USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 ASN : amide:sc= 0.59 K(o=0.19,f=-7.7!) USER MOD Set 1.2: A 117 HIS : no HE2:sc= -0.4 K(o=0.19,f=-12!) USER MOD Set 2.1: A 94 ASN : amide:sc= 0.878 K(o=2,f=-3.1!) USER MOD Set 2.2: A 96 THR OG1 : rot -99:sc= 1.11 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.1) USER MOD Single : A 62 THR OG1 : rot 38:sc= 0.00369 USER MOD Single : A 63 THR OG1 : rot 169:sc= 0.708 USER MOD Single : A 66 GLN : amide:sc= -1.51 K(o=-1.5,f=-8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0.0034 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 64:sc= -1.91! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 1.1 K(o=1.1,f=-0.36) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= -1.19! (180deg=-1.27!) USER MOD Single : A 93 TYR OH : rot 22:sc= 1.07 USER MOD Single : A 95 THR OG1 : rot 177:sc= -1.93! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot -101:sc= 0.97 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 232 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.93!) USER MOD Single : B 233 LYS NZ :NH3+ 132:sc= -16.7! (180deg=-19.4!) USER MOD Single : B 234 ASN : amide:sc= -3.04! C(o=-3!,f=-5.7!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -16.969 -5.295 0.143 1.00 0.00 N ATOM 230 CA TYR A 59 -16.205 -4.143 -0.346 1.00 0.00 C ATOM 231 C TYR A 59 -14.760 -4.141 0.170 1.00 0.00 C ATOM 232 O TYR A 59 -14.437 -4.784 1.167 1.00 0.00 O ATOM 233 CB TYR A 59 -16.905 -2.843 0.055 1.00 0.00 C ATOM 234 CG TYR A 59 -17.978 -2.418 -0.921 1.00 0.00 C ATOM 235 CD1 TYR A 59 -19.277 -2.891 -0.800 1.00 0.00 C ATOM 236 CD2 TYR A 59 -17.693 -1.545 -1.963 1.00 0.00 C ATOM 237 CE1 TYR A 59 -20.262 -2.509 -1.689 1.00 0.00 C ATOM 238 CE2 TYR A 59 -18.673 -1.157 -2.857 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.955 -1.641 -2.714 1.00 0.00 C ATOM 240 OH TYR A 59 -20.934 -1.255 -3.598 1.00 0.00 O ATOM 0 HA TYR A 59 -16.162 -4.219 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -17.350 -2.967 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.163 -2.049 0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -19.522 -3.570 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.689 -1.163 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.267 -2.888 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.435 -0.478 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.554 -0.640 -4.259 1.00 0.00 H new ATOM 250 N CYS A 60 -13.896 -3.406 -0.536 1.00 0.00 N ATOM 251 CA CYS A 60 -12.470 -3.292 -0.184 1.00 0.00 C ATOM 252 C CYS A 60 -11.711 -2.540 -1.278 1.00 0.00 C ATOM 253 O CYS A 60 -10.756 -3.057 -1.850 1.00 0.00 O ATOM 254 CB CYS A 60 -11.847 -4.679 0.012 1.00 0.00 C ATOM 255 SG CYS A 60 -11.168 -4.973 1.674 1.00 0.00 S ATOM 0 H CYS A 60 -14.160 -2.874 -1.365 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.396 -2.737 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.603 -5.436 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.051 -4.813 -0.721 1.00 0.00 H new ATOM 260 N ASN A 61 -12.149 -1.322 -1.570 1.00 0.00 N ATOM 261 CA ASN A 61 -11.522 -0.503 -2.610 1.00 0.00 C ATOM 262 C ASN A 61 -10.192 0.095 -2.129 1.00 0.00 C ATOM 263 O ASN A 61 -9.609 -0.389 -1.155 1.00 0.00 O ATOM 264 CB ASN A 61 -12.497 0.593 -3.075 1.00 0.00 C ATOM 265 CG ASN A 61 -12.982 1.479 -1.941 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.191 2.132 -1.267 1.00 0.00 O ATOM 267 ND2 ASN A 61 -14.291 1.508 -1.729 1.00 0.00 N ATOM 0 H ASN A 61 -12.938 -0.875 -1.102 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.291 -1.143 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.007 1.211 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.356 0.126 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.674 2.088 -0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.915 0.950 -2.312 1.00 0.00 H new ATOM 274 N THR A 62 -9.708 1.131 -2.832 1.00 0.00 N ATOM 275 CA THR A 62 -8.433 1.788 -2.490 1.00 0.00 C ATOM 276 C THR A 62 -8.160 1.772 -0.987 1.00 0.00 C ATOM 277 O THR A 62 -9.044 2.041 -0.169 1.00 0.00 O ATOM 278 CB THR A 62 -8.385 3.228 -3.013 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.080 3.758 -2.867 1.00 0.00 O ATOM 280 CG2 THR A 62 -9.338 4.173 -2.311 1.00 0.00 C ATOM 0 H THR A 62 -10.180 1.533 -3.642 1.00 0.00 H new ATOM 0 HA THR A 62 -7.650 1.210 -2.981 1.00 0.00 H new ATOM 0 HB THR A 62 -8.686 3.160 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.420 3.057 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.242 5.171 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.361 3.820 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.097 4.210 -1.249 1.00 0.00 H new ATOM 288 N THR A 63 -6.927 1.432 -0.635 1.00 0.00 N ATOM 289 CA THR A 63 -6.526 1.348 0.762 1.00 0.00 C ATOM 290 C THR A 63 -5.003 1.424 0.891 1.00 0.00 C ATOM 291 O THR A 63 -4.281 0.730 0.177 1.00 0.00 O ATOM 292 CB THR A 63 -7.074 0.043 1.356 1.00 0.00 C ATOM 293 OG1 THR A 63 -8.244 0.292 2.116 1.00 0.00 O ATOM 294 CG2 THR A 63 -6.100 -0.697 2.245 1.00 0.00 C ATOM 0 H THR A 63 -6.186 1.210 -1.300 1.00 0.00 H new ATOM 0 HA THR A 63 -6.938 2.191 1.316 1.00 0.00 H new ATOM 0 HB THR A 63 -7.280 -0.587 0.491 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.679 -0.558 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.569 -1.606 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.210 -0.958 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.817 -0.061 3.084 1.00 0.00 H new ATOM 302 N LEU A 64 -4.519 2.270 1.796 1.00 0.00 N ATOM 303 CA LEU A 64 -3.077 2.428 2.007 1.00 0.00 C ATOM 304 C LEU A 64 -2.622 1.702 3.275 1.00 0.00 C ATOM 305 O LEU A 64 -3.444 1.331 4.117 1.00 0.00 O ATOM 306 CB LEU A 64 -2.716 3.910 2.088 1.00 0.00 C ATOM 307 CG LEU A 64 -1.232 4.240 1.901 1.00 0.00 C ATOM 308 CD1 LEU A 64 -1.051 5.321 0.848 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.619 4.681 3.218 1.00 0.00 C ATOM 0 H LEU A 64 -5.100 2.857 2.395 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.559 1.981 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.288 4.447 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.035 4.291 3.058 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.721 3.339 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.010 5.541 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.457 4.975 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.576 6.224 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.436 4.912 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.137 5.568 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.715 3.880 3.950 1.00 0.00 H new ATOM 321 N ASP A 65 -1.315 1.495 3.403 1.00 0.00 N ATOM 322 CA ASP A 65 -0.764 0.807 4.570 1.00 0.00 C ATOM 323 C ASP A 65 0.402 1.580 5.207 1.00 0.00 C ATOM 324 O ASP A 65 0.912 2.550 4.641 1.00 0.00 O ATOM 325 CB ASP A 65 -0.327 -0.614 4.185 1.00 0.00 C ATOM 326 CG ASP A 65 0.677 -0.658 3.050 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.652 0.127 3.070 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.488 -1.493 2.141 1.00 0.00 O ATOM 0 H ASP A 65 -0.619 1.791 2.718 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.552 0.750 5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.105 -1.101 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.207 -1.191 3.902 1.00 0.00 H new ATOM 333 N GLN A 66 0.806 1.131 6.396 1.00 0.00 N ATOM 334 CA GLN A 66 1.900 1.751 7.158 1.00 0.00 C ATOM 335 C GLN A 66 3.179 1.940 6.327 1.00 0.00 C ATOM 336 O GLN A 66 3.956 2.860 6.579 1.00 0.00 O ATOM 337 CB GLN A 66 2.214 0.892 8.386 1.00 0.00 C ATOM 338 CG GLN A 66 2.710 1.691 9.586 1.00 0.00 C ATOM 339 CD GLN A 66 4.181 2.057 9.487 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.052 1.194 9.539 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.467 3.343 9.348 1.00 0.00 N ATOM 0 H GLN A 66 0.386 0.327 6.862 1.00 0.00 H new ATOM 0 HA GLN A 66 1.561 2.744 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.317 0.343 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.968 0.152 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.120 2.603 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.546 1.112 10.495 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.715 4.031 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.439 3.645 9.280 1.00 0.00 H new ATOM 350 N ILE A 67 3.396 1.065 5.351 1.00 0.00 N ATOM 351 CA ILE A 67 4.585 1.132 4.500 1.00 0.00 C ATOM 352 C ILE A 67 4.437 2.175 3.382 1.00 0.00 C ATOM 353 O ILE A 67 5.413 2.505 2.702 1.00 0.00 O ATOM 354 CB ILE A 67 4.899 -0.267 3.898 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.242 -0.780 4.421 1.00 0.00 C ATOM 356 CG2 ILE A 67 4.889 -0.251 2.373 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.538 -2.213 4.034 1.00 0.00 C ATOM 0 H ILE A 67 2.763 0.297 5.127 1.00 0.00 H new ATOM 0 HA ILE A 67 5.418 1.446 5.129 1.00 0.00 H new ATOM 0 HB ILE A 67 4.108 -0.946 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.038 -0.139 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.255 -0.696 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.113 -1.249 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.905 0.058 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.641 0.450 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.506 -2.507 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.763 -2.866 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.559 -2.300 2.948 1.00 0.00 H new ATOM 369 N GLY A 68 3.219 2.677 3.187 1.00 0.00 N ATOM 370 CA GLY A 68 2.976 3.654 2.141 1.00 0.00 C ATOM 371 C GLY A 68 2.570 3.001 0.833 1.00 0.00 C ATOM 372 O GLY A 68 2.717 3.594 -0.234 1.00 0.00 O ATOM 0 H GLY A 68 2.397 2.424 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.192 4.340 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.876 4.249 1.985 1.00 0.00 H new ATOM 376 N THR A 69 2.053 1.771 0.916 1.00 0.00 N ATOM 377 CA THR A 69 1.621 1.039 -0.271 1.00 0.00 C ATOM 378 C THR A 69 0.103 1.153 -0.437 1.00 0.00 C ATOM 379 O THR A 69 -0.656 0.958 0.516 1.00 0.00 O ATOM 380 CB THR A 69 2.076 -0.429 -0.192 1.00 0.00 C ATOM 381 OG1 THR A 69 3.400 -0.565 -0.686 1.00 0.00 O ATOM 382 CG2 THR A 69 1.208 -1.394 -0.977 1.00 0.00 C ATOM 0 H THR A 69 1.925 1.265 1.792 1.00 0.00 H new ATOM 0 HA THR A 69 2.087 1.480 -1.152 1.00 0.00 H new ATOM 0 HB THR A 69 2.001 -0.685 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.676 -1.504 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.598 -2.406 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.187 -1.356 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.214 -1.115 -2.031 1.00 0.00 H new ATOM 390 N CYS A 70 -0.331 1.497 -1.647 1.00 0.00 N ATOM 391 CA CYS A 70 -1.754 1.667 -1.941 1.00 0.00 C ATOM 392 C CYS A 70 -2.353 0.418 -2.582 1.00 0.00 C ATOM 393 O CYS A 70 -1.854 -0.073 -3.596 1.00 0.00 O ATOM 394 CB CYS A 70 -1.957 2.870 -2.865 1.00 0.00 C ATOM 395 SG CYS A 70 -3.678 3.458 -2.965 1.00 0.00 S ATOM 0 H CYS A 70 0.284 1.664 -2.443 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.268 1.838 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.325 3.689 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.617 2.605 -3.866 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.742 4.478 -3.769 1.00 0.00 H new ATOM 400 N TRP A 71 -3.429 -0.082 -1.983 1.00 0.00 N ATOM 401 CA TRP A 71 -4.120 -1.269 -2.481 1.00 0.00 C ATOM 402 C TRP A 71 -5.468 -0.870 -3.098 1.00 0.00 C ATOM 403 O TRP A 71 -6.502 -0.863 -2.424 1.00 0.00 O ATOM 404 CB TRP A 71 -4.299 -2.276 -1.337 1.00 0.00 C ATOM 405 CG TRP A 71 -2.997 -2.659 -0.691 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.293 -1.939 0.235 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.236 -3.848 -0.932 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.141 -2.602 0.573 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.082 -3.778 -0.128 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.417 -4.967 -1.752 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.117 -4.781 -0.122 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.459 -5.962 -1.744 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.322 -5.866 -0.934 1.00 0.00 C ATOM 0 H TRP A 71 -3.846 0.320 -1.143 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.525 -1.743 -3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.962 -1.850 -0.584 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.787 -3.172 -1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.600 -0.986 0.641 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.441 -2.273 1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.291 -5.051 -2.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.762 -4.707 0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.590 -6.829 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.408 -6.662 -0.949 1.00 0.00 H new ATOM 424 N PRO A 72 -5.458 -0.485 -4.392 1.00 0.00 N ATOM 425 CA PRO A 72 -6.661 -0.032 -5.105 1.00 0.00 C ATOM 426 C PRO A 72 -7.595 -1.154 -5.567 1.00 0.00 C ATOM 427 O PRO A 72 -7.153 -2.154 -6.134 1.00 0.00 O ATOM 428 CB PRO A 72 -6.079 0.701 -6.313 1.00 0.00 C ATOM 429 CG PRO A 72 -4.800 -0.005 -6.592 1.00 0.00 C ATOM 430 CD PRO A 72 -4.255 -0.417 -5.251 1.00 0.00 C ATOM 0 HA PRO A 72 -7.294 0.571 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.753 0.655 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.912 1.756 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.964 -0.873 -7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.100 0.647 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.745 -1.379 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.533 0.306 -4.873 1.00 0.00 H new ATOM 438 N GLN A 73 -8.897 -0.930 -5.345 1.00 0.00 N ATOM 439 CA GLN A 73 -9.972 -1.850 -5.746 1.00 0.00 C ATOM 440 C GLN A 73 -9.789 -3.285 -5.226 1.00 0.00 C ATOM 441 O GLN A 73 -8.780 -3.942 -5.488 1.00 0.00 O ATOM 442 CB GLN A 73 -10.114 -1.863 -7.269 1.00 0.00 C ATOM 443 CG GLN A 73 -11.546 -2.085 -7.741 1.00 0.00 C ATOM 444 CD GLN A 73 -11.634 -3.016 -8.938 1.00 0.00 C ATOM 445 OE1 GLN A 73 -11.071 -2.744 -9.993 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.344 -4.124 -8.780 1.00 0.00 N ATOM 0 H GLN A 73 -9.239 -0.092 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.883 -1.469 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.750 -0.916 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.478 -2.648 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.134 -2.498 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.991 -1.124 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.798 -4.316 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.436 -4.785 -9.551 1.00 0.00 H new ATOM 455 N SER A 74 -10.800 -3.775 -4.507 1.00 0.00 N ATOM 456 CA SER A 74 -10.779 -5.137 -3.963 1.00 0.00 C ATOM 457 C SER A 74 -12.050 -5.436 -3.164 1.00 0.00 C ATOM 458 O SER A 74 -12.932 -4.585 -3.036 1.00 0.00 O ATOM 459 CB SER A 74 -9.542 -5.342 -3.079 1.00 0.00 C ATOM 460 OG SER A 74 -8.420 -5.722 -3.856 1.00 0.00 O ATOM 0 H SER A 74 -11.646 -3.249 -4.287 1.00 0.00 H new ATOM 0 HA SER A 74 -10.735 -5.830 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.320 -4.422 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.748 -6.108 -2.332 1.00 0.00 H new ATOM 0 HG SER A 74 -8.184 -4.994 -4.467 1.00 0.00 H new ATOM 466 N ALA A 75 -12.129 -6.649 -2.628 1.00 0.00 N ATOM 467 CA ALA A 75 -13.280 -7.077 -1.834 1.00 0.00 C ATOM 468 C ALA A 75 -12.832 -8.008 -0.702 1.00 0.00 C ATOM 469 O ALA A 75 -11.657 -8.367 -0.623 1.00 0.00 O ATOM 470 CB ALA A 75 -14.301 -7.761 -2.735 1.00 0.00 C ATOM 0 H ALA A 75 -11.404 -7.360 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.748 -6.203 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.157 -8.078 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.633 -7.063 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.845 -8.631 -3.207 1.00 0.00 H new ATOM 476 N PRO A 76 -13.755 -8.417 0.193 1.00 0.00 N ATOM 477 CA PRO A 76 -13.423 -9.316 1.306 1.00 0.00 C ATOM 478 C PRO A 76 -12.891 -10.665 0.817 1.00 0.00 C ATOM 479 O PRO A 76 -13.251 -11.128 -0.268 1.00 0.00 O ATOM 480 CB PRO A 76 -14.754 -9.493 2.044 1.00 0.00 C ATOM 481 CG PRO A 76 -15.797 -9.114 1.056 1.00 0.00 C ATOM 482 CD PRO A 76 -15.179 -8.051 0.194 1.00 0.00 C ATOM 0 HA PRO A 76 -12.632 -8.909 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.885 -10.522 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.801 -8.860 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.100 -9.974 0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.691 -8.741 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.597 -8.053 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.340 -7.054 0.604 1.00 0.00 H new ATOM 490 N GLY A 77 -12.032 -11.289 1.625 1.00 0.00 N ATOM 491 CA GLY A 77 -11.457 -12.578 1.263 1.00 0.00 C ATOM 492 C GLY A 77 -10.793 -12.576 -0.108 1.00 0.00 C ATOM 493 O GLY A 77 -10.782 -13.597 -0.795 1.00 0.00 O ATOM 0 H GLY A 77 -11.724 -10.924 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.722 -12.864 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.241 -13.335 1.279 1.00 0.00 H new ATOM 497 N ALA A 78 -10.245 -11.426 -0.508 1.00 0.00 N ATOM 498 CA ALA A 78 -9.586 -11.300 -1.806 1.00 0.00 C ATOM 499 C ALA A 78 -8.072 -11.171 -1.657 1.00 0.00 C ATOM 500 O ALA A 78 -7.570 -10.122 -1.249 1.00 0.00 O ATOM 501 CB ALA A 78 -10.134 -10.096 -2.562 1.00 0.00 C ATOM 0 H ALA A 78 -10.246 -10.571 0.049 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.795 -12.209 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.634 -10.014 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.206 -10.221 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.955 -9.190 -1.983 1.00 0.00 H new ATOM 507 N LEU A 79 -7.348 -12.233 -2.001 1.00 0.00 N ATOM 508 CA LEU A 79 -5.887 -12.222 -1.920 1.00 0.00 C ATOM 509 C LEU A 79 -5.311 -11.322 -3.014 1.00 0.00 C ATOM 510 O LEU A 79 -5.233 -11.714 -4.180 1.00 0.00 O ATOM 511 CB LEU A 79 -5.334 -13.646 -2.045 1.00 0.00 C ATOM 512 CG LEU A 79 -3.810 -13.764 -1.974 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.367 -14.159 -0.575 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.312 -14.775 -2.993 1.00 0.00 C ATOM 0 H LEU A 79 -7.746 -13.110 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.590 -11.826 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.767 -14.257 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.671 -14.067 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.378 -12.791 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.280 -14.237 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.695 -13.403 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.807 -15.121 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.226 -14.849 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.754 -15.749 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.598 -14.453 -3.994 1.00 0.00 H new ATOM 526 N VAL A 80 -4.931 -10.108 -2.633 1.00 0.00 N ATOM 527 CA VAL A 80 -4.386 -9.134 -3.574 1.00 0.00 C ATOM 528 C VAL A 80 -2.851 -9.132 -3.562 1.00 0.00 C ATOM 529 O VAL A 80 -2.229 -9.065 -2.502 1.00 0.00 O ATOM 530 CB VAL A 80 -4.931 -7.727 -3.247 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.224 -6.655 -4.055 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.430 -7.672 -3.493 1.00 0.00 C ATOM 0 H VAL A 80 -4.991 -9.772 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.704 -9.419 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.736 -7.531 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.633 -5.678 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.158 -6.673 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.373 -6.844 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.801 -6.674 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.636 -7.899 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.930 -8.403 -2.858 1.00 0.00 H new ATOM 542 N GLU A 81 -2.247 -9.214 -4.748 1.00 0.00 N ATOM 543 CA GLU A 81 -0.787 -9.232 -4.877 1.00 0.00 C ATOM 544 C GLU A 81 -0.243 -7.875 -5.337 1.00 0.00 C ATOM 545 O GLU A 81 -0.761 -7.271 -6.280 1.00 0.00 O ATOM 546 CB GLU A 81 -0.356 -10.340 -5.853 1.00 0.00 C ATOM 547 CG GLU A 81 -0.510 -9.974 -7.328 1.00 0.00 C ATOM 548 CD GLU A 81 -1.954 -9.982 -7.796 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.692 -9.026 -7.464 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.345 -10.940 -8.492 1.00 0.00 O ATOM 0 H GLU A 81 -2.746 -9.269 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.367 -9.438 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.687 -10.592 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.943 -11.236 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.085 -8.985 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.065 -10.675 -7.932 1.00 0.00 H new ATOM 557 N ARG A 82 0.795 -7.388 -4.662 1.00 0.00 N ATOM 558 CA ARG A 82 1.396 -6.095 -5.009 1.00 0.00 C ATOM 559 C ARG A 82 2.919 -6.131 -4.847 1.00 0.00 C ATOM 560 O ARG A 82 3.456 -6.999 -4.160 1.00 0.00 O ATOM 561 CB ARG A 82 0.788 -4.985 -4.143 1.00 0.00 C ATOM 562 CG ARG A 82 0.085 -3.894 -4.945 1.00 0.00 C ATOM 563 CD ARG A 82 -1.427 -4.067 -4.943 1.00 0.00 C ATOM 564 NE ARG A 82 -1.853 -5.161 -5.821 1.00 0.00 N ATOM 565 CZ ARG A 82 -3.030 -5.238 -6.436 1.00 0.00 C ATOM 566 NH1 ARG A 82 -3.940 -4.292 -6.278 1.00 0.00 N ATOM 567 NH2 ARG A 82 -3.302 -6.279 -7.201 1.00 0.00 N ATOM 0 H ARG A 82 1.238 -7.863 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 82 1.179 -5.886 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.075 -5.429 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.577 -4.531 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.338 -2.919 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.450 -3.907 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.769 -4.263 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.899 -3.139 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.194 -5.925 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.744 -3.490 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.838 -4.364 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.611 -7.020 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.203 -6.342 -7.675 1.00 0.00 H new ATOM 581 N PRO A 83 3.647 -5.190 -5.480 1.00 0.00 N ATOM 582 CA PRO A 83 5.112 -5.142 -5.388 1.00 0.00 C ATOM 583 C PRO A 83 5.593 -5.020 -3.944 1.00 0.00 C ATOM 584 O PRO A 83 5.344 -4.017 -3.277 1.00 0.00 O ATOM 585 CB PRO A 83 5.494 -3.896 -6.197 1.00 0.00 C ATOM 586 CG PRO A 83 4.235 -3.109 -6.331 1.00 0.00 C ATOM 587 CD PRO A 83 3.116 -4.111 -6.326 1.00 0.00 C ATOM 0 HA PRO A 83 5.572 -6.055 -5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.266 -3.319 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.892 -4.169 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.128 -2.401 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.234 -2.528 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.198 -3.690 -5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.884 -4.463 -7.331 1.00 0.00 H new ATOM 595 N CYS A 84 6.285 -6.055 -3.469 1.00 0.00 N ATOM 596 CA CYS A 84 6.803 -6.073 -2.097 1.00 0.00 C ATOM 597 C CYS A 84 7.902 -5.028 -1.913 1.00 0.00 C ATOM 598 O CYS A 84 9.005 -5.181 -2.442 1.00 0.00 O ATOM 599 CB CYS A 84 7.332 -7.472 -1.728 1.00 0.00 C ATOM 600 SG CYS A 84 8.848 -7.477 -0.708 1.00 0.00 S ATOM 0 H CYS A 84 6.501 -6.892 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 84 5.978 -5.827 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.550 -8.011 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.528 -8.024 -2.647 1.00 0.00 H new ATOM 605 N PRO A 85 7.615 -3.944 -1.164 1.00 0.00 N ATOM 606 CA PRO A 85 8.589 -2.869 -0.912 1.00 0.00 C ATOM 607 C PRO A 85 9.803 -3.341 -0.097 1.00 0.00 C ATOM 608 O PRO A 85 10.097 -2.812 0.976 1.00 0.00 O ATOM 609 CB PRO A 85 7.777 -1.831 -0.128 1.00 0.00 C ATOM 610 CG PRO A 85 6.655 -2.599 0.474 1.00 0.00 C ATOM 611 CD PRO A 85 6.318 -3.671 -0.516 1.00 0.00 C ATOM 0 HA PRO A 85 9.016 -2.485 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.385 -1.352 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.409 -1.041 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.945 -3.029 1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.796 -1.955 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.916 -4.559 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.570 -3.336 -1.235 1.00 0.00 H new ATOM 619 N GLU A 86 10.510 -4.336 -0.628 1.00 0.00 N ATOM 620 CA GLU A 86 11.703 -4.891 0.020 1.00 0.00 C ATOM 621 C GLU A 86 12.814 -3.845 0.121 1.00 0.00 C ATOM 622 O GLU A 86 13.683 -3.924 0.989 1.00 0.00 O ATOM 623 CB GLU A 86 12.211 -6.091 -0.793 1.00 0.00 C ATOM 624 CG GLU A 86 12.981 -7.128 0.016 1.00 0.00 C ATOM 625 CD GLU A 86 14.346 -6.647 0.480 1.00 0.00 C ATOM 626 OE1 GLU A 86 15.177 -6.290 -0.385 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.598 -6.660 1.705 1.00 0.00 O ATOM 0 H GLU A 86 10.276 -4.781 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 86 11.431 -5.204 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.359 -6.579 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.853 -5.724 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.389 -7.410 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.108 -8.027 -0.588 1.00 0.00 H new ATOM 634 N TYR A 87 12.797 -2.884 -0.796 1.00 0.00 N ATOM 635 CA TYR A 87 13.819 -1.851 -0.842 1.00 0.00 C ATOM 636 C TYR A 87 13.236 -0.437 -0.867 1.00 0.00 C ATOM 637 O TYR A 87 12.261 -0.157 -1.566 1.00 0.00 O ATOM 638 CB TYR A 87 14.679 -2.059 -2.088 1.00 0.00 C ATOM 639 CG TYR A 87 13.868 -2.125 -3.365 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.116 -3.252 -3.669 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.846 -1.061 -4.255 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.364 -3.317 -4.827 1.00 0.00 C ATOM 643 CE2 TYR A 87 13.096 -1.117 -5.414 1.00 0.00 C ATOM 644 CZ TYR A 87 12.357 -2.247 -5.696 1.00 0.00 C ATOM 645 OH TYR A 87 11.608 -2.307 -6.850 1.00 0.00 O ATOM 0 H TYR A 87 12.083 -2.801 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 87 14.412 -1.939 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.400 -1.245 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.249 -2.981 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.119 -4.092 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.424 -0.175 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.785 -4.201 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.088 -0.280 -6.096 1.00 0.00 H new ATOM 0 HH TYR A 87 11.712 -1.471 -7.351 1.00 0.00 H new ATOM 655 N PHE A 88 13.889 0.448 -0.128 1.00 0.00 N ATOM 656 CA PHE A 88 13.516 1.857 -0.067 1.00 0.00 C ATOM 657 C PHE A 88 14.785 2.709 -0.214 1.00 0.00 C ATOM 658 O PHE A 88 14.908 3.779 0.384 1.00 0.00 O ATOM 659 CB PHE A 88 12.815 2.168 1.259 1.00 0.00 C ATOM 660 CG PHE A 88 11.373 1.739 1.311 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.376 2.546 0.787 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.014 0.534 1.897 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.050 2.159 0.844 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.691 0.145 1.958 1.00 0.00 C ATOM 665 CZ PHE A 88 8.708 0.957 1.431 1.00 0.00 C ATOM 0 H PHE A 88 14.696 0.210 0.449 1.00 0.00 H new ATOM 0 HA PHE A 88 12.822 2.088 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.357 1.678 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.870 3.241 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.638 3.488 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.778 -0.107 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.283 2.796 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.425 -0.795 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.673 0.653 1.478 1.00 0.00 H new ATOM 675 N ASN A 89 15.740 2.199 -1.001 1.00 0.00 N ATOM 676 CA ASN A 89 17.019 2.870 -1.217 1.00 0.00 C ATOM 677 C ASN A 89 17.604 2.522 -2.595 1.00 0.00 C ATOM 678 O ASN A 89 17.578 3.339 -3.515 1.00 0.00 O ATOM 679 CB ASN A 89 17.992 2.462 -0.098 1.00 0.00 C ATOM 680 CG ASN A 89 18.691 3.649 0.530 1.00 0.00 C ATOM 681 OD1 ASN A 89 19.182 4.535 -0.166 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.746 3.672 1.852 1.00 0.00 N ATOM 0 H ASN A 89 15.645 1.315 -1.501 1.00 0.00 H new ATOM 0 HA ASN A 89 16.863 3.949 -1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.446 1.918 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.738 1.778 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.209 4.445 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.326 2.916 2.393 1.00 0.00 H new ATOM 689 N GLY A 90 18.123 1.297 -2.721 1.00 0.00 N ATOM 690 CA GLY A 90 18.705 0.838 -3.979 1.00 0.00 C ATOM 691 C GLY A 90 18.953 -0.662 -3.977 1.00 0.00 C ATOM 692 O GLY A 90 20.047 -1.122 -4.316 1.00 0.00 O ATOM 0 H GLY A 90 18.151 0.610 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.038 1.094 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.645 1.361 -4.156 1.00 0.00 H new ATOM 696 N ILE A 91 17.931 -1.418 -3.581 1.00 0.00 N ATOM 697 CA ILE A 91 18.019 -2.879 -3.510 1.00 0.00 C ATOM 698 C ILE A 91 17.034 -3.542 -4.477 1.00 0.00 C ATOM 699 O ILE A 91 16.212 -2.869 -5.099 1.00 0.00 O ATOM 700 CB ILE A 91 17.732 -3.403 -2.073 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.770 -2.267 -1.040 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.721 -4.493 -1.684 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.161 -1.736 -0.763 1.00 0.00 C ATOM 0 H ILE A 91 17.025 -1.041 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 91 19.040 -3.140 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 91 16.727 -3.825 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 91 17.142 -1.448 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.335 -2.623 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.499 -4.843 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.639 -5.325 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.734 -4.093 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.105 -0.937 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.788 -2.541 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.592 -1.347 -1.685 1.00 0.00 H new ATOM 715 N LYS A 92 17.126 -4.873 -4.585 1.00 0.00 N ATOM 716 CA LYS A 92 16.249 -5.663 -5.458 1.00 0.00 C ATOM 717 C LYS A 92 16.395 -5.272 -6.929 1.00 0.00 C ATOM 718 O LYS A 92 15.976 -4.196 -7.355 1.00 0.00 O ATOM 719 CB LYS A 92 14.789 -5.530 -5.022 1.00 0.00 C ATOM 720 CG LYS A 92 14.497 -6.116 -3.648 1.00 0.00 C ATOM 721 CD LYS A 92 14.729 -7.619 -3.615 1.00 0.00 C ATOM 722 CE LYS A 92 16.138 -7.960 -3.163 1.00 0.00 C ATOM 723 NZ LYS A 92 16.217 -8.115 -1.687 1.00 0.00 N ATOM 0 H LYS A 92 17.808 -5.431 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 92 16.558 -6.704 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.516 -4.475 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.154 -6.023 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.132 -5.634 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.464 -5.901 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.008 -8.084 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.554 -8.036 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.462 -8.883 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.824 -7.176 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.200 -8.314 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.899 -7.237 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.607 -8.902 -1.387 1.00 0.00 H new ATOM 737 N TYR A 93 16.989 -6.173 -7.698 1.00 0.00 N ATOM 738 CA TYR A 93 17.201 -5.959 -9.123 1.00 0.00 C ATOM 739 C TYR A 93 16.581 -7.111 -9.924 1.00 0.00 C ATOM 740 O TYR A 93 17.115 -7.546 -10.943 1.00 0.00 O ATOM 741 CB TYR A 93 18.707 -5.812 -9.392 1.00 0.00 C ATOM 742 CG TYR A 93 19.429 -5.075 -8.276 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.500 -3.688 -8.263 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.008 -5.768 -7.218 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.134 -3.013 -7.233 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.638 -5.101 -6.182 1.00 0.00 C ATOM 747 CZ TYR A 93 20.699 -3.723 -6.196 1.00 0.00 C ATOM 748 OH TYR A 93 21.325 -3.056 -5.165 1.00 0.00 O ATOM 0 H TYR A 93 17.336 -7.069 -7.355 1.00 0.00 H new ATOM 0 HA TYR A 93 16.709 -5.041 -9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.149 -6.801 -9.515 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.855 -5.278 -10.331 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.053 -3.126 -9.070 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.965 -6.847 -7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.185 -1.934 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.079 -5.656 -5.367 1.00 0.00 H new ATOM 0 HH TYR A 93 20.990 -2.136 -5.119 1.00 0.00 H new ATOM 758 N ASN A 94 15.436 -7.593 -9.430 1.00 0.00 N ATOM 759 CA ASN A 94 14.698 -8.689 -10.052 1.00 0.00 C ATOM 760 C ASN A 94 13.339 -8.868 -9.370 1.00 0.00 C ATOM 761 O ASN A 94 12.294 -8.694 -9.996 1.00 0.00 O ATOM 762 CB ASN A 94 15.503 -9.990 -9.961 1.00 0.00 C ATOM 763 CG ASN A 94 14.794 -11.161 -10.617 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.063 -11.905 -9.963 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.003 -11.332 -11.913 1.00 0.00 N ATOM 0 H ASN A 94 14.996 -7.230 -8.584 1.00 0.00 H new ATOM 0 HA ASN A 94 14.537 -8.446 -11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.474 -9.846 -10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.691 -10.224 -8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.551 -12.102 -12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.616 -10.693 -12.419 1.00 0.00 H new ATOM 772 N THR A 95 13.375 -9.207 -8.075 1.00 0.00 N ATOM 773 CA THR A 95 12.162 -9.410 -7.269 1.00 0.00 C ATOM 774 C THR A 95 11.062 -10.096 -8.081 1.00 0.00 C ATOM 775 O THR A 95 9.985 -9.534 -8.292 1.00 0.00 O ATOM 776 CB THR A 95 11.654 -8.073 -6.703 1.00 0.00 C ATOM 777 OG1 THR A 95 12.662 -7.078 -6.766 1.00 0.00 O ATOM 778 CG2 THR A 95 11.206 -8.165 -5.258 1.00 0.00 C ATOM 0 H THR A 95 14.242 -9.348 -7.557 1.00 0.00 H new ATOM 0 HA THR A 95 12.425 -10.064 -6.437 1.00 0.00 H new ATOM 0 HB THR A 95 10.798 -7.811 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.300 -6.225 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.860 -7.188 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.393 -8.886 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.042 -8.487 -4.638 1.00 0.00 H new ATOM 786 N THR A 96 11.342 -11.316 -8.534 1.00 0.00 N ATOM 787 CA THR A 96 10.385 -12.095 -9.331 1.00 0.00 C ATOM 788 C THR A 96 9.247 -12.651 -8.464 1.00 0.00 C ATOM 789 O THR A 96 8.964 -13.851 -8.483 1.00 0.00 O ATOM 790 CB THR A 96 11.110 -13.239 -10.057 1.00 0.00 C ATOM 791 OG1 THR A 96 12.334 -13.559 -9.410 1.00 0.00 O ATOM 792 CG2 THR A 96 11.427 -12.925 -11.503 1.00 0.00 C ATOM 0 H THR A 96 12.228 -11.792 -8.364 1.00 0.00 H new ATOM 0 HA THR A 96 9.942 -11.426 -10.068 1.00 0.00 H new ATOM 0 HB THR A 96 10.417 -14.080 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.077 -13.135 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.938 -13.774 -11.956 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.501 -12.728 -12.044 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.070 -12.046 -11.552 1.00 0.00 H new ATOM 800 N ARG A 97 8.602 -11.767 -7.700 1.00 0.00 N ATOM 801 CA ARG A 97 7.502 -12.144 -6.817 1.00 0.00 C ATOM 802 C ARG A 97 6.782 -10.897 -6.293 1.00 0.00 C ATOM 803 O ARG A 97 7.328 -9.792 -6.338 1.00 0.00 O ATOM 804 CB ARG A 97 8.023 -12.977 -5.647 1.00 0.00 C ATOM 805 CG ARG A 97 9.439 -12.630 -5.211 1.00 0.00 C ATOM 806 CD ARG A 97 10.430 -13.718 -5.600 1.00 0.00 C ATOM 807 NE ARG A 97 10.115 -15.015 -4.988 1.00 0.00 N ATOM 808 CZ ARG A 97 10.256 -15.289 -3.695 1.00 0.00 C ATOM 809 NH1 ARG A 97 10.596 -14.348 -2.843 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.035 -16.508 -3.250 1.00 0.00 N ATOM 0 H ARG A 97 8.828 -10.773 -7.678 1.00 0.00 H new ATOM 0 HA ARG A 97 6.793 -12.742 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.352 -12.848 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.989 -14.031 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.739 -11.686 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.462 -12.486 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.439 -13.825 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.433 -13.414 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 97 9.764 -15.755 -5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.755 -13.396 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.701 -14.570 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.755 -17.244 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.144 -16.716 -2.257 1.00 0.00 H new ATOM 824 N ASN A 98 5.555 -11.078 -5.797 1.00 0.00 N ATOM 825 CA ASN A 98 4.766 -9.959 -5.275 1.00 0.00 C ATOM 826 C ASN A 98 4.230 -10.240 -3.863 1.00 0.00 C ATOM 827 O ASN A 98 4.208 -11.384 -3.405 1.00 0.00 O ATOM 828 CB ASN A 98 3.600 -9.626 -6.228 1.00 0.00 C ATOM 829 CG ASN A 98 3.430 -10.642 -7.346 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.900 -10.436 -8.464 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.758 -11.745 -7.049 1.00 0.00 N ATOM 0 H ASN A 98 5.088 -11.984 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 98 5.433 -9.099 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.675 -9.569 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.766 -8.641 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.614 -12.462 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.384 -11.877 -6.109 1.00 0.00 H new ATOM 838 N ALA A 99 3.792 -9.175 -3.193 1.00 0.00 N ATOM 839 CA ALA A 99 3.242 -9.256 -1.840 1.00 0.00 C ATOM 840 C ALA A 99 1.747 -9.561 -1.871 1.00 0.00 C ATOM 841 O ALA A 99 0.969 -8.801 -2.452 1.00 0.00 O ATOM 842 CB ALA A 99 3.486 -7.943 -1.108 1.00 0.00 C ATOM 0 H ALA A 99 3.809 -8.229 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 99 3.744 -10.068 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.075 -8.006 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.558 -7.752 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.000 -7.130 -1.647 1.00 0.00 H new ATOM 848 N TYR A 100 1.351 -10.667 -1.245 1.00 0.00 N ATOM 849 CA TYR A 100 -0.058 -11.066 -1.204 1.00 0.00 C ATOM 850 C TYR A 100 -0.759 -10.526 0.049 1.00 0.00 C ATOM 851 O TYR A 100 -0.378 -10.848 1.179 1.00 0.00 O ATOM 852 CB TYR A 100 -0.179 -12.592 -1.257 1.00 0.00 C ATOM 853 CG TYR A 100 0.378 -13.212 -2.522 1.00 0.00 C ATOM 854 CD1 TYR A 100 -0.387 -13.279 -3.680 1.00 0.00 C ATOM 855 CD2 TYR A 100 1.664 -13.739 -2.556 1.00 0.00 C ATOM 856 CE1 TYR A 100 0.114 -13.851 -4.836 1.00 0.00 C ATOM 857 CE2 TYR A 100 2.168 -14.314 -3.708 1.00 0.00 C ATOM 858 CZ TYR A 100 1.390 -14.367 -4.842 1.00 0.00 C ATOM 859 OH TYR A 100 1.893 -14.944 -5.986 1.00 0.00 O ATOM 0 H TYR A 100 1.983 -11.303 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.550 -10.636 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.340 -13.017 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.230 -12.866 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.390 -12.878 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.279 -13.699 -1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -0.493 -13.892 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.169 -14.720 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 100 2.807 -15.257 -5.820 1.00 0.00 H new ATOM 869 N ARG A 101 -1.787 -9.705 -0.165 1.00 0.00 N ATOM 870 CA ARG A 101 -2.561 -9.112 0.927 1.00 0.00 C ATOM 871 C ARG A 101 -4.054 -9.396 0.743 1.00 0.00 C ATOM 872 O ARG A 101 -4.639 -9.051 -0.286 1.00 0.00 O ATOM 873 CB ARG A 101 -2.309 -7.602 0.983 1.00 0.00 C ATOM 874 CG ARG A 101 -2.639 -6.970 2.327 1.00 0.00 C ATOM 875 CD ARG A 101 -2.051 -5.573 2.443 1.00 0.00 C ATOM 876 NE ARG A 101 -3.063 -4.574 2.802 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.717 -4.553 3.955 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.466 -5.459 4.885 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.619 -3.618 4.176 1.00 0.00 N ATOM 0 H ARG A 101 -2.106 -9.433 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.241 -9.560 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.262 -7.410 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.902 -7.116 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -3.721 -6.923 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.252 -7.597 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.262 -5.574 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.589 -5.295 1.496 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.278 -3.847 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.765 -6.181 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.973 -5.436 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.811 -2.915 3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.125 -3.597 5.061 1.00 0.00 H new ATOM 893 N GLU A 102 -4.664 -10.038 1.737 1.00 0.00 N ATOM 894 CA GLU A 102 -6.086 -10.382 1.668 1.00 0.00 C ATOM 895 C GLU A 102 -6.954 -9.425 2.489 1.00 0.00 C ATOM 896 O GLU A 102 -6.479 -8.770 3.420 1.00 0.00 O ATOM 897 CB GLU A 102 -6.302 -11.820 2.145 1.00 0.00 C ATOM 898 CG GLU A 102 -7.538 -12.475 1.549 1.00 0.00 C ATOM 899 CD GLU A 102 -7.459 -13.989 1.541 1.00 0.00 C ATOM 900 OE1 GLU A 102 -6.468 -14.532 1.010 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.392 -14.630 2.064 1.00 0.00 O ATOM 0 H GLU A 102 -4.200 -10.330 2.597 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.392 -10.289 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.425 -12.415 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.385 -11.826 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.416 -12.165 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.675 -12.118 0.528 1.00 0.00 H new ATOM 908 N CYS A 103 -8.235 -9.362 2.133 1.00 0.00 N ATOM 909 CA CYS A 103 -9.194 -8.499 2.826 1.00 0.00 C ATOM 910 C CYS A 103 -10.029 -9.295 3.830 1.00 0.00 C ATOM 911 O CYS A 103 -10.010 -10.525 3.828 1.00 0.00 O ATOM 912 CB CYS A 103 -10.113 -7.813 1.812 1.00 0.00 C ATOM 913 SG CYS A 103 -9.556 -6.153 1.318 1.00 0.00 S ATOM 0 H CYS A 103 -8.636 -9.900 1.365 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.632 -7.743 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.189 -8.439 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.114 -7.738 2.236 1.00 0.00 H new ATOM 918 N LEU A 104 -10.770 -8.581 4.678 1.00 0.00 N ATOM 919 CA LEU A 104 -11.627 -9.206 5.690 1.00 0.00 C ATOM 920 C LEU A 104 -12.778 -9.977 5.039 1.00 0.00 C ATOM 921 O LEU A 104 -12.732 -10.272 3.850 1.00 0.00 O ATOM 922 CB LEU A 104 -12.154 -8.138 6.658 1.00 0.00 C ATOM 923 CG LEU A 104 -11.504 -8.151 8.041 1.00 0.00 C ATOM 924 CD1 LEU A 104 -11.745 -6.836 8.762 1.00 0.00 C ATOM 925 CD2 LEU A 104 -12.032 -9.315 8.865 1.00 0.00 C ATOM 0 H LEU A 104 -10.795 -7.561 4.685 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.033 -9.925 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.003 -7.156 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.229 -8.273 6.776 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.429 -8.277 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.273 -6.868 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.318 -6.019 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.817 -6.676 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.559 -9.310 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.111 -9.218 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.805 -10.253 8.358 1.00 0.00 H new ATOM 937 N GLU A 105 -13.805 -10.313 5.817 1.00 0.00 N ATOM 938 CA GLU A 105 -14.946 -11.060 5.286 1.00 0.00 C ATOM 939 C GLU A 105 -16.237 -10.247 5.371 1.00 0.00 C ATOM 940 O GLU A 105 -17.325 -10.794 5.568 1.00 0.00 O ATOM 941 CB GLU A 105 -15.099 -12.390 6.027 1.00 0.00 C ATOM 942 CG GLU A 105 -15.705 -13.494 5.171 1.00 0.00 C ATOM 943 CD GLU A 105 -15.188 -14.869 5.538 1.00 0.00 C ATOM 944 OE1 GLU A 105 -15.654 -15.426 6.553 1.00 0.00 O ATOM 945 OE2 GLU A 105 -14.319 -15.389 4.808 1.00 0.00 O ATOM 0 H GLU A 105 -13.872 -10.083 6.808 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.753 -11.262 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.121 -12.713 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.725 -12.237 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.790 -13.478 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.486 -13.296 4.122 1.00 0.00 H new ATOM 952 N ASN A 106 -16.108 -8.936 5.214 1.00 0.00 N ATOM 953 CA ASN A 106 -17.263 -8.040 5.264 1.00 0.00 C ATOM 954 C ASN A 106 -17.040 -6.806 4.397 1.00 0.00 C ATOM 955 O ASN A 106 -17.839 -6.499 3.510 1.00 0.00 O ATOM 956 CB ASN A 106 -17.539 -7.618 6.710 1.00 0.00 C ATOM 957 CG ASN A 106 -18.747 -8.316 7.296 1.00 0.00 C ATOM 958 OD1 ASN A 106 -19.881 -8.015 6.940 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.511 -9.250 8.203 1.00 0.00 N ATOM 0 H ASN A 106 -15.217 -8.467 5.051 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.126 -8.580 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.664 -7.837 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.693 -6.540 6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.288 -9.750 8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.552 -9.470 8.471 1.00 0.00 H new ATOM 966 N GLY A 107 -15.943 -6.105 4.658 1.00 0.00 N ATOM 967 CA GLY A 107 -15.633 -4.906 3.892 1.00 0.00 C ATOM 968 C GLY A 107 -14.463 -4.124 4.451 1.00 0.00 C ATOM 969 O GLY A 107 -14.577 -2.926 4.714 1.00 0.00 O ATOM 0 H GLY A 107 -15.264 -6.341 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.414 -5.188 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.512 -4.262 3.866 1.00 0.00 H new ATOM 973 N THR A 108 -13.336 -4.801 4.632 1.00 0.00 N ATOM 974 CA THR A 108 -12.125 -4.167 5.160 1.00 0.00 C ATOM 975 C THR A 108 -10.904 -5.003 4.809 1.00 0.00 C ATOM 976 O THR A 108 -11.025 -6.190 4.515 1.00 0.00 O ATOM 977 CB THR A 108 -12.199 -3.994 6.686 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.535 -3.849 7.133 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.426 -2.795 7.188 1.00 0.00 C ATOM 0 H THR A 108 -13.231 -5.793 4.421 1.00 0.00 H new ATOM 0 HA THR A 108 -12.044 -3.180 4.705 1.00 0.00 H new ATOM 0 HB THR A 108 -11.752 -4.904 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.544 -3.743 8.107 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.519 -2.730 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.375 -2.901 6.920 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.826 -1.888 6.735 1.00 0.00 H new ATOM 987 N TRP A 109 -9.728 -4.397 4.855 1.00 0.00 N ATOM 988 CA TRP A 109 -8.497 -5.119 4.556 1.00 0.00 C ATOM 989 C TRP A 109 -7.970 -5.802 5.820 1.00 0.00 C ATOM 990 O TRP A 109 -8.205 -5.328 6.933 1.00 0.00 O ATOM 991 CB TRP A 109 -7.453 -4.169 3.971 1.00 0.00 C ATOM 992 CG TRP A 109 -7.744 -3.770 2.552 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.674 -2.862 2.121 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.102 -4.276 1.379 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.648 -2.777 0.747 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.689 -3.634 0.271 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.084 -5.210 1.158 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.292 -3.900 -1.035 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.693 -5.473 -0.141 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.295 -4.819 -1.223 1.00 0.00 C ATOM 0 H TRP A 109 -9.598 -3.414 5.094 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.707 -5.888 3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.399 -3.273 4.590 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.473 -4.645 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.331 -2.296 2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.244 -2.176 0.177 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.612 -5.716 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.754 -3.399 -1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.911 -6.194 -0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.966 -5.044 -2.227 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.275 -6.923 5.656 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.747 -7.662 6.803 1.00 0.00 C ATOM 1013 C ALA A 110 -5.448 -7.047 7.336 1.00 0.00 C ATOM 1014 O ALA A 110 -4.874 -6.137 6.727 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.539 -9.124 6.426 1.00 0.00 C ATOM 0 H ALA A 110 -7.064 -7.339 4.749 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.480 -7.600 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.146 -9.669 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.491 -9.561 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.831 -9.189 5.600 1.00 0.00 H new ATOM 1021 N SER A 111 -4.992 -7.555 8.479 1.00 0.00 N ATOM 1022 CA SER A 111 -3.756 -7.073 9.104 1.00 0.00 C ATOM 1023 C SER A 111 -2.607 -8.062 8.881 1.00 0.00 C ATOM 1024 O SER A 111 -1.601 -8.030 9.589 1.00 0.00 O ATOM 1025 CB SER A 111 -3.966 -6.851 10.607 1.00 0.00 C ATOM 1026 OG SER A 111 -5.253 -6.315 10.873 1.00 0.00 O ATOM 0 H SER A 111 -5.459 -8.302 8.994 1.00 0.00 H new ATOM 0 HA SER A 111 -3.493 -6.124 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.846 -7.796 11.137 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.202 -6.173 10.987 1.00 0.00 H new ATOM 0 HG SER A 111 -5.360 -6.185 11.838 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.770 -8.947 7.896 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.763 -9.946 7.577 1.00 0.00 C ATOM 1034 C ARG A 112 -1.453 -9.934 6.081 1.00 0.00 C ATOM 1035 O ARG A 112 -2.362 -9.961 5.248 1.00 0.00 O ATOM 1036 CB ARG A 112 -2.255 -11.331 7.992 1.00 0.00 C ATOM 1037 CG ARG A 112 -2.602 -11.449 9.470 1.00 0.00 C ATOM 1038 CD ARG A 112 -3.426 -12.697 9.753 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.677 -13.679 10.543 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.433 -13.567 11.843 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -2.875 -12.526 12.521 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -1.741 -14.501 12.463 1.00 0.00 N ATOM 0 H ARG A 112 -3.600 -8.987 7.304 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.851 -9.708 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.135 -11.584 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.487 -12.066 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.685 -11.476 10.059 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.157 -10.566 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.335 -12.419 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.736 -13.149 8.811 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.319 -14.504 10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.409 -11.798 12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.683 -12.449 13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.394 -15.308 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.552 -14.417 13.462 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.167 -9.892 5.749 1.00 0.00 N ATOM 1057 CA VAL A 113 0.271 -9.877 4.358 1.00 0.00 C ATOM 1058 C VAL A 113 1.388 -10.895 4.129 1.00 0.00 C ATOM 1059 O VAL A 113 2.197 -11.157 5.021 1.00 0.00 O ATOM 1060 CB VAL A 113 0.772 -8.480 3.936 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.627 -8.284 2.435 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.033 -7.383 4.684 1.00 0.00 C ATOM 0 H VAL A 113 0.594 -9.868 6.428 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.595 -10.140 3.750 1.00 0.00 H new ATOM 0 HB VAL A 113 1.829 -8.416 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.987 -7.292 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.212 -9.040 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.422 -8.380 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.407 -6.410 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.033 -7.450 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.194 -7.501 5.756 1.00 0.00 H new ATOM 1072 N ASN A 114 1.429 -11.467 2.929 1.00 0.00 N ATOM 1073 CA ASN A 114 2.447 -12.453 2.585 1.00 0.00 C ATOM 1074 C ASN A 114 3.788 -11.779 2.291 1.00 0.00 C ATOM 1075 O ASN A 114 4.225 -11.710 1.137 1.00 0.00 O ATOM 1076 CB ASN A 114 1.990 -13.286 1.384 1.00 0.00 C ATOM 1077 CG ASN A 114 2.833 -14.528 1.163 1.00 0.00 C ATOM 1078 OD1 ASN A 114 3.957 -14.453 0.663 1.00 0.00 O ATOM 1079 ND2 ASN A 114 2.293 -15.681 1.523 1.00 0.00 N ATOM 0 H ASN A 114 0.768 -11.264 2.179 1.00 0.00 H new ATOM 0 HA ASN A 114 2.585 -13.115 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.951 -13.581 1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.024 -12.668 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.810 -16.550 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.360 -15.701 1.934 1.00 0.00 H new ATOM 1086 N TYR A 115 4.447 -11.293 3.343 1.00 0.00 N ATOM 1087 CA TYR A 115 5.752 -10.640 3.188 1.00 0.00 C ATOM 1088 C TYR A 115 6.819 -11.657 2.760 1.00 0.00 C ATOM 1089 O TYR A 115 7.868 -11.276 2.245 1.00 0.00 O ATOM 1090 CB TYR A 115 6.214 -9.927 4.477 1.00 0.00 C ATOM 1091 CG TYR A 115 5.113 -9.489 5.420 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.265 -8.438 5.098 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.944 -10.112 6.650 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.279 -8.022 5.975 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.958 -9.706 7.528 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.130 -8.660 7.186 1.00 0.00 C ATOM 1097 OH TYR A 115 2.156 -8.249 8.063 1.00 0.00 O ATOM 0 H TYR A 115 4.105 -11.337 4.303 1.00 0.00 H new ATOM 0 HA TYR A 115 5.629 -9.884 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.885 -10.594 5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.796 -9.049 4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.377 -7.937 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.595 -10.929 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.629 -7.201 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.837 -10.206 8.478 1.00 0.00 H new ATOM 0 HH TYR A 115 2.559 -7.692 8.762 1.00 0.00 H new ATOM 1107 N SER A 116 6.543 -12.953 2.976 1.00 0.00 N ATOM 1108 CA SER A 116 7.474 -14.030 2.612 1.00 0.00 C ATOM 1109 C SER A 116 8.132 -13.781 1.253 1.00 0.00 C ATOM 1110 O SER A 116 9.335 -13.993 1.089 1.00 0.00 O ATOM 1111 CB SER A 116 6.743 -15.378 2.587 1.00 0.00 C ATOM 1112 OG SER A 116 6.055 -15.616 3.805 1.00 0.00 O ATOM 0 H SER A 116 5.677 -13.280 3.404 1.00 0.00 H new ATOM 0 HA SER A 116 8.258 -14.049 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.035 -15.395 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.460 -16.179 2.410 1.00 0.00 H new ATOM 0 HG SER A 116 5.597 -16.481 3.759 1.00 0.00 H new ATOM 1118 N HIS A 117 7.341 -13.327 0.279 1.00 0.00 N ATOM 1119 CA HIS A 117 7.852 -13.050 -1.066 1.00 0.00 C ATOM 1120 C HIS A 117 8.775 -11.815 -1.077 1.00 0.00 C ATOM 1121 O HIS A 117 8.542 -10.858 -1.821 1.00 0.00 O ATOM 1122 CB HIS A 117 6.681 -12.858 -2.041 1.00 0.00 C ATOM 1123 CG HIS A 117 5.976 -14.131 -2.401 1.00 0.00 C ATOM 1124 ND1 HIS A 117 5.112 -14.791 -1.551 1.00 0.00 N ATOM 1125 CD2 HIS A 117 6.011 -14.862 -3.536 1.00 0.00 C ATOM 1126 CE1 HIS A 117 4.651 -15.876 -2.150 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.180 -15.942 -3.358 1.00 0.00 N ATOM 0 H HIS A 117 6.345 -13.143 0.396 1.00 0.00 H new ATOM 0 HA HIS A 117 8.447 -13.905 -1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.962 -12.168 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.053 -12.390 -2.952 1.00 0.00 H new ATOM 0 HD1 HIS A 117 4.867 -14.489 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.587 -14.639 -4.422 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.959 -16.587 -1.724 1.00 0.00 H new ATOM 1136 N CYS A 118 9.828 -11.854 -0.252 1.00 0.00 N ATOM 1137 CA CYS A 118 10.792 -10.753 -0.158 1.00 0.00 C ATOM 1138 C CYS A 118 12.170 -11.270 0.284 1.00 0.00 C ATOM 1139 O CYS A 118 12.431 -11.427 1.479 1.00 0.00 O ATOM 1140 CB CYS A 118 10.296 -9.682 0.827 1.00 0.00 C ATOM 1141 SG CYS A 118 8.600 -9.083 0.510 1.00 0.00 S ATOM 0 H CYS A 118 10.034 -12.641 0.363 1.00 0.00 H new ATOM 0 HA CYS A 118 10.887 -10.306 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.341 -10.088 1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.979 -8.833 0.794 1.00 0.00 H new ATOM 1146 N GLU A 119 13.042 -11.534 -0.689 1.00 0.00 N ATOM 1147 CA GLU A 119 14.394 -12.037 -0.415 1.00 0.00 C ATOM 1148 C GLU A 119 15.420 -11.385 -1.354 1.00 0.00 C ATOM 1149 O GLU A 119 15.044 -10.720 -2.321 1.00 0.00 O ATOM 1150 CB GLU A 119 14.436 -13.566 -0.556 1.00 0.00 C ATOM 1151 CG GLU A 119 13.537 -14.124 -1.653 1.00 0.00 C ATOM 1152 CD GLU A 119 12.843 -15.405 -1.239 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.443 -16.484 -1.407 1.00 0.00 O ATOM 1154 OE2 GLU A 119 11.689 -15.328 -0.758 1.00 0.00 O ATOM 0 H GLU A 119 12.837 -11.408 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 119 14.654 -11.774 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.463 -13.872 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.148 -14.014 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.788 -13.378 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.133 -14.310 -2.547 1.00 0.00 H new ATOM 1161 N PRO A 120 16.736 -11.540 -1.080 1.00 0.00 N ATOM 1162 CA PRO A 120 17.784 -10.938 -1.919 1.00 0.00 C ATOM 1163 C PRO A 120 17.915 -11.600 -3.294 1.00 0.00 C ATOM 1164 O PRO A 120 17.382 -12.685 -3.532 1.00 0.00 O ATOM 1165 CB PRO A 120 19.056 -11.128 -1.094 1.00 0.00 C ATOM 1166 CG PRO A 120 18.779 -12.320 -0.243 1.00 0.00 C ATOM 1167 CD PRO A 120 17.305 -12.285 0.063 1.00 0.00 C ATOM 0 HA PRO A 120 17.562 -9.896 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.923 -11.291 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.269 -10.248 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.047 -13.240 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.368 -12.289 0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.886 -13.289 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.103 -11.784 1.010 1.00 0.00 H new ATOM 1175 N ILE A 121 18.625 -10.925 -4.196 1.00 0.00 N ATOM 1176 CA ILE A 121 18.832 -11.421 -5.561 1.00 0.00 C ATOM 1177 C ILE A 121 20.317 -11.383 -5.950 1.00 0.00 C ATOM 1178 O ILE A 121 21.167 -10.989 -5.150 1.00 0.00 O ATOM 1179 CB ILE A 121 18.009 -10.599 -6.590 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.659 -9.232 -6.844 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.567 -10.422 -6.122 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.642 -8.312 -5.639 1.00 0.00 C ATOM 0 H ILE A 121 19.070 -10.027 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 121 18.489 -12.455 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 121 17.999 -11.156 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.691 -9.384 -7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.143 -8.743 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.013 -9.843 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.100 -11.400 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.556 -9.897 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.119 -7.366 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.611 -8.128 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.184 -8.779 -4.817 1.00 0.00 H new ATOM 1260 N GLU B 230 20.416 -2.081 5.347 1.00 0.00 N ATOM 1261 CA GLU B 230 19.458 -1.223 4.644 1.00 0.00 C ATOM 1262 C GLU B 230 18.207 -1.968 4.175 1.00 0.00 C ATOM 1263 O GLU B 230 17.087 -1.559 4.482 1.00 0.00 O ATOM 1264 CB GLU B 230 20.138 -0.527 3.462 1.00 0.00 C ATOM 1265 CG GLU B 230 20.479 0.932 3.734 1.00 0.00 C ATOM 1266 CD GLU B 230 19.347 1.686 4.415 1.00 0.00 C ATOM 1267 OE1 GLU B 230 18.322 1.971 3.791 1.00 0.00 O ATOM 0 HA GLU B 230 19.121 -0.479 5.366 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.052 -1.065 3.210 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.484 -0.583 2.592 1.00 0.00 H new ATOM 0 HG2 GLU B 230 21.370 0.981 4.360 1.00 0.00 H new ATOM 0 HG3 GLU B 230 20.723 1.425 2.793 1.00 0.00 H new ATOM 1274 N ALA B 231 18.383 -3.054 3.433 1.00 0.00 N ATOM 1275 CA ALA B 231 17.240 -3.817 2.936 1.00 0.00 C ATOM 1276 C ALA B 231 16.516 -4.573 4.060 1.00 0.00 C ATOM 1277 O ALA B 231 15.289 -4.680 4.047 1.00 0.00 O ATOM 1278 CB ALA B 231 17.684 -4.758 1.827 1.00 0.00 C ATOM 0 H ALA B 231 19.294 -3.425 3.163 1.00 0.00 H new ATOM 0 HA ALA B 231 16.518 -3.111 2.525 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.825 -5.322 1.463 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.111 -4.179 1.008 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.434 -5.448 2.214 1.00 0.00 H new ATOM 1284 N HIS B 232 17.272 -5.080 5.043 1.00 0.00 N ATOM 1285 CA HIS B 232 16.673 -5.807 6.172 1.00 0.00 C ATOM 1286 C HIS B 232 15.671 -4.924 6.916 1.00 0.00 C ATOM 1287 O HIS B 232 14.496 -5.274 7.032 1.00 0.00 O ATOM 1288 CB HIS B 232 17.753 -6.307 7.136 1.00 0.00 C ATOM 1289 CG HIS B 232 17.754 -7.792 7.357 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.805 -8.649 6.833 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.605 -8.568 8.065 1.00 0.00 C ATOM 1292 CE1 HIS B 232 17.075 -9.885 7.213 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.163 -9.865 7.962 1.00 0.00 N ATOM 0 H HIS B 232 18.288 -5.002 5.081 1.00 0.00 H new ATOM 0 HA HIS B 232 16.144 -6.670 5.769 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.729 -6.009 6.753 1.00 0.00 H new ATOM 0 HB3 HIS B 232 17.622 -5.810 8.097 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.473 -8.230 8.611 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.503 -10.764 6.955 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.603 -10.678 8.393 1.00 0.00 H new ATOM 1302 N LYS B 233 16.135 -3.766 7.401 1.00 0.00 N ATOM 1303 CA LYS B 233 15.253 -2.828 8.105 1.00 0.00 C ATOM 1304 C LYS B 233 14.036 -2.524 7.239 1.00 0.00 C ATOM 1305 O LYS B 233 12.907 -2.480 7.732 1.00 0.00 O ATOM 1306 CB LYS B 233 15.990 -1.525 8.480 1.00 0.00 C ATOM 1307 CG LYS B 233 17.087 -1.108 7.503 1.00 0.00 C ATOM 1308 CD LYS B 233 16.973 0.363 7.113 1.00 0.00 C ATOM 1309 CE LYS B 233 18.155 1.181 7.620 1.00 0.00 C ATOM 1310 NZ LYS B 233 19.225 1.279 6.626 1.00 0.00 N ATOM 0 H LYS B 233 17.104 -3.459 7.320 1.00 0.00 H new ATOM 0 HA LYS B 233 14.929 -3.295 9.035 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.260 -0.719 8.551 1.00 0.00 H new ATOM 0 HB3 LYS B 233 16.430 -1.645 9.470 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.063 -1.289 7.954 1.00 0.00 H new ATOM 0 HG3 LYS B 233 17.030 -1.727 6.607 1.00 0.00 H new ATOM 0 HD2 LYS B 233 16.913 0.447 6.028 1.00 0.00 H new ATOM 0 HD3 LYS B 233 16.048 0.774 7.516 1.00 0.00 H new ATOM 0 HE2 LYS B 233 17.815 2.182 7.886 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.547 0.726 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.529 2.270 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 20.032 0.695 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 18.876 0.942 5.706 1.00 0.00 H new ATOM 1322 N ASN B 234 14.272 -2.360 5.937 1.00 0.00 N ATOM 1323 CA ASN B 234 13.195 -2.109 4.989 1.00 0.00 C ATOM 1324 C ASN B 234 12.183 -3.254 5.038 1.00 0.00 C ATOM 1325 O ASN B 234 10.998 -3.030 5.272 1.00 0.00 O ATOM 1326 CB ASN B 234 13.759 -1.940 3.574 1.00 0.00 C ATOM 1327 CG ASN B 234 14.221 -0.521 3.311 1.00 0.00 C ATOM 1328 OD1 ASN B 234 13.562 0.435 3.703 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.356 -0.374 2.646 1.00 0.00 N ATOM 0 H ASN B 234 15.201 -2.397 5.518 1.00 0.00 H new ATOM 0 HA ASN B 234 12.687 -1.184 5.263 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.595 -2.625 3.433 1.00 0.00 H new ATOM 0 HB3 ASN B 234 12.996 -2.214 2.845 1.00 0.00 H new ATOM 0 HD21 ASN B 234 15.711 0.561 2.443 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.876 -1.195 2.336 1.00 0.00 H new ATOM 1336 N ARG B 235 12.660 -4.488 4.847 1.00 0.00 N ATOM 1337 CA ARG B 235 11.783 -5.654 4.900 1.00 0.00 C ATOM 1338 C ARG B 235 11.069 -5.747 6.252 1.00 0.00 C ATOM 1339 O ARG B 235 9.887 -6.079 6.310 1.00 0.00 O ATOM 1340 CB ARG B 235 12.575 -6.929 4.635 1.00 0.00 C ATOM 1341 CG ARG B 235 11.997 -7.771 3.518 1.00 0.00 C ATOM 1342 CD ARG B 235 12.809 -9.034 3.313 1.00 0.00 C ATOM 1343 NE ARG B 235 14.214 -8.737 3.031 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.228 -9.530 3.347 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.012 -10.743 3.817 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.463 -9.117 3.149 1.00 0.00 N ATOM 0 H ARG B 235 13.639 -4.701 4.656 1.00 0.00 H new ATOM 0 HA ARG B 235 11.027 -5.540 4.123 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.603 -6.665 4.387 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.610 -7.523 5.548 1.00 0.00 H new ATOM 0 HG2 ARG B 235 10.965 -8.032 3.752 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.978 -7.193 2.594 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.741 -9.658 4.204 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.386 -9.608 2.489 1.00 0.00 H new ATOM 0 HE ARG B 235 14.428 -7.859 2.558 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.057 -11.079 3.941 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.800 -11.345 4.057 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.634 -8.192 2.755 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.248 -9.722 3.390 1.00 0.00 H new ATOM 1360 N LYS B 236 11.786 -5.439 7.338 1.00 0.00 N ATOM 1361 CA LYS B 236 11.194 -5.478 8.680 1.00 0.00 C ATOM 1362 C LYS B 236 9.943 -4.595 8.736 1.00 0.00 C ATOM 1363 O LYS B 236 8.920 -4.984 9.301 1.00 0.00 O ATOM 1364 CB LYS B 236 12.214 -5.030 9.731 1.00 0.00 C ATOM 1365 CG LYS B 236 13.021 -6.177 10.321 1.00 0.00 C ATOM 1366 CD LYS B 236 12.180 -7.020 11.274 1.00 0.00 C ATOM 1367 CE LYS B 236 12.616 -8.478 11.277 1.00 0.00 C ATOM 1368 NZ LYS B 236 13.919 -8.667 11.984 1.00 0.00 N ATOM 0 H LYS B 236 12.768 -5.162 7.316 1.00 0.00 H new ATOM 0 HA LYS B 236 10.904 -6.505 8.900 1.00 0.00 H new ATOM 0 HB2 LYS B 236 12.897 -4.310 9.279 1.00 0.00 H new ATOM 0 HB3 LYS B 236 11.691 -4.512 10.535 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.402 -6.806 9.517 1.00 0.00 H new ATOM 0 HG3 LYS B 236 13.886 -5.779 10.852 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.259 -6.615 12.283 1.00 0.00 H new ATOM 0 HD3 LYS B 236 11.131 -6.955 10.986 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.850 -9.085 11.759 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.705 -8.833 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 14.182 -9.673 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 14.656 -8.107 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 13.827 -8.352 12.971 1.00 0.00 H new ATOM 1382 N LEU B 237 10.031 -3.416 8.118 1.00 0.00 N ATOM 1383 CA LEU B 237 8.902 -2.480 8.061 1.00 0.00 C ATOM 1384 C LEU B 237 7.674 -3.127 7.405 1.00 0.00 C ATOM 1385 O LEU B 237 6.543 -2.694 7.632 1.00 0.00 O ATOM 1386 CB LEU B 237 9.310 -1.217 7.288 1.00 0.00 C ATOM 1387 CG LEU B 237 9.127 0.105 8.039 1.00 0.00 C ATOM 1388 CD1 LEU B 237 7.652 0.423 8.212 1.00 0.00 C ATOM 1389 CD2 LEU B 237 9.822 0.055 9.390 1.00 0.00 C ATOM 0 H LEU B 237 10.873 -3.084 7.648 1.00 0.00 H new ATOM 0 HA LEU B 237 8.633 -2.209 9.082 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.358 -1.310 7.002 1.00 0.00 H new ATOM 0 HB3 LEU B 237 8.731 -1.174 6.366 1.00 0.00 H new ATOM 0 HG LEU B 237 9.583 0.899 7.447 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.544 1.366 8.748 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.180 0.506 7.233 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.172 -0.374 8.780 1.00 0.00 H new ATOM 0 HD21 LEU B 237 9.680 1.004 9.908 1.00 0.00 H new ATOM 0 HD22 LEU B 237 9.398 -0.752 9.988 1.00 0.00 H new ATOM 0 HD23 LEU B 237 10.887 -0.123 9.245 1.00 0.00 H new ATOM 1420 N GLU B 239 6.642 -6.268 7.921 1.00 0.00 N ATOM 1421 CA GLU B 239 5.950 -7.051 8.954 1.00 0.00 C ATOM 1422 C GLU B 239 4.792 -6.239 9.533 1.00 0.00 C ATOM 1423 O GLU B 239 3.724 -6.780 9.847 1.00 0.00 O ATOM 1424 CB GLU B 239 6.913 -7.445 10.085 1.00 0.00 C ATOM 1425 CG GLU B 239 8.270 -7.951 9.609 1.00 0.00 C ATOM 1426 CD GLU B 239 8.281 -9.440 9.331 1.00 0.00 C ATOM 1427 OE1 GLU B 239 7.589 -9.874 8.385 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.987 -10.171 10.058 1.00 0.00 O ATOM 0 HA GLU B 239 5.567 -7.960 8.490 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.067 -6.581 10.732 1.00 0.00 H new ATOM 0 HB3 GLU B 239 6.443 -8.218 10.693 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.554 -7.416 8.703 1.00 0.00 H new ATOM 0 HG3 GLU B 239 9.022 -7.722 10.364 1.00 0.00 H new ATOM 1435 N ILE B 240 5.025 -4.929 9.652 1.00 0.00 N ATOM 1436 CA ILE B 240 4.034 -3.990 10.175 1.00 0.00 C ATOM 1437 C ILE B 240 2.747 -4.001 9.343 1.00 0.00 C ATOM 1438 O ILE B 240 1.659 -3.770 9.871 1.00 0.00 O ATOM 1439 CB ILE B 240 4.608 -2.553 10.207 1.00 0.00 C ATOM 1440 CG1 ILE B 240 5.667 -2.425 11.296 1.00 0.00 C ATOM 1441 CG2 ILE B 240 3.506 -1.525 10.423 1.00 0.00 C ATOM 1442 CD1 ILE B 240 6.463 -1.142 11.209 1.00 0.00 C ATOM 0 H ILE B 240 5.907 -4.491 9.388 1.00 0.00 H new ATOM 0 HA ILE B 240 3.793 -4.311 11.188 1.00 0.00 H new ATOM 0 HB ILE B 240 5.071 -2.357 9.240 1.00 0.00 H new ATOM 0 HG12 ILE B 240 5.183 -2.479 12.271 1.00 0.00 H new ATOM 0 HG13 ILE B 240 6.349 -3.273 11.231 1.00 0.00 H new ATOM 0 HG21 ILE B 240 3.940 -0.525 10.441 1.00 0.00 H new ATOM 0 HG22 ILE B 240 2.782 -1.592 9.611 1.00 0.00 H new ATOM 0 HG23 ILE B 240 3.007 -1.721 11.372 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.199 -1.115 12.013 1.00 0.00 H new ATOM 0 HD12 ILE B 240 6.974 -1.096 10.247 1.00 0.00 H new ATOM 0 HD13 ILE B 240 5.791 -0.289 11.304 1.00 0.00 H new ATOM 1454 N ILE B 241 2.876 -4.270 8.043 1.00 0.00 N ATOM 1455 CA ILE B 241 1.716 -4.306 7.152 1.00 0.00 C ATOM 1456 C ILE B 241 0.911 -5.587 7.353 1.00 0.00 C ATOM 1457 O ILE B 241 -0.301 -5.613 7.130 1.00 0.00 O ATOM 1458 CB ILE B 241 2.113 -4.187 5.658 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.292 -3.231 5.462 1.00 0.00 C ATOM 1460 CG2 ILE B 241 0.925 -3.700 4.848 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.100 -1.896 6.144 1.00 0.00 C ATOM 0 H ILE B 241 3.767 -4.465 7.586 1.00 0.00 H new ATOM 0 HA ILE B 241 1.105 -3.442 7.413 1.00 0.00 H new ATOM 0 HB ILE B 241 2.418 -5.175 5.314 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.198 -3.700 5.845 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.444 -3.067 4.395 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.209 -3.618 3.799 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.102 -4.408 4.947 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.609 -2.724 5.216 1.00 0.00 H new ATOM 0 HD11 ILE B 241 3.972 -1.267 5.965 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.212 -1.407 5.744 1.00 0.00 H new ATOM 0 HD13 ILE B 241 2.977 -2.049 7.216 1.00 0.00 H new