USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 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= 0.199 K(o=1.2,f=-6.5!) USER MOD Set 1.2: A 100 TYR OH : rot -72:sc= 0.994 USER MOD Set 1.3: A 117 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Set 2.1: A 89 ASN : amide:sc= -2.91 K(o=-9.1,f=-14!) USER MOD Set 2.2: B 234 ASN : amide:sc= -6.15! C(o=-9.1!,f=-15!) USER MOD Set 3.1: A 62 THR OG1 : rot 69:sc= 0.387 USER MOD Set 3.2: A 70 CYS SG : rot 7:sc= 0.363 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 63 THR OG1 : rot 148:sc= 0.813 USER MOD Single : A 66 GLN : amide:sc= -3.54! C(o=-3.5!,f=-5.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 87 TYR OH : rot -60:sc= -1.82! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 95 THR OG1 : rot 133:sc= -2.33! USER MOD Single : A 96 THR OG1 : rot -49:sc= 0.0404 USER MOD Single : A 106 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot -146:sc= -1.39! USER MOD Single : A 116 SER OG : rot 180:sc= 0.0662 USER MOD Single : B 232 HIS : no HD1:sc= -0.097 X(o=-0.097,f=-0.29) USER MOD Single : B 233 LYS NZ :NH3+ 160:sc= -11.7! (180deg=-12.1!) USER MOD Single : B 236 LYS NZ :NH3+ -144:sc= 1.3 (180deg=-0.345) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.181 -3.894 -0.510 1.00 0.00 N ATOM 230 CA TYR A 59 -16.057 -3.840 -1.444 1.00 0.00 C ATOM 231 C TYR A 59 -14.897 -3.028 -0.867 1.00 0.00 C ATOM 232 O TYR A 59 -15.078 -1.908 -0.382 1.00 0.00 O ATOM 233 CB TYR A 59 -16.485 -3.271 -2.805 1.00 0.00 C ATOM 234 CG TYR A 59 -17.322 -2.013 -2.727 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.727 -0.757 -2.715 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.709 -2.082 -2.672 1.00 0.00 C ATOM 237 CE1 TYR A 59 -17.491 0.392 -2.648 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.477 -0.937 -2.606 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.864 0.295 -2.594 1.00 0.00 C ATOM 240 OH TYR A 59 -19.627 1.436 -2.525 1.00 0.00 O ATOM 0 HA TYR A 59 -15.715 -4.864 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.592 -3.061 -3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -17.049 -4.034 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.651 -0.678 -2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.194 -3.047 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.014 1.361 -2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.554 -1.008 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.576 1.194 -2.494 1.00 0.00 H new ATOM 250 N CYS A 60 -13.701 -3.603 -0.929 1.00 0.00 N ATOM 251 CA CYS A 60 -12.498 -2.943 -0.421 1.00 0.00 C ATOM 252 C CYS A 60 -12.069 -1.810 -1.347 1.00 0.00 C ATOM 253 O CYS A 60 -12.060 -1.966 -2.569 1.00 0.00 O ATOM 254 CB CYS A 60 -11.348 -3.943 -0.284 1.00 0.00 C ATOM 255 SG CYS A 60 -11.809 -5.537 0.466 1.00 0.00 S ATOM 0 H CYS A 60 -13.536 -4.528 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.737 -2.533 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.928 -4.130 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.560 -3.489 0.317 1.00 0.00 H new ATOM 260 N ASN A 61 -11.706 -0.673 -0.768 1.00 0.00 N ATOM 261 CA ASN A 61 -11.273 0.478 -1.555 1.00 0.00 C ATOM 262 C ASN A 61 -9.820 0.843 -1.254 1.00 0.00 C ATOM 263 O ASN A 61 -9.249 0.381 -0.263 1.00 0.00 O ATOM 264 CB ASN A 61 -12.194 1.670 -1.286 1.00 0.00 C ATOM 265 CG ASN A 61 -12.937 2.112 -2.527 1.00 0.00 C ATOM 266 OD1 ASN A 61 -14.027 1.628 -2.817 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.347 3.034 -3.271 1.00 0.00 N ATOM 0 H ASN A 61 -11.702 -0.521 0.241 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.334 0.212 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.912 1.404 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.604 2.503 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.799 3.369 -4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.440 3.410 -2.993 1.00 0.00 H new ATOM 274 N THR A 62 -9.228 1.663 -2.130 1.00 0.00 N ATOM 275 CA THR A 62 -7.829 2.096 -1.978 1.00 0.00 C ATOM 276 C THR A 62 -7.469 2.334 -0.508 1.00 0.00 C ATOM 277 O THR A 62 -8.021 3.233 0.143 1.00 0.00 O ATOM 278 CB THR A 62 -7.552 3.362 -2.802 1.00 0.00 C ATOM 279 OG1 THR A 62 -6.406 4.046 -2.318 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.697 4.348 -2.803 1.00 0.00 C ATOM 0 H THR A 62 -9.695 2.042 -2.954 1.00 0.00 H new ATOM 0 HA THR A 62 -7.200 1.289 -2.354 1.00 0.00 H new ATOM 0 HB THR A 62 -7.400 3.002 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.604 3.515 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.429 5.216 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.584 3.875 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.905 4.665 -1.781 1.00 0.00 H new ATOM 288 N THR A 63 -6.544 1.517 -0.005 1.00 0.00 N ATOM 289 CA THR A 63 -6.089 1.599 1.384 1.00 0.00 C ATOM 290 C THR A 63 -4.593 1.935 1.452 1.00 0.00 C ATOM 291 O THR A 63 -3.836 1.620 0.531 1.00 0.00 O ATOM 292 CB THR A 63 -6.400 0.271 2.094 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.366 0.467 3.115 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.201 -0.418 2.715 1.00 0.00 C ATOM 0 H THR A 63 -6.090 0.782 -0.546 1.00 0.00 H new ATOM 0 HA THR A 63 -6.619 2.404 1.893 1.00 0.00 H new ATOM 0 HB THR A 63 -6.771 -0.379 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.914 -0.340 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.520 -1.345 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.468 -0.642 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.751 0.237 3.461 1.00 0.00 H new ATOM 302 N LEU A 64 -4.175 2.584 2.541 1.00 0.00 N ATOM 303 CA LEU A 64 -2.771 2.972 2.719 1.00 0.00 C ATOM 304 C LEU A 64 -2.024 2.014 3.656 1.00 0.00 C ATOM 305 O LEU A 64 -2.624 1.121 4.257 1.00 0.00 O ATOM 306 CB LEU A 64 -2.692 4.402 3.263 1.00 0.00 C ATOM 307 CG LEU A 64 -1.814 5.362 2.457 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.468 6.729 2.367 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.430 5.476 3.081 1.00 0.00 C ATOM 0 H LEU A 64 -4.786 2.852 3.312 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.288 2.921 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.701 4.811 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.316 4.364 4.285 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.704 4.962 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.831 7.400 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.437 6.637 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.607 7.133 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.179 6.163 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.520 5.852 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.044 4.494 3.097 1.00 0.00 H new ATOM 321 N ASP A 65 -0.706 2.219 3.768 1.00 0.00 N ATOM 322 CA ASP A 65 0.149 1.393 4.624 1.00 0.00 C ATOM 323 C ASP A 65 1.281 2.222 5.248 1.00 0.00 C ATOM 324 O ASP A 65 1.613 3.304 4.759 1.00 0.00 O ATOM 325 CB ASP A 65 0.747 0.243 3.805 1.00 0.00 C ATOM 326 CG ASP A 65 0.046 -1.085 4.017 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.824 -1.180 4.907 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.377 -2.038 3.283 1.00 0.00 O ATOM 0 H ASP A 65 -0.207 2.957 3.271 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.466 0.993 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.704 0.502 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.800 0.133 4.064 1.00 0.00 H new ATOM 333 N GLN A 66 1.881 1.694 6.321 1.00 0.00 N ATOM 334 CA GLN A 66 2.990 2.367 7.016 1.00 0.00 C ATOM 335 C GLN A 66 4.159 2.659 6.068 1.00 0.00 C ATOM 336 O GLN A 66 4.803 3.703 6.162 1.00 0.00 O ATOM 337 CB GLN A 66 3.473 1.507 8.188 1.00 0.00 C ATOM 338 CG GLN A 66 3.666 2.289 9.481 1.00 0.00 C ATOM 339 CD GLN A 66 5.127 2.483 9.845 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.017 2.314 9.018 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.382 2.842 11.093 1.00 0.00 N ATOM 0 H GLN A 66 1.617 0.798 6.730 1.00 0.00 H new ATOM 0 HA GLN A 66 2.617 3.320 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.753 0.707 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.416 1.034 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.189 3.264 9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.161 1.767 10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.615 2.973 11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.345 2.988 11.395 1.00 0.00 H new ATOM 350 N ILE A 67 4.416 1.725 5.155 1.00 0.00 N ATOM 351 CA ILE A 67 5.497 1.858 4.176 1.00 0.00 C ATOM 352 C ILE A 67 5.053 2.677 2.950 1.00 0.00 C ATOM 353 O ILE A 67 5.835 2.895 2.023 1.00 0.00 O ATOM 354 CB ILE A 67 5.970 0.453 3.717 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.555 -0.327 4.893 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.995 0.544 2.595 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.552 -1.825 4.682 1.00 0.00 C ATOM 0 H ILE A 67 3.885 0.858 5.071 1.00 0.00 H new ATOM 0 HA ILE A 67 6.319 2.387 4.658 1.00 0.00 H new ATOM 0 HB ILE A 67 5.096 -0.075 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.578 0.006 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.986 -0.093 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.302 -0.460 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.553 1.054 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.865 1.103 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.981 -2.316 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.528 -2.170 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.145 -2.069 3.801 1.00 0.00 H new ATOM 369 N GLY A 68 3.789 3.116 2.939 1.00 0.00 N ATOM 370 CA GLY A 68 3.269 3.875 1.810 1.00 0.00 C ATOM 371 C GLY A 68 2.700 2.966 0.729 1.00 0.00 C ATOM 372 O GLY A 68 2.447 3.401 -0.396 1.00 0.00 O ATOM 0 H GLY A 68 3.119 2.958 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.492 4.556 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.065 4.488 1.387 1.00 0.00 H new ATOM 376 N THR A 69 2.504 1.692 1.074 1.00 0.00 N ATOM 377 CA THR A 69 1.977 0.702 0.140 1.00 0.00 C ATOM 378 C THR A 69 0.467 0.865 -0.039 1.00 0.00 C ATOM 379 O THR A 69 -0.322 0.313 0.725 1.00 0.00 O ATOM 380 CB THR A 69 2.312 -0.711 0.638 1.00 0.00 C ATOM 381 OG1 THR A 69 3.701 -0.831 0.900 1.00 0.00 O ATOM 382 CG2 THR A 69 1.945 -1.805 -0.340 1.00 0.00 C ATOM 0 H THR A 69 2.705 1.322 2.003 1.00 0.00 H new ATOM 0 HA THR A 69 2.445 0.857 -0.832 1.00 0.00 H new ATOM 0 HB THR A 69 1.716 -0.840 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.897 -1.737 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.212 -2.774 0.081 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.873 -1.776 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.486 -1.654 -1.274 1.00 0.00 H new ATOM 390 N CYS A 70 0.070 1.632 -1.057 1.00 0.00 N ATOM 391 CA CYS A 70 -1.350 1.862 -1.335 1.00 0.00 C ATOM 392 C CYS A 70 -1.976 0.632 -1.998 1.00 0.00 C ATOM 393 O CYS A 70 -1.483 0.146 -3.025 1.00 0.00 O ATOM 394 CB CYS A 70 -1.537 3.102 -2.221 1.00 0.00 C ATOM 395 SG CYS A 70 -3.187 3.876 -2.093 1.00 0.00 S ATOM 0 H CYS A 70 0.708 2.102 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.857 2.039 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.781 3.841 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.359 2.822 -3.259 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.864 3.300 -1.145 1.00 0.00 H new ATOM 400 N TRP A 71 -3.056 0.130 -1.399 1.00 0.00 N ATOM 401 CA TRP A 71 -3.759 -1.046 -1.912 1.00 0.00 C ATOM 402 C TRP A 71 -5.072 -0.644 -2.587 1.00 0.00 C ATOM 403 O TRP A 71 -5.983 -0.148 -1.924 1.00 0.00 O ATOM 404 CB TRP A 71 -4.015 -2.040 -0.777 1.00 0.00 C ATOM 405 CG TRP A 71 -2.753 -2.510 -0.123 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.126 -1.945 0.948 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.952 -3.634 -0.509 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.987 -2.648 1.254 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.859 -3.691 0.376 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.055 -4.599 -1.515 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.123 -4.674 0.284 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.081 -5.575 -1.605 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.004 -5.607 -0.710 1.00 0.00 C ATOM 0 H TRP A 71 -3.466 0.523 -0.552 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.131 -1.527 -2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.655 -1.573 -0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.558 -2.900 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.475 -1.071 1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.341 -2.429 2.012 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.882 -4.582 -2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.955 -4.700 0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.151 -6.326 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.741 -6.383 -0.806 1.00 0.00 H new ATOM 424 N PRO A 72 -5.173 -0.839 -3.922 1.00 0.00 N ATOM 425 CA PRO A 72 -6.371 -0.479 -4.706 1.00 0.00 C ATOM 426 C PRO A 72 -7.646 -1.207 -4.266 1.00 0.00 C ATOM 427 O PRO A 72 -7.656 -1.937 -3.273 1.00 0.00 O ATOM 428 CB PRO A 72 -5.998 -0.876 -6.142 1.00 0.00 C ATOM 429 CG PRO A 72 -4.870 -1.838 -6.002 1.00 0.00 C ATOM 430 CD PRO A 72 -4.116 -1.410 -4.779 1.00 0.00 C ATOM 0 HA PRO A 72 -6.611 0.577 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.843 -1.333 -6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.702 -0.005 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.238 -2.859 -5.897 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.229 -1.819 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.616 -2.251 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.347 -0.675 -5.015 1.00 0.00 H new ATOM 438 N GLN A 73 -8.728 -0.981 -5.016 1.00 0.00 N ATOM 439 CA GLN A 73 -10.026 -1.588 -4.720 1.00 0.00 C ATOM 440 C GLN A 73 -9.972 -3.122 -4.723 1.00 0.00 C ATOM 441 O GLN A 73 -9.137 -3.734 -5.393 1.00 0.00 O ATOM 442 CB GLN A 73 -11.075 -1.102 -5.724 1.00 0.00 C ATOM 443 CG GLN A 73 -12.132 -0.192 -5.113 1.00 0.00 C ATOM 444 CD GLN A 73 -13.495 -0.374 -5.745 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.794 0.217 -6.778 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.329 -1.195 -5.127 1.00 0.00 N ATOM 0 H GLN A 73 -8.729 -0.377 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.304 -1.275 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.573 -0.569 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.566 -1.967 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.202 -0.391 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.820 0.846 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.039 -1.666 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.261 -1.357 -5.508 1.00 0.00 H new ATOM 455 N SER A 74 -10.886 -3.723 -3.964 1.00 0.00 N ATOM 456 CA SER A 74 -10.990 -5.182 -3.850 1.00 0.00 C ATOM 457 C SER A 74 -12.321 -5.576 -3.194 1.00 0.00 C ATOM 458 O SER A 74 -13.260 -4.777 -3.166 1.00 0.00 O ATOM 459 CB SER A 74 -9.811 -5.744 -3.048 1.00 0.00 C ATOM 460 OG SER A 74 -9.555 -7.094 -3.403 1.00 0.00 O ATOM 0 H SER A 74 -11.576 -3.216 -3.410 1.00 0.00 H new ATOM 0 HA SER A 74 -10.959 -5.608 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.922 -5.141 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.027 -5.679 -1.982 1.00 0.00 H new ATOM 0 HG SER A 74 -8.798 -7.432 -2.880 1.00 0.00 H new ATOM 466 N ALA A 75 -12.410 -6.798 -2.664 1.00 0.00 N ATOM 467 CA ALA A 75 -13.647 -7.260 -2.011 1.00 0.00 C ATOM 468 C ALA A 75 -13.431 -8.567 -1.233 1.00 0.00 C ATOM 469 O ALA A 75 -12.349 -9.157 -1.293 1.00 0.00 O ATOM 470 CB ALA A 75 -14.758 -7.419 -3.048 1.00 0.00 C ATOM 0 H ALA A 75 -11.653 -7.482 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.946 -6.504 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.669 -7.761 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.945 -6.460 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.454 -8.150 -3.798 1.00 0.00 H new ATOM 476 N PRO A 76 -14.455 -9.034 -0.479 1.00 0.00 N ATOM 477 CA PRO A 76 -14.361 -10.269 0.316 1.00 0.00 C ATOM 478 C PRO A 76 -13.985 -11.492 -0.518 1.00 0.00 C ATOM 479 O PRO A 76 -14.461 -11.670 -1.643 1.00 0.00 O ATOM 480 CB PRO A 76 -15.765 -10.437 0.911 1.00 0.00 C ATOM 481 CG PRO A 76 -16.643 -9.541 0.109 1.00 0.00 C ATOM 482 CD PRO A 76 -15.774 -8.400 -0.327 1.00 0.00 C ATOM 0 HA PRO A 76 -13.574 -10.193 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.098 -11.473 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.781 -10.162 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.058 -10.067 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.486 -9.186 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.122 -7.961 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.755 -7.600 0.413 1.00 0.00 H new ATOM 490 N GLY A 77 -13.120 -12.330 0.050 1.00 0.00 N ATOM 491 CA GLY A 77 -12.673 -13.533 -0.642 1.00 0.00 C ATOM 492 C GLY A 77 -11.775 -13.234 -1.833 1.00 0.00 C ATOM 493 O GLY A 77 -11.561 -14.100 -2.682 1.00 0.00 O ATOM 0 H GLY A 77 -12.719 -12.199 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.136 -14.171 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.543 -14.095 -0.982 1.00 0.00 H new ATOM 497 N ALA A 78 -11.250 -12.008 -1.900 1.00 0.00 N ATOM 498 CA ALA A 78 -10.377 -11.607 -2.996 1.00 0.00 C ATOM 499 C ALA A 78 -8.948 -11.368 -2.509 1.00 0.00 C ATOM 500 O ALA A 78 -8.698 -10.501 -1.665 1.00 0.00 O ATOM 501 CB ALA A 78 -10.926 -10.364 -3.682 1.00 0.00 C ATOM 0 H ALA A 78 -11.417 -11.279 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.348 -12.422 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.263 -10.076 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.919 -10.576 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.989 -9.549 -2.961 1.00 0.00 H new ATOM 507 N LEU A 79 -8.015 -12.144 -3.053 1.00 0.00 N ATOM 508 CA LEU A 79 -6.608 -12.028 -2.695 1.00 0.00 C ATOM 509 C LEU A 79 -5.915 -11.017 -3.606 1.00 0.00 C ATOM 510 O LEU A 79 -5.606 -11.316 -4.762 1.00 0.00 O ATOM 511 CB LEU A 79 -5.928 -13.401 -2.788 1.00 0.00 C ATOM 512 CG LEU A 79 -4.462 -13.457 -2.335 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.551 -12.858 -3.391 1.00 0.00 C ATOM 514 CD2 LEU A 79 -4.278 -12.740 -1.007 1.00 0.00 C ATOM 0 H LEU A 79 -8.212 -12.864 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.529 -11.673 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.500 -14.109 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.982 -13.742 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.191 -14.504 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.517 -12.908 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.654 -13.418 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.827 -11.817 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.232 -12.793 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.572 -11.696 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.898 -13.216 -0.247 1.00 0.00 H new ATOM 526 N VAL A 80 -5.670 -9.817 -3.085 1.00 0.00 N ATOM 527 CA VAL A 80 -5.009 -8.774 -3.862 1.00 0.00 C ATOM 528 C VAL A 80 -3.488 -8.975 -3.848 1.00 0.00 C ATOM 529 O VAL A 80 -2.859 -9.039 -2.784 1.00 0.00 O ATOM 530 CB VAL A 80 -5.400 -7.352 -3.364 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.250 -6.642 -2.662 1.00 0.00 C ATOM 532 CG2 VAL A 80 -5.907 -6.510 -4.523 1.00 0.00 C ATOM 0 H VAL A 80 -5.918 -9.545 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.353 -8.855 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.195 -7.478 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.577 -5.655 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.936 -7.225 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.412 -6.537 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.177 -5.518 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.125 -6.421 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.783 -6.987 -4.963 1.00 0.00 H new ATOM 542 N GLU A 81 -2.907 -9.098 -5.040 1.00 0.00 N ATOM 543 CA GLU A 81 -1.468 -9.314 -5.176 1.00 0.00 C ATOM 544 C GLU A 81 -0.795 -8.141 -5.884 1.00 0.00 C ATOM 545 O GLU A 81 -1.422 -7.445 -6.688 1.00 0.00 O ATOM 546 CB GLU A 81 -1.206 -10.606 -5.951 1.00 0.00 C ATOM 547 CG GLU A 81 -0.734 -11.761 -5.079 1.00 0.00 C ATOM 548 CD GLU A 81 -0.775 -13.094 -5.802 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.313 -13.159 -6.961 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.273 -14.071 -5.211 1.00 0.00 O ATOM 0 H GLU A 81 -3.411 -9.052 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.043 -9.395 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.120 -10.902 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.457 -10.413 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.284 -11.565 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.358 -11.816 -4.187 1.00 0.00 H new ATOM 557 N ARG A 82 0.483 -7.932 -5.586 1.00 0.00 N ATOM 558 CA ARG A 82 1.248 -6.846 -6.197 1.00 0.00 C ATOM 559 C ARG A 82 2.709 -6.872 -5.733 1.00 0.00 C ATOM 560 O ARG A 82 3.048 -7.557 -4.763 1.00 0.00 O ATOM 561 CB ARG A 82 0.598 -5.491 -5.867 1.00 0.00 C ATOM 562 CG ARG A 82 0.946 -4.947 -4.486 1.00 0.00 C ATOM 563 CD ARG A 82 1.918 -3.782 -4.579 1.00 0.00 C ATOM 564 NE ARG A 82 1.338 -2.642 -5.295 1.00 0.00 N ATOM 565 CZ ARG A 82 0.572 -1.711 -4.738 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.287 -1.753 -3.453 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.092 -0.730 -5.472 1.00 0.00 N ATOM 0 H ARG A 82 1.013 -8.500 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 82 1.240 -6.986 -7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.903 -4.763 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.485 -5.593 -5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.036 -4.624 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.383 -5.741 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.209 -3.471 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.826 -4.106 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 82 1.537 -2.558 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.656 -2.507 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.303 -1.032 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.308 -0.685 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.496 -0.014 -5.045 1.00 0.00 H new ATOM 581 N PRO A 83 3.598 -6.131 -6.423 1.00 0.00 N ATOM 582 CA PRO A 83 5.024 -6.080 -6.070 1.00 0.00 C ATOM 583 C PRO A 83 5.271 -5.347 -4.746 1.00 0.00 C ATOM 584 O PRO A 83 4.804 -4.223 -4.549 1.00 0.00 O ATOM 585 CB PRO A 83 5.647 -5.310 -7.239 1.00 0.00 C ATOM 586 CG PRO A 83 4.538 -4.471 -7.765 1.00 0.00 C ATOM 587 CD PRO A 83 3.293 -5.296 -7.602 1.00 0.00 C ATOM 0 HA PRO A 83 5.447 -7.074 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.486 -4.697 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.028 -5.988 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.461 -3.533 -7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.703 -4.214 -8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.414 -4.672 -7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.093 -5.903 -8.485 1.00 0.00 H new ATOM 595 N CYS A 84 6.008 -5.991 -3.845 1.00 0.00 N ATOM 596 CA CYS A 84 6.322 -5.399 -2.538 1.00 0.00 C ATOM 597 C CYS A 84 7.351 -4.278 -2.677 1.00 0.00 C ATOM 598 O CYS A 84 8.171 -4.288 -3.597 1.00 0.00 O ATOM 599 CB CYS A 84 6.847 -6.470 -1.577 1.00 0.00 C ATOM 600 SG CYS A 84 8.028 -7.634 -2.330 1.00 0.00 S ATOM 0 H CYS A 84 6.400 -6.921 -3.991 1.00 0.00 H new ATOM 0 HA CYS A 84 5.402 -4.977 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.327 -5.979 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.002 -7.033 -1.181 1.00 0.00 H new ATOM 605 N PRO A 85 7.325 -3.286 -1.766 1.00 0.00 N ATOM 606 CA PRO A 85 8.261 -2.157 -1.813 1.00 0.00 C ATOM 607 C PRO A 85 9.682 -2.506 -1.358 1.00 0.00 C ATOM 608 O PRO A 85 10.239 -1.851 -0.471 1.00 0.00 O ATOM 609 CB PRO A 85 7.628 -1.143 -0.863 1.00 0.00 C ATOM 610 CG PRO A 85 6.889 -1.976 0.128 1.00 0.00 C ATOM 611 CD PRO A 85 6.382 -3.173 -0.634 1.00 0.00 C ATOM 0 HA PRO A 85 8.395 -1.799 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.385 -0.526 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.957 -0.467 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.542 -2.281 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.065 -1.417 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.385 -4.072 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.358 -3.026 -0.978 1.00 0.00 H new ATOM 619 N GLU A 86 10.286 -3.511 -1.995 1.00 0.00 N ATOM 620 CA GLU A 86 11.663 -3.898 -1.667 1.00 0.00 C ATOM 621 C GLU A 86 12.615 -2.759 -2.038 1.00 0.00 C ATOM 622 O GLU A 86 13.664 -2.574 -1.413 1.00 0.00 O ATOM 623 CB GLU A 86 12.075 -5.186 -2.401 1.00 0.00 C ATOM 624 CG GLU A 86 13.587 -5.333 -2.568 1.00 0.00 C ATOM 625 CD GLU A 86 14.080 -6.765 -2.475 1.00 0.00 C ATOM 626 OE1 GLU A 86 13.791 -7.431 -1.459 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.785 -7.209 -3.405 1.00 0.00 O ATOM 0 H GLU A 86 9.852 -4.067 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 86 11.718 -4.092 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.692 -6.046 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.605 -5.201 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.878 -4.921 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.087 -4.737 -1.804 1.00 0.00 H new ATOM 634 N TYR A 87 12.226 -1.981 -3.052 1.00 0.00 N ATOM 635 CA TYR A 87 13.028 -0.850 -3.510 1.00 0.00 C ATOM 636 C TYR A 87 12.755 0.386 -2.646 1.00 0.00 C ATOM 637 O TYR A 87 12.512 1.482 -3.153 1.00 0.00 O ATOM 638 CB TYR A 87 12.746 -0.550 -4.995 1.00 0.00 C ATOM 639 CG TYR A 87 12.277 -1.749 -5.806 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.871 -3.000 -5.659 1.00 0.00 C ATOM 641 CD2 TYR A 87 11.234 -1.626 -6.715 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.435 -4.089 -6.394 1.00 0.00 C ATOM 643 CE2 TYR A 87 10.796 -2.711 -7.454 1.00 0.00 C ATOM 644 CZ TYR A 87 11.398 -3.938 -7.289 1.00 0.00 C ATOM 645 OH TYR A 87 10.959 -5.017 -8.018 1.00 0.00 O ATOM 0 H TYR A 87 11.358 -2.117 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 87 14.081 -1.112 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.989 0.232 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.653 -0.152 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.685 -3.123 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 87 10.756 -0.666 -6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 87 12.905 -5.053 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.985 -2.596 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 87 11.695 -5.363 -8.565 1.00 0.00 H new ATOM 655 N PHE A 88 12.812 0.193 -1.328 1.00 0.00 N ATOM 656 CA PHE A 88 12.584 1.266 -0.361 1.00 0.00 C ATOM 657 C PHE A 88 13.910 1.956 0.003 1.00 0.00 C ATOM 658 O PHE A 88 14.091 2.442 1.120 1.00 0.00 O ATOM 659 CB PHE A 88 11.920 0.670 0.889 1.00 0.00 C ATOM 660 CG PHE A 88 11.143 1.642 1.741 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.136 3.002 1.471 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.416 1.177 2.827 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.421 3.876 2.268 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.699 2.046 3.625 1.00 0.00 C ATOM 665 CZ PHE A 88 9.702 3.397 3.347 1.00 0.00 C ATOM 0 H PHE A 88 13.017 -0.711 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 88 11.928 2.020 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.248 -0.128 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.693 0.212 1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.695 3.382 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.411 0.121 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.424 4.933 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.136 1.668 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.144 4.079 3.971 1.00 0.00 H new ATOM 675 N ASN A 89 14.836 1.982 -0.961 1.00 0.00 N ATOM 676 CA ASN A 89 16.158 2.588 -0.774 1.00 0.00 C ATOM 677 C ASN A 89 16.949 2.598 -2.088 1.00 0.00 C ATOM 678 O ASN A 89 17.597 3.588 -2.431 1.00 0.00 O ATOM 679 CB ASN A 89 16.944 1.812 0.296 1.00 0.00 C ATOM 680 CG ASN A 89 17.383 0.437 -0.178 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.530 0.243 -0.561 1.00 0.00 O ATOM 682 ND2 ASN A 89 16.470 -0.522 -0.164 1.00 0.00 N ATOM 0 H ASN A 89 14.691 1.585 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 89 16.016 3.618 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.822 2.389 0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.326 1.704 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.712 -1.461 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.525 -0.321 0.162 1.00 0.00 H new ATOM 689 N GLY A 90 16.893 1.470 -2.804 1.00 0.00 N ATOM 690 CA GLY A 90 17.607 1.322 -4.065 1.00 0.00 C ATOM 691 C GLY A 90 18.456 0.061 -4.086 1.00 0.00 C ATOM 692 O GLY A 90 19.614 0.093 -4.507 1.00 0.00 O ATOM 0 H GLY A 90 16.358 0.647 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.892 1.293 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.243 2.192 -4.227 1.00 0.00 H new ATOM 696 N ILE A 91 17.875 -1.050 -3.618 1.00 0.00 N ATOM 697 CA ILE A 91 18.578 -2.333 -3.565 1.00 0.00 C ATOM 698 C ILE A 91 17.729 -3.474 -4.127 1.00 0.00 C ATOM 699 O ILE A 91 16.530 -3.561 -3.852 1.00 0.00 O ATOM 700 CB ILE A 91 18.984 -2.684 -2.118 1.00 0.00 C ATOM 701 CG1 ILE A 91 20.192 -1.860 -1.685 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.281 -4.171 -1.976 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.547 -2.040 -0.230 1.00 0.00 C ATOM 0 H ILE A 91 16.917 -1.084 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 91 19.470 -2.221 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 91 18.144 -2.442 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.050 -2.136 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.991 -0.806 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.564 -4.389 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.393 -4.746 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.099 -4.444 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.415 -1.426 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.704 -1.737 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.779 -3.088 -0.039 1.00 0.00 H new ATOM 715 N LYS A 92 18.393 -4.351 -4.886 1.00 0.00 N ATOM 716 CA LYS A 92 17.782 -5.536 -5.511 1.00 0.00 C ATOM 717 C LYS A 92 18.572 -5.918 -6.773 1.00 0.00 C ATOM 718 O LYS A 92 19.193 -5.061 -7.403 1.00 0.00 O ATOM 719 CB LYS A 92 16.291 -5.319 -5.840 1.00 0.00 C ATOM 720 CG LYS A 92 15.915 -5.595 -7.286 1.00 0.00 C ATOM 721 CD LYS A 92 16.279 -4.425 -8.178 1.00 0.00 C ATOM 722 CE LYS A 92 15.177 -3.378 -8.187 1.00 0.00 C ATOM 723 NZ LYS A 92 14.975 -2.791 -9.541 1.00 0.00 N ATOM 0 H LYS A 92 19.388 -4.259 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 92 17.827 -6.356 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.693 -5.962 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.026 -4.289 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.426 -6.493 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.845 -5.790 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.209 -3.975 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.456 -4.780 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.246 -3.829 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.425 -2.585 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.215 -2.082 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.856 -2.337 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.713 -3.543 -10.210 1.00 0.00 H new ATOM 737 N TYR A 93 18.563 -7.206 -7.125 1.00 0.00 N ATOM 738 CA TYR A 93 19.302 -7.677 -8.302 1.00 0.00 C ATOM 739 C TYR A 93 18.584 -8.833 -9.029 1.00 0.00 C ATOM 740 O TYR A 93 19.206 -9.565 -9.802 1.00 0.00 O ATOM 741 CB TYR A 93 20.720 -8.108 -7.885 1.00 0.00 C ATOM 742 CG TYR A 93 21.417 -7.121 -6.963 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.134 -7.095 -5.602 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.348 -6.213 -7.453 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.756 -6.197 -4.757 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.977 -5.310 -6.610 1.00 0.00 C ATOM 747 CZ TYR A 93 22.676 -5.309 -5.264 1.00 0.00 C ATOM 748 OH TYR A 93 23.296 -4.418 -4.419 1.00 0.00 O ATOM 0 H TYR A 93 18.059 -7.935 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 93 19.358 -6.847 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.664 -9.077 -7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.326 -8.244 -8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.414 -7.791 -5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.585 -6.211 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.521 -6.192 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.699 -4.611 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 93 23.919 -3.861 -4.931 1.00 0.00 H new ATOM 758 N ASN A 94 17.277 -8.979 -8.791 1.00 0.00 N ATOM 759 CA ASN A 94 16.477 -10.029 -9.434 1.00 0.00 C ATOM 760 C ASN A 94 14.984 -9.765 -9.223 1.00 0.00 C ATOM 761 O ASN A 94 14.315 -9.245 -10.112 1.00 0.00 O ATOM 762 CB ASN A 94 16.866 -11.416 -8.894 1.00 0.00 C ATOM 763 CG ASN A 94 16.491 -12.536 -9.845 1.00 0.00 C ATOM 764 OD1 ASN A 94 15.315 -12.783 -10.097 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.490 -13.231 -10.369 1.00 0.00 N ATOM 0 H ASN A 94 16.748 -8.382 -8.156 1.00 0.00 H new ATOM 0 HA ASN A 94 16.682 -10.013 -10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.940 -11.443 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.376 -11.579 -7.934 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.295 -14.003 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.454 -12.994 -10.135 1.00 0.00 H new ATOM 772 N THR A 95 14.483 -10.081 -8.026 1.00 0.00 N ATOM 773 CA THR A 95 13.082 -9.844 -7.667 1.00 0.00 C ATOM 774 C THR A 95 12.113 -10.737 -8.448 1.00 0.00 C ATOM 775 O THR A 95 11.741 -10.432 -9.582 1.00 0.00 O ATOM 776 CB THR A 95 12.711 -8.377 -7.893 1.00 0.00 C ATOM 777 OG1 THR A 95 13.865 -7.557 -7.960 1.00 0.00 O ATOM 778 CG2 THR A 95 11.812 -7.815 -6.817 1.00 0.00 C ATOM 0 H THR A 95 15.034 -10.507 -7.281 1.00 0.00 H new ATOM 0 HA THR A 95 12.987 -10.095 -6.610 1.00 0.00 H new ATOM 0 HB THR A 95 12.173 -8.367 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.797 -6.958 -8.733 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.588 -6.772 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.884 -8.386 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.314 -7.881 -5.852 1.00 0.00 H new ATOM 786 N THR A 96 11.688 -11.831 -7.816 1.00 0.00 N ATOM 787 CA THR A 96 10.739 -12.767 -8.432 1.00 0.00 C ATOM 788 C THR A 96 9.619 -13.167 -7.451 1.00 0.00 C ATOM 789 O THR A 96 8.912 -14.153 -7.672 1.00 0.00 O ATOM 790 CB THR A 96 11.477 -14.012 -8.943 1.00 0.00 C ATOM 791 OG1 THR A 96 10.738 -14.642 -9.977 1.00 0.00 O ATOM 792 CG2 THR A 96 11.746 -15.049 -7.871 1.00 0.00 C ATOM 0 H THR A 96 11.985 -12.094 -6.876 1.00 0.00 H new ATOM 0 HA THR A 96 10.271 -12.261 -9.276 1.00 0.00 H new ATOM 0 HB THR A 96 12.436 -13.643 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.806 -14.752 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.270 -15.898 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.361 -14.609 -7.086 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.801 -15.386 -7.446 1.00 0.00 H new ATOM 800 N ARG A 97 9.450 -12.386 -6.377 1.00 0.00 N ATOM 801 CA ARG A 97 8.410 -12.654 -5.380 1.00 0.00 C ATOM 802 C ARG A 97 7.302 -11.599 -5.472 1.00 0.00 C ATOM 803 O ARG A 97 7.463 -10.575 -6.136 1.00 0.00 O ATOM 804 CB ARG A 97 8.997 -12.686 -3.952 1.00 0.00 C ATOM 805 CG ARG A 97 10.514 -12.842 -3.891 1.00 0.00 C ATOM 806 CD ARG A 97 10.943 -14.291 -4.094 1.00 0.00 C ATOM 807 NE ARG A 97 12.187 -14.604 -3.375 1.00 0.00 N ATOM 808 CZ ARG A 97 13.377 -14.096 -3.670 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.514 -13.270 -4.687 1.00 0.00 N ATOM 810 NH2 ARG A 97 14.435 -14.430 -2.958 1.00 0.00 N ATOM 0 H ARG A 97 10.020 -11.564 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 97 7.987 -13.636 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.719 -11.766 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.538 -13.508 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.975 -12.216 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.877 -12.487 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.150 -14.955 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.082 -14.482 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 97 12.131 -15.258 -2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.703 -13.018 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.431 -12.882 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.340 -15.080 -2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.348 -14.038 -3.187 1.00 0.00 H new ATOM 824 N ASN A 98 6.176 -11.857 -4.814 1.00 0.00 N ATOM 825 CA ASN A 98 5.040 -10.929 -4.839 1.00 0.00 C ATOM 826 C ASN A 98 4.387 -10.780 -3.460 1.00 0.00 C ATOM 827 O ASN A 98 4.576 -11.618 -2.574 1.00 0.00 O ATOM 828 CB ASN A 98 4.004 -11.394 -5.874 1.00 0.00 C ATOM 829 CG ASN A 98 3.602 -12.849 -5.707 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.400 -13.694 -5.288 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.359 -13.161 -6.031 1.00 0.00 N ATOM 0 H ASN A 98 6.022 -12.697 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 98 5.421 -9.948 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.116 -10.767 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.410 -11.249 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.034 -14.123 -5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.725 -12.439 -6.374 1.00 0.00 H new ATOM 838 N ALA A 99 3.618 -9.700 -3.293 1.00 0.00 N ATOM 839 CA ALA A 99 2.932 -9.418 -2.032 1.00 0.00 C ATOM 840 C ALA A 99 1.484 -9.914 -2.066 1.00 0.00 C ATOM 841 O ALA A 99 0.747 -9.649 -3.020 1.00 0.00 O ATOM 842 CB ALA A 99 2.989 -7.923 -1.739 1.00 0.00 C ATOM 0 H ALA A 99 3.455 -9.004 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 99 3.441 -9.955 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.477 -7.717 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.029 -7.607 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.501 -7.375 -2.546 1.00 0.00 H new ATOM 848 N TYR A 100 1.089 -10.647 -1.026 1.00 0.00 N ATOM 849 CA TYR A 100 -0.263 -11.202 -0.939 1.00 0.00 C ATOM 850 C TYR A 100 -1.101 -10.497 0.129 1.00 0.00 C ATOM 851 O TYR A 100 -0.855 -10.650 1.328 1.00 0.00 O ATOM 852 CB TYR A 100 -0.195 -12.707 -0.642 1.00 0.00 C ATOM 853 CG TYR A 100 0.813 -13.453 -1.490 1.00 0.00 C ATOM 854 CD1 TYR A 100 2.150 -13.519 -1.118 1.00 0.00 C ATOM 855 CD2 TYR A 100 0.427 -14.086 -2.661 1.00 0.00 C ATOM 856 CE1 TYR A 100 3.073 -14.195 -1.892 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.346 -14.764 -3.440 1.00 0.00 C ATOM 858 CZ TYR A 100 2.665 -14.815 -3.050 1.00 0.00 C ATOM 859 OH TYR A 100 3.584 -15.482 -3.823 1.00 0.00 O ATOM 0 H TYR A 100 1.686 -10.871 -0.230 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.749 -11.040 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.053 -12.849 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.181 -13.144 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.473 -13.034 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.607 -14.049 -2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.109 -14.236 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.030 -15.252 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 100 4.163 -14.834 -4.276 1.00 0.00 H new ATOM 869 N ARG A 101 -2.100 -9.732 -0.313 1.00 0.00 N ATOM 870 CA ARG A 101 -2.987 -9.016 0.604 1.00 0.00 C ATOM 871 C ARG A 101 -4.453 -9.357 0.303 1.00 0.00 C ATOM 872 O ARG A 101 -5.060 -8.801 -0.614 1.00 0.00 O ATOM 873 CB ARG A 101 -2.747 -7.506 0.501 1.00 0.00 C ATOM 874 CG ARG A 101 -2.649 -6.807 1.850 1.00 0.00 C ATOM 875 CD ARG A 101 -3.529 -5.570 1.899 1.00 0.00 C ATOM 876 NE ARG A 101 -3.188 -4.695 3.026 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.582 -4.893 4.280 1.00 0.00 C ATOM 878 NH1 ARG A 101 -4.324 -5.939 4.594 1.00 0.00 N ATOM 879 NH2 ARG A 101 -3.222 -4.039 5.219 1.00 0.00 N ATOM 0 H ARG A 101 -2.315 -9.592 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.767 -9.330 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.827 -7.331 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.558 -7.057 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.944 -7.497 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.613 -6.526 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.427 -5.016 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.574 -5.871 1.978 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.608 -3.878 2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.600 -6.604 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.621 -6.082 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.645 -3.233 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.521 -4.185 6.183 1.00 0.00 H new ATOM 893 N GLU A 102 -5.006 -10.296 1.066 1.00 0.00 N ATOM 894 CA GLU A 102 -6.390 -10.744 0.871 1.00 0.00 C ATOM 895 C GLU A 102 -7.406 -9.858 1.603 1.00 0.00 C ATOM 896 O GLU A 102 -7.085 -9.213 2.605 1.00 0.00 O ATOM 897 CB GLU A 102 -6.527 -12.189 1.355 1.00 0.00 C ATOM 898 CG GLU A 102 -7.618 -12.978 0.649 1.00 0.00 C ATOM 899 CD GLU A 102 -8.475 -13.762 1.620 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.310 -13.137 2.305 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.298 -14.995 1.704 1.00 0.00 O ATOM 0 H GLU A 102 -4.518 -10.765 1.829 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.610 -10.673 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.575 -12.700 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.731 -12.185 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.248 -12.294 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.164 -13.663 -0.067 1.00 0.00 H new ATOM 908 N CYS A 103 -8.644 -9.850 1.095 1.00 0.00 N ATOM 909 CA CYS A 103 -9.727 -9.069 1.701 1.00 0.00 C ATOM 910 C CYS A 103 -10.683 -9.980 2.473 1.00 0.00 C ATOM 911 O CYS A 103 -11.169 -10.981 1.944 1.00 0.00 O ATOM 912 CB CYS A 103 -10.491 -8.278 0.639 1.00 0.00 C ATOM 913 SG CYS A 103 -10.034 -6.516 0.573 1.00 0.00 S ATOM 0 H CYS A 103 -8.920 -10.376 0.266 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.280 -8.362 2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.311 -8.728 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.560 -8.360 0.836 1.00 0.00 H new ATOM 918 N LEU A 104 -10.938 -9.621 3.729 1.00 0.00 N ATOM 919 CA LEU A 104 -11.816 -10.394 4.609 1.00 0.00 C ATOM 920 C LEU A 104 -13.230 -10.555 4.034 1.00 0.00 C ATOM 921 O LEU A 104 -13.751 -9.673 3.345 1.00 0.00 O ATOM 922 CB LEU A 104 -11.869 -9.747 5.997 1.00 0.00 C ATOM 923 CG LEU A 104 -10.517 -9.622 6.706 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.611 -8.651 7.870 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.041 -10.983 7.187 1.00 0.00 C ATOM 0 H LEU A 104 -10.544 -8.788 4.166 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.394 -11.396 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.305 -8.753 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.540 -10.330 6.628 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.790 -9.233 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.641 -8.576 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.908 -7.669 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.352 -9.010 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.079 -10.876 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.769 -11.398 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.933 -11.653 6.334 1.00 0.00 H new ATOM 937 N GLU A 105 -13.833 -11.704 4.339 1.00 0.00 N ATOM 938 CA GLU A 105 -15.184 -12.051 3.876 1.00 0.00 C ATOM 939 C GLU A 105 -16.223 -11.006 4.287 1.00 0.00 C ATOM 940 O GLU A 105 -17.162 -10.729 3.539 1.00 0.00 O ATOM 941 CB GLU A 105 -15.591 -13.425 4.417 1.00 0.00 C ATOM 942 CG GLU A 105 -15.914 -14.434 3.325 1.00 0.00 C ATOM 943 CD GLU A 105 -17.007 -15.401 3.730 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.691 -16.399 4.408 1.00 0.00 O ATOM 945 OE2 GLU A 105 -18.177 -15.159 3.368 1.00 0.00 O ATOM 0 H GLU A 105 -13.400 -12.425 4.916 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.154 -12.077 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.784 -13.817 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.461 -13.309 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.220 -13.903 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.013 -14.994 3.075 1.00 0.00 H new ATOM 952 N ASN A 106 -16.050 -10.421 5.472 1.00 0.00 N ATOM 953 CA ASN A 106 -16.978 -9.402 5.966 1.00 0.00 C ATOM 954 C ASN A 106 -16.912 -8.116 5.125 1.00 0.00 C ATOM 955 O ASN A 106 -17.721 -7.209 5.315 1.00 0.00 O ATOM 956 CB ASN A 106 -16.678 -9.079 7.436 1.00 0.00 C ATOM 957 CG ASN A 106 -17.226 -10.125 8.389 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.068 -10.940 8.021 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.752 -10.103 9.625 1.00 0.00 N ATOM 0 H ASN A 106 -15.280 -10.633 6.106 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.986 -9.807 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.600 -8.998 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.105 -8.107 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.086 -10.780 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.053 -9.409 9.891 1.00 0.00 H new ATOM 966 N GLY A 107 -15.946 -8.040 4.202 1.00 0.00 N ATOM 967 CA GLY A 107 -15.801 -6.860 3.364 1.00 0.00 C ATOM 968 C GLY A 107 -14.805 -5.871 3.934 1.00 0.00 C ATOM 969 O GLY A 107 -15.062 -4.667 3.963 1.00 0.00 O ATOM 0 H GLY A 107 -15.264 -8.777 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.480 -7.162 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.770 -6.374 3.253 1.00 0.00 H new ATOM 973 N THR A 108 -13.665 -6.385 4.396 1.00 0.00 N ATOM 974 CA THR A 108 -12.623 -5.538 4.981 1.00 0.00 C ATOM 975 C THR A 108 -11.230 -6.042 4.613 1.00 0.00 C ATOM 976 O THR A 108 -11.068 -7.175 4.165 1.00 0.00 O ATOM 977 CB THR A 108 -12.773 -5.487 6.506 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.960 -6.789 7.040 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.937 -4.635 6.962 1.00 0.00 C ATOM 0 H THR A 108 -13.439 -7.380 4.377 1.00 0.00 H new ATOM 0 HA THR A 108 -12.742 -4.534 4.575 1.00 0.00 H new ATOM 0 HB THR A 108 -11.848 -5.041 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.052 -6.733 8.014 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.988 -4.641 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.799 -3.612 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.864 -5.037 6.554 1.00 0.00 H new ATOM 987 N TRP A 109 -10.221 -5.201 4.813 1.00 0.00 N ATOM 988 CA TRP A 109 -8.844 -5.583 4.508 1.00 0.00 C ATOM 989 C TRP A 109 -8.297 -6.518 5.586 1.00 0.00 C ATOM 990 O TRP A 109 -8.729 -6.472 6.741 1.00 0.00 O ATOM 991 CB TRP A 109 -7.955 -4.344 4.387 1.00 0.00 C ATOM 992 CG TRP A 109 -8.001 -3.699 3.032 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.499 -2.463 2.724 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.523 -4.257 1.803 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.358 -2.218 1.377 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.757 -3.303 0.794 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.918 -5.469 1.458 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.406 -3.523 -0.533 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.571 -5.688 0.137 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.813 -4.717 -0.843 1.00 0.00 C ATOM 0 H TRP A 109 -10.328 -4.256 5.182 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.840 -6.109 3.553 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.259 -3.614 5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.926 -4.623 4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -8.939 -1.779 3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.652 -1.370 0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.725 -6.221 2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.594 -2.778 -1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.106 -6.622 -0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.526 -4.915 -1.865 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.349 -7.368 5.207 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.753 -8.311 6.150 1.00 0.00 C ATOM 1013 C ALA A 110 -5.817 -7.604 7.138 1.00 0.00 C ATOM 1014 O ALA A 110 -5.193 -6.587 6.808 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.030 -9.422 5.402 1.00 0.00 C ATOM 0 H ALA A 110 -6.977 -7.425 4.259 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.557 -8.758 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.591 -10.117 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.739 -9.954 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.242 -8.992 4.784 1.00 0.00 H new ATOM 1021 N SER A 111 -5.748 -8.145 8.357 1.00 0.00 N ATOM 1022 CA SER A 111 -4.919 -7.580 9.430 1.00 0.00 C ATOM 1023 C SER A 111 -3.444 -7.458 9.037 1.00 0.00 C ATOM 1024 O SER A 111 -2.843 -6.396 9.199 1.00 0.00 O ATOM 1025 CB SER A 111 -5.042 -8.434 10.696 1.00 0.00 C ATOM 1026 OG SER A 111 -5.475 -7.653 11.797 1.00 0.00 O ATOM 0 H SER A 111 -6.262 -8.983 8.629 1.00 0.00 H new ATOM 0 HA SER A 111 -5.291 -6.573 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.747 -9.247 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.079 -8.890 10.926 1.00 0.00 H new ATOM 0 HG SER A 111 -5.547 -8.221 12.592 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.857 -8.548 8.541 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.447 -8.544 8.155 1.00 0.00 C ATOM 1034 C ARG A 112 -1.244 -8.940 6.696 1.00 0.00 C ATOM 1035 O ARG A 112 -2.183 -9.344 6.007 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.649 -9.491 9.054 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.217 -10.904 9.135 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.927 -11.148 10.459 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.086 -12.578 10.747 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.977 -13.374 10.160 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -3.774 -12.910 9.216 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.062 -14.640 10.518 1.00 0.00 N ATOM 0 H ARG A 112 -3.333 -9.439 8.398 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.088 -7.522 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.376 -9.544 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.607 -9.070 10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.914 -11.064 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.411 -11.628 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.363 -10.677 11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.907 -10.672 10.437 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.470 -12.992 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.711 -11.933 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.453 -13.528 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.446 -15.007 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.744 -15.252 10.070 1.00 0.00 H new ATOM 1056 N VAL A 113 0.002 -8.824 6.243 1.00 0.00 N ATOM 1057 CA VAL A 113 0.366 -9.167 4.874 1.00 0.00 C ATOM 1058 C VAL A 113 1.558 -10.129 4.849 1.00 0.00 C ATOM 1059 O VAL A 113 2.299 -10.246 5.827 1.00 0.00 O ATOM 1060 CB VAL A 113 0.720 -7.908 4.056 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.531 -8.171 2.577 1.00 0.00 C ATOM 1062 CG2 VAL A 113 -0.114 -6.714 4.498 1.00 0.00 C ATOM 0 H VAL A 113 0.781 -8.492 6.811 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.501 -9.652 4.425 1.00 0.00 H new ATOM 0 HB VAL A 113 1.768 -7.669 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.785 -7.274 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.180 -8.990 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.508 -8.439 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.157 -5.841 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.172 -6.936 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.074 -6.509 5.552 1.00 0.00 H new ATOM 1072 N ASN A 114 1.742 -10.821 3.727 1.00 0.00 N ATOM 1073 CA ASN A 114 2.846 -11.767 3.589 1.00 0.00 C ATOM 1074 C ASN A 114 4.159 -11.051 3.253 1.00 0.00 C ATOM 1075 O ASN A 114 4.346 -10.563 2.136 1.00 0.00 O ATOM 1076 CB ASN A 114 2.521 -12.811 2.516 1.00 0.00 C ATOM 1077 CG ASN A 114 1.630 -13.920 3.037 1.00 0.00 C ATOM 1078 OD1 ASN A 114 0.449 -13.711 3.295 1.00 0.00 O ATOM 1079 ND2 ASN A 114 2.189 -15.109 3.197 1.00 0.00 N ATOM 0 H ASN A 114 1.144 -10.745 2.904 1.00 0.00 H new ATOM 0 HA ASN A 114 2.975 -12.270 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 114 2.032 -12.322 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 114 3.449 -13.241 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.634 -15.891 3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 114 3.175 -15.244 2.971 1.00 0.00 H new ATOM 1086 N TYR A 115 5.067 -11.000 4.228 1.00 0.00 N ATOM 1087 CA TYR A 115 6.375 -10.353 4.046 1.00 0.00 C ATOM 1088 C TYR A 115 7.505 -11.388 3.978 1.00 0.00 C ATOM 1089 O TYR A 115 8.616 -11.074 3.548 1.00 0.00 O ATOM 1090 CB TYR A 115 6.643 -9.352 5.180 1.00 0.00 C ATOM 1091 CG TYR A 115 5.410 -8.599 5.620 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.822 -7.657 4.790 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.825 -8.845 6.854 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.687 -6.978 5.178 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.683 -8.176 7.245 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.120 -7.243 6.402 1.00 0.00 C ATOM 1097 OH TYR A 115 1.970 -6.590 6.768 1.00 0.00 O ATOM 0 H TYR A 115 4.924 -11.399 5.156 1.00 0.00 H new ATOM 0 HA TYR A 115 6.350 -9.816 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.058 -9.886 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.398 -8.638 4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.260 -7.452 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.270 -9.571 7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.245 -6.241 4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.234 -8.382 8.205 1.00 0.00 H new ATOM 0 HH TYR A 115 1.977 -6.433 7.735 1.00 0.00 H new ATOM 1107 N SER A 116 7.215 -12.623 4.394 1.00 0.00 N ATOM 1108 CA SER A 116 8.199 -13.706 4.373 1.00 0.00 C ATOM 1109 C SER A 116 8.570 -14.086 2.939 1.00 0.00 C ATOM 1110 O SER A 116 9.746 -14.250 2.618 1.00 0.00 O ATOM 1111 CB SER A 116 7.651 -14.934 5.113 1.00 0.00 C ATOM 1112 OG SER A 116 6.247 -15.064 4.922 1.00 0.00 O ATOM 0 H SER A 116 6.300 -12.898 4.752 1.00 0.00 H new ATOM 0 HA SER A 116 9.099 -13.353 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.154 -15.832 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.870 -14.848 6.177 1.00 0.00 H new ATOM 0 HG SER A 116 5.923 -15.855 5.402 1.00 0.00 H new ATOM 1118 N HIS A 117 7.556 -14.218 2.081 1.00 0.00 N ATOM 1119 CA HIS A 117 7.773 -14.573 0.677 1.00 0.00 C ATOM 1120 C HIS A 117 8.629 -13.523 -0.033 1.00 0.00 C ATOM 1121 O HIS A 117 9.546 -13.863 -0.784 1.00 0.00 O ATOM 1122 CB HIS A 117 6.432 -14.729 -0.046 1.00 0.00 C ATOM 1123 CG HIS A 117 6.462 -15.722 -1.160 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.563 -17.079 -0.956 1.00 0.00 N ATOM 1125 CD2 HIS A 117 6.388 -15.549 -2.497 1.00 0.00 C ATOM 1126 CE1 HIS A 117 6.550 -17.700 -2.120 1.00 0.00 C ATOM 1127 NE2 HIS A 117 6.441 -16.794 -3.078 1.00 0.00 N ATOM 0 H HIS A 117 6.577 -14.084 2.334 1.00 0.00 H new ATOM 0 HA HIS A 117 8.306 -15.523 0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.673 -15.030 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.129 -13.760 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.303 -14.605 -3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.617 -18.768 -2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.403 -16.987 -4.079 1.00 0.00 H new ATOM 1136 N CYS A 118 8.332 -12.245 0.211 1.00 0.00 N ATOM 1137 CA CYS A 118 9.089 -11.157 -0.402 1.00 0.00 C ATOM 1138 C CYS A 118 10.458 -11.031 0.253 1.00 0.00 C ATOM 1139 O CYS A 118 10.737 -10.062 0.959 1.00 0.00 O ATOM 1140 CB CYS A 118 8.329 -9.836 -0.293 1.00 0.00 C ATOM 1141 SG CYS A 118 7.325 -9.446 -1.758 1.00 0.00 S ATOM 0 H CYS A 118 7.577 -11.941 0.826 1.00 0.00 H new ATOM 0 HA CYS A 118 9.223 -11.389 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 118 7.680 -9.872 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.043 -9.029 -0.128 1.00 0.00 H new ATOM 1146 N GLU A 119 11.299 -12.033 0.024 1.00 0.00 N ATOM 1147 CA GLU A 119 12.642 -12.062 0.594 1.00 0.00 C ATOM 1148 C GLU A 119 13.673 -11.493 -0.380 1.00 0.00 C ATOM 1149 O GLU A 119 13.427 -11.404 -1.586 1.00 0.00 O ATOM 1150 CB GLU A 119 13.018 -13.495 0.982 1.00 0.00 C ATOM 1151 CG GLU A 119 12.751 -14.513 -0.115 1.00 0.00 C ATOM 1152 CD GLU A 119 13.645 -15.729 -0.016 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.553 -16.457 0.992 1.00 0.00 O ATOM 1154 OE2 GLU A 119 14.436 -15.954 -0.957 1.00 0.00 O ATOM 0 H GLU A 119 11.073 -12.841 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 119 12.642 -11.436 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.075 -13.526 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.459 -13.779 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.709 -14.829 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.895 -14.040 -1.086 1.00 0.00 H new ATOM 1161 N PRO A 120 14.853 -11.098 0.139 1.00 0.00 N ATOM 1162 CA PRO A 120 15.929 -10.533 -0.682 1.00 0.00 C ATOM 1163 C PRO A 120 16.400 -11.484 -1.782 1.00 0.00 C ATOM 1164 O PRO A 120 16.034 -12.662 -1.818 1.00 0.00 O ATOM 1165 CB PRO A 120 17.064 -10.285 0.324 1.00 0.00 C ATOM 1166 CG PRO A 120 16.729 -11.120 1.511 1.00 0.00 C ATOM 1167 CD PRO A 120 15.230 -11.173 1.561 1.00 0.00 C ATOM 0 HA PRO A 120 15.597 -9.637 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.030 -10.568 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.129 -9.230 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.153 -12.120 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.136 -10.684 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.873 -12.092 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.815 -10.344 2.134 1.00 0.00 H new ATOM 1175 N ILE A 121 17.237 -10.962 -2.669 1.00 0.00 N ATOM 1176 CA ILE A 121 17.790 -11.757 -3.768 1.00 0.00 C ATOM 1177 C ILE A 121 18.716 -12.858 -3.260 1.00 0.00 C ATOM 1178 O ILE A 121 19.052 -13.796 -3.984 1.00 0.00 O ATOM 1179 CB ILE A 121 18.538 -10.884 -4.797 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.315 -9.744 -4.113 1.00 0.00 C ATOM 1181 CG2 ILE A 121 17.548 -10.338 -5.803 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.536 -8.443 -3.985 1.00 0.00 C ATOM 0 H ILE A 121 17.551 -9.992 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 121 16.937 -12.219 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 121 19.272 -11.503 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.617 -10.072 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.228 -9.553 -4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 121 18.073 -9.720 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 121 17.056 -11.165 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.801 -9.735 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.157 -7.694 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 121 18.256 -8.087 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.636 -8.614 -3.394 1.00 0.00 H new ATOM 1260 N GLU B 230 20.710 -2.039 4.335 1.00 0.00 N ATOM 1261 CA GLU B 230 19.594 -1.117 4.139 1.00 0.00 C ATOM 1262 C GLU B 230 18.357 -1.878 3.663 1.00 0.00 C ATOM 1263 O GLU B 230 17.256 -1.692 4.181 1.00 0.00 O ATOM 1264 CB GLU B 230 19.979 -0.032 3.126 1.00 0.00 C ATOM 1265 CG GLU B 230 20.366 1.295 3.768 1.00 0.00 C ATOM 1266 CD GLU B 230 19.189 2.240 3.908 1.00 0.00 C ATOM 1267 OE1 GLU B 230 18.730 2.823 2.926 1.00 0.00 O ATOM 0 HA GLU B 230 19.361 -0.638 5.090 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.813 -0.390 2.522 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.142 0.133 2.448 1.00 0.00 H new ATOM 0 HG2 GLU B 230 20.795 1.107 4.752 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.141 1.772 3.168 1.00 0.00 H new ATOM 1274 N ALA B 231 18.556 -2.758 2.685 1.00 0.00 N ATOM 1275 CA ALA B 231 17.471 -3.567 2.149 1.00 0.00 C ATOM 1276 C ALA B 231 16.838 -4.444 3.241 1.00 0.00 C ATOM 1277 O ALA B 231 15.661 -4.804 3.155 1.00 0.00 O ATOM 1278 CB ALA B 231 17.985 -4.410 0.991 1.00 0.00 C ATOM 0 H ALA B 231 19.462 -2.927 2.248 1.00 0.00 H new ATOM 0 HA ALA B 231 16.689 -2.904 1.779 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.171 -5.015 0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.370 -3.757 0.208 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.783 -5.063 1.343 1.00 0.00 H new ATOM 1284 N HIS B 232 17.616 -4.763 4.283 1.00 0.00 N ATOM 1285 CA HIS B 232 17.117 -5.568 5.397 1.00 0.00 C ATOM 1286 C HIS B 232 16.140 -4.749 6.238 1.00 0.00 C ATOM 1287 O HIS B 232 15.007 -5.175 6.475 1.00 0.00 O ATOM 1288 CB HIS B 232 18.272 -6.071 6.270 1.00 0.00 C ATOM 1289 CG HIS B 232 17.933 -7.275 7.097 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.732 -7.950 7.005 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.655 -7.927 8.036 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.732 -8.965 7.853 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.888 -8.972 8.490 1.00 0.00 N ATOM 0 H HIS B 232 18.590 -4.475 4.375 1.00 0.00 H new ATOM 0 HA HIS B 232 16.597 -6.434 4.988 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.120 -6.311 5.629 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.590 -5.266 6.932 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.651 -7.673 8.368 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.925 -9.667 7.999 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.167 -9.645 9.204 1.00 0.00 H new ATOM 1302 N LYS B 233 16.579 -3.561 6.664 1.00 0.00 N ATOM 1303 CA LYS B 233 15.731 -2.671 7.453 1.00 0.00 C ATOM 1304 C LYS B 233 14.504 -2.260 6.640 1.00 0.00 C ATOM 1305 O LYS B 233 13.406 -2.127 7.183 1.00 0.00 O ATOM 1306 CB LYS B 233 16.514 -1.433 7.920 1.00 0.00 C ATOM 1307 CG LYS B 233 17.194 -0.667 6.796 1.00 0.00 C ATOM 1308 CD LYS B 233 17.722 0.677 7.276 1.00 0.00 C ATOM 1309 CE LYS B 233 16.941 1.835 6.669 1.00 0.00 C ATOM 1310 NZ LYS B 233 17.487 2.234 5.373 1.00 0.00 N ATOM 0 H LYS B 233 17.513 -3.197 6.475 1.00 0.00 H new ATOM 0 HA LYS B 233 15.399 -3.208 8.341 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.833 -0.761 8.442 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.269 -1.745 8.641 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.016 -1.260 6.396 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.487 -0.511 5.981 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.660 0.726 8.363 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.776 0.770 7.012 1.00 0.00 H new ATOM 0 HE2 LYS B 233 15.896 1.547 6.551 1.00 0.00 H new ATOM 0 HE3 LYS B 233 16.962 2.685 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 16.768 2.765 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 18.323 2.835 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.759 1.386 4.835 1.00 0.00 H new ATOM 1322 N ASN B 234 14.692 -2.089 5.326 1.00 0.00 N ATOM 1323 CA ASN B 234 13.592 -1.730 4.437 1.00 0.00 C ATOM 1324 C ASN B 234 12.541 -2.836 4.442 1.00 0.00 C ATOM 1325 O ASN B 234 11.370 -2.582 4.731 1.00 0.00 O ATOM 1326 CB ASN B 234 14.112 -1.480 3.022 1.00 0.00 C ATOM 1327 CG ASN B 234 14.704 -0.094 2.871 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.813 0.062 2.376 1.00 0.00 O ATOM 1329 ND2 ASN B 234 13.968 0.924 3.300 1.00 0.00 N ATOM 0 H ASN B 234 15.594 -2.194 4.861 1.00 0.00 H new ATOM 0 HA ASN B 234 13.130 -0.810 4.794 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.868 -2.226 2.777 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.297 -1.606 2.309 1.00 0.00 H new ATOM 0 HD21 ASN B 234 14.322 1.877 3.223 1.00 0.00 H new ATOM 0 HD22 ASN B 234 13.048 0.753 3.707 1.00 0.00 H new ATOM 1336 N ARG B 235 12.968 -4.073 4.168 1.00 0.00 N ATOM 1337 CA ARG B 235 12.050 -5.209 4.197 1.00 0.00 C ATOM 1338 C ARG B 235 11.517 -5.394 5.618 1.00 0.00 C ATOM 1339 O ARG B 235 10.358 -5.743 5.817 1.00 0.00 O ATOM 1340 CB ARG B 235 12.740 -6.485 3.712 1.00 0.00 C ATOM 1341 CG ARG B 235 12.213 -6.982 2.379 1.00 0.00 C ATOM 1342 CD ARG B 235 13.001 -8.180 1.886 1.00 0.00 C ATOM 1343 NE ARG B 235 14.091 -7.788 0.990 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.353 -7.610 1.355 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.725 -7.752 2.614 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.246 -7.281 0.446 1.00 0.00 N ATOM 0 H ARG B 235 13.931 -4.308 3.927 1.00 0.00 H new ATOM 0 HA ARG B 235 11.218 -5.007 3.523 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.811 -6.300 3.626 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.611 -7.267 4.460 1.00 0.00 H new ATOM 0 HG2 ARG B 235 11.162 -7.252 2.479 1.00 0.00 H new ATOM 0 HG3 ARG B 235 12.267 -6.180 1.642 1.00 0.00 H new ATOM 0 HD2 ARG B 235 13.410 -8.721 2.739 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.332 -8.865 1.365 1.00 0.00 H new ATOM 0 HE ARG B 235 13.861 -7.640 0.007 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.037 -8.003 3.324 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.701 -7.611 2.877 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.964 -7.166 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.220 -7.141 0.715 1.00 0.00 H new ATOM 1360 N LYS B 236 12.373 -5.120 6.608 1.00 0.00 N ATOM 1361 CA LYS B 236 11.975 -5.215 8.010 1.00 0.00 C ATOM 1362 C LYS B 236 10.754 -4.339 8.263 1.00 0.00 C ATOM 1363 O LYS B 236 9.816 -4.754 8.941 1.00 0.00 O ATOM 1364 CB LYS B 236 13.133 -4.798 8.924 1.00 0.00 C ATOM 1365 CG LYS B 236 13.913 -5.972 9.484 1.00 0.00 C ATOM 1366 CD LYS B 236 13.032 -6.826 10.376 1.00 0.00 C ATOM 1367 CE LYS B 236 13.636 -8.188 10.644 1.00 0.00 C ATOM 1368 NZ LYS B 236 12.587 -9.162 11.063 1.00 0.00 N ATOM 0 H LYS B 236 13.341 -4.832 6.462 1.00 0.00 H new ATOM 0 HA LYS B 236 11.718 -6.250 8.234 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.812 -4.153 8.366 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.739 -4.206 9.750 1.00 0.00 H new ATOM 0 HG2 LYS B 236 14.306 -6.577 8.667 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.769 -5.608 10.052 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.869 -6.311 11.322 1.00 0.00 H new ATOM 0 HD3 LYS B 236 12.056 -6.950 9.908 1.00 0.00 H new ATOM 0 HE2 LYS B 236 14.137 -8.551 9.747 1.00 0.00 H new ATOM 0 HE3 LYS B 236 14.395 -8.107 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 12.979 -9.809 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 11.778 -8.648 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 12.271 -9.709 10.237 1.00 0.00 H new ATOM 1382 N LEU B 237 10.759 -3.142 7.675 1.00 0.00 N ATOM 1383 CA LEU B 237 9.635 -2.211 7.797 1.00 0.00 C ATOM 1384 C LEU B 237 8.305 -2.898 7.441 1.00 0.00 C ATOM 1385 O LEU B 237 7.236 -2.450 7.864 1.00 0.00 O ATOM 1386 CB LEU B 237 9.867 -0.989 6.894 1.00 0.00 C ATOM 1387 CG LEU B 237 9.619 0.366 7.559 1.00 0.00 C ATOM 1388 CD1 LEU B 237 10.479 1.443 6.918 1.00 0.00 C ATOM 1389 CD2 LEU B 237 8.150 0.739 7.471 1.00 0.00 C ATOM 0 H LEU B 237 11.531 -2.793 7.108 1.00 0.00 H new ATOM 0 HA LEU B 237 9.573 -1.881 8.834 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.894 -1.015 6.530 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.218 -1.073 6.022 1.00 0.00 H new ATOM 0 HG LEU B 237 9.895 0.287 8.611 1.00 0.00 H new ATOM 0 HD11 LEU B 237 10.288 2.399 7.405 1.00 0.00 H new ATOM 0 HD12 LEU B 237 11.532 1.183 7.030 1.00 0.00 H new ATOM 0 HD13 LEU B 237 10.235 1.521 5.858 1.00 0.00 H new ATOM 0 HD21 LEU B 237 7.991 1.706 7.949 1.00 0.00 H new ATOM 0 HD22 LEU B 237 7.852 0.798 6.424 1.00 0.00 H new ATOM 0 HD23 LEU B 237 7.551 -0.019 7.977 1.00 0.00 H new ATOM 1420 N GLU B 239 7.235 -5.806 8.494 1.00 0.00 N ATOM 1421 CA GLU B 239 6.644 -6.370 9.708 1.00 0.00 C ATOM 1422 C GLU B 239 5.861 -5.297 10.480 1.00 0.00 C ATOM 1423 O GLU B 239 4.967 -5.618 11.267 1.00 0.00 O ATOM 1424 CB GLU B 239 7.717 -7.041 10.588 1.00 0.00 C ATOM 1425 CG GLU B 239 8.553 -6.084 11.433 1.00 0.00 C ATOM 1426 CD GLU B 239 9.701 -6.781 12.158 1.00 0.00 C ATOM 1427 OE1 GLU B 239 10.431 -7.583 11.519 1.00 0.00 O ATOM 1428 OE2 GLU B 239 9.875 -6.525 13.366 1.00 0.00 O ATOM 0 HA GLU B 239 5.937 -7.147 9.416 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.227 -7.753 11.252 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.386 -7.613 9.945 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.957 -5.300 10.793 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.909 -5.597 12.166 1.00 0.00 H new ATOM 1435 N ILE B 240 6.173 -4.020 10.215 1.00 0.00 N ATOM 1436 CA ILE B 240 5.468 -2.903 10.854 1.00 0.00 C ATOM 1437 C ILE B 240 4.021 -2.814 10.355 1.00 0.00 C ATOM 1438 O ILE B 240 3.141 -2.320 11.060 1.00 0.00 O ATOM 1439 CB ILE B 240 6.140 -1.540 10.565 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.577 -1.497 11.071 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.335 -0.411 11.194 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.285 -0.210 10.698 1.00 0.00 C ATOM 0 H ILE B 240 6.906 -3.737 9.565 1.00 0.00 H new ATOM 0 HA ILE B 240 5.501 -3.104 11.925 1.00 0.00 H new ATOM 0 HB ILE B 240 6.164 -1.411 9.483 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.581 -1.609 12.155 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.129 -2.343 10.661 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.819 0.542 10.983 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.328 -0.407 10.778 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.281 -0.560 12.272 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.305 -0.231 11.082 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.308 -0.109 9.613 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.752 0.637 11.130 1.00 0.00 H new ATOM 1454 N ILE B 241 3.784 -3.274 9.127 1.00 0.00 N ATOM 1455 CA ILE B 241 2.448 -3.220 8.539 1.00 0.00 C ATOM 1456 C ILE B 241 1.512 -4.241 9.195 1.00 0.00 C ATOM 1457 O ILE B 241 1.086 -5.220 8.579 1.00 0.00 O ATOM 1458 CB ILE B 241 2.481 -3.435 6.999 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.715 -2.778 6.365 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.219 -2.879 6.359 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.951 -1.349 6.807 1.00 0.00 C ATOM 0 H ILE B 241 4.496 -3.686 8.524 1.00 0.00 H new ATOM 0 HA ILE B 241 2.061 -2.219 8.729 1.00 0.00 H new ATOM 0 HB ILE B 241 2.536 -4.509 6.819 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.595 -3.372 6.609 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.607 -2.798 5.281 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.258 -3.037 5.281 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.348 -3.389 6.770 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.146 -1.811 6.567 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.841 -0.958 6.314 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.089 -0.738 6.538 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.093 -1.321 7.887 1.00 0.00 H new