.966 -12.774 -7.814 1.00 0.00 C ATOM 788 C THR A 96 9.466 -12.802 -7.519 1.00 0.00 C ATOM 789 O THR A 96 8.664 -13.013 -8.426 1.00 0.00 O ATOM 790 CB THR A 96 11.615 -14.066 -7.306 1.00 0.00 C ATOM 791 OG1 THR A 96 12.905 -13.809 -6.780 1.00 0.00 O ATOM 792 CG2 THR A 96 11.766 -15.121 -8.378 1.00 0.00 C ATOM 0 H THR A 96 12.409 -11.839 -6.610 1.00 0.00 H new ATOM 0 HA THR A 96 11.086 -12.698 -8.895 1.00 0.00 H new ATOM 0 HB THR A 96 10.940 -14.441 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.301 -14.647 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.232 -16.009 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.784 -15.381 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.391 -14.735 -9.183 1.00 0.00 H new ATOM 800 N ARG A 97 9.085 -12.612 -6.256 1.00 0.00 N ATOM 801 CA ARG A 97 7.667 -12.643 -5.884 1.00 0.00 C ATOM 802 C ARG A 97 7.165 -11.295 -5.369 1.00 0.00 C ATOM 803 O ARG A 97 7.931 -10.343 -5.198 1.00 0.00 O ATOM 804 CB ARG A 97 7.415 -13.721 -4.829 1.00 0.00 C ATOM 805 CG ARG A 97 7.259 -15.115 -5.406 1.00 0.00 C ATOM 806 CD ARG A 97 7.301 -16.169 -4.313 1.00 0.00 C ATOM 807 NE ARG A 97 8.666 -16.617 -4.050 1.00 0.00 N ATOM 808 CZ ARG A 97 8.983 -17.795 -3.529 1.00 0.00 C ATOM 809 NH1 ARG A 97 8.044 -18.636 -3.146 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.248 -18.124 -3.375 1.00 0.00 N ATOM 0 H ARG A 97 9.726 -12.437 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 97 7.111 -12.876 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.242 -13.722 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.515 -13.466 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.315 -15.184 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.054 -15.304 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.868 -15.763 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.688 -17.021 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 97 9.428 -15.980 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.061 -18.384 -3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.300 -19.539 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.982 -17.474 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.494 -19.029 -2.975 1.00 0.00 H new ATOM 824 N ASN A 98 5.858 -11.237 -5.124 1.00 0.00 N ATOM 825 CA ASN A 98 5.201 -10.027 -4.629 1.00 0.00 C ATOM 826 C ASN A 98 4.481 -10.285 -3.301 1.00 0.00 C ATOM 827 O ASN A 98 4.440 -11.417 -2.808 1.00 0.00 O ATOM 828 CB ASN A 98 4.210 -9.507 -5.678 1.00 0.00 C ATOM 829 CG ASN A 98 3.400 -10.616 -6.316 1.00 0.00 C ATOM 830 OD1 ASN A 98 2.449 -11.156 -5.573 1.00 0.00 O flip ATOM 831 ND2 ASN A 98 3.629 -10.983 -7.463 1.00 0.00 N flip ATOM 0 H ASN A 98 5.225 -12.025 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 98 5.967 -9.273 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.534 -8.792 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.756 -8.969 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.373 -10.539 -8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.076 -11.732 -7.879 1.00 0.00 H new ATOM 838 N ALA A 99 3.901 -9.227 -2.736 1.00 0.00 N ATOM 839 CA ALA A 99 3.171 -9.323 -1.482 1.00 0.00 C ATOM 840 C ALA A 99 1.711 -9.679 -1.734 1.00 0.00 C ATOM 841 O ALA A 99 1.152 -9.346 -2.780 1.00 0.00 O ATOM 842 CB ALA A 99 3.275 -8.014 -0.711 1.00 0.00 C ATOM 0 H ALA A 99 3.926 -8.288 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 99 3.616 -10.118 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.724 -8.099 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.322 -7.799 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.853 -7.206 -1.308 1.00 0.00 H new ATOM 848 N TYR A 100 1.108 -10.358 -0.771 1.00 0.00 N ATOM 849 CA TYR A 100 -0.289 -10.776 -0.872 1.00 0.00 C ATOM 850 C TYR A 100 -1.106 -10.260 0.317 1.00 0.00 C ATOM 851 O TYR A 100 -0.828 -10.608 1.468 1.00 0.00 O ATOM 852 CB TYR A 100 -0.369 -12.303 -0.949 1.00 0.00 C ATOM 853 CG TYR A 100 0.248 -12.888 -2.200 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.624 -13.022 -2.323 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.548 -13.313 -3.256 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.190 -13.560 -3.463 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.012 -13.854 -4.399 1.00 0.00 C ATOM 858 CZ TYR A 100 1.381 -13.974 -4.496 1.00 0.00 C ATOM 859 OH TYR A 100 1.944 -14.514 -5.630 1.00 0.00 O ATOM 0 H TYR A 100 1.565 -10.635 0.098 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.712 -10.348 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.130 -12.727 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.415 -12.605 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.263 -12.700 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.621 -13.219 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.263 -13.655 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.621 -14.181 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 100 1.236 -14.756 -6.263 1.00 0.00 H new ATOM 869 N ARG A 101 -2.108 -9.429 0.029 1.00 0.00 N ATOM 870 CA ARG A 101 -2.968 -8.857 1.068 1.00 0.00 C ATOM 871 C ARG A 101 -4.432 -9.237 0.831 1.00 0.00 C ATOM 872 O ARG A 101 -5.083 -8.709 -0.071 1.00 0.00 O ATOM 873 CB ARG A 101 -2.815 -7.332 1.094 1.00 0.00 C ATOM 874 CG ARG A 101 -3.099 -6.703 2.450 1.00 0.00 C ATOM 875 CD ARG A 101 -2.853 -5.202 2.424 1.00 0.00 C ATOM 876 NE ARG A 101 -3.773 -4.477 3.304 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.733 -4.524 4.635 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.792 -5.215 5.251 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.619 -3.858 5.351 1.00 0.00 N ATOM 0 H ARG A 101 -2.345 -9.135 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.661 -9.262 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.800 -7.074 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.488 -6.897 0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.132 -6.900 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.466 -7.165 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.826 -4.998 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.963 -4.835 1.404 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.491 -3.898 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.090 -5.717 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.767 -5.247 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.338 -3.304 4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.585 -3.897 6.370 1.00 0.00 H new ATOM 893 N GLU A 102 -4.937 -10.163 1.644 1.00 0.00 N ATOM 894 CA GLU A 102 -6.321 -10.625 1.523 1.00 0.00 C ATOM 895 C GLU A 102 -7.316 -9.581 2.041 1.00 0.00 C ATOM 896 O GLU A 102 -6.931 -8.570 2.642 1.00 0.00 O ATOM 897 CB GLU A 102 -6.504 -11.943 2.287 1.00 0.00 C ATOM 898 CG GLU A 102 -6.785 -13.139 1.385 1.00 0.00 C ATOM 899 CD GLU A 102 -8.260 -13.330 1.081 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.980 -12.316 0.946 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.692 -14.495 0.971 1.00 0.00 O ATOM 0 H GLU A 102 -4.409 -10.609 2.394 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.525 -10.784 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.605 -12.142 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.326 -11.832 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.242 -13.014 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.399 -14.041 1.859 1.00 0.00 H new ATOM 908 N CYS A 103 -8.601 -9.847 1.816 1.00 0.00 N ATOM 909 CA CYS A 103 -9.665 -8.956 2.268 1.00 0.00 C ATOM 910 C CYS A 103 -10.723 -9.738 3.043 1.00 0.00 C ATOM 911 O CYS A 103 -11.415 -10.592 2.484 1.00 0.00 O ATOM 912 CB CYS A 103 -10.298 -8.220 1.085 1.00 0.00 C ATOM 913 SG CYS A 103 -10.223 -6.406 1.237 1.00 0.00 S ATOM 0 H CYS A 103 -8.930 -10.676 1.321 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.228 -8.213 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.793 -8.521 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.340 -8.527 0.991 1.00 0.00 H new ATOM 918 N LEU A 104 -10.831 -9.440 4.336 1.00 0.00 N ATOM 919 CA LEU A 104 -11.787 -10.111 5.216 1.00 0.00 C ATOM 920 C LEU A 104 -13.201 -10.098 4.631 1.00 0.00 C ATOM 921 O LEU A 104 -13.687 -9.074 4.146 1.00 0.00 O ATOM 922 CB LEU A 104 -11.779 -9.476 6.612 1.00 0.00 C ATOM 923 CG LEU A 104 -10.392 -9.216 7.215 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.519 -8.526 8.561 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.618 -10.516 7.358 1.00 0.00 C ATOM 0 H LEU A 104 -10.263 -8.732 4.801 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.474 -11.151 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.318 -8.530 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.334 -10.125 7.290 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.842 -8.561 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.526 -8.349 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.034 -7.574 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.088 -9.159 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.637 -10.310 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.165 -11.195 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.496 -10.976 6.378 1.00 0.00 H new ATOM 937 N GLU A 105 -13.826 -11.266 4.680 1.00 0.00 N ATOM 938 CA GLU A 105 -15.179 -11.505 4.162 1.00 0.00 C ATOM 939 C GLU A 105 -16.153 -10.368 4.475 1.00 0.00 C ATOM 940 O GLU A 105 -16.936 -9.964 3.613 1.00 0.00 O ATOM 941 CB GLU A 105 -15.714 -12.827 4.720 1.00 0.00 C ATOM 942 CG GLU A 105 -14.996 -14.054 4.169 1.00 0.00 C ATOM 943 CD GLU A 105 -13.793 -14.463 5.000 1.00 0.00 C ATOM 944 OE1 GLU A 105 -12.891 -13.621 5.207 1.00 0.00 O ATOM 945 OE2 GLU A 105 -13.753 -15.628 5.442 1.00 0.00 O ATOM 0 H GLU A 105 -13.402 -12.098 5.090 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.103 -11.556 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.621 -12.818 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.777 -12.905 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.697 -14.887 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.673 -13.851 3.148 1.00 0.00 H new ATOM 952 N ASN A 106 -16.102 -9.849 5.700 1.00 0.00 N ATOM 953 CA ASN A 106 -16.986 -8.751 6.100 1.00 0.00 C ATOM 954 C ASN A 106 -16.785 -7.508 5.217 1.00 0.00 C ATOM 955 O ASN A 106 -17.605 -6.588 5.239 1.00 0.00 O ATOM 956 CB ASN A 106 -16.755 -8.390 7.571 1.00 0.00 C ATOM 957 CG ASN A 106 -17.086 -9.536 8.504 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.209 -10.300 8.896 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.353 -9.666 8.862 1.00 0.00 N ATOM 0 H ASN A 106 -15.464 -10.167 6.430 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.013 -9.093 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.714 -8.099 7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.366 -7.525 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.631 -10.423 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.051 -9.009 8.514 1.00 0.00 H new ATOM 966 N GLY A 107 -15.691 -7.483 4.448 1.00 0.00 N ATOM 967 CA GLY A 107 -15.408 -6.351 3.580 1.00 0.00 C ATOM 968 C GLY A 107 -14.339 -5.445 4.152 1.00 0.00 C ATOM 969 O GLY A 107 -14.469 -4.221 4.112 1.00 0.00 O ATOM 0 H GLY A 107 -14.997 -8.230 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.089 -6.715 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.322 -5.778 3.423 1.00 0.00 H new ATOM 973 N THR A 108 -13.284 -6.046 4.701 1.00 0.00 N ATOM 974 CA THR A 108 -12.193 -5.272 5.301 1.00 0.00 C ATOM 975 C THR A 108 -10.833 -5.887 4.991 1.00 0.00 C ATOM 976 O THR A 108 -10.644 -7.091 5.131 1.00 0.00 O ATOM 977 CB THR A 108 -12.375 -5.175 6.821 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.057 -6.311 7.330 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.149 -3.949 7.251 1.00 0.00 C ATOM 0 H THR A 108 -13.160 -7.058 4.744 1.00 0.00 H new ATOM 0 HA THR A 108 -12.227 -4.273 4.866 1.00 0.00 H new ATOM 0 HB THR A 108 -11.364 -5.114 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.158 -6.224 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.243 -3.940 8.337 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.621 -3.053 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.142 -3.969 6.801 1.00 0.00 H new ATOM 987 N TRP A 109 -9.878 -5.049 4.588 1.00 0.00 N ATOM 988 CA TRP A 109 -8.525 -5.520 4.280 1.00 0.00 C ATOM 989 C TRP A 109 -7.944 -6.300 5.461 1.00 0.00 C ATOM 990 O TRP A 109 -8.293 -6.043 6.615 1.00 0.00 O ATOM 991 CB TRP A 109 -7.605 -4.341 3.957 1.00 0.00 C ATOM 992 CG TRP A 109 -7.793 -3.775 2.583 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.504 -2.660 2.247 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.252 -4.292 1.363 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.440 -2.450 0.890 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.674 -3.439 0.325 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.448 -5.394 1.048 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.318 -3.655 -1.003 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.098 -5.607 -0.272 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.530 -4.741 -1.283 1.00 0.00 C ATOM 0 H TRP A 109 -10.014 -4.045 4.467 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.590 -6.176 3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.774 -3.552 4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.569 -4.662 4.067 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.039 -2.034 2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.888 -1.685 0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.107 -6.065 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.651 -2.990 -1.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.481 -6.456 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.236 -4.932 -2.305 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.052 -7.244 5.174 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.427 -8.042 6.226 1.00 0.00 C ATOM 1013 C ALA A 110 -5.342 -7.240 6.961 1.00 0.00 C ATOM 1014 O ALA A 110 -5.161 -6.046 6.712 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.872 -9.333 5.640 1.00 0.00 C ATOM 0 H ALA A 110 -6.747 -7.475 4.228 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.185 -8.302 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.408 -9.922 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.682 -9.906 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.128 -9.097 4.879 1.00 0.00 H new ATOM 1021 N SER A 111 -4.636 -7.891 7.883 1.00 0.00 N ATOM 1022 CA SER A 111 -3.591 -7.224 8.661 1.00 0.00 C ATOM 1023 C SER A 111 -2.193 -7.476 8.081 1.00 0.00 C ATOM 1024 O SER A 111 -1.686 -6.670 7.298 1.00 0.00 O ATOM 1025 CB SER A 111 -3.650 -7.688 10.122 1.00 0.00 C ATOM 1026 OG SER A 111 -3.384 -9.081 10.223 1.00 0.00 O ATOM 0 H SER A 111 -4.767 -8.877 8.110 1.00 0.00 H new ATOM 0 HA SER A 111 -3.776 -6.151 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.924 -7.131 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.634 -7.471 10.537 1.00 0.00 H new ATOM 0 HG SER A 111 -3.425 -9.355 11.163 1.00 0.00 H new ATOM 1032 N ARG A 112 -1.575 -8.588 8.485 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.228 -8.948 8.027 1.00 0.00 C ATOM 1034 C ARG A 112 -0.223 -9.396 6.563 1.00 0.00 C ATOM 1035 O ARG A 112 -1.063 -10.193 6.141 1.00 0.00 O ATOM 1036 CB ARG A 112 0.355 -10.061 8.908 1.00 0.00 C ATOM 1037 CG ARG A 112 0.241 -9.791 10.403 1.00 0.00 C ATOM 1038 CD ARG A 112 1.357 -10.472 11.182 1.00 0.00 C ATOM 1039 NE ARG A 112 1.241 -11.934 11.151 1.00 0.00 N ATOM 1040 CZ ARG A 112 2.132 -12.768 11.674 1.00 0.00 C ATOM 1041 NH1 ARG A 112 3.206 -12.305 12.284 1.00 0.00 N ATOM 1042 NH2 ARG A 112 1.945 -14.070 11.584 1.00 0.00 N ATOM 0 H ARG A 112 -1.988 -9.260 9.132 1.00 0.00 H new ATOM 0 HA ARG A 112 0.391 -8.054 8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.155 -10.997 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.406 -10.199 8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.274 -8.716 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.724 -10.145 10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.321 -10.177 10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.337 -10.129 12.217 1.00 0.00 H new ATOM 0 HE ARG A 112 0.421 -12.337 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.357 -11.299 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.885 -12.953 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.117 -14.435 11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.628 -14.712 11.985 1.00 0.00 H new ATOM 1056 N VAL A 113 0.738 -8.884 5.798 1.00 0.00 N ATOM 1057 CA VAL A 113 0.872 -9.234 4.380 1.00 0.00 C ATOM 1058 C VAL A 113 1.923 -10.334 4.188 1.00 0.00 C ATOM 1059 O VAL A 113 2.824 -10.492 5.016 1.00 0.00 O ATOM 1060 CB VAL A 113 1.259 -8.004 3.521 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.740 -8.158 2.102 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.732 -6.715 4.138 1.00 0.00 C ATOM 0 H VAL A 113 1.439 -8.223 6.134 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.101 -9.597 4.049 1.00 0.00 H new ATOM 0 HB VAL A 113 2.347 -7.947 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.022 -7.284 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.171 -9.052 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.346 -8.248 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.019 -5.869 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.355 -6.763 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.154 -6.590 5.135 1.00 0.00 H new ATOM 1072 N ASN A 114 1.808 -11.100 3.099 1.00 0.00 N ATOM 1073 CA ASN A 114 2.759 -12.186 2.824 1.00 0.00 C ATOM 1074 C ASN A 114 4.146 -11.643 2.456 1.00 0.00 C ATOM 1075 O ASN A 114 4.619 -11.815 1.328 1.00 0.00 O ATOM 1076 CB ASN A 114 2.231 -13.093 1.707 1.00 0.00 C ATOM 1077 CG ASN A 114 2.726 -14.523 1.838 1.00 0.00 C ATOM 1078 OD1 ASN A 114 3.930 -14.786 1.803 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.803 -15.459 1.985 1.00 0.00 N ATOM 0 H ASN A 114 1.074 -10.992 2.399 1.00 0.00 H new ATOM 0 HA ASN A 114 2.861 -12.772 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 114 1.141 -13.086 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.539 -12.692 0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.078 -16.437 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.816 -15.203 2.009 1.00 0.00 H new ATOM 1086 N TYR A 115 4.795 -10.993 3.422 1.00 0.00 N ATOM 1087 CA TYR A 115 6.132 -10.428 3.209 1.00 0.00 C ATOM 1088 C TYR A 115 7.134 -11.516 2.817 1.00 0.00 C ATOM 1089 O TYR A 115 8.016 -11.278 1.993 1.00 0.00 O ATOM 1090 CB TYR A 115 6.641 -9.690 4.456 1.00 0.00 C ATOM 1091 CG TYR A 115 5.611 -8.833 5.155 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.912 -7.849 4.469 1.00 0.00 C ATOM 1093 CD2 TYR A 115 5.355 -8.997 6.510 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.989 -7.052 5.115 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.429 -8.209 7.159 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.751 -7.238 6.459 1.00 0.00 C ATOM 1097 OH TYR A 115 2.846 -6.437 7.109 1.00 0.00 O ATOM 0 H TYR A 115 4.420 -10.844 4.359 1.00 0.00 H new ATOM 0 HA TYR A 115 6.045 -9.711 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.022 -10.425 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.482 -9.059 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.093 -7.705 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.890 -9.754 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.456 -6.287 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.237 -8.353 8.212 1.00 0.00 H new ATOM 0 HH TYR A 115 2.795 -6.700 8.052 1.00 0.00 H new ATOM 1107 N SER A 116 6.991 -12.708 3.410 1.00 0.00 N ATOM 1108 CA SER A 116 7.886 -13.837 3.117 1.00 0.00 C ATOM 1109 C SER A 116 8.111 -13.997 1.611 1.00 0.00 C ATOM 1110 O SER A 116 9.229 -14.274 1.173 1.00 0.00 O ATOM 1111 CB SER A 116 7.320 -15.135 3.701 1.00 0.00 C ATOM 1112 OG SER A 116 7.839 -15.381 4.998 1.00 0.00 O ATOM 0 H SER A 116 6.265 -12.917 4.095 1.00 0.00 H new ATOM 0 HA SER A 116 8.848 -13.624 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.233 -15.073 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.564 -15.970 3.044 1.00 0.00 H new ATOM 0 HG SER A 116 7.461 -16.214 5.349 1.00 0.00 H new ATOM 1118 N HIS A 117 7.046 -13.807 0.825 1.00 0.00 N ATOM 1119 CA HIS A 117 7.132 -13.914 -0.634 1.00 0.00 C ATOM 1120 C HIS A 117 8.126 -12.894 -1.203 1.00 0.00 C ATOM 1121 O HIS A 117 8.777 -13.146 -2.215 1.00 0.00 O ATOM 1122 CB HIS A 117 5.753 -13.689 -1.263 1.00 0.00 C ATOM 1123 CG HIS A 117 4.989 -14.948 -1.526 1.00 0.00 C ATOM 1124 ND1 HIS A 117 4.503 -15.756 -0.523 1.00 0.00 N ATOM 1125 CD2 HIS A 117 4.616 -15.531 -2.688 1.00 0.00 C ATOM 1126 CE1 HIS A 117 3.866 -16.784 -1.057 1.00 0.00 C ATOM 1127 NE2 HIS A 117 3.919 -16.672 -2.372 1.00 0.00 N ATOM 0 H HIS A 117 6.116 -13.579 1.175 1.00 0.00 H new ATOM 0 HA HIS A 117 7.484 -14.917 -0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.165 -13.051 -0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.877 -13.149 -2.202 1.00 0.00 H new ATOM 0 HD1 HIS A 117 4.617 -15.588 0.477 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.827 -15.166 -3.682 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.384 -17.581 -0.510 1.00 0.00 H new ATOM 1136 N CYS A 118 8.234 -11.743 -0.537 1.00 0.00 N ATOM 1137 CA CYS A 118 9.135 -10.662 -0.954 1.00 0.00 C ATOM 1138 C CYS A 118 10.616 -11.053 -0.827 1.00 0.00 C ATOM 1139 O CYS A 118 11.400 -10.343 -0.192 1.00 0.00 O ATOM 1140 CB CYS A 118 8.853 -9.417 -0.102 1.00 0.00 C ATOM 1141 SG CYS A 118 7.088 -8.968 0.000 1.00 0.00 S ATOM 0 H CYS A 118 7.701 -11.532 0.306 1.00 0.00 H new ATOM 0 HA CYS A 118 8.945 -10.457 -2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.233 -9.586 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.408 -8.574 -0.515 1.00 0.00 H new ATOM 1146 N GLU A 119 10.999 -12.173 -1.441 1.00 0.00 N ATOM 1147 CA GLU A 119 12.385 -12.645 -1.393 1.00 0.00 C ATOM 1148 C GLU A 119 13.324 -11.722 -2.182 1.00 0.00 C ATOM 1149 O GLU A 119 12.888 -10.998 -3.090 1.00 0.00 O ATOM 1150 CB GLU A 119 12.473 -14.086 -1.917 1.00 0.00 C ATOM 1151 CG GLU A 119 12.573 -14.197 -3.433 1.00 0.00 C ATOM 1152 CD GLU A 119 11.623 -15.226 -4.003 1.00 0.00 C ATOM 1153 OE1 GLU A 119 11.993 -16.418 -4.055 1.00 0.00 O ATOM 1154 OE2 GLU A 119 10.499 -14.847 -4.391 1.00 0.00 O ATOM 0 H GLU A 119 10.370 -12.771 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 119 12.710 -12.628 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.342 -14.570 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.594 -14.637 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.362 -13.225 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.595 -14.459 -3.708 1.00 0.00 H new ATOM 1161 N PRO A 120 14.627 -11.710 -1.831 1.00 0.00 N ATOM 1162 CA PRO A 120 15.633 -10.867 -2.485 1.00 0.00 C ATOM 1163 C PRO A 120 16.218 -11.508 -3.748 1.00 0.00 C ATOM 1164 O PRO A 120 15.708 -12.511 -4.243 1.00 0.00 O ATOM 1165 CB PRO A 120 16.723 -10.711 -1.407 1.00 0.00 C ATOM 1166 CG PRO A 120 16.292 -11.558 -0.244 1.00 0.00 C ATOM 1167 CD PRO A 120 15.235 -12.496 -0.758 1.00 0.00 C ATOM 0 HA PRO A 120 15.207 -9.923 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.693 -11.035 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.829 -9.668 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.137 -12.113 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 120 15.900 -10.938 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.662 -13.429 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.513 -12.759 0.015 1.00 0.00 H new ATOM 1175 N ILE A 121 17.299 -10.920 -4.263 1.00 0.00 N ATOM 1176 CA ILE A 121 17.960 -11.434 -5.467 1.00 0.00 C ATOM 1177 C ILE A 121 19.411 -11.818 -5.177 1.00 0.00 C ATOM 1178 O ILE A 121 20.306 -11.628 -6.001 1.00 0.00 O ATOM 1179 CB ILE A 121 17.899 -10.413 -6.623 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.836 -9.219 -6.380 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.470 -9.941 -6.800 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.373 -8.278 -5.288 1.00 0.00 C ATOM 0 H ILE A 121 17.736 -10.088 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 121 17.420 -12.329 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 121 18.238 -10.905 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.826 -9.595 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.939 -8.657 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.423 -9.220 -7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.831 -10.793 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.126 -9.470 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.090 -7.464 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.397 -7.870 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.298 -8.822 -4.346 1.00 0.00 H new ATOM 1260 N GLU B 230 20.685 -2.080 4.557 1.00 0.00 N ATOM 1261 CA GLU B 230 19.462 -1.436 5.064 1.00 0.00 C ATOM 1262 C GLU B 230 18.258 -2.356 4.865 1.00 0.00 C ATOM 1263 O GLU B 230 17.287 -2.303 5.621 1.00 0.00 O ATOM 1264 CB GLU B 230 19.180 -0.115 4.341 1.00 0.00 C ATOM 1265 CG GLU B 230 18.446 0.910 5.197 1.00 0.00 C ATOM 1266 CD GLU B 230 19.173 1.239 6.488 1.00 0.00 C ATOM 1267 OE1 GLU B 230 19.710 2.336 6.650 1.00 0.00 O ATOM 0 HA GLU B 230 19.620 -1.238 6.124 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.124 0.314 4.007 1.00 0.00 H new ATOM 0 HB3 GLU B 230 18.589 -0.319 3.448 1.00 0.00 H new ATOM 0 HG2 GLU B 230 18.310 1.825 4.621 1.00 0.00 H new ATOM 0 HG3 GLU B 230 17.452 0.531 5.434 1.00 0.00 H new ATOM 1274 N ALA B 231 18.337 -3.198 3.828 1.00 0.00 N ATOM 1275 CA ALA B 231 17.269 -4.138 3.496 1.00 0.00 C ATOM 1276 C ALA B 231 16.738 -4.872 4.732 1.00 0.00 C ATOM 1277 O ALA B 231 15.563 -5.244 4.784 1.00 0.00 O ATOM 1278 CB ALA B 231 17.765 -5.120 2.446 1.00 0.00 C ATOM 0 H ALA B 231 19.140 -3.244 3.201 1.00 0.00 H new ATOM 0 HA ALA B 231 16.431 -3.571 3.091 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.968 -5.821 2.198 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.061 -4.575 1.549 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.622 -5.668 2.837 1.00 0.00 H new ATOM 1284 N HIS B 232 17.597 -5.065 5.734 1.00 0.00 N ATOM 1285 CA HIS B 232 17.185 -5.734 6.968 1.00 0.00 C ATOM 1286 C HIS B 232 16.190 -4.859 7.723 1.00 0.00 C ATOM 1287 O HIS B 232 15.139 -5.335 8.156 1.00 0.00 O ATOM 1288 CB HIS B 232 18.406 -6.062 7.841 1.00 0.00 C ATOM 1289 CG HIS B 232 18.098 -6.834 9.093 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.820 -7.141 9.513 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.930 -7.358 10.021 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.881 -7.820 10.646 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.151 -7.965 10.976 1.00 0.00 N ATOM 0 H HIS B 232 18.573 -4.771 5.716 1.00 0.00 H new ATOM 0 HA HIS B 232 16.697 -6.675 6.715 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.118 -6.633 7.245 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.898 -5.129 8.118 1.00 0.00 H new ATOM 0 HD1 HIS B 232 15.962 -6.884 9.025 1.00 0.00 H new ATOM 0 HD2 HIS B 232 20.009 -7.308 10.013 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.036 -8.192 11.206 1.00 0.00 H new ATOM 1302 N LYS B 233 16.505 -3.570 7.827 1.00 0.00 N ATOM 1303 CA LYS B 233 15.611 -2.615 8.467 1.00 0.00 C ATOM 1304 C LYS B 233 14.459 -2.316 7.512 1.00 0.00 C ATOM 1305 O LYS B 233 13.317 -2.133 7.934 1.00 0.00 O ATOM 1306 CB LYS B 233 16.375 -1.334 8.836 1.00 0.00 C ATOM 1307 CG LYS B 233 15.484 -0.158 9.216 1.00 0.00 C ATOM 1308 CD LYS B 233 15.859 1.098 8.440 1.00 0.00 C ATOM 1309 CE LYS B 233 17.153 1.715 8.951 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.326 0.940 8.552 1.00 0.00 N ATOM 0 H LYS B 233 17.373 -3.165 7.476 1.00 0.00 H new ATOM 0 HA LYS B 233 15.212 -3.034 9.391 1.00 0.00 H new ATOM 0 HB2 LYS B 233 17.044 -1.551 9.669 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.001 -1.043 7.992 1.00 0.00 H new ATOM 0 HG2 LYS B 233 14.442 -0.411 9.020 1.00 0.00 H new ATOM 0 HG3 LYS B 233 15.569 0.034 10.285 1.00 0.00 H new ATOM 0 HD2 LYS B 233 15.966 0.854 7.383 1.00 0.00 H new ATOM 0 HD3 LYS B 233 15.053 1.828 8.519 1.00 0.00 H new ATOM 0 HE2 LYS B 233 17.244 2.732 8.570 1.00 0.00 H new ATOM 0 HE3 LYS B 233 17.117 1.784 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.111 1.586 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 18.605 0.307 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 18.098 0.374 7.709 1.00 0.00 H new ATOM 1322 N ASN B 234 14.772 -2.307 6.212 1.00 0.00 N ATOM 1323 CA ASN B 234 13.769 -2.073 5.183 1.00 0.00 C ATOM 1324 C ASN B 234 12.667 -3.121 5.271 1.00 0.00 C ATOM 1325 O ASN B 234 11.493 -2.780 5.431 1.00 0.00 O ATOM 1326 CB ASN B 234 14.403 -2.111 3.796 1.00 0.00 C ATOM 1327 CG ASN B 234 13.676 -1.216 2.818 1.00 0.00 C ATOM 1328 OD1 ASN B 234 13.305 -0.096 3.143 1.00 0.00 O ATOM 1329 ND2 ASN B 234 13.465 -1.706 1.613 1.00 0.00 N ATOM 0 H ASN B 234 15.715 -2.460 5.853 1.00 0.00 H new ATOM 0 HA ASN B 234 13.338 -1.085 5.347 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.446 -1.801 3.865 1.00 0.00 H new ATOM 0 HB3 ASN B 234 14.399 -3.135 3.423 1.00 0.00 H new ATOM 0 HD21 ASN B 234 12.977 -1.147 0.913 1.00 0.00 H new ATOM 0 HD22 ASN B 234 13.790 -2.644 1.380 1.00 0.00 H new ATOM 1336 N ARG B 235 13.046 -4.401 5.191 1.00 0.00 N ATOM 1337 CA ARG B 235 12.060 -5.477 5.288 1.00 0.00 C ATOM 1338 C ARG B 235 11.336 -5.395 6.630 1.00 0.00 C ATOM 1339 O ARG B 235 10.116 -5.538 6.696 1.00 0.00 O ATOM 1340 CB ARG B 235 12.717 -6.846 5.114 1.00 0.00 C ATOM 1341 CG ARG B 235 12.668 -7.362 3.685 1.00 0.00 C ATOM 1342 CD ARG B 235 13.485 -6.493 2.739 1.00 0.00 C ATOM 1343 NE ARG B 235 14.406 -7.291 1.921 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.450 -7.952 2.404 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.751 -7.881 3.684 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.202 -8.675 1.598 1.00 0.00 N ATOM 0 H ARG B 235 14.009 -4.711 5.062 1.00 0.00 H new ATOM 0 HA ARG B 235 11.335 -5.355 4.484 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.757 -6.785 5.435 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.223 -7.564 5.769 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.045 -8.384 3.655 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.633 -7.394 3.346 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.813 -5.934 2.088 1.00 0.00 H new ATOM 0 HD3 ARG B 235 14.052 -5.762 3.316 1.00 0.00 H new ATOM 0 HE ARG B 235 14.232 -7.341 0.917 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.180 -7.315 4.312 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.555 -8.392 4.048 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.981 -8.726 0.604 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.005 -9.183 1.969 1.00 0.00 H new ATOM 1360 N LYS B 236 12.094 -5.124 7.695 1.00 0.00 N ATOM 1361 CA LYS B 236 11.525 -4.979 9.032 1.00 0.00 C ATOM 1362 C LYS B 236 10.315 -4.041 8.986 1.00 0.00 C ATOM 1363 O LYS B 236 9.276 -4.324 9.580 1.00 0.00 O ATOM 1364 CB LYS B 236 12.611 -4.470 10.002 1.00 0.00 C ATOM 1365 CG LYS B 236 12.214 -3.257 10.832 1.00 0.00 C ATOM 1366 CD LYS B 236 10.998 -3.557 11.689 1.00 0.00 C ATOM 1367 CE LYS B 236 11.326 -3.546 13.171 1.00 0.00 C ATOM 1368 NZ LYS B 236 10.097 -3.397 14.001 1.00 0.00 N ATOM 0 H LYS B 236 13.106 -5.001 7.655 1.00 0.00 H new ATOM 0 HA LYS B 236 11.177 -5.946 9.395 1.00 0.00 H new ATOM 0 HB2 LYS B 236 12.882 -5.281 10.678 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.503 -4.222 9.427 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.047 -2.959 11.469 1.00 0.00 H new ATOM 0 HG3 LYS B 236 12.000 -2.416 10.173 1.00 0.00 H new ATOM 0 HD2 LYS B 236 10.221 -2.821 11.485 1.00 0.00 H new ATOM 0 HD3 LYS B 236 10.594 -4.531 11.415 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.837 -4.471 13.439 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.013 -2.728 13.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 10.342 -2.947 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 9.407 -2.805 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 9.684 -4.334 14.181 1.00 0.00 H new ATOM 1382 N LEU B 237 10.449 -2.936 8.252 1.00 0.00 N ATOM 1383 CA LEU B 237 9.356 -1.966 8.107 1.00 0.00 C ATOM 1384 C LEU B 237 8.055 -2.634 7.624 1.00 0.00 C ATOM 1385 O LEU B 237 6.963 -2.111 7.857 1.00 0.00 O ATOM 1386 CB LEU B 237 9.768 -0.848 7.136 1.00 0.00 C ATOM 1387 CG LEU B 237 9.368 0.567 7.559 1.00 0.00 C ATOM 1388 CD1 LEU B 237 7.857 0.696 7.639 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.003 0.928 8.893 1.00 0.00 C ATOM 0 H LEU B 237 11.301 -2.688 7.748 1.00 0.00 H new ATOM 0 HA LEU B 237 9.161 -1.540 9.091 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.850 -0.879 7.010 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.328 -1.056 6.161 1.00 0.00 H new ATOM 0 HG LEU B 237 9.733 1.263 6.804 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.594 1.710 7.941 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.422 0.484 6.663 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.470 -0.013 8.371 1.00 0.00 H new ATOM 0 HD21 LEU B 237 9.706 1.938 9.176 1.00 0.00 H new ATOM 0 HD22 LEU B 237 9.670 0.225 9.656 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.088 0.880 8.804 1.00 0.00 H new ATOM 1420 N GLU B 239 6.706 -5.530 8.658 1.00 0.00 N ATOM 1421 CA GLU B 239 5.943 -6.023 9.808 1.00 0.00 C ATOM 1422 C GLU B 239 5.003 -4.944 10.356 1.00 0.00 C ATOM 1423 O GLU B 239 3.933 -5.257 10.880 1.00 0.00 O ATOM 1424 CB GLU B 239 6.882 -6.532 10.910 1.00 0.00 C ATOM 1425 CG GLU B 239 7.451 -5.435 11.802 1.00 0.00 C ATOM 1426 CD GLU B 239 8.695 -5.870 12.550 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.551 -6.552 11.950 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.826 -5.504 13.741 1.00 0.00 O ATOM 0 HA GLU B 239 5.332 -6.858 9.465 1.00 0.00 H new ATOM 0 HB2 GLU B 239 6.341 -7.246 11.531 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.707 -7.073 10.447 1.00 0.00 H new ATOM 0 HG2 GLU B 239 7.686 -4.563 11.192 1.00 0.00 H new ATOM 0 HG3 GLU B 239 6.691 -5.126 12.520 1.00 0.00 H new ATOM 1435 N ILE B 240 5.394 -3.675 10.203 1.00 0.00 N ATOM 1436 CA ILE B 240 4.565 -2.556 10.662 1.00 0.00 C ATOM 1437 C ILE B 240 3.217 -2.538 9.929 1.00 0.00 C ATOM 1438 O ILE B 240 2.217 -2.050 10.458 1.00 0.00 O ATOM 1439 CB ILE B 240 5.278 -1.198 10.448 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.363 -0.990 11.501 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.281 -0.045 10.485 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.022 0.371 11.423 1.00 0.00 C ATOM 0 H ILE B 240 6.274 -3.398 9.768 1.00 0.00 H new ATOM 0 HA ILE B 240 4.396 -2.700 11.729 1.00 0.00 H new ATOM 0 HB ILE B 240 5.744 -1.216 9.463 1.00 0.00 H new ATOM 0 HG12 ILE B 240 5.927 -1.118 12.492 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.124 -1.762 11.385 1.00 0.00 H new ATOM 0 HG21 ILE B 240 4.808 0.897 10.332 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.541 -0.179 9.696 1.00 0.00 H new ATOM 0 HG23 ILE B 240 3.781 -0.028 11.453 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.783 0.452 12.199 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.487 0.495 10.445 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.271 1.148 11.569 1.00 0.00 H new ATOM 1454 N ILE B 241 3.203 -3.067 8.704 1.00 0.00 N ATOM 1455 CA ILE B 241 1.986 -3.107 7.890 1.00 0.00 C ATOM 1456 C ILE B 241 1.034 -4.209 8.353 1.00 0.00 C ATOM 1457 O ILE B 241 -0.097 -3.938 8.764 1.00 0.00 O ATOM 1458 CB ILE B 241 2.308 -3.313 6.388 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.551 -2.523 5.980 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.133 -2.873 5.538 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.419 -1.042 6.240 1.00 0.00 C ATOM 0 H ILE B 241 4.022 -3.474 8.253 1.00 0.00 H new ATOM 0 HA ILE B 241 1.500 -2.140 8.019 1.00 0.00 H new ATOM 0 HB ILE B 241 2.500 -4.374 6.229 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.414 -2.907 6.525 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.746 -2.684 4.920 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.370 -3.022 4.485 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.254 -3.462 5.799 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.929 -1.818 5.718 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.333 -0.535 5.930 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.575 -0.647 5.674 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.254 -0.873 7.304 1.00 0.00 H new