USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 66 GLN : amide:sc=0.000475 X(o=0.00074,f=-0.27) USER MOD Set 1.2: A 115 TYR OH : rot -137:sc=0.000264 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -134:sc= -0.557 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.33 USER MOD Single : A 69 THR OG1 : rot -168:sc= 0.176 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.867 USER MOD Single : A 73 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.48) USER MOD Single : A 74 SER OG : rot -160:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.78) USER MOD Single : A 92 LYS NZ :NH3+ -144:sc= 0.789 (180deg=-1.56!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.2 K(o=-1.2,f=-13!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 98 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.38) USER MOD Single : A 100 TYR OH : rot -109:sc= 1.08 USER MOD Single : A 106 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0.0979 K(o=0.098,f=-7.6!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.250 -2.501 -1.306 1.00 0.00 N ATOM 230 CA TYR A 59 -13.810 -2.548 -1.573 1.00 0.00 C ATOM 231 C TYR A 59 -13.020 -1.731 -0.544 1.00 0.00 C ATOM 232 O TYR A 59 -13.583 -1.225 0.427 1.00 0.00 O ATOM 233 CB TYR A 59 -13.516 -2.035 -2.989 1.00 0.00 C ATOM 234 CG TYR A 59 -14.276 -0.777 -3.368 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.478 0.249 -2.448 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.795 -0.622 -4.645 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.173 1.391 -2.798 1.00 0.00 C ATOM 238 CE2 TYR A 59 -15.492 0.518 -4.997 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.678 1.519 -4.070 1.00 0.00 C ATOM 240 OH TYR A 59 -16.377 2.649 -4.416 1.00 0.00 O ATOM 0 HA TYR A 59 -13.491 -3.587 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.447 -1.840 -3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.757 -2.821 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.086 0.151 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.652 -1.405 -5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.319 2.180 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.889 0.624 -5.996 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.664 2.583 -5.351 1.00 0.00 H new ATOM 250 N CYS A 60 -11.711 -1.611 -0.770 1.00 0.00 N ATOM 251 CA CYS A 60 -10.831 -0.857 0.132 1.00 0.00 C ATOM 252 C CYS A 60 -11.096 0.651 0.050 1.00 0.00 C ATOM 253 O CYS A 60 -11.946 1.104 -0.714 1.00 0.00 O ATOM 254 CB CYS A 60 -9.361 -1.159 -0.181 1.00 0.00 C ATOM 255 SG CYS A 60 -8.902 -2.894 0.082 1.00 0.00 S ATOM 0 H CYS A 60 -11.234 -2.026 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.049 -1.176 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.157 -0.891 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.729 -0.526 0.442 1.00 0.00 H new ATOM 260 N ASN A 61 -10.373 1.419 0.867 1.00 0.00 N ATOM 261 CA ASN A 61 -10.541 2.875 0.925 1.00 0.00 C ATOM 262 C ASN A 61 -9.495 3.649 0.111 1.00 0.00 C ATOM 263 O ASN A 61 -9.178 4.785 0.456 1.00 0.00 O ATOM 264 CB ASN A 61 -10.466 3.312 2.380 1.00 0.00 C ATOM 265 CG ASN A 61 -11.708 4.046 2.839 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.583 3.467 3.474 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.792 5.327 2.521 1.00 0.00 N ATOM 0 H ASN A 61 -9.662 1.056 1.501 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.510 3.105 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.314 2.436 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.598 3.957 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.607 5.871 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.042 5.771 1.991 1.00 0.00 H new ATOM 274 N THR A 62 -8.993 3.042 -0.965 1.00 0.00 N ATOM 275 CA THR A 62 -7.999 3.667 -1.853 1.00 0.00 C ATOM 276 C THR A 62 -7.196 4.780 -1.164 1.00 0.00 C ATOM 277 O THR A 62 -7.588 5.949 -1.183 1.00 0.00 O ATOM 278 CB THR A 62 -8.707 4.210 -3.095 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.299 3.159 -3.844 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.799 4.976 -4.032 1.00 0.00 C ATOM 0 H THR A 62 -9.262 2.100 -1.250 1.00 0.00 H new ATOM 0 HA THR A 62 -7.278 2.899 -2.134 1.00 0.00 H new ATOM 0 HB THR A 62 -9.459 4.896 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.091 3.277 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.374 5.329 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.370 5.829 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.998 4.323 -4.377 1.00 0.00 H new ATOM 288 N THR A 63 -6.071 4.411 -0.552 1.00 0.00 N ATOM 289 CA THR A 63 -5.231 5.389 0.149 1.00 0.00 C ATOM 290 C THR A 63 -3.737 5.196 -0.127 1.00 0.00 C ATOM 291 O THR A 63 -3.338 4.436 -1.010 1.00 0.00 O ATOM 292 CB THR A 63 -5.481 5.300 1.658 1.00 0.00 C ATOM 293 OG1 THR A 63 -4.814 6.353 2.334 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.006 4.000 2.274 1.00 0.00 C ATOM 0 H THR A 63 -5.721 3.453 -0.525 1.00 0.00 H new ATOM 0 HA THR A 63 -5.509 6.373 -0.229 1.00 0.00 H new ATOM 0 HB THR A 63 -6.563 5.366 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.985 6.284 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.215 4.007 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.528 3.164 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.933 3.892 2.115 1.00 0.00 H new ATOM 302 N LEU A 64 -2.927 5.895 0.661 1.00 0.00 N ATOM 303 CA LEU A 64 -1.475 5.838 0.570 1.00 0.00 C ATOM 304 C LEU A 64 -0.884 5.871 1.982 1.00 0.00 C ATOM 305 O LEU A 64 -1.409 6.558 2.859 1.00 0.00 O ATOM 306 CB LEU A 64 -0.966 7.008 -0.272 1.00 0.00 C ATOM 307 CG LEU A 64 0.553 7.093 -0.440 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.915 7.374 -1.889 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.129 8.169 0.467 1.00 0.00 C ATOM 0 H LEU A 64 -3.266 6.524 1.389 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.163 4.913 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.420 6.944 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.316 7.936 0.180 1.00 0.00 H new ATOM 0 HG LEU A 64 0.984 6.133 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.999 7.431 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.534 6.572 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.472 8.321 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.210 8.216 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.690 9.133 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.901 7.930 1.506 1.00 0.00 H new ATOM 321 N ASP A 65 0.180 5.111 2.209 1.00 0.00 N ATOM 322 CA ASP A 65 0.801 5.048 3.534 1.00 0.00 C ATOM 323 C ASP A 65 2.117 5.839 3.593 1.00 0.00 C ATOM 324 O ASP A 65 2.449 6.575 2.664 1.00 0.00 O ATOM 325 CB ASP A 65 1.027 3.584 3.928 1.00 0.00 C ATOM 326 CG ASP A 65 0.897 3.357 5.417 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.232 3.093 5.883 1.00 0.00 O ATOM 328 OD2 ASP A 65 1.921 3.457 6.118 1.00 0.00 O ATOM 0 H ASP A 65 0.631 4.532 1.501 1.00 0.00 H new ATOM 0 HA ASP A 65 0.121 5.514 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.307 2.955 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.019 3.273 3.602 1.00 0.00 H new ATOM 333 N GLN A 66 2.854 5.681 4.702 1.00 0.00 N ATOM 334 CA GLN A 66 4.133 6.372 4.905 1.00 0.00 C ATOM 335 C GLN A 66 4.993 6.332 3.644 1.00 0.00 C ATOM 336 O GLN A 66 5.437 7.369 3.146 1.00 0.00 O ATOM 337 CB GLN A 66 4.896 5.727 6.068 1.00 0.00 C ATOM 338 CG GLN A 66 4.744 6.459 7.392 1.00 0.00 C ATOM 339 CD GLN A 66 5.621 5.869 8.480 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.296 4.836 9.060 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.738 6.521 8.764 1.00 0.00 N ATOM 0 H GLN A 66 2.582 5.076 5.477 1.00 0.00 H new ATOM 0 HA GLN A 66 3.918 7.415 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.550 4.701 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.954 5.678 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.997 7.510 7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.702 6.421 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.972 7.376 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.364 6.168 9.488 1.00 0.00 H new ATOM 350 N ILE A 67 5.222 5.125 3.134 1.00 0.00 N ATOM 351 CA ILE A 67 6.022 4.936 1.934 1.00 0.00 C ATOM 352 C ILE A 67 5.225 5.306 0.683 1.00 0.00 C ATOM 353 O ILE A 67 3.991 5.230 0.677 1.00 0.00 O ATOM 354 CB ILE A 67 6.520 3.479 1.816 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.343 2.515 1.659 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.351 3.103 3.034 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.755 1.120 1.240 1.00 0.00 C ATOM 0 H ILE A 67 4.861 4.261 3.538 1.00 0.00 H new ATOM 0 HA ILE A 67 6.886 5.595 2.014 1.00 0.00 H new ATOM 0 HB ILE A 67 7.147 3.403 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.803 2.457 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.650 2.918 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.695 2.073 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.212 3.768 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.742 3.198 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.869 0.491 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.269 1.165 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.424 0.698 1.990 1.00 0.00 H new ATOM 369 N GLY A 68 5.932 5.701 -0.379 1.00 0.00 N ATOM 370 CA GLY A 68 5.275 6.075 -1.626 1.00 0.00 C ATOM 371 C GLY A 68 4.553 4.911 -2.282 1.00 0.00 C ATOM 372 O GLY A 68 4.916 4.482 -3.376 1.00 0.00 O ATOM 0 H GLY A 68 6.950 5.769 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.561 6.875 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.018 6.473 -2.318 1.00 0.00 H new ATOM 376 N THR A 69 3.530 4.399 -1.605 1.00 0.00 N ATOM 377 CA THR A 69 2.755 3.273 -2.113 1.00 0.00 C ATOM 378 C THR A 69 1.250 3.546 -2.006 1.00 0.00 C ATOM 379 O THR A 69 0.752 3.957 -0.954 1.00 0.00 O ATOM 380 CB THR A 69 3.149 1.995 -1.358 1.00 0.00 C ATOM 381 OG1 THR A 69 3.334 0.916 -2.258 1.00 0.00 O ATOM 382 CG2 THR A 69 2.144 1.551 -0.321 1.00 0.00 C ATOM 0 H THR A 69 3.218 4.748 -0.699 1.00 0.00 H new ATOM 0 HA THR A 69 2.980 3.136 -3.171 1.00 0.00 H new ATOM 0 HB THR A 69 4.074 2.256 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.396 0.077 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.500 0.642 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.020 2.336 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.187 1.354 -0.803 1.00 0.00 H new ATOM 390 N CYS A 70 0.532 3.323 -3.107 1.00 0.00 N ATOM 391 CA CYS A 70 -0.916 3.551 -3.148 1.00 0.00 C ATOM 392 C CYS A 70 -1.692 2.254 -2.926 1.00 0.00 C ATOM 393 O CYS A 70 -1.389 1.225 -3.533 1.00 0.00 O ATOM 394 CB CYS A 70 -1.326 4.166 -4.489 1.00 0.00 C ATOM 395 SG CYS A 70 -0.951 5.943 -4.651 1.00 0.00 S ATOM 0 H CYS A 70 0.928 2.984 -3.984 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.159 4.243 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.822 3.627 -5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.397 4.019 -4.630 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.335 6.363 -5.820 1.00 0.00 H new ATOM 400 N TRP A 71 -2.701 2.319 -2.062 1.00 0.00 N ATOM 401 CA TRP A 71 -3.540 1.164 -1.751 1.00 0.00 C ATOM 402 C TRP A 71 -4.986 1.406 -2.198 1.00 0.00 C ATOM 403 O TRP A 71 -5.845 1.754 -1.380 1.00 0.00 O ATOM 404 CB TRP A 71 -3.502 0.879 -0.247 1.00 0.00 C ATOM 405 CG TRP A 71 -2.122 0.707 0.299 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.421 1.602 1.054 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.276 -0.435 0.136 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.189 1.084 1.373 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.076 -0.166 0.816 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.419 -1.659 -0.523 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.975 -1.076 0.856 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.374 -2.563 -0.483 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.811 -2.267 0.203 1.00 0.00 C ATOM 0 H TRP A 71 -2.960 3.168 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.150 0.301 -2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.992 1.697 0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.079 -0.023 -0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.781 2.574 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.525 1.551 1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.330 -1.894 -1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.889 -0.850 1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.473 -3.512 -0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.611 -2.993 0.217 1.00 0.00 H new ATOM 424 N PRO A 72 -5.274 1.241 -3.509 1.00 0.00 N ATOM 425 CA PRO A 72 -6.622 1.455 -4.060 1.00 0.00 C ATOM 426 C PRO A 72 -7.632 0.385 -3.649 1.00 0.00 C ATOM 427 O PRO A 72 -7.308 -0.551 -2.916 1.00 0.00 O ATOM 428 CB PRO A 72 -6.402 1.422 -5.566 1.00 0.00 C ATOM 429 CG PRO A 72 -5.168 0.612 -5.763 1.00 0.00 C ATOM 430 CD PRO A 72 -4.308 0.846 -4.551 1.00 0.00 C ATOM 0 HA PRO A 72 -7.050 2.386 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.253 0.974 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.281 2.428 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.410 -0.445 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.647 0.912 -6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.760 -0.053 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.569 1.627 -4.729 1.00 0.00 H new ATOM 438 N GLN A 73 -8.863 0.541 -4.130 1.00 0.00 N ATOM 439 CA GLN A 73 -9.941 -0.398 -3.829 1.00 0.00 C ATOM 440 C GLN A 73 -9.554 -1.832 -4.229 1.00 0.00 C ATOM 441 O GLN A 73 -9.404 -2.145 -5.411 1.00 0.00 O ATOM 442 CB GLN A 73 -11.234 0.051 -4.535 1.00 0.00 C ATOM 443 CG GLN A 73 -11.351 -0.402 -5.984 1.00 0.00 C ATOM 444 CD GLN A 73 -12.374 0.390 -6.775 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.305 -0.175 -7.339 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.205 1.705 -6.828 1.00 0.00 N ATOM 0 H GLN A 73 -9.140 1.315 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.115 -0.400 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.089 -0.331 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.292 1.139 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.378 -0.311 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.621 -1.458 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.418 2.138 -6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.862 2.283 -7.351 1.00 0.00 H new ATOM 455 N SER A 74 -9.373 -2.691 -3.230 1.00 0.00 N ATOM 456 CA SER A 74 -8.989 -4.083 -3.461 1.00 0.00 C ATOM 457 C SER A 74 -10.185 -5.014 -3.265 1.00 0.00 C ATOM 458 O SER A 74 -10.758 -5.511 -4.233 1.00 0.00 O ATOM 459 CB SER A 74 -7.846 -4.480 -2.517 1.00 0.00 C ATOM 460 OG SER A 74 -7.206 -5.664 -2.958 1.00 0.00 O ATOM 0 H SER A 74 -9.487 -2.447 -2.246 1.00 0.00 H new ATOM 0 HA SER A 74 -8.646 -4.179 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.119 -3.670 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.237 -4.628 -1.510 1.00 0.00 H new ATOM 0 HG SER A 74 -6.717 -6.069 -2.212 1.00 0.00 H new ATOM 466 N ALA A 75 -10.549 -5.237 -2.001 1.00 0.00 N ATOM 467 CA ALA A 75 -11.671 -6.104 -1.645 1.00 0.00 C ATOM 468 C ALA A 75 -11.752 -6.273 -0.125 1.00 0.00 C ATOM 469 O ALA A 75 -10.765 -6.052 0.582 1.00 0.00 O ATOM 470 CB ALA A 75 -11.533 -7.462 -2.323 1.00 0.00 C ATOM 0 H ALA A 75 -10.075 -4.823 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.592 -5.637 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.377 -8.094 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.518 -7.329 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.605 -7.936 -2.003 1.00 0.00 H new ATOM 476 N PRO A 76 -12.926 -6.669 0.400 1.00 0.00 N ATOM 477 CA PRO A 76 -13.114 -6.869 1.842 1.00 0.00 C ATOM 478 C PRO A 76 -12.380 -8.112 2.356 1.00 0.00 C ATOM 479 O PRO A 76 -12.774 -9.243 2.061 1.00 0.00 O ATOM 480 CB PRO A 76 -14.631 -7.034 1.978 1.00 0.00 C ATOM 481 CG PRO A 76 -15.068 -7.574 0.660 1.00 0.00 C ATOM 482 CD PRO A 76 -14.156 -6.957 -0.365 1.00 0.00 C ATOM 0 HA PRO A 76 -12.710 -6.045 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.885 -7.716 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.116 -6.083 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.997 -8.662 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.109 -7.319 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.963 -7.639 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.586 -6.050 -0.791 1.00 0.00 H new ATOM 490 N GLY A 77 -11.309 -7.895 3.120 1.00 0.00 N ATOM 491 CA GLY A 77 -10.535 -9.005 3.659 1.00 0.00 C ATOM 492 C GLY A 77 -9.507 -9.529 2.673 1.00 0.00 C ATOM 493 O GLY A 77 -9.728 -10.554 2.032 1.00 0.00 O ATOM 0 H GLY A 77 -10.963 -6.970 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.029 -8.683 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.211 -9.813 3.938 1.00 0.00 H new ATOM 497 N ALA A 78 -8.380 -8.824 2.544 1.00 0.00 N ATOM 498 CA ALA A 78 -7.327 -9.234 1.615 1.00 0.00 C ATOM 499 C ALA A 78 -6.004 -8.508 1.876 1.00 0.00 C ATOM 500 O ALA A 78 -5.982 -7.311 2.169 1.00 0.00 O ATOM 501 CB ALA A 78 -7.776 -8.994 0.177 1.00 0.00 C ATOM 0 H ALA A 78 -8.175 -7.973 3.067 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.152 -10.298 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.985 -9.302 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.677 -9.574 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.987 -7.934 0.034 1.00 0.00 H new ATOM 507 N LEU A 79 -4.903 -9.241 1.738 1.00 0.00 N ATOM 508 CA LEU A 79 -3.565 -8.679 1.919 1.00 0.00 C ATOM 509 C LEU A 79 -2.952 -8.352 0.558 1.00 0.00 C ATOM 510 O LEU A 79 -2.883 -9.213 -0.323 1.00 0.00 O ATOM 511 CB LEU A 79 -2.664 -9.652 2.690 1.00 0.00 C ATOM 512 CG LEU A 79 -1.262 -9.124 3.021 1.00 0.00 C ATOM 513 CD1 LEU A 79 -0.733 -9.776 4.286 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.309 -9.374 1.863 1.00 0.00 C ATOM 0 H LEU A 79 -4.910 -10.233 1.500 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.649 -7.762 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.162 -9.922 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.561 -10.567 2.106 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.332 -8.049 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.262 -9.390 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.401 -9.552 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.680 -10.855 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.680 -8.993 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.246 -10.445 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.677 -8.864 0.973 1.00 0.00 H new ATOM 526 N VAL A 80 -2.520 -7.107 0.386 1.00 0.00 N ATOM 527 CA VAL A 80 -1.927 -6.673 -0.878 1.00 0.00 C ATOM 528 C VAL A 80 -0.434 -6.381 -0.730 1.00 0.00 C ATOM 529 O VAL A 80 -0.013 -5.691 0.203 1.00 0.00 O ATOM 530 CB VAL A 80 -2.644 -5.423 -1.429 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.111 -5.059 -2.807 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.148 -5.651 -1.481 1.00 0.00 C ATOM 0 H VAL A 80 -2.568 -6.382 1.102 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.051 -7.495 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.444 -4.590 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.631 -4.175 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.043 -4.851 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.277 -5.890 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.638 -4.759 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.365 -6.499 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.519 -5.858 -0.477 1.00 0.00 H new ATOM 542 N GLU A 81 0.356 -6.912 -1.662 1.00 0.00 N ATOM 543 CA GLU A 81 1.806 -6.718 -1.654 1.00 0.00 C ATOM 544 C GLU A 81 2.232 -5.679 -2.694 1.00 0.00 C ATOM 545 O GLU A 81 1.743 -5.681 -3.824 1.00 0.00 O ATOM 546 CB GLU A 81 2.514 -8.048 -1.924 1.00 0.00 C ATOM 547 CG GLU A 81 3.833 -8.200 -1.177 1.00 0.00 C ATOM 548 CD GLU A 81 4.470 -9.569 -1.361 1.00 0.00 C ATOM 549 OE1 GLU A 81 3.725 -10.567 -1.448 1.00 0.00 O ATOM 550 OE2 GLU A 81 5.717 -9.641 -1.402 1.00 0.00 O ATOM 0 H GLU A 81 0.015 -7.482 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 81 2.092 -6.349 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.851 -8.866 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.699 -8.141 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.528 -7.434 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.664 -8.025 -0.115 1.00 0.00 H new ATOM 557 N ARG A 82 3.145 -4.792 -2.303 1.00 0.00 N ATOM 558 CA ARG A 82 3.640 -3.748 -3.204 1.00 0.00 C ATOM 559 C ARG A 82 5.147 -3.544 -3.036 1.00 0.00 C ATOM 560 O ARG A 82 5.701 -3.833 -1.976 1.00 0.00 O ATOM 561 CB ARG A 82 2.902 -2.434 -2.944 1.00 0.00 C ATOM 562 CG ARG A 82 1.409 -2.505 -3.230 1.00 0.00 C ATOM 563 CD ARG A 82 0.758 -1.125 -3.228 1.00 0.00 C ATOM 564 NE ARG A 82 1.697 -0.070 -3.629 1.00 0.00 N ATOM 565 CZ ARG A 82 1.787 0.454 -4.841 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.967 0.089 -5.810 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.710 1.363 -5.076 1.00 0.00 N ATOM 0 H ARG A 82 3.558 -4.774 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 82 3.452 -4.069 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.050 -2.144 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.344 -1.651 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.248 -2.980 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.927 -3.134 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.096 -1.127 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.373 -0.908 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 82 2.332 0.288 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.246 -0.610 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.055 0.506 -6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.342 1.653 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.793 1.777 -6.004 1.00 0.00 H new ATOM 581 N PRO A 83 5.835 -3.036 -4.079 1.00 0.00 N ATOM 582 CA PRO A 83 7.284 -2.791 -4.033 1.00 0.00 C ATOM 583 C PRO A 83 7.706 -1.988 -2.799 1.00 0.00 C ATOM 584 O PRO A 83 7.148 -0.924 -2.516 1.00 0.00 O ATOM 585 CB PRO A 83 7.565 -1.991 -5.318 1.00 0.00 C ATOM 586 CG PRO A 83 6.224 -1.597 -5.849 1.00 0.00 C ATOM 587 CD PRO A 83 5.266 -2.652 -5.377 1.00 0.00 C ATOM 0 HA PRO A 83 7.845 -3.724 -3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.176 -1.113 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.112 -2.594 -6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.933 -0.613 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.237 -1.540 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.252 -2.265 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.219 -3.496 -6.066 1.00 0.00 H new ATOM 595 N CYS A 84 8.698 -2.506 -2.070 1.00 0.00 N ATOM 596 CA CYS A 84 9.203 -1.840 -0.865 1.00 0.00 C ATOM 597 C CYS A 84 9.937 -0.546 -1.223 1.00 0.00 C ATOM 598 O CYS A 84 10.338 -0.348 -2.373 1.00 0.00 O ATOM 599 CB CYS A 84 10.133 -2.784 -0.082 1.00 0.00 C ATOM 600 SG CYS A 84 11.777 -2.094 0.320 1.00 0.00 S ATOM 0 H CYS A 84 9.168 -3.384 -2.292 1.00 0.00 H new ATOM 0 HA CYS A 84 8.351 -1.585 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.638 -3.068 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.271 -3.697 -0.662 1.00 0.00 H new ATOM 605 N PRO A 85 10.120 0.364 -0.242 1.00 0.00 N ATOM 606 CA PRO A 85 10.809 1.649 -0.461 1.00 0.00 C ATOM 607 C PRO A 85 12.275 1.477 -0.891 1.00 0.00 C ATOM 608 O PRO A 85 13.201 1.808 -0.145 1.00 0.00 O ATOM 609 CB PRO A 85 10.717 2.342 0.908 1.00 0.00 C ATOM 610 CG PRO A 85 10.477 1.244 1.884 1.00 0.00 C ATOM 611 CD PRO A 85 9.662 0.218 1.154 1.00 0.00 C ATOM 0 HA PRO A 85 10.354 2.218 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.636 2.881 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.906 3.071 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.418 0.819 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.947 1.611 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.843 -0.787 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.593 0.408 1.250 1.00 0.00 H new ATOM 619 N GLU A 86 12.479 0.958 -2.104 1.00 0.00 N ATOM 620 CA GLU A 86 13.828 0.746 -2.637 1.00 0.00 C ATOM 621 C GLU A 86 14.547 2.074 -2.902 1.00 0.00 C ATOM 622 O GLU A 86 15.777 2.124 -2.938 1.00 0.00 O ATOM 623 CB GLU A 86 13.788 -0.092 -3.912 1.00 0.00 C ATOM 624 CG GLU A 86 12.814 0.417 -4.950 1.00 0.00 C ATOM 625 CD GLU A 86 13.048 -0.190 -6.318 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.122 0.073 -6.904 1.00 0.00 O ATOM 627 OE2 GLU A 86 12.168 -0.928 -6.800 1.00 0.00 O ATOM 0 H GLU A 86 11.729 0.677 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 86 14.390 0.202 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.787 -0.120 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.525 -1.117 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.797 0.195 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.897 1.502 -5.019 1.00 0.00 H new ATOM 634 N TYR A 87 13.778 3.152 -3.084 1.00 0.00 N ATOM 635 CA TYR A 87 14.352 4.474 -3.333 1.00 0.00 C ATOM 636 C TYR A 87 14.305 5.343 -2.068 1.00 0.00 C ATOM 637 O TYR A 87 14.009 6.538 -2.128 1.00 0.00 O ATOM 638 CB TYR A 87 13.609 5.162 -4.489 1.00 0.00 C ATOM 639 CG TYR A 87 14.275 6.430 -4.977 1.00 0.00 C ATOM 640 CD1 TYR A 87 15.646 6.478 -5.204 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.532 7.583 -5.209 1.00 0.00 C ATOM 642 CE1 TYR A 87 16.256 7.636 -5.647 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.137 8.744 -5.652 1.00 0.00 C ATOM 644 CZ TYR A 87 15.497 8.765 -5.869 1.00 0.00 C ATOM 645 OH TYR A 87 16.101 9.919 -6.311 1.00 0.00 O ATOM 0 H TYR A 87 12.758 3.133 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 87 15.398 4.347 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.526 4.463 -5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.594 5.397 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.244 5.595 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.465 7.571 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.322 7.656 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.546 9.631 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 87 15.426 10.621 -6.419 1.00 0.00 H new ATOM 655 N PHE A 88 14.604 4.736 -0.920 1.00 0.00 N ATOM 656 CA PHE A 88 14.600 5.454 0.354 1.00 0.00 C ATOM 657 C PHE A 88 16.023 5.642 0.877 1.00 0.00 C ATOM 658 O PHE A 88 16.904 4.833 0.586 1.00 0.00 O ATOM 659 CB PHE A 88 13.745 4.711 1.387 1.00 0.00 C ATOM 660 CG PHE A 88 12.432 5.385 1.672 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.497 5.562 0.665 1.00 0.00 C ATOM 662 CD2 PHE A 88 12.134 5.841 2.944 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.289 6.183 0.922 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.929 6.462 3.208 1.00 0.00 C ATOM 665 CZ PHE A 88 10.005 6.633 2.196 1.00 0.00 C ATOM 0 H PHE A 88 14.852 3.749 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 88 14.165 6.439 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.555 3.699 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.308 4.621 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.715 5.211 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.852 5.710 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.569 6.316 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.709 6.814 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.062 7.118 2.401 1.00 0.00 H new ATOM 675 N ASN A 89 16.238 6.723 1.636 1.00 0.00 N ATOM 676 CA ASN A 89 17.556 7.045 2.190 1.00 0.00 C ATOM 677 C ASN A 89 18.494 7.528 1.093 1.00 0.00 C ATOM 678 O ASN A 89 18.229 7.333 -0.095 1.00 0.00 O ATOM 679 CB ASN A 89 18.180 5.821 2.887 1.00 0.00 C ATOM 680 CG ASN A 89 17.619 5.599 4.277 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.396 6.547 5.024 1.00 0.00 O ATOM 682 ND2 ASN A 89 17.387 4.346 4.634 1.00 0.00 N ATOM 0 H ASN A 89 15.509 7.393 1.881 1.00 0.00 H new ATOM 0 HA ASN A 89 17.417 7.838 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.004 4.932 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.260 5.954 2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.009 4.141 5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.586 3.585 3.984 1.00 0.00 H new ATOM 689 N GLY A 90 19.614 8.119 1.487 1.00 0.00 N ATOM 690 CA GLY A 90 20.595 8.567 0.502 1.00 0.00 C ATOM 691 C GLY A 90 21.336 7.377 -0.080 1.00 0.00 C ATOM 692 O GLY A 90 22.561 7.305 -0.020 1.00 0.00 O ATOM 0 H GLY A 90 19.865 8.298 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.095 9.118 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.303 9.252 0.969 1.00 0.00 H new ATOM 696 N ILE A 91 20.564 6.425 -0.612 1.00 0.00 N ATOM 697 CA ILE A 91 21.099 5.193 -1.177 1.00 0.00 C ATOM 698 C ILE A 91 20.009 4.443 -1.952 1.00 0.00 C ATOM 699 O ILE A 91 18.825 4.751 -1.812 1.00 0.00 O ATOM 700 CB ILE A 91 21.643 4.283 -0.050 1.00 0.00 C ATOM 701 CG1 ILE A 91 22.679 3.320 -0.604 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.512 3.514 0.628 1.00 0.00 C ATOM 703 CD1 ILE A 91 23.233 2.368 0.424 1.00 0.00 C ATOM 0 H ILE A 91 19.547 6.492 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 91 21.910 5.452 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 91 22.117 4.917 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 91 22.231 2.745 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 91 23.500 3.893 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.923 2.882 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.802 4.218 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.003 2.891 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 91 23.966 1.712 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.712 2.934 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.423 1.768 0.839 1.00 0.00 H new ATOM 715 N LYS A 92 20.400 3.462 -2.767 1.00 0.00 N ATOM 716 CA LYS A 92 19.427 2.694 -3.539 1.00 0.00 C ATOM 717 C LYS A 92 19.903 1.263 -3.813 1.00 0.00 C ATOM 718 O LYS A 92 20.672 1.025 -4.744 1.00 0.00 O ATOM 719 CB LYS A 92 19.133 3.413 -4.853 1.00 0.00 C ATOM 720 CG LYS A 92 17.902 2.892 -5.574 1.00 0.00 C ATOM 721 CD LYS A 92 18.220 1.616 -6.340 1.00 0.00 C ATOM 722 CE LYS A 92 17.261 0.491 -5.985 1.00 0.00 C ATOM 723 NZ LYS A 92 16.540 -0.019 -7.188 1.00 0.00 N ATOM 0 H LYS A 92 21.371 3.184 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 92 18.516 2.620 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.003 4.477 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.997 3.316 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.108 2.699 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.530 3.651 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.169 1.813 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.242 1.306 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.813 -0.325 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.538 0.847 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.567 -0.276 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.518 0.720 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.032 -0.857 -7.558 1.00 0.00 H new ATOM 737 N TYR A 93 19.423 0.318 -3.003 1.00 0.00 N ATOM 738 CA TYR A 93 19.774 -1.104 -3.150 1.00 0.00 C ATOM 739 C TYR A 93 18.764 -1.990 -2.405 1.00 0.00 C ATOM 740 O TYR A 93 17.737 -1.505 -1.930 1.00 0.00 O ATOM 741 CB TYR A 93 21.177 -1.391 -2.597 1.00 0.00 C ATOM 742 CG TYR A 93 22.265 -0.459 -3.074 1.00 0.00 C ATOM 743 CD1 TYR A 93 22.894 -0.653 -4.298 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.670 0.608 -2.293 1.00 0.00 C ATOM 745 CE1 TYR A 93 23.897 0.198 -4.724 1.00 0.00 C ATOM 746 CE2 TYR A 93 23.667 1.464 -2.711 1.00 0.00 C ATOM 747 CZ TYR A 93 24.278 1.255 -3.927 1.00 0.00 C ATOM 748 OH TYR A 93 25.274 2.103 -4.348 1.00 0.00 O ATOM 0 H TYR A 93 18.785 0.510 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 93 19.754 -1.332 -4.216 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.136 -1.347 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.453 -2.411 -2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.595 -1.480 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.196 0.774 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.379 0.035 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.967 2.294 -2.088 1.00 0.00 H new ATOM 0 HH TYR A 93 25.422 2.796 -3.671 1.00 0.00 H new ATOM 758 N ASN A 94 19.086 -3.285 -2.291 1.00 0.00 N ATOM 759 CA ASN A 94 18.242 -4.254 -1.579 1.00 0.00 C ATOM 760 C ASN A 94 16.763 -4.132 -1.973 1.00 0.00 C ATOM 761 O ASN A 94 15.937 -3.631 -1.211 1.00 0.00 O ATOM 762 CB ASN A 94 18.429 -4.065 -0.065 1.00 0.00 C ATOM 763 CG ASN A 94 17.575 -5.003 0.770 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.823 -4.568 1.644 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.690 -6.300 0.517 1.00 0.00 N ATOM 0 H ASN A 94 19.934 -3.689 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 94 18.553 -5.259 -1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.478 -4.220 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.188 -3.035 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.145 -6.975 1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.323 -6.623 -0.215 1.00 0.00 H new ATOM 772 N THR A 95 16.439 -4.586 -3.181 1.00 0.00 N ATOM 773 CA THR A 95 15.065 -4.516 -3.690 1.00 0.00 C ATOM 774 C THR A 95 14.281 -5.819 -3.487 1.00 0.00 C ATOM 775 O THR A 95 13.090 -5.874 -3.792 1.00 0.00 O ATOM 776 CB THR A 95 15.072 -4.152 -5.178 1.00 0.00 C ATOM 777 OG1 THR A 95 16.356 -4.358 -5.745 1.00 0.00 O ATOM 778 CG2 THR A 95 14.690 -2.715 -5.437 1.00 0.00 C ATOM 0 H THR A 95 17.106 -5.007 -3.828 1.00 0.00 H new ATOM 0 HA THR A 95 14.560 -3.742 -3.112 1.00 0.00 H new ATOM 0 HB THR A 95 14.329 -4.805 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.336 -4.121 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.714 -2.520 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.685 -2.532 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.395 -2.054 -4.932 1.00 0.00 H new ATOM 786 N THR A 96 14.933 -6.869 -2.979 1.00 0.00 N ATOM 787 CA THR A 96 14.254 -8.154 -2.760 1.00 0.00 C ATOM 788 C THR A 96 13.313 -8.100 -1.548 1.00 0.00 C ATOM 789 O THR A 96 13.521 -8.802 -0.553 1.00 0.00 O ATOM 790 CB THR A 96 15.281 -9.283 -2.586 1.00 0.00 C ATOM 791 OG1 THR A 96 16.473 -8.804 -1.983 1.00 0.00 O ATOM 792 CG2 THR A 96 15.668 -9.942 -3.892 1.00 0.00 C ATOM 0 H THR A 96 15.918 -6.858 -2.714 1.00 0.00 H new ATOM 0 HA THR A 96 13.648 -8.358 -3.643 1.00 0.00 H new ATOM 0 HB THR A 96 14.788 -10.018 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.109 -9.543 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.396 -10.730 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.782 -10.372 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.105 -9.199 -4.559 1.00 0.00 H new ATOM 800 N ARG A 97 12.274 -7.260 -1.637 1.00 0.00 N ATOM 801 CA ARG A 97 11.294 -7.113 -0.550 1.00 0.00 C ATOM 802 C ARG A 97 10.088 -6.274 -0.994 1.00 0.00 C ATOM 803 O ARG A 97 10.186 -5.463 -1.920 1.00 0.00 O ATOM 804 CB ARG A 97 11.937 -6.496 0.700 1.00 0.00 C ATOM 805 CG ARG A 97 13.026 -5.476 0.407 1.00 0.00 C ATOM 806 CD ARG A 97 14.421 -6.074 0.551 1.00 0.00 C ATOM 807 NE ARG A 97 14.746 -6.407 1.943 1.00 0.00 N ATOM 808 CZ ARG A 97 14.640 -7.616 2.486 1.00 0.00 C ATOM 809 NH1 ARG A 97 14.205 -8.647 1.787 1.00 0.00 N ATOM 810 NH2 ARG A 97 14.980 -7.782 3.745 1.00 0.00 N ATOM 0 H ARG A 97 12.089 -6.672 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 97 10.941 -8.113 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.159 -6.018 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.359 -7.295 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.899 -5.091 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.922 -4.630 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.493 -6.973 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.157 -5.368 0.168 1.00 0.00 H new ATOM 0 HE ARG A 97 15.080 -5.651 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.942 -8.526 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.132 -9.565 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.319 -6.990 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.905 -8.703 4.176 1.00 0.00 H new ATOM 824 N ASN A 98 8.947 -6.483 -0.333 1.00 0.00 N ATOM 825 CA ASN A 98 7.715 -5.761 -0.666 1.00 0.00 C ATOM 826 C ASN A 98 6.931 -5.344 0.586 1.00 0.00 C ATOM 827 O ASN A 98 7.251 -5.759 1.704 1.00 0.00 O ATOM 828 CB ASN A 98 6.830 -6.643 -1.556 1.00 0.00 C ATOM 829 CG ASN A 98 7.561 -7.162 -2.779 1.00 0.00 C ATOM 830 OD1 ASN A 98 8.257 -8.171 -2.716 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.419 -6.467 -3.896 1.00 0.00 N ATOM 0 H ASN A 98 8.850 -7.146 0.436 1.00 0.00 H new ATOM 0 HA ASN A 98 7.998 -4.851 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.462 -7.487 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.958 -6.071 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.897 -6.765 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.831 -5.634 -3.907 1.00 0.00 H new ATOM 838 N ALA A 99 5.898 -4.523 0.381 1.00 0.00 N ATOM 839 CA ALA A 99 5.044 -4.044 1.470 1.00 0.00 C ATOM 840 C ALA A 99 3.714 -4.803 1.485 1.00 0.00 C ATOM 841 O ALA A 99 3.005 -4.847 0.476 1.00 0.00 O ATOM 842 CB ALA A 99 4.809 -2.545 1.335 1.00 0.00 C ATOM 0 H ALA A 99 5.631 -4.173 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 99 5.550 -4.230 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.173 -2.202 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.764 -2.022 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.321 -2.337 0.382 1.00 0.00 H new ATOM 848 N TYR A 100 3.390 -5.412 2.626 1.00 0.00 N ATOM 849 CA TYR A 100 2.157 -6.190 2.759 1.00 0.00 C ATOM 850 C TYR A 100 1.080 -5.424 3.519 1.00 0.00 C ATOM 851 O TYR A 100 1.111 -5.344 4.747 1.00 0.00 O ATOM 852 CB TYR A 100 2.446 -7.520 3.463 1.00 0.00 C ATOM 853 CG TYR A 100 3.576 -8.302 2.832 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.893 -7.870 2.938 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.321 -9.460 2.112 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.922 -8.569 2.341 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.348 -10.166 1.520 1.00 0.00 C ATOM 858 CZ TYR A 100 5.644 -9.714 1.636 1.00 0.00 C ATOM 859 OH TYR A 100 6.661 -10.403 1.027 1.00 0.00 O ATOM 0 H TYR A 100 3.962 -5.382 3.470 1.00 0.00 H new ATOM 0 HA TYR A 100 1.781 -6.382 1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.689 -7.324 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.543 -8.130 3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.114 -6.973 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.305 -9.814 2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.940 -8.218 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.137 -11.070 0.968 1.00 0.00 H new ATOM 0 HH TYR A 100 6.592 -10.296 0.055 1.00 0.00 H new ATOM 869 N ARG A 101 0.117 -4.877 2.788 1.00 0.00 N ATOM 870 CA ARG A 101 -0.975 -4.138 3.407 1.00 0.00 C ATOM 871 C ARG A 101 -2.268 -4.940 3.331 1.00 0.00 C ATOM 872 O ARG A 101 -2.690 -5.369 2.253 1.00 0.00 O ATOM 873 CB ARG A 101 -1.148 -2.775 2.743 1.00 0.00 C ATOM 874 CG ARG A 101 -1.335 -1.638 3.735 1.00 0.00 C ATOM 875 CD ARG A 101 -2.749 -1.090 3.708 1.00 0.00 C ATOM 876 NE ARG A 101 -2.764 0.371 3.650 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.148 1.159 4.520 1.00 0.00 C ATOM 878 NH1 ARG A 101 -1.638 0.669 5.633 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.098 2.454 4.303 1.00 0.00 N ATOM 0 H ARG A 101 0.070 -4.931 1.771 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.730 -3.976 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.275 -2.567 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.010 -2.811 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.102 -1.991 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.631 -0.838 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.279 -1.493 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.285 -1.424 4.596 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.282 0.813 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.715 -0.328 5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.167 1.287 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.532 2.848 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.625 3.065 4.969 1.00 0.00 H new ATOM 893 N GLU A 102 -2.882 -5.156 4.486 1.00 0.00 N ATOM 894 CA GLU A 102 -4.115 -5.923 4.565 1.00 0.00 C ATOM 895 C GLU A 102 -5.344 -5.027 4.520 1.00 0.00 C ATOM 896 O GLU A 102 -5.333 -3.897 5.011 1.00 0.00 O ATOM 897 CB GLU A 102 -4.133 -6.753 5.847 1.00 0.00 C ATOM 898 CG GLU A 102 -4.547 -8.200 5.636 1.00 0.00 C ATOM 899 CD GLU A 102 -3.974 -9.124 6.690 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.462 -9.098 7.837 1.00 0.00 O ATOM 901 OE2 GLU A 102 -3.021 -9.870 6.373 1.00 0.00 O ATOM 0 H GLU A 102 -2.544 -4.809 5.384 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.148 -6.581 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.140 -6.731 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.816 -6.290 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.635 -8.269 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.218 -8.529 4.650 1.00 0.00 H new ATOM 908 N CYS A 103 -6.409 -5.557 3.943 1.00 0.00 N ATOM 909 CA CYS A 103 -7.675 -4.844 3.847 1.00 0.00 C ATOM 910 C CYS A 103 -8.740 -5.610 4.610 1.00 0.00 C ATOM 911 O CYS A 103 -8.953 -6.797 4.363 1.00 0.00 O ATOM 912 CB CYS A 103 -8.091 -4.643 2.388 1.00 0.00 C ATOM 913 SG CYS A 103 -8.951 -3.074 2.096 1.00 0.00 S ATOM 0 H CYS A 103 -6.423 -6.489 3.529 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.556 -3.854 4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.204 -4.686 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.739 -5.466 2.086 1.00 0.00 H new ATOM 918 N LEU A 104 -9.378 -4.934 5.554 1.00 0.00 N ATOM 919 CA LEU A 104 -10.401 -5.551 6.390 1.00 0.00 C ATOM 920 C LEU A 104 -11.685 -5.835 5.620 1.00 0.00 C ATOM 921 O LEU A 104 -12.045 -5.112 4.687 1.00 0.00 O ATOM 922 CB LEU A 104 -10.687 -4.656 7.598 1.00 0.00 C ATOM 923 CG LEU A 104 -9.881 -4.986 8.859 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.324 -6.316 9.446 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.392 -5.013 8.553 1.00 0.00 C ATOM 0 H LEU A 104 -9.204 -3.951 5.762 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.017 -6.513 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.488 -3.621 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.748 -4.723 7.837 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.068 -4.204 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.740 -6.532 10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.381 -6.265 9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.170 -7.107 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.838 -5.249 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.190 -5.772 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.079 -4.037 8.181 1.00 0.00 H new ATOM 937 N GLU A 105 -12.384 -6.891 6.041 1.00 0.00 N ATOM 938 CA GLU A 105 -13.652 -7.291 5.430 1.00 0.00 C ATOM 939 C GLU A 105 -14.636 -6.125 5.402 1.00 0.00 C ATOM 940 O GLU A 105 -15.580 -6.117 4.610 1.00 0.00 O ATOM 941 CB GLU A 105 -14.250 -8.480 6.194 1.00 0.00 C ATOM 942 CG GLU A 105 -13.403 -9.748 6.112 1.00 0.00 C ATOM 943 CD GLU A 105 -12.408 -9.885 7.253 1.00 0.00 C ATOM 944 OE1 GLU A 105 -11.728 -8.886 7.583 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.301 -10.997 7.811 1.00 0.00 O ATOM 0 H GLU A 105 -12.088 -7.490 6.812 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.459 -7.592 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.374 -8.203 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.244 -8.691 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.062 -10.616 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.862 -9.754 5.166 1.00 0.00 H new ATOM 952 N ASN A 106 -14.398 -5.129 6.253 1.00 0.00 N ATOM 953 CA ASN A 106 -15.250 -3.948 6.305 1.00 0.00 C ATOM 954 C ASN A 106 -14.821 -2.901 5.264 1.00 0.00 C ATOM 955 O ASN A 106 -15.511 -1.899 5.073 1.00 0.00 O ATOM 956 CB ASN A 106 -15.225 -3.339 7.712 1.00 0.00 C ATOM 957 CG ASN A 106 -16.612 -3.009 8.227 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.943 -3.286 9.376 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.435 -2.416 7.376 1.00 0.00 N ATOM 0 H ASN A 106 -13.622 -5.118 6.915 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.268 -4.258 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.743 -4.036 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.620 -2.432 7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.382 -2.173 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.122 -2.202 6.429 1.00 0.00 H new ATOM 966 N GLY A 107 -13.683 -3.140 4.589 1.00 0.00 N ATOM 967 CA GLY A 107 -13.189 -2.213 3.575 1.00 0.00 C ATOM 968 C GLY A 107 -12.067 -1.303 4.070 1.00 0.00 C ATOM 969 O GLY A 107 -11.555 -0.479 3.310 1.00 0.00 O ATOM 0 H GLY A 107 -13.097 -3.963 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.831 -2.783 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.017 -1.597 3.225 1.00 0.00 H new ATOM 973 N THR A 108 -11.688 -1.444 5.345 1.00 0.00 N ATOM 974 CA THR A 108 -10.632 -0.621 5.943 1.00 0.00 C ATOM 975 C THR A 108 -9.230 -1.152 5.619 1.00 0.00 C ATOM 976 O THR A 108 -9.041 -2.346 5.363 1.00 0.00 O ATOM 977 CB THR A 108 -10.818 -0.545 7.464 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.526 -1.673 7.947 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.576 0.686 7.912 1.00 0.00 C ATOM 0 H THR A 108 -12.099 -2.124 5.985 1.00 0.00 H new ATOM 0 HA THR A 108 -10.716 0.376 5.510 1.00 0.00 H new ATOM 0 HB THR A 108 -9.808 -0.508 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.630 -1.602 8.919 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.673 0.679 8.998 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.034 1.580 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.568 0.688 7.459 1.00 0.00 H new ATOM 987 N TRP A 109 -8.250 -0.246 5.638 1.00 0.00 N ATOM 988 CA TRP A 109 -6.853 -0.592 5.350 1.00 0.00 C ATOM 989 C TRP A 109 -6.066 -0.887 6.633 1.00 0.00 C ATOM 990 O TRP A 109 -6.060 -0.082 7.566 1.00 0.00 O ATOM 991 CB TRP A 109 -6.178 0.555 4.592 1.00 0.00 C ATOM 992 CG TRP A 109 -6.261 0.436 3.101 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.661 1.402 2.225 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.928 -0.709 2.308 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.587 0.932 0.938 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.144 -0.362 0.964 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.466 -1.993 2.604 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.913 -1.248 -0.080 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.235 -2.873 1.566 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.458 -2.496 0.238 1.00 0.00 C ATOM 0 H TRP A 109 -8.398 0.740 5.851 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.855 -1.494 4.738 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.636 1.496 4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.129 0.601 4.884 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.988 2.393 2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.824 1.461 0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.292 -2.292 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.087 -0.961 -1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.876 -3.868 1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.266 -3.206 -0.553 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.395 -2.038 6.667 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.601 -2.435 7.828 1.00 0.00 C ATOM 1013 C ALA A 110 -3.168 -1.888 7.755 1.00 0.00 C ATOM 1014 O ALA A 110 -2.662 -1.553 6.678 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.582 -3.952 7.955 1.00 0.00 C ATOM 0 H ALA A 110 -5.386 -2.713 5.902 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.070 -2.005 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.988 -4.237 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.601 -4.320 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.144 -4.387 7.057 1.00 0.00 H new ATOM 1021 N SER A 111 -2.516 -1.815 8.912 1.00 0.00 N ATOM 1022 CA SER A 111 -1.139 -1.319 8.998 1.00 0.00 C ATOM 1023 C SER A 111 -0.133 -2.474 8.991 1.00 0.00 C ATOM 1024 O SER A 111 0.876 -2.438 9.699 1.00 0.00 O ATOM 1025 CB SER A 111 -0.954 -0.472 10.263 1.00 0.00 C ATOM 1026 OG SER A 111 -1.645 0.764 10.156 1.00 0.00 O ATOM 0 H SER A 111 -2.918 -2.093 9.807 1.00 0.00 H new ATOM 0 HA SER A 111 -0.953 -0.698 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.319 -1.023 11.130 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.107 -0.286 10.428 1.00 0.00 H new ATOM 0 HG SER A 111 -1.513 1.285 10.976 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.408 -3.498 8.182 1.00 0.00 N ATOM 1033 CA ARG A 112 0.479 -4.660 8.084 1.00 0.00 C ATOM 1034 C ARG A 112 1.773 -4.329 7.327 1.00 0.00 C ATOM 1035 O ARG A 112 2.752 -5.075 7.420 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.245 -5.830 7.409 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.018 -6.708 8.384 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.161 -8.131 7.868 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.166 -9.032 8.458 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.234 -10.360 8.408 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.209 -10.962 7.751 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.691 -11.086 9.007 1.00 0.00 N ATOM 0 H ARG A 112 -1.235 -3.547 7.587 1.00 0.00 H new ATOM 0 HA ARG A 112 0.754 -4.947 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.934 -5.438 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.485 -6.443 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.507 -6.720 9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.007 -6.281 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.162 -8.499 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.056 -8.135 6.783 1.00 0.00 H new ATOM 0 HE ARG A 112 0.631 -8.613 8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.921 -10.408 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.250 -11.981 7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.454 -10.629 9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.643 -12.104 8.971 1.00 0.00 H new ATOM 1056 N VAL A 113 1.780 -3.218 6.581 1.00 0.00 N ATOM 1057 CA VAL A 113 2.964 -2.811 5.824 1.00 0.00 C ATOM 1058 C VAL A 113 4.167 -2.612 6.745 1.00 0.00 C ATOM 1059 O VAL A 113 4.254 -1.624 7.474 1.00 0.00 O ATOM 1060 CB VAL A 113 2.723 -1.518 5.012 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.851 -1.805 3.805 1.00 0.00 C ATOM 1062 CG2 VAL A 113 2.104 -0.427 5.878 1.00 0.00 C ATOM 0 H VAL A 113 0.982 -2.589 6.487 1.00 0.00 H new ATOM 0 HA VAL A 113 3.173 -3.621 5.125 1.00 0.00 H new ATOM 0 HB VAL A 113 3.690 -1.155 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.691 -0.884 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.344 -2.538 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.890 -2.200 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.947 0.469 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.148 -0.773 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.774 -0.196 6.706 1.00 0.00 H new ATOM 1072 N ASN A 114 5.086 -3.569 6.711 1.00 0.00 N ATOM 1073 CA ASN A 114 6.283 -3.513 7.542 1.00 0.00 C ATOM 1074 C ASN A 114 7.378 -2.692 6.867 1.00 0.00 C ATOM 1075 O ASN A 114 7.834 -1.687 7.409 1.00 0.00 O ATOM 1076 CB ASN A 114 6.784 -4.932 7.823 1.00 0.00 C ATOM 1077 CG ASN A 114 7.963 -4.958 8.775 1.00 0.00 C ATOM 1078 OD1 ASN A 114 9.110 -4.803 8.360 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.688 -5.149 10.056 1.00 0.00 N ATOM 0 H ASN A 114 5.025 -4.395 6.116 1.00 0.00 H new ATOM 0 HA ASN A 114 6.028 -3.027 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.970 -5.524 8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.070 -5.405 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.443 -5.172 10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.721 -5.273 10.357 1.00 0.00 H new ATOM 1086 N TYR A 115 7.794 -3.148 5.683 1.00 0.00 N ATOM 1087 CA TYR A 115 8.844 -2.500 4.890 1.00 0.00 C ATOM 1088 C TYR A 115 10.069 -2.092 5.728 1.00 0.00 C ATOM 1089 O TYR A 115 10.826 -1.204 5.333 1.00 0.00 O ATOM 1090 CB TYR A 115 8.281 -1.302 4.102 1.00 0.00 C ATOM 1091 CG TYR A 115 7.827 -0.121 4.940 1.00 0.00 C ATOM 1092 CD1 TYR A 115 8.732 0.846 5.358 1.00 0.00 C ATOM 1093 CD2 TYR A 115 6.491 0.039 5.287 1.00 0.00 C ATOM 1094 CE1 TYR A 115 8.320 1.937 6.098 1.00 0.00 C ATOM 1095 CE2 TYR A 115 6.073 1.127 6.032 1.00 0.00 C ATOM 1096 CZ TYR A 115 6.991 2.072 6.433 1.00 0.00 C ATOM 1097 OH TYR A 115 6.581 3.163 7.162 1.00 0.00 O ATOM 0 H TYR A 115 7.409 -3.984 5.243 1.00 0.00 H new ATOM 0 HA TYR A 115 9.198 -3.246 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.045 -0.958 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.437 -1.647 3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.776 0.743 5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.768 -0.698 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.037 2.681 6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.032 1.235 6.298 1.00 0.00 H new ATOM 0 HH TYR A 115 5.946 2.876 7.851 1.00 0.00 H new ATOM 1107 N SER A 116 10.290 -2.772 6.855 1.00 0.00 N ATOM 1108 CA SER A 116 11.448 -2.490 7.701 1.00 0.00 C ATOM 1109 C SER A 116 12.633 -3.369 7.293 1.00 0.00 C ATOM 1110 O SER A 116 13.775 -3.068 7.630 1.00 0.00 O ATOM 1111 CB SER A 116 11.113 -2.718 9.178 1.00 0.00 C ATOM 1112 OG SER A 116 12.197 -2.335 10.017 1.00 0.00 O ATOM 0 H SER A 116 9.685 -3.517 7.200 1.00 0.00 H new ATOM 0 HA SER A 116 11.719 -1.443 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.224 -2.146 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.877 -3.769 9.342 1.00 0.00 H new ATOM 0 HG SER A 116 11.956 -2.490 10.954 1.00 0.00 H new ATOM 1118 N HIS A 117 12.350 -4.455 6.565 1.00 0.00 N ATOM 1119 CA HIS A 117 13.388 -5.380 6.110 1.00 0.00 C ATOM 1120 C HIS A 117 14.240 -4.789 4.976 1.00 0.00 C ATOM 1121 O HIS A 117 15.233 -5.399 4.566 1.00 0.00 O ATOM 1122 CB HIS A 117 12.750 -6.696 5.653 1.00 0.00 C ATOM 1123 CG HIS A 117 13.247 -7.900 6.394 1.00 0.00 C ATOM 1124 ND1 HIS A 117 14.530 -8.009 6.886 1.00 0.00 N ATOM 1125 CD2 HIS A 117 12.620 -9.051 6.726 1.00 0.00 C ATOM 1126 CE1 HIS A 117 14.671 -9.177 7.488 1.00 0.00 C ATOM 1127 NE2 HIS A 117 13.525 -9.829 7.405 1.00 0.00 N ATOM 0 H HIS A 117 11.406 -4.714 6.279 1.00 0.00 H new ATOM 0 HA HIS A 117 14.053 -5.564 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.669 -6.626 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.942 -6.831 4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 117 11.596 -9.310 6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 117 15.570 -9.537 7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 117 13.342 -10.758 7.783 1.00 0.00 H new ATOM 1136 N CYS A 118 13.858 -3.608 4.471 1.00 0.00 N ATOM 1137 CA CYS A 118 14.603 -2.948 3.392 1.00 0.00 C ATOM 1138 C CYS A 118 15.851 -2.263 3.957 1.00 0.00 C ATOM 1139 O CYS A 118 15.750 -1.276 4.687 1.00 0.00 O ATOM 1140 CB CYS A 118 13.717 -1.925 2.665 1.00 0.00 C ATOM 1141 SG CYS A 118 12.033 -2.527 2.289 1.00 0.00 S ATOM 0 H CYS A 118 13.039 -3.092 4.792 1.00 0.00 H new ATOM 0 HA CYS A 118 14.911 -3.706 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.641 -1.026 3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.204 -1.636 1.734 1.00 0.00 H new ATOM 1146 N GLU A 119 17.020 -2.807 3.630 1.00 0.00 N ATOM 1147 CA GLU A 119 18.290 -2.265 4.124 1.00 0.00 C ATOM 1148 C GLU A 119 19.150 -1.684 2.991 1.00 0.00 C ATOM 1149 O GLU A 119 18.817 -1.820 1.813 1.00 0.00 O ATOM 1150 CB GLU A 119 19.058 -3.369 4.858 1.00 0.00 C ATOM 1151 CG GLU A 119 18.970 -3.268 6.378 1.00 0.00 C ATOM 1152 CD GLU A 119 20.227 -3.745 7.077 1.00 0.00 C ATOM 1153 OE1 GLU A 119 20.328 -4.959 7.349 1.00 0.00 O ATOM 1154 OE2 GLU A 119 21.106 -2.903 7.353 1.00 0.00 O ATOM 0 H GLU A 119 17.118 -3.623 3.025 1.00 0.00 H new ATOM 0 HA GLU A 119 18.066 -1.447 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.672 -4.339 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 119 20.106 -3.331 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.776 -2.232 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.121 -3.856 6.727 1.00 0.00 H new