USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=22 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: B 233 LYS NZ :NH3+ 165:sc= -13.9! (180deg=-14.3!) USER MOD Set 1.2: B 234 ASN :FLIP amide:sc= -4.39! C(o=-20!,f=-18!) USER MOD Set 2.1: A 114 ASN : amide:sc= 0 K(o=-0.95,f=-2.3) USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-9!) USER MOD Set 3.1: A 87 TYR OH : rot -19:sc= 1.99 USER MOD Set 3.2: A 95 THR OG1 : rot 131:sc= -0.119 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.51) USER MOD Single : A 62 THR OG1 : rot 42:sc= 0.104 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -1.25 F(o=-3.9,f=-1.3) USER MOD Single : A 69 THR OG1 : rot 150:sc= 0 USER MOD Single : A 70 CYS SG : rot 4:sc= 1.08 USER MOD Single : A 73 GLN : amide:sc= 1.01 K(o=1,f=-0.23) USER MOD Single : A 74 SER OG : rot 80:sc= 0.206 USER MOD Single : A 89 ASN : amide:sc= 0.177 K(o=0.18,f=-1.7) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= -0.806 (180deg=-1.05) USER MOD Single : A 93 TYR OH : rot 60:sc= 0.832 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.494 F(o=-1.8,f=-0.49) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 98 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.4!) USER MOD Single : A 100 TYR OH : rot 84:sc= 1.3 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 50:sc= -0.938 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 232 HIS : no HE2:sc= 0.0237 K(o=0.024,f=-2.4!) USER MOD Single : B 236 LYS NZ :NH3+ -121:sc= 1.24 (180deg=-3.98!) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.004 -5.039 0.711 1.00 0.00 N ATOM 230 CA TYR A 59 -16.115 -4.515 -0.326 1.00 0.00 C ATOM 231 C TYR A 59 -14.932 -3.759 0.279 1.00 0.00 C ATOM 232 O TYR A 59 -15.045 -3.146 1.342 1.00 0.00 O ATOM 233 CB TYR A 59 -16.889 -3.586 -1.267 1.00 0.00 C ATOM 234 CG TYR A 59 -17.323 -4.248 -2.555 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.458 -4.343 -3.637 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.599 -4.778 -2.686 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.854 -4.950 -4.814 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.001 -5.386 -3.859 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.124 -5.469 -4.918 1.00 0.00 C ATOM 240 OH TYR A 59 -18.522 -6.073 -6.085 1.00 0.00 O ATOM 0 HA TYR A 59 -15.727 -5.365 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -17.770 -3.210 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.266 -2.723 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.461 -3.936 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.289 -4.714 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.170 -5.017 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -19.997 -5.794 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 59 -19.446 -6.386 -5.993 1.00 0.00 H new ATOM 250 N CYS A 60 -13.803 -3.789 -0.422 1.00 0.00 N ATOM 251 CA CYS A 60 -12.595 -3.094 0.020 1.00 0.00 C ATOM 252 C CYS A 60 -12.326 -1.890 -0.887 1.00 0.00 C ATOM 253 O CYS A 60 -12.583 -1.946 -2.093 1.00 0.00 O ATOM 254 CB CYS A 60 -11.382 -4.035 0.001 1.00 0.00 C ATOM 255 SG CYS A 60 -11.674 -5.688 0.725 1.00 0.00 S ATOM 0 H CYS A 60 -13.698 -4.290 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.752 -2.753 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.054 -4.160 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.563 -3.558 0.540 1.00 0.00 H new ATOM 260 N ASN A 61 -11.813 -0.802 -0.317 1.00 0.00 N ATOM 261 CA ASN A 61 -11.529 0.398 -1.106 1.00 0.00 C ATOM 262 C ASN A 61 -10.045 0.775 -1.080 1.00 0.00 C ATOM 263 O ASN A 61 -9.262 0.234 -0.288 1.00 0.00 O ATOM 264 CB ASN A 61 -12.388 1.574 -0.617 1.00 0.00 C ATOM 265 CG ASN A 61 -11.903 2.158 0.697 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.017 3.013 0.723 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.481 1.704 1.796 1.00 0.00 N ATOM 0 H ASN A 61 -11.587 -0.724 0.675 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.785 0.171 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.390 2.356 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.419 1.240 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.196 2.063 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.212 0.995 1.732 1.00 0.00 H new ATOM 274 N THR A 62 -9.678 1.723 -1.952 1.00 0.00 N ATOM 275 CA THR A 62 -8.302 2.210 -2.043 1.00 0.00 C ATOM 276 C THR A 62 -7.787 2.569 -0.658 1.00 0.00 C ATOM 277 O THR A 62 -8.364 3.422 0.021 1.00 0.00 O ATOM 278 CB THR A 62 -8.219 3.436 -2.961 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.242 4.371 -2.660 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.341 3.098 -4.430 1.00 0.00 C ATOM 0 H THR A 62 -10.322 2.168 -2.606 1.00 0.00 H new ATOM 0 HA THR A 62 -7.684 1.418 -2.465 1.00 0.00 H new ATOM 0 HB THR A 62 -7.230 3.856 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.336 4.451 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.274 4.012 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.536 2.421 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.302 2.617 -4.614 1.00 0.00 H new ATOM 288 N THR A 63 -6.725 1.905 -0.231 1.00 0.00 N ATOM 289 CA THR A 63 -6.159 2.138 1.091 1.00 0.00 C ATOM 290 C THR A 63 -4.668 2.451 1.024 1.00 0.00 C ATOM 291 O THR A 63 -3.990 2.099 0.059 1.00 0.00 O ATOM 292 CB THR A 63 -6.420 0.907 1.967 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.265 1.246 3.050 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.179 0.266 2.552 1.00 0.00 C ATOM 0 H THR A 63 -6.236 1.199 -0.781 1.00 0.00 H new ATOM 0 HA THR A 63 -6.642 3.011 1.529 1.00 0.00 H new ATOM 0 HB THR A 63 -6.878 0.185 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.426 0.451 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.465 -0.596 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.522 -0.058 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.656 0.990 3.177 1.00 0.00 H new ATOM 302 N LEU A 64 -4.161 3.092 2.070 1.00 0.00 N ATOM 303 CA LEU A 64 -2.743 3.427 2.147 1.00 0.00 C ATOM 304 C LEU A 64 -2.006 2.399 3.008 1.00 0.00 C ATOM 305 O LEU A 64 -2.595 1.403 3.431 1.00 0.00 O ATOM 306 CB LEU A 64 -2.554 4.840 2.702 1.00 0.00 C ATOM 307 CG LEU A 64 -1.651 5.740 1.859 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.483 6.634 0.954 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.747 6.575 2.750 1.00 0.00 C ATOM 0 H LEU A 64 -4.710 3.390 2.877 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.321 3.401 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.531 5.313 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.138 4.769 3.707 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.024 5.106 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.823 7.267 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.087 6.017 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.137 7.260 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.112 7.209 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.356 7.199 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.124 5.917 3.355 1.00 0.00 H new ATOM 321 N ASP A 65 -0.722 2.625 3.251 1.00 0.00 N ATOM 322 CA ASP A 65 0.067 1.689 4.045 1.00 0.00 C ATOM 323 C ASP A 65 1.133 2.391 4.876 1.00 0.00 C ATOM 324 O ASP A 65 1.565 3.496 4.547 1.00 0.00 O ATOM 325 CB ASP A 65 0.745 0.683 3.112 1.00 0.00 C ATOM 326 CG ASP A 65 0.450 -0.755 3.456 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.071 -1.021 4.555 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.754 -1.626 2.613 1.00 0.00 O ATOM 0 H ASP A 65 -0.208 3.439 2.914 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.613 1.186 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.424 0.876 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.823 0.841 3.143 1.00 0.00 H new ATOM 333 N GLN A 66 1.589 1.711 5.928 1.00 0.00 N ATOM 334 CA GLN A 66 2.648 2.239 6.784 1.00 0.00 C ATOM 335 C GLN A 66 3.932 2.415 5.965 1.00 0.00 C ATOM 336 O GLN A 66 4.698 3.354 6.174 1.00 0.00 O ATOM 337 CB GLN A 66 2.885 1.293 7.966 1.00 0.00 C ATOM 338 CG GLN A 66 3.397 1.994 9.219 1.00 0.00 C ATOM 339 CD GLN A 66 4.814 2.520 9.076 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.718 1.692 8.574 1.00 0.00 O flip ATOM 341 NE2 GLN A 66 5.095 3.663 9.423 1.00 0.00 N flip ATOM 0 H GLN A 66 1.241 0.794 6.207 1.00 0.00 H new ATOM 0 HA GLN A 66 2.348 3.211 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.952 0.781 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.603 0.528 7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.732 2.823 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.358 1.299 10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.372 4.272 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.052 4.004 9.329 1.00 0.00 H new ATOM 350 N ILE A 67 4.127 1.505 5.007 1.00 0.00 N ATOM 351 CA ILE A 67 5.280 1.532 4.108 1.00 0.00 C ATOM 352 C ILE A 67 5.089 2.584 3.000 1.00 0.00 C ATOM 353 O ILE A 67 6.054 3.014 2.367 1.00 0.00 O ATOM 354 CB ILE A 67 5.493 0.128 3.471 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.379 -0.743 4.361 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.093 0.221 2.075 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.449 -2.187 3.906 1.00 0.00 C ATOM 0 H ILE A 67 3.488 0.729 4.834 1.00 0.00 H new ATOM 0 HA ILE A 67 6.160 1.801 4.691 1.00 0.00 H new ATOM 0 HB ILE A 67 4.510 -0.334 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.386 -0.326 4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.001 -0.709 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.225 -0.782 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.425 0.790 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.060 0.721 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.094 -2.750 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.449 -2.620 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.855 -2.231 2.895 1.00 0.00 H new ATOM 369 N GLY A 68 3.833 2.978 2.764 1.00 0.00 N ATOM 370 CA GLY A 68 3.523 3.953 1.724 1.00 0.00 C ATOM 371 C GLY A 68 2.941 3.298 0.480 1.00 0.00 C ATOM 372 O GLY A 68 3.038 3.843 -0.620 1.00 0.00 O ATOM 0 H GLY A 68 3.021 2.636 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.815 4.684 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.429 4.497 1.456 1.00 0.00 H new ATOM 376 N THR A 69 2.342 2.118 0.657 1.00 0.00 N ATOM 377 CA THR A 69 1.748 1.364 -0.448 1.00 0.00 C ATOM 378 C THR A 69 0.248 1.622 -0.568 1.00 0.00 C ATOM 379 O THR A 69 -0.504 1.457 0.391 1.00 0.00 O ATOM 380 CB THR A 69 1.986 -0.139 -0.254 1.00 0.00 C ATOM 381 OG1 THR A 69 3.369 -0.429 -0.156 1.00 0.00 O ATOM 382 CG2 THR A 69 1.425 -0.987 -1.376 1.00 0.00 C ATOM 0 H THR A 69 2.256 1.661 1.565 1.00 0.00 H new ATOM 0 HA THR A 69 2.230 1.702 -1.366 1.00 0.00 H new ATOM 0 HB THR A 69 1.464 -0.388 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.499 -1.216 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.629 -2.039 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.348 -0.833 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.894 -0.701 -2.318 1.00 0.00 H new ATOM 390 N CYS A 70 -0.183 2.007 -1.763 1.00 0.00 N ATOM 391 CA CYS A 70 -1.580 2.261 -2.027 1.00 0.00 C ATOM 392 C CYS A 70 -2.274 0.974 -2.482 1.00 0.00 C ATOM 393 O CYS A 70 -1.865 0.342 -3.457 1.00 0.00 O ATOM 394 CB CYS A 70 -1.694 3.361 -3.080 1.00 0.00 C ATOM 395 SG CYS A 70 -1.754 2.777 -4.805 1.00 0.00 S ATOM 0 H CYS A 70 0.428 2.149 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.078 2.596 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.593 3.943 -2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.845 4.036 -2.971 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.759 1.477 -4.823 1.00 0.00 H new ATOM 400 N TRP A 71 -3.314 0.580 -1.757 1.00 0.00 N ATOM 401 CA TRP A 71 -4.055 -0.639 -2.073 1.00 0.00 C ATOM 402 C TRP A 71 -5.442 -0.293 -2.614 1.00 0.00 C ATOM 403 O TRP A 71 -6.347 0.051 -1.853 1.00 0.00 O ATOM 404 CB TRP A 71 -4.121 -1.543 -0.838 1.00 0.00 C ATOM 405 CG TRP A 71 -2.753 -1.972 -0.394 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.031 -1.472 0.648 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.932 -2.975 -1.002 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.806 -2.079 0.705 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.724 -3.016 -0.290 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.105 -3.840 -2.079 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.310 -3.887 -0.628 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.085 -4.709 -2.414 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.111 -4.727 -1.692 1.00 0.00 C ATOM 0 H TRP A 71 -3.665 1.087 -0.944 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.535 -1.191 -2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.619 -1.014 -0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.724 -2.423 -1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.375 -0.708 1.329 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.072 -1.867 1.380 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.025 -3.832 -2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.235 -3.899 -0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.214 -5.385 -3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.893 -5.415 -1.978 1.00 0.00 H new ATOM 424 N PRO A 72 -5.605 -0.346 -3.956 1.00 0.00 N ATOM 425 CA PRO A 72 -6.865 -0.004 -4.647 1.00 0.00 C ATOM 426 C PRO A 72 -8.088 -0.795 -4.169 1.00 0.00 C ATOM 427 O PRO A 72 -7.992 -1.651 -3.292 1.00 0.00 O ATOM 428 CB PRO A 72 -6.568 -0.319 -6.123 1.00 0.00 C ATOM 429 CG PRO A 72 -5.339 -1.162 -6.109 1.00 0.00 C ATOM 430 CD PRO A 72 -4.552 -0.712 -4.918 1.00 0.00 C ATOM 0 HA PRO A 72 -7.135 1.034 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.401 -0.847 -6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.411 0.595 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.591 -2.220 -6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.766 -1.034 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.910 -1.504 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.907 0.134 -5.155 1.00 0.00 H new ATOM 438 N GLN A 73 -9.244 -0.484 -4.767 1.00 0.00 N ATOM 439 CA GLN A 73 -10.510 -1.142 -4.426 1.00 0.00 C ATOM 440 C GLN A 73 -10.405 -2.665 -4.529 1.00 0.00 C ATOM 441 O GLN A 73 -9.609 -3.196 -5.306 1.00 0.00 O ATOM 442 CB GLN A 73 -11.632 -0.641 -5.349 1.00 0.00 C ATOM 443 CG GLN A 73 -12.673 0.228 -4.652 1.00 0.00 C ATOM 444 CD GLN A 73 -14.079 -0.331 -4.754 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.866 0.096 -5.594 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.407 -1.289 -3.896 1.00 0.00 N ATOM 0 H GLN A 73 -9.328 0.225 -5.495 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.742 -0.888 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.188 -0.072 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.132 -1.501 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.405 0.332 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.653 1.227 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.725 -1.617 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.341 -1.697 -3.920 1.00 0.00 H new ATOM 455 N SER A 74 -11.229 -3.357 -3.746 1.00 0.00 N ATOM 456 CA SER A 74 -11.261 -4.822 -3.739 1.00 0.00 C ATOM 457 C SER A 74 -12.528 -5.331 -3.045 1.00 0.00 C ATOM 458 O SER A 74 -13.485 -4.576 -2.863 1.00 0.00 O ATOM 459 CB SER A 74 -10.009 -5.392 -3.065 1.00 0.00 C ATOM 460 OG SER A 74 -9.810 -6.743 -3.442 1.00 0.00 O ATOM 0 H SER A 74 -11.890 -2.924 -3.101 1.00 0.00 H new ATOM 0 HA SER A 74 -11.275 -5.166 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.138 -4.799 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.109 -5.322 -1.982 1.00 0.00 H new ATOM 0 HG SER A 74 -9.393 -6.777 -4.328 1.00 0.00 H new ATOM 466 N ALA A 75 -12.543 -6.603 -2.663 1.00 0.00 N ATOM 467 CA ALA A 75 -13.716 -7.181 -2.002 1.00 0.00 C ATOM 468 C ALA A 75 -13.336 -8.335 -1.065 1.00 0.00 C ATOM 469 O ALA A 75 -12.160 -8.688 -0.950 1.00 0.00 O ATOM 470 CB ALA A 75 -14.709 -7.641 -3.061 1.00 0.00 C ATOM 0 H ALA A 75 -11.767 -7.251 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.177 -6.414 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.585 -8.072 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.014 -6.789 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.240 -8.391 -3.698 1.00 0.00 H new ATOM 476 N PRO A 76 -14.327 -8.944 -0.369 1.00 0.00 N ATOM 477 CA PRO A 76 -14.065 -10.058 0.551 1.00 0.00 C ATOM 478 C PRO A 76 -13.424 -11.247 -0.158 1.00 0.00 C ATOM 479 O PRO A 76 -13.760 -11.553 -1.304 1.00 0.00 O ATOM 480 CB PRO A 76 -15.449 -10.439 1.087 1.00 0.00 C ATOM 481 CG PRO A 76 -16.421 -9.838 0.132 1.00 0.00 C ATOM 482 CD PRO A 76 -15.761 -8.604 -0.416 1.00 0.00 C ATOM 0 HA PRO A 76 -13.365 -9.773 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.566 -11.521 1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.600 -10.054 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.664 -10.537 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.356 -9.589 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.091 -8.388 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.987 -7.724 0.187 1.00 0.00 H new ATOM 490 N GLY A 77 -12.495 -11.907 0.530 1.00 0.00 N ATOM 491 CA GLY A 77 -11.808 -13.055 -0.049 1.00 0.00 C ATOM 492 C GLY A 77 -11.113 -12.722 -1.363 1.00 0.00 C ATOM 493 O GLY A 77 -11.126 -13.524 -2.298 1.00 0.00 O ATOM 0 H GLY A 77 -12.204 -11.669 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.072 -13.429 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.527 -13.857 -0.216 1.00 0.00 H new ATOM 497 N ALA A 78 -10.514 -11.531 -1.435 1.00 0.00 N ATOM 498 CA ALA A 78 -9.820 -11.084 -2.643 1.00 0.00 C ATOM 499 C ALA A 78 -8.306 -11.012 -2.433 1.00 0.00 C ATOM 500 O ALA A 78 -7.813 -10.209 -1.632 1.00 0.00 O ATOM 501 CB ALA A 78 -10.361 -9.732 -3.087 1.00 0.00 C ATOM 0 H ALA A 78 -10.496 -10.858 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.006 -11.819 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.838 -9.408 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.427 -9.818 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.206 -9.000 -2.294 1.00 0.00 H new ATOM 507 N LEU A 79 -7.577 -11.853 -3.163 1.00 0.00 N ATOM 508 CA LEU A 79 -6.119 -11.899 -3.075 1.00 0.00 C ATOM 509 C LEU A 79 -5.479 -10.756 -3.865 1.00 0.00 C ATOM 510 O LEU A 79 -5.180 -10.893 -5.052 1.00 0.00 O ATOM 511 CB LEU A 79 -5.610 -13.255 -3.582 1.00 0.00 C ATOM 512 CG LEU A 79 -4.125 -13.530 -3.346 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.827 -13.636 -1.859 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.705 -14.803 -4.062 1.00 0.00 C ATOM 0 H LEU A 79 -7.976 -12.517 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.834 -11.778 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.189 -14.044 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.808 -13.321 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.552 -12.695 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.765 -13.832 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.094 -12.701 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.408 -14.451 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.645 -14.987 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.287 -15.643 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.881 -14.694 -5.132 1.00 0.00 H new ATOM 526 N VAL A 80 -5.268 -9.632 -3.189 1.00 0.00 N ATOM 527 CA VAL A 80 -4.656 -8.459 -3.809 1.00 0.00 C ATOM 528 C VAL A 80 -3.129 -8.503 -3.657 1.00 0.00 C ATOM 529 O VAL A 80 -2.598 -8.311 -2.559 1.00 0.00 O ATOM 530 CB VAL A 80 -5.211 -7.156 -3.189 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.403 -5.951 -3.636 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.678 -6.976 -3.547 1.00 0.00 C ATOM 0 H VAL A 80 -5.513 -9.507 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.905 -8.472 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.126 -7.237 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.816 -5.049 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.366 -6.072 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.446 -5.866 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.051 -6.054 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.784 -6.925 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.252 -7.821 -3.166 1.00 0.00 H new ATOM 542 N GLU A 81 -2.428 -8.780 -4.758 1.00 0.00 N ATOM 543 CA GLU A 81 -0.965 -8.875 -4.734 1.00 0.00 C ATOM 544 C GLU A 81 -0.295 -7.844 -5.650 1.00 0.00 C ATOM 545 O GLU A 81 -0.913 -7.307 -6.571 1.00 0.00 O ATOM 546 CB GLU A 81 -0.529 -10.290 -5.135 1.00 0.00 C ATOM 547 CG GLU A 81 -0.418 -10.501 -6.642 1.00 0.00 C ATOM 548 CD GLU A 81 -0.839 -11.891 -7.076 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.053 -12.168 -7.073 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.047 -12.706 -7.417 1.00 0.00 O ATOM 0 H GLU A 81 -2.846 -8.942 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.643 -8.659 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.436 -10.506 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.242 -11.008 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.036 -9.763 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.612 -10.325 -6.954 1.00 0.00 H new ATOM 557 N ARG A 82 0.990 -7.591 -5.387 1.00 0.00 N ATOM 558 CA ARG A 82 1.785 -6.646 -6.176 1.00 0.00 C ATOM 559 C ARG A 82 3.254 -6.693 -5.742 1.00 0.00 C ATOM 560 O ARG A 82 3.540 -6.773 -4.548 1.00 0.00 O ATOM 561 CB ARG A 82 1.236 -5.221 -6.027 1.00 0.00 C ATOM 562 CG ARG A 82 1.607 -4.304 -7.183 1.00 0.00 C ATOM 563 CD ARG A 82 1.228 -2.861 -6.896 1.00 0.00 C ATOM 564 NE ARG A 82 2.313 -1.936 -7.244 1.00 0.00 N ATOM 565 CZ ARG A 82 2.382 -1.230 -8.375 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.443 -1.330 -9.298 1.00 0.00 N ATOM 567 NH2 ARG A 82 3.406 -0.423 -8.582 1.00 0.00 N ATOM 0 H ARG A 82 1.506 -8.032 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 82 1.718 -6.935 -7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.150 -5.265 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.610 -4.791 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.679 -4.369 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.104 -4.639 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.333 -2.601 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.982 -2.752 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 82 3.071 -1.824 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.649 -1.954 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.511 -0.783 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.141 -0.341 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.463 0.118 -9.445 1.00 0.00 H new ATOM 581 N PRO A 83 4.206 -6.655 -6.704 1.00 0.00 N ATOM 582 CA PRO A 83 5.643 -6.701 -6.420 1.00 0.00 C ATOM 583 C PRO A 83 6.022 -6.079 -5.070 1.00 0.00 C ATOM 584 O PRO A 83 5.692 -4.926 -4.789 1.00 0.00 O ATOM 585 CB PRO A 83 6.218 -5.892 -7.574 1.00 0.00 C ATOM 586 CG PRO A 83 5.306 -6.174 -8.729 1.00 0.00 C ATOM 587 CD PRO A 83 3.960 -6.565 -8.154 1.00 0.00 C ATOM 0 HA PRO A 83 6.018 -7.722 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.241 -4.828 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.242 -6.192 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.211 -5.295 -9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.707 -6.976 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.196 -5.822 -8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.613 -7.515 -8.560 1.00 0.00 H new ATOM 595 N CYS A 84 6.713 -6.863 -4.241 1.00 0.00 N ATOM 596 CA CYS A 84 7.140 -6.415 -2.909 1.00 0.00 C ATOM 597 C CYS A 84 7.884 -5.080 -2.967 1.00 0.00 C ATOM 598 O CYS A 84 8.968 -4.991 -3.553 1.00 0.00 O ATOM 599 CB CYS A 84 8.049 -7.460 -2.246 1.00 0.00 C ATOM 600 SG CYS A 84 7.539 -9.194 -2.494 1.00 0.00 S ATOM 0 H CYS A 84 6.992 -7.818 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 84 6.233 -6.285 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.061 -7.336 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.089 -7.258 -1.176 1.00 0.00 H new ATOM 605 N PRO A 85 7.331 -4.021 -2.336 1.00 0.00 N ATOM 606 CA PRO A 85 7.971 -2.699 -2.305 1.00 0.00 C ATOM 607 C PRO A 85 9.222 -2.694 -1.420 1.00 0.00 C ATOM 608 O PRO A 85 9.298 -1.975 -0.422 1.00 0.00 O ATOM 609 CB PRO A 85 6.883 -1.793 -1.726 1.00 0.00 C ATOM 610 CG PRO A 85 6.054 -2.700 -0.885 1.00 0.00 C ATOM 611 CD PRO A 85 6.056 -4.032 -1.588 1.00 0.00 C ATOM 0 HA PRO A 85 8.318 -2.379 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.313 -0.985 -1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.290 -1.330 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.468 -2.788 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.039 -2.316 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.012 -4.860 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.200 -4.136 -2.254 1.00 0.00 H new ATOM 619 N GLU A 86 10.192 -3.517 -1.802 1.00 0.00 N ATOM 620 CA GLU A 86 11.453 -3.647 -1.072 1.00 0.00 C ATOM 621 C GLU A 86 12.500 -2.643 -1.545 1.00 0.00 C ATOM 622 O GLU A 86 13.580 -2.534 -0.957 1.00 0.00 O ATOM 623 CB GLU A 86 12.003 -5.051 -1.283 1.00 0.00 C ATOM 624 CG GLU A 86 11.738 -5.985 -0.127 1.00 0.00 C ATOM 625 CD GLU A 86 10.839 -7.139 -0.503 1.00 0.00 C ATOM 626 OE1 GLU A 86 11.133 -7.818 -1.506 1.00 0.00 O ATOM 627 OE2 GLU A 86 9.846 -7.370 0.212 1.00 0.00 O ATOM 0 H GLU A 86 10.129 -4.114 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 86 11.247 -3.452 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.564 -5.472 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.078 -4.989 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.686 -6.375 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.281 -5.425 0.689 1.00 0.00 H new ATOM 634 N TYR A 87 12.196 -1.944 -2.630 1.00 0.00 N ATOM 635 CA TYR A 87 13.127 -0.986 -3.215 1.00 0.00 C ATOM 636 C TYR A 87 13.199 0.315 -2.411 1.00 0.00 C ATOM 637 O TYR A 87 12.855 1.391 -2.905 1.00 0.00 O ATOM 638 CB TYR A 87 12.740 -0.718 -4.672 1.00 0.00 C ATOM 639 CG TYR A 87 12.810 -1.947 -5.568 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.924 -3.239 -5.042 1.00 0.00 C ATOM 641 CD2 TYR A 87 12.761 -1.811 -6.950 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.986 -4.340 -5.870 1.00 0.00 C ATOM 643 CE2 TYR A 87 12.823 -2.914 -7.780 1.00 0.00 C ATOM 644 CZ TYR A 87 12.935 -4.172 -7.236 1.00 0.00 C ATOM 645 OH TYR A 87 13.001 -5.271 -8.058 1.00 0.00 O ATOM 0 H TYR A 87 11.308 -2.022 -3.126 1.00 0.00 H new ATOM 0 HA TYR A 87 14.126 -1.421 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.726 -0.318 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.398 0.051 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.964 -3.376 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.673 -0.826 -7.383 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.074 -5.331 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.784 -2.789 -8.852 1.00 0.00 H new ATOM 0 HH TYR A 87 13.378 -6.028 -7.563 1.00 0.00 H new ATOM 655 N PHE A 88 13.678 0.203 -1.173 1.00 0.00 N ATOM 656 CA PHE A 88 13.829 1.360 -0.292 1.00 0.00 C ATOM 657 C PHE A 88 15.296 1.813 -0.230 1.00 0.00 C ATOM 658 O PHE A 88 15.721 2.446 0.741 1.00 0.00 O ATOM 659 CB PHE A 88 13.322 1.019 1.112 1.00 0.00 C ATOM 660 CG PHE A 88 11.869 1.329 1.317 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.451 2.629 1.548 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.923 0.320 1.279 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.114 2.917 1.738 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.584 0.601 1.469 1.00 0.00 C ATOM 665 CZ PHE A 88 9.179 1.902 1.699 1.00 0.00 C ATOM 0 H PHE A 88 13.969 -0.681 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 88 13.236 2.180 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.489 -0.041 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.910 1.571 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.179 3.426 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.235 -0.698 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.800 3.935 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.855 -0.195 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.133 2.124 1.848 1.00 0.00 H new ATOM 675 N ASN A 89 16.063 1.478 -1.272 1.00 0.00 N ATOM 676 CA ASN A 89 17.481 1.838 -1.353 1.00 0.00 C ATOM 677 C ASN A 89 18.109 1.293 -2.639 1.00 0.00 C ATOM 678 O ASN A 89 18.684 2.045 -3.426 1.00 0.00 O ATOM 679 CB ASN A 89 18.239 1.303 -0.131 1.00 0.00 C ATOM 680 CG ASN A 89 18.937 2.407 0.637 1.00 0.00 C ATOM 681 OD1 ASN A 89 20.153 2.561 0.555 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.171 3.184 1.385 1.00 0.00 N ATOM 0 H ASN A 89 15.721 0.954 -2.077 1.00 0.00 H new ATOM 0 HA ASN A 89 17.554 2.925 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.542 0.787 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.975 0.567 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.587 3.945 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.165 3.022 1.425 1.00 0.00 H new ATOM 689 N GLY A 90 17.986 -0.020 -2.841 1.00 0.00 N ATOM 690 CA GLY A 90 18.540 -0.654 -4.031 1.00 0.00 C ATOM 691 C GLY A 90 18.798 -2.137 -3.835 1.00 0.00 C ATOM 692 O GLY A 90 19.946 -2.584 -3.868 1.00 0.00 O ATOM 0 H GLY A 90 17.512 -0.657 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.853 -0.516 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.473 -0.159 -4.301 1.00 0.00 H new ATOM 696 N ILE A 91 17.729 -2.903 -3.626 1.00 0.00 N ATOM 697 CA ILE A 91 17.845 -4.349 -3.416 1.00 0.00 C ATOM 698 C ILE A 91 16.749 -5.109 -4.170 1.00 0.00 C ATOM 699 O ILE A 91 15.750 -4.523 -4.586 1.00 0.00 O ATOM 700 CB ILE A 91 17.770 -4.733 -1.914 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.824 -3.495 -1.000 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.886 -5.703 -1.559 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.221 -2.949 -0.780 1.00 0.00 C ATOM 0 H ILE A 91 16.773 -2.549 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 91 18.824 -4.631 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 91 16.809 -5.219 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 91 17.203 -2.710 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.389 -3.751 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.820 -5.963 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.788 -6.606 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.851 -5.236 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.173 -2.078 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.843 -3.716 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.653 -2.659 -1.738 1.00 0.00 H new ATOM 715 N LYS A 92 16.945 -6.421 -4.336 1.00 0.00 N ATOM 716 CA LYS A 92 15.979 -7.277 -5.038 1.00 0.00 C ATOM 717 C LYS A 92 15.873 -6.892 -6.516 1.00 0.00 C ATOM 718 O LYS A 92 14.833 -6.440 -6.997 1.00 0.00 O ATOM 719 CB LYS A 92 14.606 -7.215 -4.361 1.00 0.00 C ATOM 720 CG LYS A 92 14.409 -8.283 -3.295 1.00 0.00 C ATOM 721 CD LYS A 92 14.196 -7.666 -1.922 1.00 0.00 C ATOM 722 CE LYS A 92 15.513 -7.327 -1.246 1.00 0.00 C ATOM 723 NZ LYS A 92 15.333 -6.338 -0.145 1.00 0.00 N ATOM 0 H LYS A 92 17.768 -6.917 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 92 16.341 -8.304 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.476 -6.232 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.830 -7.321 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.551 -8.903 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.280 -8.938 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.594 -6.763 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.633 -8.358 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.961 -8.237 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.208 -6.926 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.264 -6.005 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.777 -5.530 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.832 -6.788 0.648 1.00 0.00 H new ATOM 737 N TYR A 93 16.966 -7.092 -7.234 1.00 0.00 N ATOM 738 CA TYR A 93 17.033 -6.780 -8.663 1.00 0.00 C ATOM 739 C TYR A 93 16.408 -7.912 -9.490 1.00 0.00 C ATOM 740 O TYR A 93 17.025 -8.449 -10.409 1.00 0.00 O ATOM 741 CB TYR A 93 18.497 -6.525 -9.061 1.00 0.00 C ATOM 742 CG TYR A 93 19.310 -5.891 -7.946 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.274 -4.519 -7.725 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.082 -6.670 -7.091 1.00 0.00 C ATOM 745 CE1 TYR A 93 19.991 -3.944 -6.690 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.795 -6.102 -6.051 1.00 0.00 C ATOM 747 CZ TYR A 93 20.747 -4.740 -5.856 1.00 0.00 C ATOM 748 OH TYR A 93 21.454 -4.172 -4.821 1.00 0.00 O ATOM 0 H TYR A 93 17.831 -7.473 -6.850 1.00 0.00 H new ATOM 0 HA TYR A 93 16.459 -5.876 -8.868 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.960 -7.469 -9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.523 -5.876 -9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.677 -3.892 -8.371 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.126 -7.739 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.958 -2.875 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.386 -6.724 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 93 20.835 -3.713 -4.215 1.00 0.00 H new ATOM 758 N ASN A 94 15.169 -8.260 -9.132 1.00 0.00 N ATOM 759 CA ASN A 94 14.408 -9.323 -9.794 1.00 0.00 C ATOM 760 C ASN A 94 13.073 -9.530 -9.072 1.00 0.00 C ATOM 761 O ASN A 94 12.015 -9.536 -9.697 1.00 0.00 O ATOM 762 CB ASN A 94 15.204 -10.634 -9.801 1.00 0.00 C ATOM 763 CG ASN A 94 14.921 -11.486 -11.024 1.00 0.00 C ATOM 764 OD1 ASN A 94 13.665 -11.867 -11.212 1.00 0.00 O flip ATOM 765 ND2 ASN A 94 15.823 -11.803 -11.793 1.00 0.00 N flip ATOM 0 H ASN A 94 14.663 -7.809 -8.370 1.00 0.00 H new ATOM 0 HA ASN A 94 14.221 -9.026 -10.826 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.269 -10.407 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.965 -11.204 -8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.778 -11.491 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.618 -12.379 -12.610 1.00 0.00 H new ATOM 772 N THR A 95 13.154 -9.678 -7.744 1.00 0.00 N ATOM 773 CA THR A 95 11.984 -9.865 -6.876 1.00 0.00 C ATOM 774 C THR A 95 10.840 -10.616 -7.565 1.00 0.00 C ATOM 775 O THR A 95 9.773 -10.049 -7.806 1.00 0.00 O ATOM 776 CB THR A 95 11.480 -8.505 -6.364 1.00 0.00 C ATOM 777 OG1 THR A 95 12.331 -7.455 -6.783 1.00 0.00 O ATOM 778 CG2 THR A 95 11.386 -8.428 -4.854 1.00 0.00 C ATOM 0 H THR A 95 14.039 -9.671 -7.238 1.00 0.00 H new ATOM 0 HA THR A 95 12.312 -10.481 -6.039 1.00 0.00 H new ATOM 0 HB THR A 95 10.481 -8.400 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.794 -6.736 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.024 -7.442 -4.562 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.695 -9.190 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.371 -8.597 -4.419 1.00 0.00 H new ATOM 786 N THR A 96 11.046 -11.900 -7.851 1.00 0.00 N ATOM 787 CA THR A 96 10.003 -12.714 -8.481 1.00 0.00 C ATOM 788 C THR A 96 8.932 -13.090 -7.451 1.00 0.00 C ATOM 789 O THR A 96 8.681 -14.273 -7.195 1.00 0.00 O ATOM 790 CB THR A 96 10.605 -13.977 -9.115 1.00 0.00 C ATOM 791 OG1 THR A 96 11.783 -14.374 -8.435 1.00 0.00 O ATOM 792 CG2 THR A 96 10.963 -13.803 -10.576 1.00 0.00 C ATOM 0 H THR A 96 11.916 -12.397 -7.660 1.00 0.00 H new ATOM 0 HA THR A 96 9.538 -12.126 -9.272 1.00 0.00 H new ATOM 0 HB THR A 96 9.826 -14.735 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.147 -15.181 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.383 -14.732 -10.961 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.067 -13.547 -11.142 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.697 -13.004 -10.678 1.00 0.00 H new ATOM 800 N ARG A 97 8.317 -12.066 -6.850 1.00 0.00 N ATOM 801 CA ARG A 97 7.281 -12.249 -5.835 1.00 0.00 C ATOM 802 C ARG A 97 6.379 -11.013 -5.756 1.00 0.00 C ATOM 803 O ARG A 97 6.554 -10.060 -6.520 1.00 0.00 O ATOM 804 CB ARG A 97 7.929 -12.516 -4.477 1.00 0.00 C ATOM 805 CG ARG A 97 8.283 -13.976 -4.251 1.00 0.00 C ATOM 806 CD ARG A 97 9.769 -14.217 -4.442 1.00 0.00 C ATOM 807 NE ARG A 97 10.137 -15.609 -4.186 1.00 0.00 N ATOM 808 CZ ARG A 97 10.073 -16.589 -5.080 1.00 0.00 C ATOM 809 NH1 ARG A 97 9.577 -16.379 -6.286 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.504 -17.790 -4.754 1.00 0.00 N ATOM 0 H ARG A 97 8.525 -11.089 -7.055 1.00 0.00 H new ATOM 0 HA ARG A 97 6.666 -13.105 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.833 -11.913 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.251 -12.189 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.991 -14.272 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.719 -14.601 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.052 -13.949 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.331 -13.565 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 97 10.468 -15.845 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.236 -15.453 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.535 -17.143 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.882 -17.961 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.459 -18.550 -5.433 1.00 0.00 H new ATOM 824 N ASN A 98 5.409 -11.025 -4.841 1.00 0.00 N ATOM 825 CA ASN A 98 4.491 -9.889 -4.709 1.00 0.00 C ATOM 826 C ASN A 98 3.889 -9.771 -3.306 1.00 0.00 C ATOM 827 O ASN A 98 3.632 -10.769 -2.634 1.00 0.00 O ATOM 828 CB ASN A 98 3.362 -9.995 -5.748 1.00 0.00 C ATOM 829 CG ASN A 98 3.065 -11.424 -6.171 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.148 -12.354 -5.373 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.714 -11.604 -7.432 1.00 0.00 N ATOM 0 H ASN A 98 5.239 -11.792 -4.191 1.00 0.00 H new ATOM 0 HA ASN A 98 5.080 -8.989 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.456 -9.550 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.632 -9.412 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.501 -12.541 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.656 -10.806 -8.064 1.00 0.00 H new ATOM 838 N ALA A 99 3.641 -8.531 -2.888 1.00 0.00 N ATOM 839 CA ALA A 99 3.045 -8.249 -1.587 1.00 0.00 C ATOM 840 C ALA A 99 1.583 -8.704 -1.560 1.00 0.00 C ATOM 841 O ALA A 99 0.676 -7.955 -1.932 1.00 0.00 O ATOM 842 CB ALA A 99 3.157 -6.760 -1.272 1.00 0.00 C ATOM 0 H ALA A 99 3.847 -7.698 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 99 3.587 -8.805 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.709 -6.559 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.207 -6.470 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.634 -6.186 -2.037 1.00 0.00 H new ATOM 848 N TYR A 100 1.369 -9.949 -1.136 1.00 0.00 N ATOM 849 CA TYR A 100 0.029 -10.523 -1.074 1.00 0.00 C ATOM 850 C TYR A 100 -0.774 -9.941 0.080 1.00 0.00 C ATOM 851 O TYR A 100 -0.613 -10.345 1.233 1.00 0.00 O ATOM 852 CB TYR A 100 0.104 -12.042 -0.933 1.00 0.00 C ATOM 853 CG TYR A 100 0.206 -12.766 -2.251 1.00 0.00 C ATOM 854 CD1 TYR A 100 -0.866 -12.787 -3.130 1.00 0.00 C ATOM 855 CD2 TYR A 100 1.374 -13.419 -2.623 1.00 0.00 C ATOM 856 CE1 TYR A 100 -0.777 -13.435 -4.344 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.466 -14.074 -3.835 1.00 0.00 C ATOM 858 CZ TYR A 100 0.388 -14.076 -4.690 1.00 0.00 C ATOM 859 OH TYR A 100 0.479 -14.710 -5.904 1.00 0.00 O ATOM 0 H TYR A 100 2.110 -10.580 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.478 -10.271 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.967 -12.299 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.781 -12.393 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.785 -12.288 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.222 -13.414 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.619 -13.439 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.379 -14.582 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 100 0.715 -14.058 -6.597 1.00 0.00 H new ATOM 869 N ARG A 101 -1.646 -9.003 -0.248 1.00 0.00 N ATOM 870 CA ARG A 101 -2.500 -8.356 0.741 1.00 0.00 C ATOM 871 C ARG A 101 -3.964 -8.731 0.510 1.00 0.00 C ATOM 872 O ARG A 101 -4.733 -7.965 -0.069 1.00 0.00 O ATOM 873 CB ARG A 101 -2.314 -6.835 0.685 1.00 0.00 C ATOM 874 CG ARG A 101 -0.918 -6.383 1.066 1.00 0.00 C ATOM 875 CD ARG A 101 -0.927 -5.594 2.362 1.00 0.00 C ATOM 876 NE ARG A 101 0.057 -4.520 2.357 1.00 0.00 N ATOM 877 CZ ARG A 101 1.371 -4.698 2.474 1.00 0.00 C ATOM 878 NH1 ARG A 101 1.887 -5.910 2.525 1.00 0.00 N ATOM 879 NH2 ARG A 101 2.169 -3.655 2.532 1.00 0.00 N ATOM 0 H ARG A 101 -1.784 -8.668 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.213 -8.703 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.538 -6.486 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.035 -6.364 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.269 -7.252 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.502 -5.769 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.920 -5.174 2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.725 -6.266 3.196 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.285 -3.564 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.277 -6.726 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.896 -6.031 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.781 -2.713 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.176 -3.788 2.622 1.00 0.00 H new ATOM 893 N GLU A 102 -4.339 -9.927 0.958 1.00 0.00 N ATOM 894 CA GLU A 102 -5.709 -10.422 0.794 1.00 0.00 C ATOM 895 C GLU A 102 -6.697 -9.674 1.698 1.00 0.00 C ATOM 896 O GLU A 102 -6.323 -9.167 2.758 1.00 0.00 O ATOM 897 CB GLU A 102 -5.759 -11.922 1.093 1.00 0.00 C ATOM 898 CG GLU A 102 -6.584 -12.719 0.093 1.00 0.00 C ATOM 899 CD GLU A 102 -7.682 -13.523 0.752 1.00 0.00 C ATOM 900 OE1 GLU A 102 -7.362 -14.525 1.424 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.858 -13.149 0.594 1.00 0.00 O ATOM 0 H GLU A 102 -3.714 -10.574 1.439 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.006 -10.244 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.742 -12.315 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.171 -12.071 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.025 -12.037 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.928 -13.392 -0.459 1.00 0.00 H new ATOM 908 N CYS A 103 -7.961 -9.617 1.272 1.00 0.00 N ATOM 909 CA CYS A 103 -9.011 -8.941 2.047 1.00 0.00 C ATOM 910 C CYS A 103 -9.739 -9.938 2.955 1.00 0.00 C ATOM 911 O CYS A 103 -9.621 -11.149 2.783 1.00 0.00 O ATOM 912 CB CYS A 103 -10.017 -8.239 1.116 1.00 0.00 C ATOM 913 SG CYS A 103 -9.799 -6.427 1.014 1.00 0.00 S ATOM 0 H CYS A 103 -8.285 -10.029 0.397 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.533 -8.185 2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.926 -8.662 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.028 -8.454 1.463 1.00 0.00 H new ATOM 918 N LEU A 104 -10.490 -9.417 3.923 1.00 0.00 N ATOM 919 CA LEU A 104 -11.236 -10.257 4.863 1.00 0.00 C ATOM 920 C LEU A 104 -12.346 -11.044 4.156 1.00 0.00 C ATOM 921 O LEU A 104 -12.630 -10.826 2.978 1.00 0.00 O ATOM 922 CB LEU A 104 -11.835 -9.393 5.981 1.00 0.00 C ATOM 923 CG LEU A 104 -11.285 -9.667 7.382 1.00 0.00 C ATOM 924 CD1 LEU A 104 -11.538 -8.479 8.295 1.00 0.00 C ATOM 925 CD2 LEU A 104 -11.908 -10.924 7.966 1.00 0.00 C ATOM 0 H LEU A 104 -10.599 -8.415 4.079 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.539 -10.975 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.663 -8.344 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.914 -9.544 5.996 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.209 -9.821 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.140 -8.692 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.045 -7.596 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.610 -8.296 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.504 -11.101 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.989 -10.798 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.679 -11.775 7.325 1.00 0.00 H new ATOM 937 N GLU A 105 -12.969 -11.957 4.895 1.00 0.00 N ATOM 938 CA GLU A 105 -14.053 -12.787 4.366 1.00 0.00 C ATOM 939 C GLU A 105 -15.359 -11.996 4.284 1.00 0.00 C ATOM 940 O GLU A 105 -16.120 -12.136 3.328 1.00 0.00 O ATOM 941 CB GLU A 105 -14.249 -14.026 5.247 1.00 0.00 C ATOM 942 CG GLU A 105 -13.777 -15.321 4.603 1.00 0.00 C ATOM 943 CD GLU A 105 -13.495 -16.412 5.617 1.00 0.00 C ATOM 944 OE1 GLU A 105 -14.423 -16.778 6.370 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.348 -16.902 5.658 1.00 0.00 O ATOM 0 H GLU A 105 -12.741 -12.144 5.871 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.777 -13.102 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.713 -13.881 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.306 -14.120 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.535 -15.670 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.874 -15.126 4.025 1.00 0.00 H new ATOM 952 N ASN A 106 -15.610 -11.161 5.295 1.00 0.00 N ATOM 953 CA ASN A 106 -16.825 -10.343 5.336 1.00 0.00 C ATOM 954 C ASN A 106 -16.838 -9.319 4.196 1.00 0.00 C ATOM 955 O ASN A 106 -17.879 -9.075 3.583 1.00 0.00 O ATOM 956 CB ASN A 106 -16.945 -9.632 6.688 1.00 0.00 C ATOM 957 CG ASN A 106 -17.023 -10.603 7.851 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.002 -11.042 8.374 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.234 -10.945 8.263 1.00 0.00 N ATOM 0 H ASN A 106 -14.990 -11.033 6.095 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.681 -11.005 5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.087 -8.974 6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.834 -9.001 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.343 -11.595 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.058 -10.558 7.802 1.00 0.00 H new ATOM 966 N GLY A 107 -15.673 -8.732 3.913 1.00 0.00 N ATOM 967 CA GLY A 107 -15.572 -7.751 2.842 1.00 0.00 C ATOM 968 C GLY A 107 -14.849 -6.489 3.257 1.00 0.00 C ATOM 969 O GLY A 107 -15.376 -5.388 3.100 1.00 0.00 O ATOM 0 H GLY A 107 -14.800 -8.919 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.051 -8.199 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.574 -7.492 2.499 1.00 0.00 H new ATOM 973 N THR A 108 -13.636 -6.652 3.777 1.00 0.00 N ATOM 974 CA THR A 108 -12.815 -5.519 4.215 1.00 0.00 C ATOM 975 C THR A 108 -11.330 -5.871 4.134 1.00 0.00 C ATOM 976 O THR A 108 -10.973 -7.042 4.019 1.00 0.00 O ATOM 977 CB THR A 108 -13.163 -5.122 5.657 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.864 -6.177 6.555 1.00 0.00 O ATOM 979 CG2 THR A 108 -14.617 -4.763 5.859 1.00 0.00 C ATOM 0 H THR A 108 -13.194 -7.562 3.907 1.00 0.00 H new ATOM 0 HA THR A 108 -13.024 -4.679 3.552 1.00 0.00 H new ATOM 0 HB THR A 108 -12.557 -4.238 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.091 -5.904 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.784 -4.494 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.875 -3.918 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.242 -5.618 5.600 1.00 0.00 H new ATOM 987 N TRP A 109 -10.460 -4.866 4.223 1.00 0.00 N ATOM 988 CA TRP A 109 -9.021 -5.120 4.187 1.00 0.00 C ATOM 989 C TRP A 109 -8.614 -5.958 5.400 1.00 0.00 C ATOM 990 O TRP A 109 -9.256 -5.896 6.452 1.00 0.00 O ATOM 991 CB TRP A 109 -8.229 -3.808 4.163 1.00 0.00 C ATOM 992 CG TRP A 109 -8.130 -3.187 2.798 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.677 -2.003 2.394 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.438 -3.717 1.660 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.366 -1.764 1.076 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.607 -2.802 0.605 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.690 -4.878 1.430 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.058 -3.009 -0.656 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.146 -5.082 0.175 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.332 -4.152 -0.853 1.00 0.00 C ATOM 0 H TRP A 109 -10.720 -3.884 4.319 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.791 -5.669 3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.700 -3.097 4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -7.224 -3.994 4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.268 -1.349 3.019 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.654 -0.947 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.541 -5.601 2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.200 -2.293 -1.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.568 -5.974 -0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.894 -4.340 -1.822 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.556 -6.748 5.249 1.00 0.00 N ATOM 1012 CA ALA A 110 -7.082 -7.604 6.335 1.00 0.00 C ATOM 1013 C ALA A 110 -6.204 -6.834 7.326 1.00 0.00 C ATOM 1014 O ALA A 110 -5.480 -5.911 6.950 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.330 -8.801 5.768 1.00 0.00 C ATOM 0 H ALA A 110 -7.011 -6.815 4.389 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.954 -7.959 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.981 -9.432 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.995 -9.376 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.475 -8.452 5.189 1.00 0.00 H new ATOM 1021 N SER A 111 -6.279 -7.226 8.599 1.00 0.00 N ATOM 1022 CA SER A 111 -5.494 -6.579 9.658 1.00 0.00 C ATOM 1023 C SER A 111 -4.003 -6.904 9.535 1.00 0.00 C ATOM 1024 O SER A 111 -3.155 -6.089 9.891 1.00 0.00 O ATOM 1025 CB SER A 111 -6.003 -7.006 11.038 1.00 0.00 C ATOM 1026 OG SER A 111 -7.205 -6.331 11.369 1.00 0.00 O ATOM 0 H SER A 111 -6.874 -7.988 8.924 1.00 0.00 H new ATOM 0 HA SER A 111 -5.618 -5.502 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.172 -8.083 11.050 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.244 -6.794 11.791 1.00 0.00 H new ATOM 0 HG SER A 111 -7.511 -6.622 12.254 1.00 0.00 H new ATOM 1032 N ARG A 112 -3.689 -8.098 9.034 1.00 0.00 N ATOM 1033 CA ARG A 112 -2.300 -8.521 8.868 1.00 0.00 C ATOM 1034 C ARG A 112 -2.067 -9.081 7.470 1.00 0.00 C ATOM 1035 O ARG A 112 -2.989 -9.595 6.835 1.00 0.00 O ATOM 1036 CB ARG A 112 -1.929 -9.572 9.918 1.00 0.00 C ATOM 1037 CG ARG A 112 -3.018 -10.603 10.168 1.00 0.00 C ATOM 1038 CD ARG A 112 -2.677 -11.505 11.341 1.00 0.00 C ATOM 1039 NE ARG A 112 -3.883 -11.908 12.074 1.00 0.00 N ATOM 1040 CZ ARG A 112 -4.206 -11.496 13.299 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -3.419 -10.676 13.973 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -5.328 -11.911 13.849 1.00 0.00 N ATOM 0 H ARG A 112 -4.378 -8.789 8.736 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.664 -7.646 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.022 -10.086 9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.697 -9.068 10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.963 -10.095 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.159 -11.208 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.155 -12.391 10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.996 -10.986 12.015 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.523 -12.553 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.548 -10.348 13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.683 -10.371 14.910 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -5.943 -12.544 13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.582 -11.600 14.787 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.831 -8.973 6.992 1.00 0.00 N ATOM 1057 CA VAL A 113 -0.480 -9.459 5.670 1.00 0.00 C ATOM 1058 C VAL A 113 0.562 -10.584 5.738 1.00 0.00 C ATOM 1059 O VAL A 113 0.995 -10.981 6.823 1.00 0.00 O ATOM 1060 CB VAL A 113 0.065 -8.318 4.789 1.00 0.00 C ATOM 1061 CG1 VAL A 113 -0.468 -8.457 3.378 1.00 0.00 C ATOM 1062 CG2 VAL A 113 -0.296 -6.948 5.350 1.00 0.00 C ATOM 0 H VAL A 113 -0.057 -8.551 7.505 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.394 -9.855 5.227 1.00 0.00 H new ATOM 0 HB VAL A 113 1.152 -8.395 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.079 -7.647 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.152 -9.414 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.557 -8.410 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.107 -6.171 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.380 -6.851 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.127 -6.841 6.349 1.00 0.00 H new ATOM 1072 N ASN A 114 0.955 -11.094 4.567 1.00 0.00 N ATOM 1073 CA ASN A 114 1.940 -12.169 4.480 1.00 0.00 C ATOM 1074 C ASN A 114 3.232 -11.681 3.817 1.00 0.00 C ATOM 1075 O ASN A 114 3.273 -11.465 2.603 1.00 0.00 O ATOM 1076 CB ASN A 114 1.362 -13.348 3.689 1.00 0.00 C ATOM 1077 CG ASN A 114 2.288 -14.548 3.676 1.00 0.00 C ATOM 1078 OD1 ASN A 114 3.158 -14.668 2.816 1.00 0.00 O ATOM 1079 ND2 ASN A 114 2.113 -15.442 4.637 1.00 0.00 N ATOM 0 H ASN A 114 0.603 -10.776 3.664 1.00 0.00 H new ATOM 0 HA ASN A 114 2.177 -12.494 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.404 -13.637 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.167 -13.033 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.712 -16.266 4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.379 -15.306 5.332 1.00 0.00 H new ATOM 1086 N TYR A 115 4.288 -11.524 4.613 1.00 0.00 N ATOM 1087 CA TYR A 115 5.586 -11.078 4.090 1.00 0.00 C ATOM 1088 C TYR A 115 6.628 -12.206 4.165 1.00 0.00 C ATOM 1089 O TYR A 115 7.831 -11.945 4.185 1.00 0.00 O ATOM 1090 CB TYR A 115 6.098 -9.834 4.849 1.00 0.00 C ATOM 1091 CG TYR A 115 5.036 -9.068 5.609 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.657 -9.452 6.888 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.422 -7.955 5.050 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.695 -8.750 7.588 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.461 -7.245 5.746 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.101 -7.648 7.014 1.00 0.00 C ATOM 1097 OH TYR A 115 2.147 -6.943 7.712 1.00 0.00 O ATOM 0 H TYR A 115 4.275 -11.697 5.618 1.00 0.00 H new ATOM 0 HA TYR A 115 5.440 -10.807 3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.871 -10.147 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.570 -9.160 4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.122 -10.314 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.700 -7.639 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.410 -9.064 8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.995 -6.379 5.299 1.00 0.00 H new ATOM 0 HH TYR A 115 2.484 -6.736 8.608 1.00 0.00 H new ATOM 1107 N SER A 116 6.160 -13.460 4.206 1.00 0.00 N ATOM 1108 CA SER A 116 7.052 -14.626 4.283 1.00 0.00 C ATOM 1109 C SER A 116 7.912 -14.768 3.024 1.00 0.00 C ATOM 1110 O SER A 116 9.041 -15.253 3.089 1.00 0.00 O ATOM 1111 CB SER A 116 6.242 -15.907 4.504 1.00 0.00 C ATOM 1112 OG SER A 116 6.154 -16.222 5.885 1.00 0.00 O ATOM 0 H SER A 116 5.167 -13.694 4.187 1.00 0.00 H new ATOM 0 HA SER A 116 7.718 -14.468 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.241 -15.784 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.709 -16.733 3.968 1.00 0.00 H new ATOM 0 HG SER A 116 5.631 -17.043 6.001 1.00 0.00 H new ATOM 1118 N HIS A 117 7.375 -14.337 1.883 1.00 0.00 N ATOM 1119 CA HIS A 117 8.103 -14.408 0.616 1.00 0.00 C ATOM 1120 C HIS A 117 8.921 -13.118 0.407 1.00 0.00 C ATOM 1121 O HIS A 117 9.331 -12.487 1.381 1.00 0.00 O ATOM 1122 CB HIS A 117 7.128 -14.665 -0.551 1.00 0.00 C ATOM 1123 CG HIS A 117 5.938 -13.769 -0.577 1.00 0.00 C ATOM 1124 ND1 HIS A 117 4.800 -13.987 0.172 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.707 -12.659 -1.294 1.00 0.00 C ATOM 1126 CE1 HIS A 117 3.922 -13.040 -0.090 1.00 0.00 C ATOM 1127 NE2 HIS A 117 4.446 -12.218 -0.981 1.00 0.00 N ATOM 0 H HIS A 117 6.440 -13.936 1.810 1.00 0.00 H new ATOM 0 HA HIS A 117 8.801 -15.245 0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.670 -14.554 -1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.786 -15.699 -0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.390 -12.196 -1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.940 -12.951 0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.990 -11.393 -1.371 1.00 0.00 H new ATOM 1136 N CYS A 118 9.168 -12.729 -0.850 1.00 0.00 N ATOM 1137 CA CYS A 118 9.943 -11.515 -1.148 1.00 0.00 C ATOM 1138 C CYS A 118 11.433 -11.711 -0.840 1.00 0.00 C ATOM 1139 O CYS A 118 12.110 -10.789 -0.377 1.00 0.00 O ATOM 1140 CB CYS A 118 9.393 -10.321 -0.351 1.00 0.00 C ATOM 1141 SG CYS A 118 7.619 -9.987 -0.627 1.00 0.00 S ATOM 0 H CYS A 118 8.845 -13.234 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 118 9.843 -11.311 -2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.556 -10.502 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.964 -9.430 -0.613 1.00 0.00 H new ATOM 1146 N GLU A 119 11.937 -12.920 -1.101 1.00 0.00 N ATOM 1147 CA GLU A 119 13.346 -13.249 -0.849 1.00 0.00 C ATOM 1148 C GLU A 119 14.299 -12.374 -1.677 1.00 0.00 C ATOM 1149 O GLU A 119 13.872 -11.649 -2.580 1.00 0.00 O ATOM 1150 CB GLU A 119 13.603 -14.735 -1.131 1.00 0.00 C ATOM 1151 CG GLU A 119 13.427 -15.130 -2.591 1.00 0.00 C ATOM 1152 CD GLU A 119 12.678 -16.436 -2.758 1.00 0.00 C ATOM 1153 OE1 GLU A 119 11.533 -16.529 -2.263 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.219 -17.362 -3.396 1.00 0.00 O ATOM 0 H GLU A 119 11.391 -13.690 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 119 13.547 -13.043 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.617 -14.983 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.926 -15.332 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.891 -14.339 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.407 -15.216 -3.061 1.00 0.00 H new ATOM 1161 N PRO A 120 15.614 -12.415 -1.360 1.00 0.00 N ATOM 1162 CA PRO A 120 16.629 -11.625 -2.052 1.00 0.00 C ATOM 1163 C PRO A 120 17.189 -12.315 -3.302 1.00 0.00 C ATOM 1164 O PRO A 120 16.736 -13.391 -3.696 1.00 0.00 O ATOM 1165 CB PRO A 120 17.735 -11.457 -0.993 1.00 0.00 C ATOM 1166 CG PRO A 120 17.366 -12.353 0.157 1.00 0.00 C ATOM 1167 CD PRO A 120 16.221 -13.218 -0.298 1.00 0.00 C ATOM 0 HA PRO A 120 16.216 -10.686 -2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.708 -11.731 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.807 -10.419 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.216 -12.967 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.079 -11.763 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.565 -14.184 -0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.518 -13.418 0.511 1.00 0.00 H new ATOM 1175 N ILE A 121 18.184 -11.676 -3.912 1.00 0.00 N ATOM 1176 CA ILE A 121 18.830 -12.202 -5.117 1.00 0.00 C ATOM 1177 C ILE A 121 20.354 -12.181 -4.982 1.00 0.00 C ATOM 1178 O ILE A 121 20.895 -11.597 -4.040 1.00 0.00 O ATOM 1179 CB ILE A 121 18.419 -11.406 -6.382 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.127 -10.044 -6.440 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.911 -11.219 -6.428 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.860 -9.160 -5.241 1.00 0.00 C ATOM 0 H ILE A 121 18.565 -10.786 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 121 18.493 -13.233 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 121 18.729 -11.984 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.201 -10.208 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.811 -9.520 -7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.641 -10.658 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.424 -12.194 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.585 -10.671 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.395 -8.217 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.791 -8.963 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.202 -9.662 -4.336 1.00 0.00 H new ATOM 1260 N GLU B 230 21.151 -2.621 4.881 1.00 0.00 N ATOM 1261 CA GLU B 230 20.182 -1.767 4.189 1.00 0.00 C ATOM 1262 C GLU B 230 18.850 -2.478 3.949 1.00 0.00 C ATOM 1263 O GLU B 230 17.786 -1.923 4.245 1.00 0.00 O ATOM 1264 CB GLU B 230 20.762 -1.288 2.854 1.00 0.00 C ATOM 1265 CG GLU B 230 21.260 0.150 2.883 1.00 0.00 C ATOM 1266 CD GLU B 230 20.167 1.147 3.213 1.00 0.00 C ATOM 1267 OE1 GLU B 230 20.430 2.196 3.803 1.00 0.00 O ATOM 0 HA GLU B 230 19.986 -0.912 4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.586 -1.943 2.570 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.999 -1.383 2.082 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.059 0.238 3.619 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.691 0.399 1.914 1.00 0.00 H new ATOM 1274 N ALA B 231 18.904 -3.692 3.408 1.00 0.00 N ATOM 1275 CA ALA B 231 17.694 -4.460 3.123 1.00 0.00 C ATOM 1276 C ALA B 231 16.968 -4.903 4.398 1.00 0.00 C ATOM 1277 O ALA B 231 15.754 -5.128 4.368 1.00 0.00 O ATOM 1278 CB ALA B 231 18.026 -5.656 2.246 1.00 0.00 C ATOM 0 H ALA B 231 19.772 -4.166 3.158 1.00 0.00 H new ATOM 0 HA ALA B 231 17.010 -3.803 2.586 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.116 -6.220 2.041 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.458 -5.310 1.307 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.742 -6.297 2.760 1.00 0.00 H new ATOM 1284 N HIS B 232 17.694 -5.021 5.519 1.00 0.00 N ATOM 1285 CA HIS B 232 17.071 -5.427 6.779 1.00 0.00 C ATOM 1286 C HIS B 232 16.016 -4.409 7.198 1.00 0.00 C ATOM 1287 O HIS B 232 14.886 -4.783 7.519 1.00 0.00 O ATOM 1288 CB HIS B 232 18.120 -5.597 7.883 1.00 0.00 C ATOM 1289 CG HIS B 232 17.588 -6.191 9.153 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.248 -6.430 9.388 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.238 -6.593 10.265 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.102 -6.955 10.592 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.296 -7.066 11.146 1.00 0.00 N ATOM 0 H HIS B 232 18.697 -4.844 5.576 1.00 0.00 H new ATOM 0 HA HIS B 232 16.587 -6.391 6.624 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.925 -6.230 7.509 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.557 -4.624 8.106 1.00 0.00 H new ATOM 0 HD1 HIS B 232 15.490 -6.232 8.735 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.304 -6.551 10.432 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.166 -7.244 11.046 1.00 0.00 H new ATOM 1302 N LYS B 233 16.377 -3.124 7.164 1.00 0.00 N ATOM 1303 CA LYS B 233 15.434 -2.065 7.510 1.00 0.00 C ATOM 1304 C LYS B 233 14.302 -2.038 6.484 1.00 0.00 C ATOM 1305 O LYS B 233 13.141 -1.826 6.832 1.00 0.00 O ATOM 1306 CB LYS B 233 16.144 -0.702 7.598 1.00 0.00 C ATOM 1307 CG LYS B 233 16.246 0.045 6.276 1.00 0.00 C ATOM 1308 CD LYS B 233 17.524 0.865 6.194 1.00 0.00 C ATOM 1309 CE LYS B 233 17.667 1.549 4.843 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.060 0.609 3.794 1.00 0.00 N ATOM 0 H LYS B 233 17.307 -2.797 6.903 1.00 0.00 H new ATOM 0 HA LYS B 233 15.011 -2.270 8.493 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.612 -0.076 8.314 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.149 -0.855 7.992 1.00 0.00 H new ATOM 0 HG2 LYS B 233 16.217 -0.667 5.452 1.00 0.00 H new ATOM 0 HG3 LYS B 233 15.384 0.702 6.161 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.526 1.616 6.984 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.384 0.218 6.367 1.00 0.00 H new ATOM 0 HE2 LYS B 233 16.722 2.020 4.573 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.410 2.343 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 17.902 1.043 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 19.067 0.372 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.490 -0.257 3.873 1.00 0.00 H new ATOM 1322 N ASN B 234 14.648 -2.294 5.217 1.00 0.00 N ATOM 1323 CA ASN B 234 13.654 -2.335 4.148 1.00 0.00 C ATOM 1324 C ASN B 234 12.577 -3.375 4.471 1.00 0.00 C ATOM 1325 O ASN B 234 11.388 -3.054 4.520 1.00 0.00 O ATOM 1326 CB ASN B 234 14.324 -2.668 2.806 1.00 0.00 C ATOM 1327 CG ASN B 234 15.389 -1.665 2.380 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.288 -0.425 2.844 1.00 0.00 O flip ATOM 1329 ND2 ASN B 234 16.299 -2.004 1.630 1.00 0.00 N flip ATOM 0 H ASN B 234 15.604 -2.474 4.912 1.00 0.00 H new ATOM 0 HA ASN B 234 13.186 -1.354 4.069 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.777 -3.657 2.873 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.558 -2.720 2.032 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.349 -2.965 1.291 1.00 0.00 H new ATOM 0 HD22 ASN B 234 17.005 -1.325 1.346 1.00 0.00 H new ATOM 1336 N ARG B 235 13.002 -4.620 4.702 1.00 0.00 N ATOM 1337 CA ARG B 235 12.072 -5.700 5.030 1.00 0.00 C ATOM 1338 C ARG B 235 11.436 -5.484 6.410 1.00 0.00 C ATOM 1339 O ARG B 235 10.231 -5.684 6.579 1.00 0.00 O ATOM 1340 CB ARG B 235 12.776 -7.058 4.970 1.00 0.00 C ATOM 1341 CG ARG B 235 12.335 -7.912 3.796 1.00 0.00 C ATOM 1342 CD ARG B 235 12.862 -7.361 2.481 1.00 0.00 C ATOM 1343 NE ARG B 235 13.170 -8.429 1.521 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.054 -9.401 1.740 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.815 -9.392 2.819 1.00 0.00 N ATOM 1346 NH2 ARG B 235 14.182 -10.380 0.872 1.00 0.00 N ATOM 0 H ARG B 235 13.981 -4.903 4.668 1.00 0.00 H new ATOM 0 HA ARG B 235 11.275 -5.691 4.286 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.853 -6.899 4.910 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.585 -7.600 5.896 1.00 0.00 H new ATOM 0 HG2 ARG B 235 12.691 -8.933 3.933 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.246 -7.955 3.764 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.123 -6.687 2.048 1.00 0.00 H new ATOM 0 HD3 ARG B 235 13.760 -6.772 2.668 1.00 0.00 H new ATOM 0 HE ARG B 235 12.675 -8.426 0.629 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.730 -8.635 3.497 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.488 -10.142 2.975 1.00 0.00 H new ATOM 0 HH21 ARG B 235 13.605 -10.395 0.031 1.00 0.00 H new ATOM 0 HH22 ARG B 235 14.859 -11.125 1.039 1.00 0.00 H new ATOM 1360 N LYS B 236 12.247 -5.046 7.384 1.00 0.00 N ATOM 1361 CA LYS B 236 11.764 -4.770 8.741 1.00 0.00 C ATOM 1362 C LYS B 236 10.579 -3.791 8.708 1.00 0.00 C ATOM 1363 O LYS B 236 9.758 -3.747 9.634 1.00 0.00 O ATOM 1364 CB LYS B 236 12.911 -4.205 9.584 1.00 0.00 C ATOM 1365 CG LYS B 236 12.628 -4.185 11.073 1.00 0.00 C ATOM 1366 CD LYS B 236 11.947 -2.892 11.476 1.00 0.00 C ATOM 1367 CE LYS B 236 10.926 -3.121 12.579 1.00 0.00 C ATOM 1368 NZ LYS B 236 9.558 -3.364 12.036 1.00 0.00 N ATOM 0 H LYS B 236 13.244 -4.875 7.254 1.00 0.00 H new ATOM 0 HA LYS B 236 11.415 -5.699 9.191 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.808 -4.797 9.403 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.127 -3.190 9.252 1.00 0.00 H new ATOM 0 HG2 LYS B 236 11.996 -5.032 11.339 1.00 0.00 H new ATOM 0 HG3 LYS B 236 13.560 -4.298 11.626 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.695 -2.175 11.814 1.00 0.00 H new ATOM 0 HD3 LYS B 236 11.455 -2.453 10.608 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.232 -3.974 13.184 1.00 0.00 H new ATOM 0 HE3 LYS B 236 10.905 -2.254 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 8.905 -2.644 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 9.582 -3.309 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 9.232 -4.308 12.326 1.00 0.00 H new ATOM 1382 N LEU B 237 10.494 -3.019 7.624 1.00 0.00 N ATOM 1383 CA LEU B 237 9.416 -2.055 7.424 1.00 0.00 C ATOM 1384 C LEU B 237 8.123 -2.757 6.968 1.00 0.00 C ATOM 1385 O LEU B 237 7.029 -2.212 7.123 1.00 0.00 O ATOM 1386 CB LEU B 237 9.851 -1.019 6.378 1.00 0.00 C ATOM 1387 CG LEU B 237 9.655 0.446 6.771 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.197 0.725 7.083 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.536 0.804 7.956 1.00 0.00 C ATOM 0 H LEU B 237 11.171 -3.046 6.861 1.00 0.00 H new ATOM 0 HA LEU B 237 9.210 -1.557 8.372 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.906 -1.177 6.154 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.298 -1.206 5.457 1.00 0.00 H new ATOM 0 HG LEU B 237 9.948 1.070 5.927 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.078 1.772 7.360 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.589 0.511 6.204 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.874 0.092 7.910 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.382 1.850 8.221 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.277 0.173 8.806 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.582 0.646 7.693 1.00 0.00 H new ATOM 1420 N GLU B 239 6.902 -5.976 7.988 1.00 0.00 N ATOM 1421 CA GLU B 239 6.189 -6.549 9.132 1.00 0.00 C ATOM 1422 C GLU B 239 5.326 -5.489 9.822 1.00 0.00 C ATOM 1423 O GLU B 239 4.296 -5.808 10.418 1.00 0.00 O ATOM 1424 CB GLU B 239 7.171 -7.179 10.129 1.00 0.00 C ATOM 1425 CG GLU B 239 8.321 -6.265 10.531 1.00 0.00 C ATOM 1426 CD GLU B 239 8.794 -6.505 11.952 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.254 -7.626 12.248 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.714 -5.558 12.768 1.00 0.00 O ATOM 0 HA GLU B 239 5.532 -7.335 8.759 1.00 0.00 H new ATOM 0 HB2 GLU B 239 6.624 -7.473 11.025 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.581 -8.090 9.693 1.00 0.00 H new ATOM 0 HG2 GLU B 239 9.155 -6.415 9.845 1.00 0.00 H new ATOM 0 HG3 GLU B 239 8.007 -5.226 10.428 1.00 0.00 H new ATOM 1435 N ILE B 240 5.739 -4.220 9.706 1.00 0.00 N ATOM 1436 CA ILE B 240 4.991 -3.107 10.290 1.00 0.00 C ATOM 1437 C ILE B 240 3.582 -3.021 9.698 1.00 0.00 C ATOM 1438 O ILE B 240 2.655 -2.545 10.354 1.00 0.00 O ATOM 1439 CB ILE B 240 5.701 -1.755 10.052 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.088 -1.746 10.683 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.865 -0.611 10.606 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.824 -0.439 10.483 1.00 0.00 C ATOM 0 H ILE B 240 6.587 -3.942 9.212 1.00 0.00 H new ATOM 0 HA ILE B 240 4.934 -3.301 11.361 1.00 0.00 H new ATOM 0 HB ILE B 240 5.815 -1.620 8.976 1.00 0.00 H new ATOM 0 HG12 ILE B 240 6.996 -1.944 11.751 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.679 -2.557 10.258 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.379 0.334 10.430 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.895 -0.595 10.108 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.720 -0.752 11.677 1.00 0.00 H new ATOM 0 HD11 ILE B 240 8.804 -0.498 10.956 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.946 -0.250 9.417 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.252 0.373 10.933 1.00 0.00 H new ATOM 1454 N ILE B 241 3.427 -3.476 8.454 1.00 0.00 N ATOM 1455 CA ILE B 241 2.126 -3.435 7.788 1.00 0.00 C ATOM 1456 C ILE B 241 1.138 -4.397 8.445 1.00 0.00 C ATOM 1457 O ILE B 241 0.097 -3.985 8.956 1.00 0.00 O ATOM 1458 CB ILE B 241 2.231 -3.772 6.283 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.319 -2.938 5.598 1.00 0.00 C ATOM 1460 CG2 ILE B 241 0.892 -3.531 5.610 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.281 -1.470 5.964 1.00 0.00 C ATOM 0 H ILE B 241 4.179 -3.874 7.892 1.00 0.00 H new ATOM 0 HA ILE B 241 1.763 -2.412 7.891 1.00 0.00 H new ATOM 0 HB ILE B 241 2.505 -4.823 6.188 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.296 -3.344 5.862 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.214 -3.037 4.518 1.00 0.00 H new ATOM 0 HG21 ILE B 241 0.970 -3.770 4.549 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.134 -4.165 6.070 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.609 -2.485 5.727 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.080 -0.944 5.441 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.319 -1.048 5.675 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.417 -1.360 7.040 1.00 0.00 H new