USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 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 98 ASN : amide:sc= -1.44! C(o=-5.8!,f=-17!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0.564 USER MOD Set 1.3: A 117 HIS : no HD1:sc= -4.88 K(o=-5.8,f=-9.5!) USER MOD Set 2.1: A 87 TYR OH : rot -104:sc= 0.562 USER MOD Set 2.2: A 95 THR OG1 : rot -157:sc= 2.26 USER MOD Set 3.1: A 62 THR OG1 : rot -86:sc= 0.389 USER MOD Set 3.2: A 70 CYS SG : rot 180:sc= 0.351 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.258 X(o=0.26,f=-0.2) USER MOD Single : A 63 THR OG1 : rot 149:sc= 0.0292 USER MOD Single : A 66 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 69 THR OG1 : rot -30:sc= 0.8 USER MOD Single : A 73 GLN : amide:sc= 0.039 X(o=0.039,f=0) USER MOD Single : A 74 SER OG : rot -160:sc= 0.419 USER MOD Single : A 89 ASN : amide:sc= 0.606 K(o=0.61,f=-1.7) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= 0.964! (180deg=-0.73) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.247 K(o=0.25,f=-2.1!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.7!) USER MOD Single : A 115 TYR OH : rot -110:sc= 1.04 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0245 USER MOD Single : B 232 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.2) USER MOD Single : B 233 LYS NZ :NH3+ -163:sc= -17.9! (180deg=-19.5!) USER MOD Single : B 234 ASN : amide:sc= -4.8! C(o=-4.8!,f=-10!) USER MOD Single : B 236 LYS NZ :NH3+ -167:sc= 0.797 (180deg=0.673) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.194 -5.212 -0.233 1.00 0.00 N ATOM 230 CA TYR A 59 -16.132 -4.638 -1.053 1.00 0.00 C ATOM 231 C TYR A 59 -15.033 -4.016 -0.188 1.00 0.00 C ATOM 232 O TYR A 59 -15.224 -3.768 1.002 1.00 0.00 O ATOM 233 CB TYR A 59 -16.715 -3.583 -1.999 1.00 0.00 C ATOM 234 CG TYR A 59 -17.180 -4.149 -3.323 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.271 -4.463 -4.324 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.528 -4.374 -3.567 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.693 -4.984 -5.532 1.00 0.00 C ATOM 238 CE2 TYR A 59 -18.956 -4.895 -4.774 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.034 -5.199 -5.751 1.00 0.00 C ATOM 240 OH TYR A 59 -18.455 -5.718 -6.950 1.00 0.00 O ATOM 0 HA TYR A 59 -15.685 -5.442 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -17.555 -3.091 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.962 -2.817 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.217 -4.297 -4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.253 -4.138 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.973 -5.222 -6.301 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.008 -5.063 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 59 -19.431 -5.809 -6.943 1.00 0.00 H new ATOM 250 N CYS A 60 -13.887 -3.757 -0.809 1.00 0.00 N ATOM 251 CA CYS A 60 -12.741 -3.155 -0.126 1.00 0.00 C ATOM 252 C CYS A 60 -12.349 -1.847 -0.804 1.00 0.00 C ATOM 253 O CYS A 60 -11.945 -1.848 -1.963 1.00 0.00 O ATOM 254 CB CYS A 60 -11.545 -4.108 -0.152 1.00 0.00 C ATOM 255 SG CYS A 60 -11.413 -5.206 1.291 1.00 0.00 S ATOM 0 H CYS A 60 -13.724 -3.956 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.026 -2.959 0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.605 -4.720 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.631 -3.519 -0.228 1.00 0.00 H new ATOM 260 N ASN A 61 -12.465 -0.735 -0.090 1.00 0.00 N ATOM 261 CA ASN A 61 -12.115 0.571 -0.651 1.00 0.00 C ATOM 262 C ASN A 61 -10.601 0.779 -0.695 1.00 0.00 C ATOM 263 O ASN A 61 -9.858 0.162 0.078 1.00 0.00 O ATOM 264 CB ASN A 61 -12.764 1.693 0.169 1.00 0.00 C ATOM 265 CG ASN A 61 -12.350 1.672 1.630 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.035 1.092 2.465 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.224 2.299 1.948 1.00 0.00 N ATOM 0 H ASN A 61 -12.797 -0.707 0.874 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.492 0.599 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.496 2.656 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.848 1.604 0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.902 2.309 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.681 2.771 1.225 1.00 0.00 H new ATOM 274 N THR A 62 -10.148 1.673 -1.587 1.00 0.00 N ATOM 275 CA THR A 62 -8.720 1.980 -1.695 1.00 0.00 C ATOM 276 C THR A 62 -8.166 2.262 -0.299 1.00 0.00 C ATOM 277 O THR A 62 -8.802 2.961 0.495 1.00 0.00 O ATOM 278 CB THR A 62 -8.476 3.171 -2.633 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.171 3.112 -3.181 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.624 4.523 -1.964 1.00 0.00 C ATOM 0 H THR A 62 -10.744 2.188 -2.235 1.00 0.00 H new ATOM 0 HA THR A 62 -8.202 1.123 -2.125 1.00 0.00 H new ATOM 0 HB THR A 62 -9.244 3.085 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.539 3.543 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.436 5.312 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.635 4.626 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.907 4.605 -1.147 1.00 0.00 H new ATOM 288 N THR A 63 -7.021 1.671 0.023 1.00 0.00 N ATOM 289 CA THR A 63 -6.445 1.824 1.359 1.00 0.00 C ATOM 290 C THR A 63 -4.942 2.138 1.328 1.00 0.00 C ATOM 291 O THR A 63 -4.175 1.478 0.638 1.00 0.00 O ATOM 292 CB THR A 63 -6.738 0.538 2.147 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.669 0.786 3.189 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.527 -0.124 2.762 1.00 0.00 C ATOM 0 H THR A 63 -6.477 1.088 -0.612 1.00 0.00 H new ATOM 0 HA THR A 63 -6.904 2.683 1.849 1.00 0.00 H new ATOM 0 HB THR A 63 -7.139 -0.145 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.210 -0.016 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.836 -1.022 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.821 -0.394 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.049 0.566 3.458 1.00 0.00 H new ATOM 302 N LEU A 64 -4.531 3.148 2.101 1.00 0.00 N ATOM 303 CA LEU A 64 -3.118 3.550 2.181 1.00 0.00 C ATOM 304 C LEU A 64 -2.341 2.649 3.154 1.00 0.00 C ATOM 305 O LEU A 64 -2.875 1.645 3.631 1.00 0.00 O ATOM 306 CB LEU A 64 -3.019 5.017 2.616 1.00 0.00 C ATOM 307 CG LEU A 64 -1.797 5.778 2.089 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.224 6.928 1.194 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.952 6.294 3.244 1.00 0.00 C ATOM 0 H LEU A 64 -5.157 3.705 2.683 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.671 3.439 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.919 5.537 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.008 5.055 3.705 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.195 5.087 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.341 7.454 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.788 6.539 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.850 7.617 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.089 6.832 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.549 6.967 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.612 5.454 3.849 1.00 0.00 H new ATOM 321 N ASP A 65 -1.081 2.999 3.442 1.00 0.00 N ATOM 322 CA ASP A 65 -0.262 2.199 4.353 1.00 0.00 C ATOM 323 C ASP A 65 0.923 2.983 4.935 1.00 0.00 C ATOM 324 O ASP A 65 1.240 4.089 4.490 1.00 0.00 O ATOM 325 CB ASP A 65 0.252 0.953 3.632 1.00 0.00 C ATOM 326 CG ASP A 65 0.033 -0.302 4.440 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.408 -0.314 5.633 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.510 -1.279 3.879 1.00 0.00 O ATOM 0 H ASP A 65 -0.613 3.821 3.061 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.902 1.916 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.253 0.857 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.316 1.068 3.424 1.00 0.00 H new ATOM 333 N GLN A 66 1.577 2.373 5.931 1.00 0.00 N ATOM 334 CA GLN A 66 2.741 2.968 6.600 1.00 0.00 C ATOM 335 C GLN A 66 3.902 3.184 5.626 1.00 0.00 C ATOM 336 O GLN A 66 4.445 4.283 5.525 1.00 0.00 O ATOM 337 CB GLN A 66 3.197 2.061 7.750 1.00 0.00 C ATOM 338 CG GLN A 66 3.745 2.825 8.951 1.00 0.00 C ATOM 339 CD GLN A 66 2.762 3.835 9.513 1.00 0.00 C ATOM 340 OE1 GLN A 66 3.010 5.035 9.489 1.00 0.00 O ATOM 341 NE2 GLN A 66 1.640 3.353 10.025 1.00 0.00 N ATOM 0 H GLN A 66 1.316 1.457 6.295 1.00 0.00 H new ATOM 0 HA GLN A 66 2.442 3.941 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.356 1.448 8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.965 1.380 7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.015 2.115 9.733 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.660 3.341 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.471 2.347 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.945 3.988 10.418 1.00 0.00 H new ATOM 350 N ILE A 67 4.269 2.119 4.917 1.00 0.00 N ATOM 351 CA ILE A 67 5.363 2.156 3.939 1.00 0.00 C ATOM 352 C ILE A 67 5.056 3.112 2.772 1.00 0.00 C ATOM 353 O ILE A 67 5.951 3.458 1.999 1.00 0.00 O ATOM 354 CB ILE A 67 5.661 0.719 3.404 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.940 0.167 4.042 1.00 0.00 C ATOM 356 CG2 ILE A 67 5.780 0.679 1.886 1.00 0.00 C ATOM 357 CD1 ILE A 67 7.144 -1.318 3.807 1.00 0.00 C ATOM 0 H ILE A 67 3.820 1.207 5.001 1.00 0.00 H new ATOM 0 HA ILE A 67 6.248 2.537 4.449 1.00 0.00 H new ATOM 0 HB ILE A 67 4.813 0.093 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.798 0.710 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.912 0.356 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.987 -0.342 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.846 1.018 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.592 1.332 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.069 -1.639 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.305 -1.872 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.205 -1.512 2.736 1.00 0.00 H new ATOM 369 N GLY A 68 3.793 3.531 2.644 1.00 0.00 N ATOM 370 CA GLY A 68 3.403 4.430 1.564 1.00 0.00 C ATOM 371 C GLY A 68 2.775 3.688 0.397 1.00 0.00 C ATOM 372 O GLY A 68 2.850 4.137 -0.747 1.00 0.00 O ATOM 0 H GLY A 68 3.034 3.263 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.697 5.168 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.279 4.977 1.215 1.00 0.00 H new ATOM 376 N THR A 69 2.155 2.545 0.690 1.00 0.00 N ATOM 377 CA THR A 69 1.511 1.727 -0.334 1.00 0.00 C ATOM 378 C THR A 69 -0.005 1.936 -0.326 1.00 0.00 C ATOM 379 O THR A 69 -0.646 1.851 0.722 1.00 0.00 O ATOM 380 CB THR A 69 1.856 0.242 -0.113 1.00 0.00 C ATOM 381 OG1 THR A 69 2.770 -0.217 -1.102 1.00 0.00 O ATOM 382 CG2 THR A 69 0.660 -0.685 -0.150 1.00 0.00 C ATOM 0 H THR A 69 2.086 2.164 1.634 1.00 0.00 H new ATOM 0 HA THR A 69 1.885 2.034 -1.311 1.00 0.00 H new ATOM 0 HB THR A 69 2.287 0.208 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.629 0.281 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.990 -1.711 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.045 -0.401 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.173 -0.612 -1.122 1.00 0.00 H new ATOM 390 N CYS A 70 -0.578 2.192 -1.500 1.00 0.00 N ATOM 391 CA CYS A 70 -2.022 2.386 -1.610 1.00 0.00 C ATOM 392 C CYS A 70 -2.675 1.154 -2.227 1.00 0.00 C ATOM 393 O CYS A 70 -2.451 0.837 -3.397 1.00 0.00 O ATOM 394 CB CYS A 70 -2.354 3.633 -2.437 1.00 0.00 C ATOM 395 SG CYS A 70 -4.123 4.086 -2.413 1.00 0.00 S ATOM 0 H CYS A 70 -0.070 2.269 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.419 2.533 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.769 4.472 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.046 3.466 -3.469 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.308 5.151 -3.136 1.00 0.00 H new ATOM 400 N TRP A 71 -3.478 0.465 -1.423 1.00 0.00 N ATOM 401 CA TRP A 71 -4.177 -0.738 -1.860 1.00 0.00 C ATOM 402 C TRP A 71 -5.489 -0.365 -2.550 1.00 0.00 C ATOM 403 O TRP A 71 -6.436 0.072 -1.897 1.00 0.00 O ATOM 404 CB TRP A 71 -4.433 -1.652 -0.658 1.00 0.00 C ATOM 405 CG TRP A 71 -3.183 -1.998 0.097 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.664 -1.339 1.176 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.289 -3.082 -0.180 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.505 -1.950 1.589 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.253 -3.023 0.772 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.265 -4.099 -1.139 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.208 -3.941 0.790 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.226 -5.009 -1.120 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.209 -4.925 -0.161 1.00 0.00 C ATOM 0 H TRP A 71 -3.662 0.724 -0.454 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.557 -1.274 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.135 -1.164 0.018 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.908 -2.571 -1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.101 -0.465 1.637 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.926 -1.654 2.375 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.045 -4.172 -1.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.577 -3.879 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.198 -5.798 -1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.590 -5.651 -0.172 1.00 0.00 H new ATOM 424 N PRO A 72 -5.546 -0.508 -3.891 1.00 0.00 N ATOM 425 CA PRO A 72 -6.734 -0.158 -4.692 1.00 0.00 C ATOM 426 C PRO A 72 -8.021 -0.866 -4.252 1.00 0.00 C ATOM 427 O PRO A 72 -7.993 -1.867 -3.536 1.00 0.00 O ATOM 428 CB PRO A 72 -6.351 -0.582 -6.120 1.00 0.00 C ATOM 429 CG PRO A 72 -5.164 -1.472 -5.967 1.00 0.00 C ATOM 430 CD PRO A 72 -4.448 -0.999 -4.740 1.00 0.00 C ATOM 0 HA PRO A 72 -6.968 0.901 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.173 -1.105 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.114 0.285 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.468 -2.514 -5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.517 -1.414 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.894 -1.805 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.730 -0.211 -4.969 1.00 0.00 H new ATOM 438 N GLN A 73 -9.157 -0.317 -4.699 1.00 0.00 N ATOM 439 CA GLN A 73 -10.477 -0.864 -4.374 1.00 0.00 C ATOM 440 C GLN A 73 -10.592 -2.342 -4.764 1.00 0.00 C ATOM 441 O GLN A 73 -10.341 -2.719 -5.909 1.00 0.00 O ATOM 442 CB GLN A 73 -11.571 -0.053 -5.079 1.00 0.00 C ATOM 443 CG GLN A 73 -12.783 0.232 -4.203 1.00 0.00 C ATOM 444 CD GLN A 73 -14.061 -0.365 -4.757 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.816 0.303 -5.457 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.309 -1.629 -4.448 1.00 0.00 N ATOM 0 H GLN A 73 -9.186 0.513 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.607 -0.792 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.148 0.893 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.896 -0.594 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.605 -0.165 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.906 1.310 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.655 -2.149 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.154 -2.083 -4.795 1.00 0.00 H new ATOM 455 N SER A 74 -10.984 -3.166 -3.797 1.00 0.00 N ATOM 456 CA SER A 74 -11.146 -4.605 -4.011 1.00 0.00 C ATOM 457 C SER A 74 -12.435 -5.118 -3.349 1.00 0.00 C ATOM 458 O SER A 74 -13.398 -4.363 -3.186 1.00 0.00 O ATOM 459 CB SER A 74 -9.923 -5.348 -3.459 1.00 0.00 C ATOM 460 OG SER A 74 -10.048 -6.749 -3.648 1.00 0.00 O ATOM 0 H SER A 74 -11.198 -2.860 -2.848 1.00 0.00 H new ATOM 0 HA SER A 74 -11.225 -4.793 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.021 -4.990 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.810 -5.130 -2.397 1.00 0.00 H new ATOM 0 HG SER A 74 -9.446 -7.217 -3.032 1.00 0.00 H new ATOM 466 N ALA A 75 -12.447 -6.397 -2.962 1.00 0.00 N ATOM 467 CA ALA A 75 -13.614 -7.006 -2.313 1.00 0.00 C ATOM 468 C ALA A 75 -13.204 -8.163 -1.383 1.00 0.00 C ATOM 469 O ALA A 75 -12.030 -8.535 -1.328 1.00 0.00 O ATOM 470 CB ALA A 75 -14.601 -7.482 -3.375 1.00 0.00 C ATOM 0 H ALA A 75 -11.660 -7.033 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.096 -6.252 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.467 -7.934 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.924 -6.633 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.118 -8.219 -4.016 1.00 0.00 H new ATOM 476 N PRO A 76 -14.168 -8.749 -0.632 1.00 0.00 N ATOM 477 CA PRO A 76 -13.892 -9.866 0.293 1.00 0.00 C ATOM 478 C PRO A 76 -13.351 -11.099 -0.432 1.00 0.00 C ATOM 479 O PRO A 76 -13.554 -11.258 -1.638 1.00 0.00 O ATOM 480 CB PRO A 76 -15.261 -10.172 0.917 1.00 0.00 C ATOM 481 CG PRO A 76 -16.254 -9.586 -0.028 1.00 0.00 C ATOM 482 CD PRO A 76 -15.593 -8.375 -0.619 1.00 0.00 C ATOM 0 HA PRO A 76 -13.128 -9.604 1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.411 -11.245 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.351 -9.729 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.524 -10.302 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.174 -9.315 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.964 -8.162 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.771 -7.484 -0.017 1.00 0.00 H new ATOM 490 N GLY A 77 -12.658 -11.968 0.309 1.00 0.00 N ATOM 491 CA GLY A 77 -12.091 -13.174 -0.286 1.00 0.00 C ATOM 492 C GLY A 77 -11.266 -12.866 -1.522 1.00 0.00 C ATOM 493 O GLY A 77 -11.498 -13.435 -2.589 1.00 0.00 O ATOM 0 H GLY A 77 -12.479 -11.859 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.466 -13.681 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.895 -13.861 -0.549 1.00 0.00 H new ATOM 497 N ALA A 78 -10.309 -11.953 -1.376 1.00 0.00 N ATOM 498 CA ALA A 78 -9.451 -11.549 -2.483 1.00 0.00 C ATOM 499 C ALA A 78 -8.008 -11.335 -2.030 1.00 0.00 C ATOM 500 O ALA A 78 -7.666 -10.283 -1.478 1.00 0.00 O ATOM 501 CB ALA A 78 -10.000 -10.283 -3.130 1.00 0.00 C ATOM 0 H ALA A 78 -10.109 -11.478 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.446 -12.355 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.354 -9.987 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.005 -10.473 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.034 -9.482 -2.391 1.00 0.00 H new ATOM 507 N LEU A 79 -7.161 -12.331 -2.280 1.00 0.00 N ATOM 508 CA LEU A 79 -5.748 -12.252 -1.917 1.00 0.00 C ATOM 509 C LEU A 79 -5.025 -11.251 -2.817 1.00 0.00 C ATOM 510 O LEU A 79 -4.250 -11.628 -3.697 1.00 0.00 O ATOM 511 CB LEU A 79 -5.098 -13.639 -2.011 1.00 0.00 C ATOM 512 CG LEU A 79 -3.723 -13.764 -1.352 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.863 -13.912 0.153 1.00 0.00 C ATOM 514 CD2 LEU A 79 -2.962 -14.945 -1.931 1.00 0.00 C ATOM 0 H LEU A 79 -7.430 -13.204 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.667 -11.905 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.768 -14.368 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.004 -13.907 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.160 -12.854 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.874 -14.000 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.371 -13.037 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.445 -14.806 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.986 -15.020 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.524 -15.862 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.829 -14.802 -3.003 1.00 0.00 H new ATOM 526 N VAL A 80 -5.305 -9.971 -2.588 1.00 0.00 N ATOM 527 CA VAL A 80 -4.710 -8.889 -3.365 1.00 0.00 C ATOM 528 C VAL A 80 -3.180 -8.976 -3.362 1.00 0.00 C ATOM 529 O VAL A 80 -2.532 -8.735 -2.337 1.00 0.00 O ATOM 530 CB VAL A 80 -5.163 -7.515 -2.821 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.439 -6.380 -3.524 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.670 -7.357 -2.963 1.00 0.00 C ATOM 0 H VAL A 80 -5.948 -9.656 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.055 -8.994 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.906 -7.471 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.779 -5.426 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.365 -6.480 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.653 -6.418 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.972 -6.384 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.946 -7.430 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.173 -8.144 -2.401 1.00 0.00 H new ATOM 542 N GLU A 81 -2.617 -9.329 -4.517 1.00 0.00 N ATOM 543 CA GLU A 81 -1.172 -9.459 -4.669 1.00 0.00 C ATOM 544 C GLU A 81 -0.604 -8.304 -5.494 1.00 0.00 C ATOM 545 O GLU A 81 -1.337 -7.607 -6.199 1.00 0.00 O ATOM 546 CB GLU A 81 -0.834 -10.803 -5.326 1.00 0.00 C ATOM 547 CG GLU A 81 -0.915 -10.794 -6.850 1.00 0.00 C ATOM 548 CD GLU A 81 -2.335 -10.951 -7.368 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.203 -10.132 -6.995 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.576 -11.894 -8.150 1.00 0.00 O ATOM 0 H GLU A 81 -3.146 -9.531 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.716 -9.423 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.173 -11.097 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.514 -11.563 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.498 -9.859 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.298 -11.600 -7.246 1.00 0.00 H new ATOM 557 N ARG A 82 0.709 -8.104 -5.391 1.00 0.00 N ATOM 558 CA ARG A 82 1.388 -7.027 -6.118 1.00 0.00 C ATOM 559 C ARG A 82 2.863 -6.947 -5.723 1.00 0.00 C ATOM 560 O ARG A 82 3.251 -7.427 -4.656 1.00 0.00 O ATOM 561 CB ARG A 82 0.699 -5.689 -5.828 1.00 0.00 C ATOM 562 CG ARG A 82 0.315 -5.514 -4.363 1.00 0.00 C ATOM 563 CD ARG A 82 0.635 -4.119 -3.860 1.00 0.00 C ATOM 564 NE ARG A 82 2.072 -3.829 -3.920 1.00 0.00 N ATOM 565 CZ ARG A 82 2.658 -2.832 -3.271 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.965 -2.076 -2.441 1.00 0.00 N ATOM 567 NH2 ARG A 82 3.945 -2.614 -3.438 1.00 0.00 N ATOM 0 H ARG A 82 1.326 -8.673 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 82 1.329 -7.243 -7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.362 -4.875 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.197 -5.609 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.750 -5.709 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.845 -6.249 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.092 -3.385 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.287 -4.016 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 82 2.657 -4.432 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.972 -2.257 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.422 -1.311 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.486 -3.210 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.401 -1.849 -2.942 1.00 0.00 H new ATOM 581 N PRO A 83 3.713 -6.334 -6.573 1.00 0.00 N ATOM 582 CA PRO A 83 5.147 -6.194 -6.289 1.00 0.00 C ATOM 583 C PRO A 83 5.399 -5.573 -4.913 1.00 0.00 C ATOM 584 O PRO A 83 5.033 -4.419 -4.662 1.00 0.00 O ATOM 585 CB PRO A 83 5.661 -5.272 -7.409 1.00 0.00 C ATOM 586 CG PRO A 83 4.441 -4.714 -8.065 1.00 0.00 C ATOM 587 CD PRO A 83 3.353 -5.727 -7.863 1.00 0.00 C ATOM 0 HA PRO A 83 5.654 -7.159 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.287 -4.476 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.271 -5.826 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.167 -3.756 -7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.616 -4.538 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.368 -5.262 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.332 -6.464 -8.666 1.00 0.00 H new ATOM 595 N CYS A 84 6.019 -6.346 -4.021 1.00 0.00 N ATOM 596 CA CYS A 84 6.314 -5.878 -2.665 1.00 0.00 C ATOM 597 C CYS A 84 7.394 -4.792 -2.674 1.00 0.00 C ATOM 598 O CYS A 84 8.422 -4.934 -3.337 1.00 0.00 O ATOM 599 CB CYS A 84 6.755 -7.048 -1.781 1.00 0.00 C ATOM 600 SG CYS A 84 8.013 -8.126 -2.539 1.00 0.00 S ATOM 0 H CYS A 84 6.327 -7.299 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 84 5.401 -5.446 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.148 -6.653 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.881 -7.649 -1.531 1.00 0.00 H new ATOM 605 N PRO A 85 7.177 -3.690 -1.924 1.00 0.00 N ATOM 606 CA PRO A 85 8.139 -2.580 -1.850 1.00 0.00 C ATOM 607 C PRO A 85 9.365 -2.917 -0.991 1.00 0.00 C ATOM 608 O PRO A 85 9.648 -2.256 0.011 1.00 0.00 O ATOM 609 CB PRO A 85 7.317 -1.445 -1.233 1.00 0.00 C ATOM 610 CG PRO A 85 6.261 -2.123 -0.424 1.00 0.00 C ATOM 611 CD PRO A 85 5.983 -3.448 -1.088 1.00 0.00 C ATOM 0 HA PRO A 85 8.558 -2.331 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.939 -0.802 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.877 -0.813 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.596 -2.269 0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.357 -1.515 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.844 -4.241 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.076 -3.409 -1.691 1.00 0.00 H new ATOM 619 N GLU A 86 10.087 -3.955 -1.405 1.00 0.00 N ATOM 620 CA GLU A 86 11.287 -4.413 -0.700 1.00 0.00 C ATOM 621 C GLU A 86 12.470 -3.446 -0.875 1.00 0.00 C ATOM 622 O GLU A 86 13.425 -3.468 -0.089 1.00 0.00 O ATOM 623 CB GLU A 86 11.671 -5.806 -1.217 1.00 0.00 C ATOM 624 CG GLU A 86 13.090 -6.236 -0.861 1.00 0.00 C ATOM 625 CD GLU A 86 13.252 -7.738 -0.750 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.455 -8.475 -1.364 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.187 -8.186 -0.054 1.00 0.00 O ATOM 0 H GLU A 86 9.860 -4.502 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 86 11.058 -4.451 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.970 -6.537 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.560 -5.822 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.777 -5.859 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.375 -5.776 0.085 1.00 0.00 H new ATOM 634 N TYR A 87 12.412 -2.609 -1.908 1.00 0.00 N ATOM 635 CA TYR A 87 13.495 -1.664 -2.185 1.00 0.00 C ATOM 636 C TYR A 87 13.380 -0.412 -1.305 1.00 0.00 C ATOM 637 O TYR A 87 13.148 0.692 -1.798 1.00 0.00 O ATOM 638 CB TYR A 87 13.524 -1.266 -3.676 1.00 0.00 C ATOM 639 CG TYR A 87 12.783 -2.198 -4.623 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.705 -3.571 -4.394 1.00 0.00 C ATOM 641 CD2 TYR A 87 12.164 -1.694 -5.760 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.033 -4.403 -5.267 1.00 0.00 C ATOM 643 CE2 TYR A 87 11.490 -2.524 -6.637 1.00 0.00 C ATOM 644 CZ TYR A 87 11.429 -3.877 -6.383 1.00 0.00 C ATOM 645 OH TYR A 87 10.765 -4.714 -7.254 1.00 0.00 O ATOM 0 H TYR A 87 11.633 -2.564 -2.564 1.00 0.00 H new ATOM 0 HA TYR A 87 14.432 -2.168 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.101 -0.266 -3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.564 -1.204 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.178 -3.991 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.210 -0.634 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.982 -5.464 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.014 -2.114 -7.516 1.00 0.00 H new ATOM 0 HH TYR A 87 11.313 -4.854 -8.055 1.00 0.00 H new ATOM 655 N PHE A 88 13.543 -0.595 0.004 1.00 0.00 N ATOM 656 CA PHE A 88 13.452 0.513 0.961 1.00 0.00 C ATOM 657 C PHE A 88 14.835 1.097 1.315 1.00 0.00 C ATOM 658 O PHE A 88 14.954 1.893 2.246 1.00 0.00 O ATOM 659 CB PHE A 88 12.728 0.029 2.227 1.00 0.00 C ATOM 660 CG PHE A 88 12.501 1.102 3.257 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.594 2.124 3.030 1.00 0.00 C ATOM 662 CD2 PHE A 88 13.199 1.084 4.455 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.387 3.108 3.977 1.00 0.00 C ATOM 664 CE2 PHE A 88 12.997 2.065 5.406 1.00 0.00 C ATOM 665 CZ PHE A 88 12.090 3.079 5.167 1.00 0.00 C ATOM 0 H PHE A 88 13.739 -1.501 0.430 1.00 0.00 H new ATOM 0 HA PHE A 88 12.885 1.318 0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.765 -0.394 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.309 -0.775 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.042 2.152 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 88 13.909 0.293 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.677 3.899 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.547 2.039 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.930 3.848 5.908 1.00 0.00 H new ATOM 675 N ASN A 89 15.877 0.713 0.568 1.00 0.00 N ATOM 676 CA ASN A 89 17.234 1.217 0.821 1.00 0.00 C ATOM 677 C ASN A 89 18.195 0.833 -0.316 1.00 0.00 C ATOM 678 O ASN A 89 19.323 0.401 -0.069 1.00 0.00 O ATOM 679 CB ASN A 89 17.753 0.673 2.161 1.00 0.00 C ATOM 680 CG ASN A 89 18.033 1.766 3.173 1.00 0.00 C ATOM 681 OD1 ASN A 89 19.163 1.935 3.624 1.00 0.00 O ATOM 682 ND2 ASN A 89 17.005 2.511 3.544 1.00 0.00 N ATOM 0 H ASN A 89 15.809 0.059 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 89 17.189 2.305 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.020 -0.019 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.666 0.103 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.136 3.257 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.081 2.340 3.147 1.00 0.00 H new ATOM 689 N GLY A 90 17.739 0.990 -1.561 1.00 0.00 N ATOM 690 CA GLY A 90 18.569 0.646 -2.711 1.00 0.00 C ATOM 691 C GLY A 90 18.864 -0.843 -2.778 1.00 0.00 C ATOM 692 O GLY A 90 20.006 -1.250 -2.987 1.00 0.00 O ATOM 0 H GLY A 90 16.813 1.348 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.066 0.957 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.507 1.199 -2.659 1.00 0.00 H new ATOM 696 N ILE A 91 17.824 -1.650 -2.584 1.00 0.00 N ATOM 697 CA ILE A 91 17.950 -3.107 -2.599 1.00 0.00 C ATOM 698 C ILE A 91 16.982 -3.731 -3.606 1.00 0.00 C ATOM 699 O ILE A 91 16.043 -3.074 -4.058 1.00 0.00 O ATOM 700 CB ILE A 91 17.689 -3.675 -1.176 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.968 -3.614 -0.343 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.142 -5.100 -1.200 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.924 -2.569 0.746 1.00 0.00 C ATOM 0 H ILE A 91 16.875 -1.316 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 91 18.965 -3.362 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 91 16.923 -3.049 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.147 -4.590 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.812 -3.407 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.979 -5.444 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.198 -5.118 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.858 -5.756 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.863 -2.580 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.776 -1.585 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.100 -2.787 1.426 1.00 0.00 H new ATOM 715 N LYS A 92 17.226 -5.001 -3.942 1.00 0.00 N ATOM 716 CA LYS A 92 16.392 -5.753 -4.884 1.00 0.00 C ATOM 717 C LYS A 92 16.736 -5.433 -6.336 1.00 0.00 C ATOM 718 O LYS A 92 16.409 -4.365 -6.854 1.00 0.00 O ATOM 719 CB LYS A 92 14.903 -5.507 -4.624 1.00 0.00 C ATOM 720 CG LYS A 92 14.206 -6.656 -3.925 1.00 0.00 C ATOM 721 CD LYS A 92 14.309 -7.943 -4.725 1.00 0.00 C ATOM 722 CE LYS A 92 14.377 -9.143 -3.806 1.00 0.00 C ATOM 723 NZ LYS A 92 13.022 -9.634 -3.434 1.00 0.00 N ATOM 0 H LYS A 92 18.009 -5.537 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 92 16.605 -6.809 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.793 -4.606 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.405 -5.316 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.647 -6.804 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.156 -6.406 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.448 -8.035 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.196 -7.913 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.932 -9.944 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.928 -8.878 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.088 -10.618 -3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.633 -9.039 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.397 -9.589 -4.264 1.00 0.00 H new ATOM 737 N TYR A 93 17.391 -6.390 -6.982 1.00 0.00 N ATOM 738 CA TYR A 93 17.789 -6.264 -8.382 1.00 0.00 C ATOM 739 C TYR A 93 17.192 -7.417 -9.206 1.00 0.00 C ATOM 740 O TYR A 93 17.617 -7.677 -10.331 1.00 0.00 O ATOM 741 CB TYR A 93 19.328 -6.237 -8.511 1.00 0.00 C ATOM 742 CG TYR A 93 20.081 -6.610 -7.243 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.899 -5.897 -6.059 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.968 -7.679 -7.230 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.577 -6.240 -4.905 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.652 -8.026 -6.078 1.00 0.00 C ATOM 747 CZ TYR A 93 21.452 -7.305 -4.921 1.00 0.00 C ATOM 748 OH TYR A 93 22.128 -7.652 -3.777 1.00 0.00 O ATOM 0 H TYR A 93 17.662 -7.275 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 93 17.403 -5.322 -8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.624 -6.920 -9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.635 -5.237 -8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.215 -5.061 -6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.126 -8.249 -8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.422 -5.677 -3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.340 -8.859 -6.086 1.00 0.00 H new ATOM 0 HH TYR A 93 22.703 -8.424 -3.958 1.00 0.00 H new ATOM 758 N ASN A 94 16.196 -8.096 -8.620 1.00 0.00 N ATOM 759 CA ASN A 94 15.515 -9.220 -9.261 1.00 0.00 C ATOM 760 C ASN A 94 14.376 -9.724 -8.364 1.00 0.00 C ATOM 761 O ASN A 94 14.388 -10.868 -7.902 1.00 0.00 O ATOM 762 CB ASN A 94 16.509 -10.353 -9.549 1.00 0.00 C ATOM 763 CG ASN A 94 16.233 -11.042 -10.870 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.475 -10.485 -11.936 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.714 -12.260 -10.806 1.00 0.00 N ATOM 0 H ASN A 94 15.843 -7.878 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 94 15.094 -8.882 -10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.522 -9.951 -9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.463 -11.086 -8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.501 -12.769 -11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.528 -12.688 -9.899 1.00 0.00 H new ATOM 772 N THR A 95 13.404 -8.849 -8.102 1.00 0.00 N ATOM 773 CA THR A 95 12.262 -9.184 -7.244 1.00 0.00 C ATOM 774 C THR A 95 11.401 -10.285 -7.865 1.00 0.00 C ATOM 775 O THR A 95 10.379 -10.009 -8.492 1.00 0.00 O ATOM 776 CB THR A 95 11.408 -7.932 -6.971 1.00 0.00 C ATOM 777 OG1 THR A 95 12.117 -6.756 -7.323 1.00 0.00 O ATOM 778 CG2 THR A 95 10.984 -7.787 -5.521 1.00 0.00 C ATOM 0 H THR A 95 13.383 -7.899 -8.472 1.00 0.00 H new ATOM 0 HA THR A 95 12.656 -9.557 -6.299 1.00 0.00 H new ATOM 0 HB THR A 95 10.514 -8.061 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.754 -5.994 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.386 -6.883 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.392 -8.654 -5.227 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.869 -7.720 -4.888 1.00 0.00 H new ATOM 786 N THR A 96 11.828 -11.536 -7.686 1.00 0.00 N ATOM 787 CA THR A 96 11.102 -12.689 -8.228 1.00 0.00 C ATOM 788 C THR A 96 9.764 -12.912 -7.509 1.00 0.00 C ATOM 789 O THR A 96 8.836 -13.475 -8.088 1.00 0.00 O ATOM 790 CB THR A 96 11.966 -13.957 -8.149 1.00 0.00 C ATOM 791 OG1 THR A 96 11.381 -15.016 -8.887 1.00 0.00 O ATOM 792 CG2 THR A 96 12.183 -14.458 -6.736 1.00 0.00 C ATOM 0 H THR A 96 12.674 -11.778 -7.170 1.00 0.00 H new ATOM 0 HA THR A 96 10.883 -12.472 -9.274 1.00 0.00 H new ATOM 0 HB THR A 96 12.929 -13.664 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.949 -15.812 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.801 -15.355 -6.759 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.683 -13.687 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.221 -14.692 -6.281 1.00 0.00 H new ATOM 800 N ARG A 97 9.661 -12.464 -6.254 1.00 0.00 N ATOM 801 CA ARG A 97 8.423 -12.620 -5.486 1.00 0.00 C ATOM 802 C ARG A 97 7.630 -11.309 -5.420 1.00 0.00 C ATOM 803 O ARG A 97 8.022 -10.299 -6.006 1.00 0.00 O ATOM 804 CB ARG A 97 8.722 -13.142 -4.078 1.00 0.00 C ATOM 805 CG ARG A 97 8.561 -14.649 -3.946 1.00 0.00 C ATOM 806 CD ARG A 97 9.730 -15.255 -3.198 1.00 0.00 C ATOM 807 NE ARG A 97 9.473 -16.633 -2.777 1.00 0.00 N ATOM 808 CZ ARG A 97 9.226 -17.005 -1.525 1.00 0.00 C ATOM 809 NH1 ARG A 97 9.045 -16.108 -0.575 1.00 0.00 N ATOM 810 NH2 ARG A 97 9.121 -18.287 -1.234 1.00 0.00 N ATOM 0 H ARG A 97 10.414 -11.994 -5.752 1.00 0.00 H new ATOM 0 HA ARG A 97 7.805 -13.353 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.741 -12.868 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.058 -12.649 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.632 -14.875 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.485 -15.099 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.615 -15.232 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.951 -14.646 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 97 9.484 -17.358 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.094 -15.114 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.856 -16.409 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.229 -18.987 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.932 -18.578 -0.275 1.00 0.00 H new ATOM 824 N ASN A 98 6.496 -11.349 -4.722 1.00 0.00 N ATOM 825 CA ASN A 98 5.605 -10.188 -4.592 1.00 0.00 C ATOM 826 C ASN A 98 5.019 -10.064 -3.171 1.00 0.00 C ATOM 827 O ASN A 98 5.455 -10.753 -2.246 1.00 0.00 O ATOM 828 CB ASN A 98 4.473 -10.307 -5.632 1.00 0.00 C ATOM 829 CG ASN A 98 3.823 -11.686 -5.663 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.391 -12.675 -5.193 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.627 -11.765 -6.224 1.00 0.00 N ATOM 0 H ASN A 98 6.167 -12.181 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 98 6.188 -9.285 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.711 -9.559 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.872 -10.079 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.147 -12.663 -6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.185 -10.927 -6.603 1.00 0.00 H new ATOM 838 N ALA A 99 4.026 -9.181 -3.006 1.00 0.00 N ATOM 839 CA ALA A 99 3.367 -8.970 -1.713 1.00 0.00 C ATOM 840 C ALA A 99 1.874 -9.303 -1.813 1.00 0.00 C ATOM 841 O ALA A 99 1.258 -9.084 -2.857 1.00 0.00 O ATOM 842 CB ALA A 99 3.557 -7.532 -1.244 1.00 0.00 C ATOM 0 H ALA A 99 3.660 -8.598 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 99 3.825 -9.636 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.061 -7.394 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.621 -7.322 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.125 -6.850 -1.976 1.00 0.00 H new ATOM 848 N TYR A 100 1.298 -9.838 -0.734 1.00 0.00 N ATOM 849 CA TYR A 100 -0.124 -10.203 -0.728 1.00 0.00 C ATOM 850 C TYR A 100 -0.869 -9.622 0.473 1.00 0.00 C ATOM 851 O TYR A 100 -0.380 -9.667 1.607 1.00 0.00 O ATOM 852 CB TYR A 100 -0.289 -11.728 -0.722 1.00 0.00 C ATOM 853 CG TYR A 100 0.231 -12.411 -1.962 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.591 -12.602 -2.152 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.640 -12.872 -2.940 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.069 -13.232 -3.281 1.00 0.00 C ATOM 857 CE2 TYR A 100 -0.167 -13.503 -4.072 1.00 0.00 C ATOM 858 CZ TYR A 100 1.187 -13.681 -4.237 1.00 0.00 C ATOM 859 OH TYR A 100 1.665 -14.306 -5.364 1.00 0.00 O ATOM 0 H TYR A 100 1.788 -10.028 0.141 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.555 -9.781 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.228 -12.135 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.346 -11.967 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.287 -12.252 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.704 -12.735 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.131 -13.373 -3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.856 -13.855 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 100 0.914 -14.563 -5.939 1.00 0.00 H new ATOM 869 N ARG A 101 -2.068 -9.104 0.211 1.00 0.00 N ATOM 870 CA ARG A 101 -2.920 -8.537 1.252 1.00 0.00 C ATOM 871 C ARG A 101 -4.384 -8.898 0.984 1.00 0.00 C ATOM 872 O ARG A 101 -5.072 -8.211 0.229 1.00 0.00 O ATOM 873 CB ARG A 101 -2.748 -7.013 1.325 1.00 0.00 C ATOM 874 CG ARG A 101 -2.378 -6.506 2.714 1.00 0.00 C ATOM 875 CD ARG A 101 -3.269 -5.351 3.155 1.00 0.00 C ATOM 876 NE ARG A 101 -2.487 -4.240 3.716 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.036 -4.188 4.966 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.342 -5.132 5.834 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.303 -3.168 5.357 1.00 0.00 N ATOM 0 H ARG A 101 -2.473 -9.066 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.623 -8.958 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.975 -6.709 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.675 -6.536 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.460 -7.322 3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.337 -6.183 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.849 -4.994 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.982 -5.706 3.899 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.275 -3.453 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.931 -5.914 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.989 -5.080 6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.081 -2.418 4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.956 -3.127 6.315 1.00 0.00 H new ATOM 893 N GLU A 102 -4.851 -9.986 1.596 1.00 0.00 N ATOM 894 CA GLU A 102 -6.234 -10.437 1.417 1.00 0.00 C ATOM 895 C GLU A 102 -7.222 -9.429 2.016 1.00 0.00 C ATOM 896 O GLU A 102 -6.820 -8.493 2.717 1.00 0.00 O ATOM 897 CB GLU A 102 -6.420 -11.821 2.056 1.00 0.00 C ATOM 898 CG GLU A 102 -7.369 -12.732 1.288 1.00 0.00 C ATOM 899 CD GLU A 102 -8.782 -12.686 1.828 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.033 -13.295 2.885 1.00 0.00 O ATOM 901 OE2 GLU A 102 -9.630 -12.023 1.199 1.00 0.00 O ATOM 0 H GLU A 102 -4.295 -10.571 2.219 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.439 -10.510 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.448 -12.308 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.796 -11.694 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.376 -12.441 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.000 -13.757 1.333 1.00 0.00 H new ATOM 908 N CYS A 103 -8.513 -9.615 1.739 1.00 0.00 N ATOM 909 CA CYS A 103 -9.543 -8.713 2.257 1.00 0.00 C ATOM 910 C CYS A 103 -10.551 -9.450 3.143 1.00 0.00 C ATOM 911 O CYS A 103 -11.712 -9.040 3.249 1.00 0.00 O ATOM 912 CB CYS A 103 -10.257 -8.007 1.104 1.00 0.00 C ATOM 913 SG CYS A 103 -9.740 -6.276 0.884 1.00 0.00 S ATOM 0 H CYS A 103 -8.869 -10.377 1.162 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.048 -7.967 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.069 -8.555 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.332 -8.038 1.279 1.00 0.00 H new ATOM 918 N LEU A 104 -10.092 -10.525 3.791 1.00 0.00 N ATOM 919 CA LEU A 104 -10.935 -11.316 4.686 1.00 0.00 C ATOM 920 C LEU A 104 -12.210 -11.814 3.991 1.00 0.00 C ATOM 921 O LEU A 104 -12.429 -11.571 2.799 1.00 0.00 O ATOM 922 CB LEU A 104 -11.280 -10.485 5.927 1.00 0.00 C ATOM 923 CG LEU A 104 -10.347 -10.688 7.121 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.421 -9.495 7.286 1.00 0.00 C ATOM 925 CD2 LEU A 104 -11.151 -10.913 8.390 1.00 0.00 C ATOM 0 H LEU A 104 -9.135 -10.867 3.710 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.375 -12.203 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.271 -9.430 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.297 -10.725 6.235 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.738 -11.572 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.765 -9.659 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.819 -9.374 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.013 -8.595 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.472 -11.056 9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.784 -10.046 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.775 -11.799 8.273 1.00 0.00 H new ATOM 937 N GLU A 105 -13.051 -12.511 4.746 1.00 0.00 N ATOM 938 CA GLU A 105 -14.309 -13.038 4.216 1.00 0.00 C ATOM 939 C GLU A 105 -15.417 -11.993 4.329 1.00 0.00 C ATOM 940 O GLU A 105 -16.277 -11.884 3.453 1.00 0.00 O ATOM 941 CB GLU A 105 -14.718 -14.310 4.969 1.00 0.00 C ATOM 942 CG GLU A 105 -13.953 -15.557 4.539 1.00 0.00 C ATOM 943 CD GLU A 105 -13.727 -16.538 5.677 1.00 0.00 C ATOM 944 OE1 GLU A 105 -14.693 -16.828 6.417 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.584 -17.020 5.823 1.00 0.00 O ATOM 0 H GLU A 105 -12.887 -12.726 5.729 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.159 -13.282 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.566 -14.153 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.784 -14.481 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.502 -16.056 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.989 -15.260 4.126 1.00 0.00 H new ATOM 952 N ASN A 106 -15.384 -11.222 5.416 1.00 0.00 N ATOM 953 CA ASN A 106 -16.382 -10.177 5.658 1.00 0.00 C ATOM 954 C ASN A 106 -16.258 -9.028 4.648 1.00 0.00 C ATOM 955 O ASN A 106 -17.237 -8.332 4.371 1.00 0.00 O ATOM 956 CB ASN A 106 -16.247 -9.635 7.088 1.00 0.00 C ATOM 957 CG ASN A 106 -16.075 -10.734 8.122 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.009 -11.336 8.227 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.123 -11.005 8.889 1.00 0.00 N ATOM 0 H ASN A 106 -14.675 -11.301 6.145 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.367 -10.627 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.392 -8.960 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.131 -9.047 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.061 -11.736 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.991 -10.482 8.770 1.00 0.00 H new ATOM 966 N GLY A 107 -15.054 -8.832 4.100 1.00 0.00 N ATOM 967 CA GLY A 107 -14.837 -7.766 3.130 1.00 0.00 C ATOM 968 C GLY A 107 -14.024 -6.615 3.692 1.00 0.00 C ATOM 969 O GLY A 107 -14.415 -5.455 3.566 1.00 0.00 O ATOM 0 H GLY A 107 -14.228 -9.392 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.326 -8.174 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -15.801 -7.390 2.788 1.00 0.00 H new ATOM 973 N THR A 108 -12.890 -6.936 4.313 1.00 0.00 N ATOM 974 CA THR A 108 -12.018 -5.917 4.898 1.00 0.00 C ATOM 975 C THR A 108 -10.551 -6.321 4.783 1.00 0.00 C ATOM 976 O THR A 108 -10.191 -7.454 5.101 1.00 0.00 O ATOM 977 CB THR A 108 -12.378 -5.677 6.369 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.336 -6.884 7.112 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.755 -5.082 6.556 1.00 0.00 C ATOM 0 H THR A 108 -12.553 -7.892 4.424 1.00 0.00 H new ATOM 0 HA THR A 108 -12.168 -4.992 4.341 1.00 0.00 H new ATOM 0 HB THR A 108 -11.632 -4.968 6.729 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.568 -6.701 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.948 -4.937 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.809 -4.122 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.503 -5.758 6.141 1.00 0.00 H new ATOM 987 N TRP A 109 -9.710 -5.390 4.328 1.00 0.00 N ATOM 988 CA TRP A 109 -8.275 -5.646 4.171 1.00 0.00 C ATOM 989 C TRP A 109 -7.703 -6.427 5.356 1.00 0.00 C ATOM 990 O TRP A 109 -8.065 -6.193 6.511 1.00 0.00 O ATOM 991 CB TRP A 109 -7.505 -4.334 4.026 1.00 0.00 C ATOM 992 CG TRP A 109 -7.704 -3.649 2.707 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.436 -2.519 2.466 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.152 -4.048 1.449 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.370 -2.189 1.130 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.584 -3.114 0.489 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.330 -5.105 1.042 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.222 -3.206 -0.848 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.974 -5.195 -0.290 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.416 -4.248 -1.221 1.00 0.00 C ATOM 0 H TRP A 109 -9.998 -4.449 4.061 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.159 -6.246 3.268 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.809 -3.657 4.824 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.442 -4.532 4.164 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -8.985 -1.966 3.214 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.829 -1.391 0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.981 -5.837 1.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.565 -2.480 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.345 -6.009 -0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.115 -4.341 -2.254 1.00 0.00 H new ATOM 1011 N ALA A 110 -6.797 -7.348 5.052 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.155 -8.169 6.076 1.00 0.00 C ATOM 1013 C ALA A 110 -5.044 -7.390 6.798 1.00 0.00 C ATOM 1014 O ALA A 110 -4.147 -6.832 6.158 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.620 -9.452 5.457 1.00 0.00 C ATOM 0 H ALA A 110 -6.488 -7.547 4.101 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.901 -8.434 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.143 -10.057 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.443 -10.012 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.890 -9.207 4.685 1.00 0.00 H new ATOM 1021 N SER A 111 -5.148 -7.349 8.134 1.00 0.00 N ATOM 1022 CA SER A 111 -4.203 -6.633 9.013 1.00 0.00 C ATOM 1023 C SER A 111 -2.767 -6.585 8.484 1.00 0.00 C ATOM 1024 O SER A 111 -2.222 -5.502 8.258 1.00 0.00 O ATOM 1025 CB SER A 111 -4.202 -7.266 10.407 1.00 0.00 C ATOM 1026 OG SER A 111 -5.441 -7.057 11.065 1.00 0.00 O ATOM 0 H SER A 111 -5.898 -7.816 8.644 1.00 0.00 H new ATOM 0 HA SER A 111 -4.557 -5.603 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.007 -8.335 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.394 -6.840 11.002 1.00 0.00 H new ATOM 0 HG SER A 111 -5.414 -7.473 11.952 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.140 -7.746 8.307 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.756 -7.789 7.832 1.00 0.00 C ATOM 1034 C ARG A 112 -0.644 -8.240 6.380 1.00 0.00 C ATOM 1035 O ARG A 112 -1.513 -8.937 5.855 1.00 0.00 O ATOM 1036 CB ARG A 112 0.105 -8.698 8.717 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.614 -9.929 9.245 1.00 0.00 C ATOM 1038 CD ARG A 112 0.343 -10.853 9.984 1.00 0.00 C ATOM 1039 NE ARG A 112 0.172 -10.771 11.439 1.00 0.00 N ATOM 1040 CZ ARG A 112 0.988 -11.335 12.323 1.00 0.00 C ATOM 1041 NH1 ARG A 112 2.044 -12.017 11.919 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.746 -11.211 13.613 1.00 0.00 N ATOM 0 H ARG A 112 -2.560 -8.659 8.482 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.386 -6.765 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.977 -9.019 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.473 -8.117 9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.418 -9.624 9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.075 -10.467 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.180 -11.880 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.370 -10.595 9.724 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.627 -10.246 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.238 -12.114 10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.666 -12.447 12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.067 -10.683 13.931 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.371 -11.643 14.293 1.00 0.00 H new ATOM 1056 N VAL A 113 0.454 -7.833 5.754 1.00 0.00 N ATOM 1057 CA VAL A 113 0.747 -8.175 4.365 1.00 0.00 C ATOM 1058 C VAL A 113 1.728 -9.348 4.294 1.00 0.00 C ATOM 1059 O VAL A 113 2.512 -9.571 5.220 1.00 0.00 O ATOM 1060 CB VAL A 113 1.356 -6.971 3.608 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.225 -7.160 2.109 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.704 -5.665 4.041 1.00 0.00 C ATOM 0 H VAL A 113 1.169 -7.255 6.196 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.196 -8.453 3.895 1.00 0.00 H new ATOM 0 HB VAL A 113 2.416 -6.918 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.659 -6.303 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.750 -8.067 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.171 -7.247 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.151 -4.836 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.365 -5.705 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.858 -5.518 5.110 1.00 0.00 H new ATOM 1072 N ASN A 114 1.688 -10.095 3.196 1.00 0.00 N ATOM 1073 CA ASN A 114 2.581 -11.242 3.013 1.00 0.00 C ATOM 1074 C ASN A 114 4.037 -10.799 2.791 1.00 0.00 C ATOM 1075 O ASN A 114 4.610 -11.029 1.724 1.00 0.00 O ATOM 1076 CB ASN A 114 2.100 -12.092 1.832 1.00 0.00 C ATOM 1077 CG ASN A 114 1.642 -13.479 2.245 1.00 0.00 C ATOM 1078 OD1 ASN A 114 1.513 -13.779 3.429 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.391 -14.333 1.264 1.00 0.00 N ATOM 0 H ASN A 114 1.049 -9.930 2.418 1.00 0.00 H new ATOM 0 HA ASN A 114 2.554 -11.838 3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 114 1.279 -11.578 1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.907 -12.184 1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.078 -15.280 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.511 -14.044 0.293 1.00 0.00 H new ATOM 1086 N TYR A 115 4.634 -10.168 3.805 1.00 0.00 N ATOM 1087 CA TYR A 115 6.026 -9.706 3.711 1.00 0.00 C ATOM 1088 C TYR A 115 6.976 -10.887 3.517 1.00 0.00 C ATOM 1089 O TYR A 115 7.853 -10.847 2.652 1.00 0.00 O ATOM 1090 CB TYR A 115 6.459 -8.903 4.952 1.00 0.00 C ATOM 1091 CG TYR A 115 5.332 -8.304 5.763 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.569 -7.256 5.266 1.00 0.00 C ATOM 1093 CD2 TYR A 115 5.047 -8.777 7.037 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.553 -6.698 6.014 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.033 -8.222 7.791 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.292 -7.183 7.276 1.00 0.00 C ATOM 1097 OH TYR A 115 2.289 -6.621 8.028 1.00 0.00 O ATOM 0 H TYR A 115 4.181 -9.965 4.696 1.00 0.00 H new ATOM 0 HA TYR A 115 6.078 -9.046 2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.043 -9.556 5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.120 -8.098 4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.774 -6.871 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.628 -9.592 7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.966 -5.886 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.822 -8.601 8.780 1.00 0.00 H new ATOM 0 HH TYR A 115 2.680 -6.126 8.778 1.00 0.00 H new ATOM 1107 N SER A 116 6.787 -11.940 4.321 1.00 0.00 N ATOM 1108 CA SER A 116 7.619 -13.149 4.240 1.00 0.00 C ATOM 1109 C SER A 116 7.778 -13.610 2.794 1.00 0.00 C ATOM 1110 O SER A 116 8.873 -13.974 2.364 1.00 0.00 O ATOM 1111 CB SER A 116 7.005 -14.275 5.079 1.00 0.00 C ATOM 1112 OG SER A 116 5.592 -14.164 5.120 1.00 0.00 O ATOM 0 H SER A 116 6.063 -11.980 5.038 1.00 0.00 H new ATOM 0 HA SER A 116 8.605 -12.904 4.634 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.286 -15.241 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.406 -14.239 6.092 1.00 0.00 H new ATOM 0 HG SER A 116 5.222 -14.894 5.659 1.00 0.00 H new ATOM 1118 N HIS A 117 6.679 -13.574 2.043 1.00 0.00 N ATOM 1119 CA HIS A 117 6.690 -13.965 0.635 1.00 0.00 C ATOM 1120 C HIS A 117 7.750 -13.172 -0.140 1.00 0.00 C ATOM 1121 O HIS A 117 8.408 -13.710 -1.035 1.00 0.00 O ATOM 1122 CB HIS A 117 5.307 -13.732 0.021 1.00 0.00 C ATOM 1123 CG HIS A 117 5.173 -14.210 -1.379 1.00 0.00 C ATOM 1124 ND1 HIS A 117 4.505 -15.358 -1.732 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.602 -13.661 -2.517 1.00 0.00 C ATOM 1126 CE1 HIS A 117 4.530 -15.489 -3.046 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.190 -14.463 -3.557 1.00 0.00 N ATOM 0 H HIS A 117 5.766 -13.277 2.388 1.00 0.00 H new ATOM 0 HA HIS A 117 6.939 -15.024 0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.560 -14.232 0.637 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.083 -12.666 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.172 -12.748 -2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.086 -16.297 -3.608 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.363 -14.295 -4.548 1.00 0.00 H new ATOM 1136 N CYS A 118 7.913 -11.897 0.220 1.00 0.00 N ATOM 1137 CA CYS A 118 8.892 -11.017 -0.425 1.00 0.00 C ATOM 1138 C CYS A 118 10.326 -11.462 -0.133 1.00 0.00 C ATOM 1139 O CYS A 118 11.011 -10.881 0.708 1.00 0.00 O ATOM 1140 CB CYS A 118 8.689 -9.573 0.040 1.00 0.00 C ATOM 1141 SG CYS A 118 9.403 -8.328 -1.079 1.00 0.00 S ATOM 0 H CYS A 118 7.375 -11.447 0.961 1.00 0.00 H new ATOM 0 HA CYS A 118 8.734 -11.077 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 118 7.621 -9.383 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.132 -9.455 1.029 1.00 0.00 H new ATOM 1146 N GLU A 119 10.770 -12.495 -0.839 1.00 0.00 N ATOM 1147 CA GLU A 119 12.119 -13.029 -0.669 1.00 0.00 C ATOM 1148 C GLU A 119 13.139 -12.210 -1.464 1.00 0.00 C ATOM 1149 O GLU A 119 12.898 -11.869 -2.629 1.00 0.00 O ATOM 1150 CB GLU A 119 12.160 -14.486 -1.119 1.00 0.00 C ATOM 1151 CG GLU A 119 13.546 -15.106 -1.088 1.00 0.00 C ATOM 1152 CD GLU A 119 13.896 -15.708 0.260 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.117 -16.547 0.760 1.00 0.00 O ATOM 1154 OE2 GLU A 119 14.953 -15.340 0.814 1.00 0.00 O ATOM 0 H GLU A 119 10.212 -12.983 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 119 12.380 -12.967 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.498 -15.071 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.766 -14.553 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.609 -15.880 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.284 -14.345 -1.343 1.00 0.00 H new ATOM 1161 N PRO A 120 14.291 -11.875 -0.845 1.00 0.00 N ATOM 1162 CA PRO A 120 15.355 -11.091 -1.498 1.00 0.00 C ATOM 1163 C PRO A 120 15.975 -11.798 -2.713 1.00 0.00 C ATOM 1164 O PRO A 120 15.460 -12.805 -3.196 1.00 0.00 O ATOM 1165 CB PRO A 120 16.407 -10.924 -0.395 1.00 0.00 C ATOM 1166 CG PRO A 120 16.129 -12.023 0.570 1.00 0.00 C ATOM 1167 CD PRO A 120 14.644 -12.225 0.541 1.00 0.00 C ATOM 0 HA PRO A 120 14.964 -10.153 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.417 -10.998 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.326 -9.948 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.653 -12.935 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 120 16.468 -11.759 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.371 -13.253 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.135 -11.585 1.261 1.00 0.00 H new ATOM 1175 N ILE A 121 17.097 -11.262 -3.188 1.00 0.00 N ATOM 1176 CA ILE A 121 17.809 -11.833 -4.332 1.00 0.00 C ATOM 1177 C ILE A 121 19.063 -12.583 -3.872 1.00 0.00 C ATOM 1178 O ILE A 121 19.448 -12.506 -2.704 1.00 0.00 O ATOM 1179 CB ILE A 121 18.220 -10.748 -5.359 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.076 -9.661 -4.690 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.994 -10.146 -6.036 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.284 -8.535 -4.053 1.00 0.00 C ATOM 0 H ILE A 121 17.536 -10.428 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 121 17.120 -12.526 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 121 18.825 -11.223 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.699 -10.127 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.749 -9.237 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 121 17.310 -9.387 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.444 -10.930 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.350 -9.690 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.970 -7.815 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.682 -8.038 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.631 -8.941 -3.281 1.00 0.00 H new ATOM 1260 N GLU B 230 20.680 -4.188 5.405 1.00 0.00 N ATOM 1261 CA GLU B 230 20.064 -3.200 4.519 1.00 0.00 C ATOM 1262 C GLU B 230 18.670 -3.646 4.088 1.00 0.00 C ATOM 1263 O GLU B 230 17.680 -2.978 4.384 1.00 0.00 O ATOM 1264 CB GLU B 230 20.960 -2.942 3.307 1.00 0.00 C ATOM 1265 CG GLU B 230 21.384 -1.485 3.173 1.00 0.00 C ATOM 1266 CD GLU B 230 21.855 -0.881 4.487 1.00 0.00 C ATOM 1267 OE1 GLU B 230 22.993 -1.101 4.905 1.00 0.00 O ATOM 0 HA GLU B 230 19.955 -2.265 5.068 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.850 -3.567 3.382 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.433 -3.245 2.402 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.185 -1.411 2.438 1.00 0.00 H new ATOM 0 HG3 GLU B 230 20.546 -0.902 2.791 1.00 0.00 H new ATOM 1274 N ALA B 231 18.587 -4.793 3.424 1.00 0.00 N ATOM 1275 CA ALA B 231 17.298 -5.329 3.001 1.00 0.00 C ATOM 1276 C ALA B 231 16.521 -5.856 4.212 1.00 0.00 C ATOM 1277 O ALA B 231 15.287 -5.881 4.212 1.00 0.00 O ATOM 1278 CB ALA B 231 17.496 -6.416 1.962 1.00 0.00 C ATOM 0 H ALA B 231 19.391 -5.367 3.168 1.00 0.00 H new ATOM 0 HA ALA B 231 16.713 -4.530 2.545 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.526 -6.807 1.655 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.011 -6.001 1.095 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.094 -7.222 2.388 1.00 0.00 H new ATOM 1284 N HIS B 232 17.256 -6.250 5.259 1.00 0.00 N ATOM 1285 CA HIS B 232 16.641 -6.743 6.487 1.00 0.00 C ATOM 1286 C HIS B 232 15.724 -5.672 7.073 1.00 0.00 C ATOM 1287 O HIS B 232 14.536 -5.919 7.288 1.00 0.00 O ATOM 1288 CB HIS B 232 17.717 -7.146 7.503 1.00 0.00 C ATOM 1289 CG HIS B 232 17.181 -7.821 8.730 1.00 0.00 C ATOM 1290 ND1 HIS B 232 15.838 -8.056 8.946 1.00 0.00 N ATOM 1291 CD2 HIS B 232 17.824 -8.316 9.814 1.00 0.00 C ATOM 1292 CE1 HIS B 232 15.679 -8.666 10.109 1.00 0.00 C ATOM 1293 NE2 HIS B 232 16.870 -8.835 10.655 1.00 0.00 N ATOM 0 H HIS B 232 18.276 -6.235 5.276 1.00 0.00 H new ATOM 0 HA HIS B 232 16.047 -7.627 6.254 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.429 -7.813 7.016 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.269 -6.255 7.804 1.00 0.00 H new ATOM 0 HD2 HIS B 232 18.890 -8.305 9.986 1.00 0.00 H new ATOM 0 HE1 HIS B 232 14.737 -8.973 10.539 1.00 0.00 H new ATOM 0 HE2 HIS B 232 17.052 -9.279 11.555 1.00 0.00 H new ATOM 1302 N LYS B 233 16.276 -4.474 7.301 1.00 0.00 N ATOM 1303 CA LYS B 233 15.487 -3.362 7.831 1.00 0.00 C ATOM 1304 C LYS B 233 14.318 -3.065 6.890 1.00 0.00 C ATOM 1305 O LYS B 233 13.200 -2.798 7.339 1.00 0.00 O ATOM 1306 CB LYS B 233 16.359 -2.108 8.038 1.00 0.00 C ATOM 1307 CG LYS B 233 17.221 -1.725 6.840 1.00 0.00 C ATOM 1308 CD LYS B 233 18.113 -0.529 7.153 1.00 0.00 C ATOM 1309 CE LYS B 233 18.991 -0.147 5.966 1.00 0.00 C ATOM 1310 NZ LYS B 233 20.384 -0.553 6.162 1.00 0.00 N ATOM 0 H LYS B 233 17.257 -4.254 7.128 1.00 0.00 H new ATOM 0 HA LYS B 233 15.093 -3.648 8.806 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.710 -1.268 8.284 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.009 -2.272 8.898 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.839 -2.574 6.548 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.581 -1.490 5.990 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.493 0.322 7.435 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.744 -0.762 8.011 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.601 -0.614 5.061 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.946 0.931 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 20.993 -0.038 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 20.676 -0.334 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.474 -1.576 5.995 1.00 0.00 H new ATOM 1322 N ASN B 234 14.581 -3.154 5.580 1.00 0.00 N ATOM 1323 CA ASN B 234 13.552 -2.934 4.563 1.00 0.00 C ATOM 1324 C ASN B 234 12.378 -3.886 4.789 1.00 0.00 C ATOM 1325 O ASN B 234 11.231 -3.459 4.934 1.00 0.00 O ATOM 1326 CB ASN B 234 14.130 -3.153 3.159 1.00 0.00 C ATOM 1327 CG ASN B 234 15.195 -2.140 2.787 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.528 -1.253 3.566 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.727 -2.264 1.583 1.00 0.00 N ATOM 0 H ASN B 234 15.501 -3.378 5.202 1.00 0.00 H new ATOM 0 HA ASN B 234 13.202 -1.905 4.644 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.555 -4.155 3.100 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.322 -3.106 2.429 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.443 -1.607 1.272 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.422 -3.016 0.966 1.00 0.00 H new ATOM 1336 N ARG B 235 12.680 -5.185 4.836 1.00 0.00 N ATOM 1337 CA ARG B 235 11.656 -6.194 5.063 1.00 0.00 C ATOM 1338 C ARG B 235 11.119 -6.114 6.495 1.00 0.00 C ATOM 1339 O ARG B 235 9.935 -6.348 6.729 1.00 0.00 O ATOM 1340 CB ARG B 235 12.196 -7.590 4.745 1.00 0.00 C ATOM 1341 CG ARG B 235 11.842 -8.043 3.337 1.00 0.00 C ATOM 1342 CD ARG B 235 12.587 -9.303 2.936 1.00 0.00 C ATOM 1343 NE ARG B 235 13.894 -9.003 2.338 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.058 -9.162 2.954 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.109 -9.526 4.223 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.174 -8.937 2.299 1.00 0.00 N ATOM 0 H ARG B 235 13.623 -5.557 4.720 1.00 0.00 H new ATOM 0 HA ARG B 235 10.823 -5.997 4.389 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.280 -7.593 4.863 1.00 0.00 H new ATOM 0 HB3 ARG B 235 11.795 -8.304 5.465 1.00 0.00 H new ATOM 0 HG2 ARG B 235 10.769 -8.222 3.274 1.00 0.00 H new ATOM 0 HG3 ARG B 235 12.074 -7.245 2.631 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.726 -9.936 3.812 1.00 0.00 H new ATOM 0 HD3 ARG B 235 11.985 -9.870 2.226 1.00 0.00 H new ATOM 0 HE ARG B 235 13.908 -8.647 1.382 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.246 -9.689 4.742 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.011 -9.644 4.684 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.142 -8.642 1.323 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.073 -9.057 2.766 1.00 0.00 H new ATOM 1360 N LYS B 236 11.984 -5.746 7.447 1.00 0.00 N ATOM 1361 CA LYS B 236 11.568 -5.598 8.840 1.00 0.00 C ATOM 1362 C LYS B 236 10.468 -4.546 8.942 1.00 0.00 C ATOM 1363 O LYS B 236 9.393 -4.816 9.476 1.00 0.00 O ATOM 1364 CB LYS B 236 12.759 -5.210 9.719 1.00 0.00 C ATOM 1365 CG LYS B 236 12.411 -5.064 11.190 1.00 0.00 C ATOM 1366 CD LYS B 236 12.159 -6.416 11.840 1.00 0.00 C ATOM 1367 CE LYS B 236 10.672 -6.727 11.944 1.00 0.00 C ATOM 1368 NZ LYS B 236 10.411 -8.192 11.848 1.00 0.00 N ATOM 0 H LYS B 236 12.970 -5.547 7.277 1.00 0.00 H new ATOM 0 HA LYS B 236 11.180 -6.553 9.194 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.539 -5.964 9.612 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.174 -4.269 9.358 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.224 -4.556 11.709 1.00 0.00 H new ATOM 0 HG3 LYS B 236 11.525 -4.438 11.295 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.653 -7.195 11.260 1.00 0.00 H new ATOM 0 HD3 LYS B 236 12.603 -6.429 12.835 1.00 0.00 H new ATOM 0 HE2 LYS B 236 10.286 -6.349 12.891 1.00 0.00 H new ATOM 0 HE3 LYS B 236 10.134 -6.208 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 9.394 -8.355 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 10.944 -8.588 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 10.712 -8.657 12.728 1.00 0.00 H new ATOM 1382 N LEU B 237 10.734 -3.359 8.390 1.00 0.00 N ATOM 1383 CA LEU B 237 9.750 -2.275 8.378 1.00 0.00 C ATOM 1384 C LEU B 237 8.469 -2.754 7.698 1.00 0.00 C ATOM 1385 O LEU B 237 7.364 -2.399 8.111 1.00 0.00 O ATOM 1386 CB LEU B 237 10.315 -1.045 7.653 1.00 0.00 C ATOM 1387 CG LEU B 237 10.163 0.283 8.398 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.702 0.566 8.703 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.982 0.272 9.679 1.00 0.00 C ATOM 0 H LEU B 237 11.622 -3.125 7.946 1.00 0.00 H new ATOM 0 HA LEU B 237 9.523 -1.989 9.405 1.00 0.00 H new ATOM 0 HB2 LEU B 237 11.374 -1.214 7.458 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.823 -0.957 6.684 1.00 0.00 H new ATOM 0 HG LEU B 237 10.537 1.079 7.755 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.618 1.515 9.233 1.00 0.00 H new ATOM 0 HD12 LEU B 237 8.140 0.620 7.771 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.299 -0.233 9.324 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.862 1.224 10.196 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.638 -0.537 10.324 1.00 0.00 H new ATOM 0 HD23 LEU B 237 12.034 0.121 9.437 1.00 0.00 H new ATOM 1420 N GLU B 239 7.039 -5.446 7.969 1.00 0.00 N ATOM 1421 CA GLU B 239 6.201 -6.081 8.986 1.00 0.00 C ATOM 1422 C GLU B 239 5.159 -5.093 9.527 1.00 0.00 C ATOM 1423 O GLU B 239 4.019 -5.470 9.824 1.00 0.00 O ATOM 1424 CB GLU B 239 7.076 -6.605 10.127 1.00 0.00 C ATOM 1425 CG GLU B 239 6.289 -7.151 11.313 1.00 0.00 C ATOM 1426 CD GLU B 239 6.794 -8.499 11.790 1.00 0.00 C ATOM 1427 OE1 GLU B 239 8.020 -8.739 11.716 1.00 0.00 O ATOM 1428 OE2 GLU B 239 5.965 -9.314 12.241 1.00 0.00 O ATOM 0 HA GLU B 239 5.672 -6.917 8.528 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.725 -7.392 9.742 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.723 -5.800 10.474 1.00 0.00 H new ATOM 0 HG2 GLU B 239 6.341 -6.438 12.136 1.00 0.00 H new ATOM 0 HG3 GLU B 239 5.239 -7.240 11.035 1.00 0.00 H new ATOM 1435 N ILE B 240 5.558 -3.820 9.626 1.00 0.00 N ATOM 1436 CA ILE B 240 4.666 -2.760 10.109 1.00 0.00 C ATOM 1437 C ILE B 240 3.411 -2.647 9.237 1.00 0.00 C ATOM 1438 O ILE B 240 2.338 -2.282 9.720 1.00 0.00 O ATOM 1439 CB ILE B 240 5.388 -1.389 10.126 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.271 -1.256 11.363 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.384 -0.241 10.073 1.00 0.00 C ATOM 1442 CD1 ILE B 240 6.854 0.131 11.530 1.00 0.00 C ATOM 0 H ILE B 240 6.494 -3.499 9.378 1.00 0.00 H new ATOM 0 HA ILE B 240 4.374 -3.030 11.124 1.00 0.00 H new ATOM 0 HB ILE B 240 6.020 -1.337 9.239 1.00 0.00 H new ATOM 0 HG12 ILE B 240 5.686 -1.507 12.248 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.083 -1.980 11.302 1.00 0.00 H new ATOM 0 HG21 ILE B 240 4.917 0.710 10.086 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.795 -0.314 9.158 1.00 0.00 H new ATOM 0 HG23 ILE B 240 3.721 -0.297 10.936 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.472 0.160 12.427 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.465 0.376 10.661 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.046 0.857 11.622 1.00 0.00 H new ATOM 1454 N ILE B 241 3.565 -2.949 7.951 1.00 0.00 N ATOM 1455 CA ILE B 241 2.463 -2.871 6.997 1.00 0.00 C ATOM 1456 C ILE B 241 1.339 -3.843 7.352 1.00 0.00 C ATOM 1457 O ILE B 241 0.156 -3.495 7.274 1.00 0.00 O ATOM 1458 CB ILE B 241 2.953 -3.146 5.553 1.00 0.00 C ATOM 1459 CG1 ILE B 241 4.252 -2.394 5.260 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.895 -2.732 4.555 1.00 0.00 C ATOM 1461 CD1 ILE B 241 4.262 -0.986 5.803 1.00 0.00 C ATOM 0 H ILE B 241 4.449 -3.252 7.543 1.00 0.00 H new ATOM 0 HA ILE B 241 2.070 -1.856 7.051 1.00 0.00 H new ATOM 0 HB ILE B 241 3.142 -4.216 5.462 1.00 0.00 H new ATOM 0 HG12 ILE B 241 5.088 -2.947 5.688 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.410 -2.361 4.182 1.00 0.00 H new ATOM 0 HG21 ILE B 241 2.251 -2.930 3.544 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.982 -3.300 4.736 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.688 -1.667 4.665 1.00 0.00 H new ATOM 0 HD11 ILE B 241 5.212 -0.509 5.560 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.446 -0.418 5.356 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.135 -1.013 6.885 1.00 0.00 H new