USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 590 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 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.74! C(o=-4.7!,f=-8.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0875 USER MOD Single : A 39 THR OG1 : rot -175:sc= -1.71 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00814 USER MOD Single : A 52 TYR OH : rot -14:sc= -3.13! USER MOD Single : A 53 THR OG1 : rot -167:sc= 0.199 USER MOD Single : A 55 GLN : amide:sc= -0.744 K(o=-0.74,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= 0.0237 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= 0.343 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 153:sc= -0.0682 (180deg=-0.475) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.652 F(o=-2.3!,f=-0.65) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.0018) USER MOD Single : A 74 THR OG1 : rot -91:sc= 0.0212 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.97 K(o=-2,f=-2.7!) USER MOD Single : A 87 TYR OH : rot 150:sc= -0.106 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 SER OG : rot 128:sc= 1.19 USER MOD Single : A 95 ASN : amide:sc= -1.5! C(o=-1.5!,f=-11!) USER MOD Single : A 100 SER OG : rot -126:sc= 0.941 USER MOD Single : A 104 THR OG1 : rot 166:sc= 0.517 USER MOD Single : A 105 MET CE :methyl -126:sc= -2.23 (180deg=-4.81!) USER MOD Single : A 106 THR OG1 : rot 106:sc= 1.28 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.353 -12.521 -3.573 1.00 0.00 N ATOM 224 CA GLY A 19 -14.448 -11.071 -3.594 1.00 0.00 C ATOM 225 C GLY A 19 -13.060 -10.431 -3.512 1.00 0.00 C ATOM 226 O GLY A 19 -12.056 -11.130 -3.385 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.948 -10.749 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.060 -10.731 -2.759 1.00 0.00 H new ATOM 230 N PRO A 20 -13.049 -9.073 -3.587 1.00 0.00 N ATOM 231 CA PRO A 20 -11.801 -8.330 -3.522 1.00 0.00 C ATOM 232 C PRO A 20 -11.262 -8.290 -2.091 1.00 0.00 C ATOM 233 O PRO A 20 -11.938 -8.717 -1.156 1.00 0.00 O ATOM 234 CB PRO A 20 -12.135 -6.953 -4.070 1.00 0.00 C ATOM 235 CG PRO A 20 -13.646 -6.826 -3.988 1.00 0.00 C ATOM 236 CD PRO A 20 -14.218 -8.212 -3.736 1.00 0.00 C ATOM 0 HA PRO A 20 -11.004 -8.793 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.646 -6.172 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.790 -6.848 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.929 -6.145 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.045 -6.411 -4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.838 -8.228 -2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.847 -8.538 -4.565 1.00 0.00 H new ATOM 241 N PRO A 21 -10.016 -7.758 -1.961 1.00 0.00 N ATOM 242 CA PRO A 21 -9.379 -7.655 -0.660 1.00 0.00 C ATOM 243 C PRO A 21 -9.988 -6.518 0.162 1.00 0.00 C ATOM 244 O PRO A 21 -10.429 -5.514 -0.394 1.00 0.00 O ATOM 245 CB PRO A 21 -7.903 -7.448 -0.960 1.00 0.00 C ATOM 246 CG PRO A 21 -7.834 -6.977 -2.404 1.00 0.00 C ATOM 247 CD PRO A 21 -9.187 -7.242 -3.046 1.00 0.00 C ATOM 0 HA PRO A 21 -9.527 -8.545 -0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.467 -6.710 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.343 -8.373 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.592 -5.915 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.047 -7.506 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.610 -6.331 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.105 -7.963 -3.859 1.00 0.00 H new ATOM 252 N GLN A 22 -9.992 -6.713 1.473 1.00 0.00 N ATOM 253 CA GLN A 22 -10.540 -5.716 2.376 1.00 0.00 C ATOM 254 C GLN A 22 -10.084 -4.316 1.961 1.00 0.00 C ATOM 255 O GLN A 22 -10.892 -3.391 1.893 1.00 0.00 O ATOM 256 CB GLN A 22 -10.147 -6.014 3.825 1.00 0.00 C ATOM 257 CG GLN A 22 -11.212 -6.867 4.517 1.00 0.00 C ATOM 258 CD GLN A 22 -11.465 -6.378 5.944 1.00 0.00 C ATOM 259 OE1 GLN A 22 -12.572 -6.031 6.322 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.380 -6.367 6.713 1.00 0.00 N ATOM 0 H GLN A 22 -9.624 -7.547 1.931 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.627 -5.756 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.189 -6.534 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.014 -5.079 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.140 -6.830 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.892 -7.909 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.483 -6.671 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.445 -6.055 7.682 1.00 0.00 H new ATOM 267 N ILE A 23 -8.791 -4.204 1.695 1.00 0.00 N ATOM 268 CA ILE A 23 -8.218 -2.933 1.288 1.00 0.00 C ATOM 269 C ILE A 23 -6.864 -3.179 0.619 1.00 0.00 C ATOM 270 O ILE A 23 -6.299 -4.266 0.734 1.00 0.00 O ATOM 271 CB ILE A 23 -8.151 -1.971 2.477 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.301 -0.520 2.016 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.868 -2.186 3.284 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.948 0.193 1.997 1.00 0.00 C ATOM 0 H ILE A 23 -8.124 -4.973 1.754 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.855 -2.447 0.549 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.989 -2.187 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.743 -0.495 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.985 0.008 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.845 -1.490 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.842 -3.209 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.003 -2.012 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.084 1.222 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.520 0.188 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.275 -0.323 1.312 1.00 0.00 H new ATOM 285 N VAL A 24 -6.381 -2.152 -0.064 1.00 0.00 N ATOM 286 CA VAL A 24 -5.104 -2.243 -0.752 1.00 0.00 C ATOM 287 C VAL A 24 -4.352 -0.920 -0.599 1.00 0.00 C ATOM 288 O VAL A 24 -4.836 0.126 -1.029 1.00 0.00 O ATOM 289 CB VAL A 24 -5.323 -2.641 -2.212 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.994 -2.713 -2.966 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.084 -3.965 -2.312 1.00 0.00 C ATOM 0 H VAL A 24 -6.851 -1.252 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.485 -3.022 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.933 -1.869 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.178 -2.998 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.507 -1.738 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.348 -3.454 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.226 -4.225 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.513 -4.751 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.056 -3.864 -1.828 1.00 0.00 H new ATOM 301 N LYS A 25 -3.181 -1.008 0.015 1.00 0.00 N ATOM 302 CA LYS A 25 -2.358 0.169 0.230 1.00 0.00 C ATOM 303 C LYS A 25 -0.964 -0.076 -0.351 1.00 0.00 C ATOM 304 O LYS A 25 -0.666 -1.174 -0.818 1.00 0.00 O ATOM 305 CB LYS A 25 -2.347 0.553 1.711 1.00 0.00 C ATOM 306 CG LYS A 25 -3.488 1.522 2.034 1.00 0.00 C ATOM 307 CD LYS A 25 -3.096 2.470 3.169 1.00 0.00 C ATOM 308 CE LYS A 25 -3.510 1.901 4.527 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.343 1.822 5.433 1.00 0.00 N ATOM 0 H LYS A 25 -2.783 -1.877 0.370 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.777 1.027 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.442 -0.343 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.392 1.013 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.743 2.099 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.379 0.960 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.019 2.636 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.570 3.440 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.281 2.530 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.944 0.910 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.641 1.434 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.620 1.203 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.947 2.773 5.572 1.00 0.00 H new ATOM 319 N ILE A 26 -0.146 0.965 -0.301 1.00 0.00 N ATOM 320 CA ILE A 26 1.209 0.877 -0.817 1.00 0.00 C ATOM 321 C ILE A 26 2.201 1.122 0.322 1.00 0.00 C ATOM 322 O ILE A 26 2.340 2.249 0.797 1.00 0.00 O ATOM 323 CB ILE A 26 1.394 1.821 -2.007 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.476 1.426 -3.166 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.861 1.885 -2.435 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.325 2.630 -3.666 1.00 0.00 C ATOM 0 H ILE A 26 -0.396 1.874 0.089 1.00 0.00 H new ATOM 0 HA ILE A 26 1.405 -0.124 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 26 1.107 2.825 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.071 1.016 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.206 0.640 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.964 2.563 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.467 2.248 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.200 0.890 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.969 2.322 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.937 3.023 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.360 3.405 -4.011 1.00 0.00 H new ATOM 337 N GLU A 27 2.865 0.051 0.728 1.00 0.00 N ATOM 338 CA GLU A 27 3.840 0.136 1.802 1.00 0.00 C ATOM 339 C GLU A 27 4.752 1.346 1.596 1.00 0.00 C ATOM 340 O GLU A 27 4.992 2.114 2.526 1.00 0.00 O ATOM 341 CB GLU A 27 4.655 -1.154 1.907 1.00 0.00 C ATOM 342 CG GLU A 27 4.461 -1.816 3.272 1.00 0.00 C ATOM 343 CD GLU A 27 5.588 -1.432 4.233 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.071 -0.286 4.113 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.940 -2.293 5.068 1.00 0.00 O ATOM 0 H GLU A 27 2.747 -0.882 0.332 1.00 0.00 H new ATOM 0 HA GLU A 27 3.305 0.265 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.354 -1.844 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.711 -0.934 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.501 -1.516 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.432 -2.899 3.154 1.00 0.00 H new ATOM 350 N ASP A 28 5.237 1.480 0.370 1.00 0.00 N ATOM 351 CA ASP A 28 6.119 2.584 0.029 1.00 0.00 C ATOM 352 C ASP A 28 6.657 2.382 -1.388 1.00 0.00 C ATOM 353 O ASP A 28 6.315 1.405 -2.053 1.00 0.00 O ATOM 354 CB ASP A 28 7.312 2.651 0.984 1.00 0.00 C ATOM 355 CG ASP A 28 7.694 4.058 1.445 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.265 5.014 0.764 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.407 4.147 2.467 1.00 0.00 O ATOM 0 H ASP A 28 5.036 0.842 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 28 5.546 3.509 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.089 2.045 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.175 2.198 0.495 1.00 0.00 H new ATOM 361 N VAL A 29 7.491 3.321 -1.810 1.00 0.00 N ATOM 362 CA VAL A 29 8.080 3.259 -3.136 1.00 0.00 C ATOM 363 C VAL A 29 9.483 3.868 -3.095 1.00 0.00 C ATOM 364 O VAL A 29 9.659 5.005 -2.660 1.00 0.00 O ATOM 365 CB VAL A 29 7.161 3.944 -4.150 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.662 5.289 -3.616 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.864 4.116 -5.498 1.00 0.00 C ATOM 0 H VAL A 29 7.773 4.130 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 29 8.184 2.223 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 29 6.294 3.302 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.011 5.755 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.106 5.130 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.513 5.941 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.189 4.605 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.757 4.727 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.147 3.138 -5.888 1.00 0.00 H new ATOM 377 N TRP A 30 10.447 3.083 -3.555 1.00 0.00 N ATOM 378 CA TRP A 30 11.830 3.530 -3.576 1.00 0.00 C ATOM 379 C TRP A 30 12.438 3.121 -4.918 1.00 0.00 C ATOM 380 O TRP A 30 11.939 2.211 -5.580 1.00 0.00 O ATOM 381 CB TRP A 30 12.603 2.978 -2.376 1.00 0.00 C ATOM 382 CG TRP A 30 12.669 1.450 -2.327 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.673 0.655 -2.718 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.641 0.561 -1.842 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.370 -0.677 -2.521 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.095 -0.736 -1.970 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.370 0.842 -1.311 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.342 -1.854 -1.591 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.629 -0.285 -0.936 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.072 -1.597 -1.060 1.00 0.00 C ATOM 0 H TRP A 30 10.298 2.141 -3.916 1.00 0.00 H new ATOM 0 HA TRP A 30 11.886 4.615 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.618 3.375 -2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.138 3.341 -1.459 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.603 1.011 -3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.971 -1.472 -2.739 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.995 1.849 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.720 -2.860 -1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.645 -0.124 -0.522 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.439 -2.415 -0.748 1.00 0.00 H new ATOM 400 N GLY A 31 13.508 3.812 -5.282 1.00 0.00 N ATOM 401 CA GLY A 31 14.191 3.532 -6.535 1.00 0.00 C ATOM 402 C GLY A 31 13.189 3.188 -7.640 1.00 0.00 C ATOM 403 O GLY A 31 12.318 3.994 -7.965 1.00 0.00 O ATOM 0 H GLY A 31 13.920 4.566 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.783 4.398 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.885 2.703 -6.398 1.00 0.00 H new ATOM 407 N GLU A 32 13.347 1.992 -8.186 1.00 0.00 N ATOM 408 CA GLU A 32 12.468 1.533 -9.248 1.00 0.00 C ATOM 409 C GLU A 32 11.650 0.327 -8.776 1.00 0.00 C ATOM 410 O GLU A 32 11.471 -0.635 -9.519 1.00 0.00 O ATOM 411 CB GLU A 32 13.263 1.195 -10.510 1.00 0.00 C ATOM 412 CG GLU A 32 13.868 2.456 -11.130 1.00 0.00 C ATOM 413 CD GLU A 32 14.430 2.166 -12.524 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.095 1.117 -12.661 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.181 3.001 -13.420 1.00 0.00 O ATOM 0 H GLU A 32 14.070 1.327 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 32 11.779 2.340 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.056 0.489 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.612 0.706 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.108 3.234 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.661 2.838 -10.487 1.00 0.00 H new ATOM 420 N ASN A 33 11.177 0.421 -7.542 1.00 0.00 N ATOM 421 CA ASN A 33 10.384 -0.650 -6.961 1.00 0.00 C ATOM 422 C ASN A 33 9.278 -0.046 -6.093 1.00 0.00 C ATOM 423 O ASN A 33 9.479 0.987 -5.457 1.00 0.00 O ATOM 424 CB ASN A 33 11.242 -1.552 -6.073 1.00 0.00 C ATOM 425 CG ASN A 33 12.194 -0.725 -5.207 1.00 0.00 C ATOM 426 OD1 ASN A 33 11.787 0.105 -4.411 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.481 -0.997 -5.405 1.00 0.00 N ATOM 0 H ASN A 33 11.327 1.222 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 33 9.966 -1.240 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.599 -2.158 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.815 -2.240 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.195 -0.498 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.754 -1.704 -6.087 1.00 0.00 H new ATOM 433 N VAL A 34 8.135 -0.716 -6.096 1.00 0.00 N ATOM 434 CA VAL A 34 6.998 -0.259 -5.316 1.00 0.00 C ATOM 435 C VAL A 34 6.601 -1.346 -4.316 1.00 0.00 C ATOM 436 O VAL A 34 6.716 -2.536 -4.608 1.00 0.00 O ATOM 437 CB VAL A 34 5.852 0.143 -6.248 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.496 -0.198 -5.628 1.00 0.00 C ATOM 439 CG2 VAL A 34 5.934 1.627 -6.609 1.00 0.00 C ATOM 0 H VAL A 34 7.972 -1.572 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 34 7.261 0.630 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 34 5.952 -0.431 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.699 0.098 -6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.438 -1.271 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.383 0.336 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.108 1.886 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.872 2.226 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.880 1.827 -7.112 1.00 0.00 H new ATOM 449 N ALA A 35 6.142 -0.899 -3.156 1.00 0.00 N ATOM 450 CA ALA A 35 5.727 -1.818 -2.110 1.00 0.00 C ATOM 451 C ALA A 35 4.209 -1.733 -1.934 1.00 0.00 C ATOM 452 O ALA A 35 3.682 -0.684 -1.567 1.00 0.00 O ATOM 453 CB ALA A 35 6.483 -1.498 -0.819 1.00 0.00 C ATOM 0 H ALA A 35 6.048 0.088 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 35 5.970 -2.845 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.171 -2.188 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.555 -1.602 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.262 -0.476 -0.512 1.00 0.00 H new ATOM 459 N LEU A 36 3.551 -2.850 -2.202 1.00 0.00 N ATOM 460 CA LEU A 36 2.104 -2.914 -2.078 1.00 0.00 C ATOM 461 C LEU A 36 1.740 -3.624 -0.773 1.00 0.00 C ATOM 462 O LEU A 36 2.515 -4.434 -0.265 1.00 0.00 O ATOM 463 CB LEU A 36 1.488 -3.559 -3.322 1.00 0.00 C ATOM 464 CG LEU A 36 1.276 -2.635 -4.522 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.441 -3.399 -5.838 1.00 0.00 C ATOM 466 CD2 LEU A 36 -0.076 -1.926 -4.437 1.00 0.00 C ATOM 0 H LEU A 36 3.992 -3.718 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 36 1.681 -1.911 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.128 -4.385 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.525 -3.989 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 36 2.045 -1.863 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.285 -2.719 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.446 -3.817 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.709 -4.206 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.201 -1.275 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.875 -2.667 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.117 -1.329 -3.526 1.00 0.00 H new ATOM 477 N THR A 37 0.561 -3.295 -0.267 1.00 0.00 N ATOM 478 CA THR A 37 0.084 -3.890 0.970 1.00 0.00 C ATOM 479 C THR A 37 -1.440 -4.017 0.949 1.00 0.00 C ATOM 480 O THR A 37 -2.152 -3.017 1.043 1.00 0.00 O ATOM 481 CB THR A 37 0.608 -3.045 2.134 1.00 0.00 C ATOM 482 OG1 THR A 37 0.610 -1.715 1.624 1.00 0.00 O ATOM 483 CG2 THR A 37 2.079 -3.327 2.447 1.00 0.00 C ATOM 0 H THR A 37 -0.079 -2.623 -0.691 1.00 0.00 H new ATOM 0 HA THR A 37 0.461 -4.906 1.091 1.00 0.00 H new ATOM 0 HB THR A 37 0.005 -3.237 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.935 -1.100 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.400 -2.702 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.199 -4.377 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.687 -3.104 1.570 1.00 0.00 H new ATOM 491 N TRP A 38 -1.897 -5.254 0.823 1.00 0.00 N ATOM 492 CA TRP A 38 -3.325 -5.525 0.789 1.00 0.00 C ATOM 493 C TRP A 38 -3.676 -6.373 2.013 1.00 0.00 C ATOM 494 O TRP A 38 -2.837 -7.120 2.515 1.00 0.00 O ATOM 495 CB TRP A 38 -3.725 -6.185 -0.532 1.00 0.00 C ATOM 496 CG TRP A 38 -3.044 -7.532 -0.785 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.491 -8.754 -0.467 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.769 -7.743 -1.427 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.600 -9.735 -0.855 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.519 -9.100 -1.457 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.857 -6.818 -1.964 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.361 -9.655 -2.015 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.297 -7.388 -2.517 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.563 -8.752 -2.556 1.00 0.00 C ATOM 0 H TRP A 38 -1.304 -6.080 0.743 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.895 -4.597 0.835 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.806 -6.328 -0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.485 -5.508 -1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.430 -8.948 0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.714 -10.740 -0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.032 -5.752 -1.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.190 -10.721 -2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.032 -6.721 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.478 -9.114 -3.001 1.00 0.00 H new ATOM 514 N THR A 39 -4.916 -6.229 2.456 1.00 0.00 N ATOM 515 CA THR A 39 -5.387 -6.973 3.612 1.00 0.00 C ATOM 516 C THR A 39 -6.081 -8.264 3.169 1.00 0.00 C ATOM 517 O THR A 39 -6.491 -8.388 2.016 1.00 0.00 O ATOM 518 CB THR A 39 -6.290 -6.049 4.433 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.253 -5.581 3.493 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.568 -4.781 4.890 1.00 0.00 C ATOM 0 H THR A 39 -5.608 -5.609 2.036 1.00 0.00 H new ATOM 0 HA THR A 39 -4.557 -7.287 4.245 1.00 0.00 H new ATOM 0 HB THR A 39 -6.665 -6.587 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.831 -4.915 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.253 -4.161 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.713 -5.052 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.222 -4.225 4.019 1.00 0.00 H new ATOM 528 N PRO A 40 -6.193 -9.215 4.133 1.00 0.00 N ATOM 529 CA PRO A 40 -6.829 -10.491 3.854 1.00 0.00 C ATOM 530 C PRO A 40 -8.349 -10.341 3.778 1.00 0.00 C ATOM 531 O PRO A 40 -8.898 -9.322 4.195 1.00 0.00 O ATOM 532 CB PRO A 40 -6.380 -11.410 4.980 1.00 0.00 C ATOM 533 CG PRO A 40 -5.890 -10.496 6.092 1.00 0.00 C ATOM 534 CD PRO A 40 -5.719 -9.103 5.509 1.00 0.00 C ATOM 0 HA PRO A 40 -6.542 -10.900 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.202 -12.037 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.587 -12.079 4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.604 -10.480 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.945 -10.859 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.296 -8.367 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.677 -8.784 5.544 1.00 0.00 H new ATOM 539 N PRO A 41 -9.004 -11.397 3.226 1.00 0.00 N ATOM 540 CA PRO A 41 -10.451 -11.392 3.089 1.00 0.00 C ATOM 541 C PRO A 41 -11.132 -11.631 4.438 1.00 0.00 C ATOM 542 O PRO A 41 -10.531 -12.203 5.347 1.00 0.00 O ATOM 543 CB PRO A 41 -10.754 -12.480 2.070 1.00 0.00 C ATOM 544 CG PRO A 41 -9.517 -13.362 2.023 1.00 0.00 C ATOM 545 CD PRO A 41 -8.388 -12.621 2.720 1.00 0.00 C ATOM 0 HA PRO A 41 -10.837 -10.430 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.633 -13.055 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.965 -12.050 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.709 -14.315 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.247 -13.585 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.965 -13.215 3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.575 -12.399 2.029 1.00 0.00 H new ATOM 550 N LYS A 42 -12.374 -11.181 4.527 1.00 0.00 N ATOM 551 CA LYS A 42 -13.142 -11.339 5.750 1.00 0.00 C ATOM 552 C LYS A 42 -13.981 -12.616 5.660 1.00 0.00 C ATOM 553 O LYS A 42 -14.590 -13.033 6.644 1.00 0.00 O ATOM 554 CB LYS A 42 -13.966 -10.081 6.032 1.00 0.00 C ATOM 555 CG LYS A 42 -13.282 -9.202 7.081 1.00 0.00 C ATOM 556 CD LYS A 42 -14.307 -8.351 7.835 1.00 0.00 C ATOM 557 CE LYS A 42 -14.811 -7.199 6.965 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.288 -7.223 6.876 1.00 0.00 N ATOM 0 H LYS A 42 -12.868 -10.706 3.772 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.476 -11.454 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.100 -9.515 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.960 -10.363 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.735 -9.829 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.551 -8.554 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.147 -8.974 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.856 -7.954 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.482 -6.248 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.380 -7.274 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.613 -6.434 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.596 -8.123 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.695 -7.129 7.829 1.00 0.00 H new ATOM 630 N ILE A 49 -7.676 -19.472 0.180 1.00 0.00 N ATOM 631 CA ILE A 49 -7.172 -18.381 -0.637 1.00 0.00 C ATOM 632 C ILE A 49 -5.789 -18.751 -1.178 1.00 0.00 C ATOM 633 O ILE A 49 -4.781 -18.557 -0.500 1.00 0.00 O ATOM 634 CB ILE A 49 -7.192 -17.069 0.150 1.00 0.00 C ATOM 635 CG1 ILE A 49 -8.625 -16.652 0.483 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.434 -15.970 -0.596 1.00 0.00 C ATOM 637 CD1 ILE A 49 -8.960 -16.956 1.945 1.00 0.00 C ATOM 0 HA ILE A 49 -7.820 -18.220 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.675 -17.230 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.751 -15.586 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.321 -17.178 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.464 -15.048 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.397 -16.276 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.900 -15.802 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.985 -16.650 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.857 -18.026 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.277 -16.410 2.596 1.00 0.00 H new ATOM 648 N THR A 50 -5.786 -19.278 -2.393 1.00 0.00 N ATOM 649 CA THR A 50 -4.544 -19.677 -3.033 1.00 0.00 C ATOM 650 C THR A 50 -3.500 -18.566 -2.912 1.00 0.00 C ATOM 651 O THR A 50 -2.388 -18.803 -2.443 1.00 0.00 O ATOM 652 CB THR A 50 -4.860 -20.059 -4.481 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.276 -21.419 -4.399 1.00 0.00 O ATOM 654 CG2 THR A 50 -3.609 -20.104 -5.360 1.00 0.00 C ATOM 0 H THR A 50 -6.624 -19.438 -2.952 1.00 0.00 H new ATOM 0 HA THR A 50 -4.107 -20.545 -2.540 1.00 0.00 H new ATOM 0 HB THR A 50 -5.571 -19.346 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.502 -21.747 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.889 -20.380 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.134 -19.123 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.912 -20.842 -4.963 1.00 0.00 H new ATOM 662 N GLY A 51 -3.896 -17.376 -3.341 1.00 0.00 N ATOM 663 CA GLY A 51 -3.008 -16.228 -3.285 1.00 0.00 C ATOM 664 C GLY A 51 -3.729 -14.955 -3.731 1.00 0.00 C ATOM 665 O GLY A 51 -4.921 -14.790 -3.472 1.00 0.00 O ATOM 0 H GLY A 51 -4.820 -17.183 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.635 -16.102 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.142 -16.402 -3.923 1.00 0.00 H new ATOM 669 N TYR A 52 -2.978 -14.088 -4.394 1.00 0.00 N ATOM 670 CA TYR A 52 -3.532 -12.835 -4.878 1.00 0.00 C ATOM 671 C TYR A 52 -2.737 -12.312 -6.077 1.00 0.00 C ATOM 672 O TYR A 52 -1.532 -12.088 -5.978 1.00 0.00 O ATOM 673 CB TYR A 52 -3.400 -11.841 -3.722 1.00 0.00 C ATOM 674 CG TYR A 52 -4.088 -12.292 -2.432 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.464 -13.198 -1.598 1.00 0.00 C ATOM 676 CD2 TYR A 52 -5.332 -11.794 -2.102 1.00 0.00 C ATOM 677 CE1 TYR A 52 -4.112 -13.623 -0.384 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.979 -12.219 -0.889 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.338 -13.112 -0.089 1.00 0.00 C ATOM 680 OH TYR A 52 -5.950 -13.514 1.057 1.00 0.00 O ATOM 0 H TYR A 52 -1.991 -14.228 -4.607 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.565 -12.970 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.342 -11.675 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.820 -10.883 -4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.490 -13.588 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.820 -11.085 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.635 -14.331 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.953 -11.837 -0.620 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.495 -14.306 1.410 1.00 0.00 H new ATOM 689 N THR A 53 -3.446 -12.132 -7.182 1.00 0.00 N ATOM 690 CA THR A 53 -2.822 -11.640 -8.399 1.00 0.00 C ATOM 691 C THR A 53 -2.694 -10.115 -8.353 1.00 0.00 C ATOM 692 O THR A 53 -3.659 -9.417 -8.047 1.00 0.00 O ATOM 693 CB THR A 53 -3.642 -12.146 -9.588 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.200 -13.489 -9.768 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.263 -11.451 -10.898 1.00 0.00 C ATOM 0 H THR A 53 -4.446 -12.318 -7.260 1.00 0.00 H new ATOM 0 HA THR A 53 -1.805 -12.017 -8.503 1.00 0.00 H new ATOM 0 HB THR A 53 -4.703 -11.993 -9.389 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.518 -13.825 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.874 -11.846 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.435 -10.379 -10.804 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.210 -11.632 -11.115 1.00 0.00 H new ATOM 703 N ILE A 54 -1.495 -9.645 -8.663 1.00 0.00 N ATOM 704 CA ILE A 54 -1.229 -8.217 -8.662 1.00 0.00 C ATOM 705 C ILE A 54 -1.070 -7.731 -10.104 1.00 0.00 C ATOM 706 O ILE A 54 -0.535 -8.445 -10.949 1.00 0.00 O ATOM 707 CB ILE A 54 -0.027 -7.898 -7.770 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.313 -8.263 -6.312 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.394 -6.435 -7.922 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.566 -9.428 -5.857 1.00 0.00 C ATOM 0 H ILE A 54 -0.697 -10.228 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.070 -7.673 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 54 0.813 -8.511 -8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.134 -7.397 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.364 -8.530 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.250 -6.234 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.667 -6.241 -8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.435 -5.787 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.343 -9.668 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.367 -10.299 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.616 -9.149 -5.948 1.00 0.00 H new ATOM 721 N GLN A 55 -1.547 -6.517 -10.341 1.00 0.00 N ATOM 722 CA GLN A 55 -1.466 -5.927 -11.666 1.00 0.00 C ATOM 723 C GLN A 55 -1.102 -4.444 -11.565 1.00 0.00 C ATOM 724 O GLN A 55 -1.736 -3.695 -10.823 1.00 0.00 O ATOM 725 CB GLN A 55 -2.775 -6.120 -12.434 1.00 0.00 C ATOM 726 CG GLN A 55 -2.951 -7.578 -12.860 1.00 0.00 C ATOM 727 CD GLN A 55 -4.280 -7.779 -13.591 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.015 -6.844 -13.864 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.546 -9.046 -13.893 1.00 0.00 N ATOM 0 H GLN A 55 -1.991 -5.927 -9.638 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.679 -6.437 -12.222 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.615 -5.816 -11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.783 -5.477 -13.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.127 -7.873 -13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.913 -8.224 -11.983 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.887 -9.781 -13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.409 -9.283 -14.382 1.00 0.00 H new ATOM 736 N LYS A 56 -0.083 -4.065 -12.320 1.00 0.00 N ATOM 737 CA LYS A 56 0.373 -2.685 -12.326 1.00 0.00 C ATOM 738 C LYS A 56 0.047 -2.049 -13.679 1.00 0.00 C ATOM 739 O LYS A 56 0.002 -2.738 -14.697 1.00 0.00 O ATOM 740 CB LYS A 56 1.854 -2.608 -11.952 1.00 0.00 C ATOM 741 CG LYS A 56 2.741 -2.985 -13.140 1.00 0.00 C ATOM 742 CD LYS A 56 4.149 -3.364 -12.677 1.00 0.00 C ATOM 743 CE LYS A 56 5.106 -3.476 -13.865 1.00 0.00 C ATOM 744 NZ LYS A 56 6.194 -4.433 -13.565 1.00 0.00 N ATOM 0 H LYS A 56 0.441 -4.690 -12.933 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.154 -2.107 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.096 -1.599 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.057 -3.277 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.295 -3.820 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.797 -2.148 -13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.519 -2.615 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.116 -4.313 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.560 -3.803 -14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.527 -2.497 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.649 -4.731 -14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.898 -3.976 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.801 -5.265 -13.081 1.00 0.00 H new ATOM 754 N ALA A 57 -0.172 -0.743 -13.646 1.00 0.00 N ATOM 755 CA ALA A 57 -0.491 -0.008 -14.858 1.00 0.00 C ATOM 756 C ALA A 57 -0.058 1.450 -14.693 1.00 0.00 C ATOM 757 O ALA A 57 0.019 1.957 -13.574 1.00 0.00 O ATOM 758 CB ALA A 57 -1.985 -0.141 -15.157 1.00 0.00 C ATOM 0 H ALA A 57 -0.135 -0.175 -12.800 1.00 0.00 H new ATOM 0 HA ALA A 57 0.050 -0.419 -15.710 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.225 0.410 -16.066 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.237 -1.193 -15.293 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.560 0.265 -14.325 1.00 0.00 H new ATOM 764 N ASP A 58 0.214 2.085 -15.824 1.00 0.00 N ATOM 765 CA ASP A 58 0.637 3.475 -15.819 1.00 0.00 C ATOM 766 C ASP A 58 -0.551 4.367 -16.186 1.00 0.00 C ATOM 767 O ASP A 58 -1.578 3.877 -16.653 1.00 0.00 O ATOM 768 CB ASP A 58 1.745 3.717 -16.847 1.00 0.00 C ATOM 769 CG ASP A 58 1.940 2.592 -17.864 1.00 0.00 C ATOM 770 OD1 ASP A 58 1.136 2.544 -18.818 1.00 0.00 O ATOM 771 OD2 ASP A 58 2.890 1.804 -17.663 1.00 0.00 O ATOM 0 H ASP A 58 0.150 1.662 -16.750 1.00 0.00 H new ATOM 0 HA ASP A 58 1.011 3.710 -14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.525 4.639 -17.385 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.684 3.874 -16.316 1.00 0.00 H new ATOM 775 N LYS A 59 -0.371 5.661 -15.960 1.00 0.00 N ATOM 776 CA LYS A 59 -1.415 6.625 -16.261 1.00 0.00 C ATOM 777 C LYS A 59 -1.229 7.143 -17.689 1.00 0.00 C ATOM 778 O LYS A 59 -1.620 8.267 -18.001 1.00 0.00 O ATOM 779 CB LYS A 59 -1.444 7.730 -15.204 1.00 0.00 C ATOM 780 CG LYS A 59 -2.579 7.505 -14.204 1.00 0.00 C ATOM 781 CD LYS A 59 -2.877 8.781 -13.414 1.00 0.00 C ATOM 782 CE LYS A 59 -1.883 8.957 -12.265 1.00 0.00 C ATOM 783 NZ LYS A 59 -1.698 10.392 -11.955 1.00 0.00 N ATOM 0 H LYS A 59 0.482 6.063 -15.572 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.396 6.151 -16.220 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.491 7.758 -14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.569 8.698 -15.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.476 7.183 -14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.309 6.703 -13.517 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.828 9.644 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.892 8.740 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.244 8.431 -11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.925 8.510 -12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.685 10.626 -11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.209 10.967 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.070 10.593 -11.005 1.00 0.00 H new ATOM 793 N LYS A 60 -0.631 6.299 -18.517 1.00 0.00 N ATOM 794 CA LYS A 60 -0.388 6.658 -19.904 1.00 0.00 C ATOM 795 C LYS A 60 -1.307 5.834 -20.808 1.00 0.00 C ATOM 796 O LYS A 60 -1.960 6.378 -21.697 1.00 0.00 O ATOM 797 CB LYS A 60 1.097 6.515 -20.242 1.00 0.00 C ATOM 798 CG LYS A 60 1.928 7.577 -19.521 1.00 0.00 C ATOM 799 CD LYS A 60 3.022 6.932 -18.668 1.00 0.00 C ATOM 800 CE LYS A 60 4.389 7.552 -18.967 1.00 0.00 C ATOM 801 NZ LYS A 60 5.000 6.912 -20.154 1.00 0.00 N ATOM 0 H LYS A 60 -0.308 5.368 -18.254 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.630 7.707 -20.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.444 5.522 -19.958 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.239 6.606 -21.319 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.380 8.248 -20.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.280 8.184 -18.889 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.785 7.057 -17.611 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.055 5.860 -18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.279 8.623 -19.140 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.045 7.434 -18.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.927 7.344 -20.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.122 5.895 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.381 7.047 -20.978 1.00 0.00 H new ATOM 811 N SER A 61 -1.328 4.534 -20.550 1.00 0.00 N ATOM 812 CA SER A 61 -2.156 3.629 -21.328 1.00 0.00 C ATOM 813 C SER A 61 -3.084 2.841 -20.402 1.00 0.00 C ATOM 814 O SER A 61 -3.898 2.043 -20.865 1.00 0.00 O ATOM 815 CB SER A 61 -1.296 2.673 -22.159 1.00 0.00 C ATOM 816 OG SER A 61 -0.651 3.339 -23.241 1.00 0.00 O ATOM 0 H SER A 61 -0.784 4.086 -19.812 1.00 0.00 H new ATOM 0 HA SER A 61 -2.759 4.222 -22.015 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.545 2.211 -21.518 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.921 1.869 -22.549 1.00 0.00 H new ATOM 0 HG SER A 61 -0.111 2.696 -23.746 1.00 0.00 H new ATOM 821 N MET A 62 -2.929 3.090 -19.110 1.00 0.00 N ATOM 822 CA MET A 62 -3.744 2.414 -18.115 1.00 0.00 C ATOM 823 C MET A 62 -3.829 0.913 -18.404 1.00 0.00 C ATOM 824 O MET A 62 -4.855 0.285 -18.148 1.00 0.00 O ATOM 825 CB MET A 62 -5.151 3.013 -18.112 1.00 0.00 C ATOM 826 CG MET A 62 -5.211 4.266 -17.234 1.00 0.00 C ATOM 827 SD MET A 62 -6.694 4.245 -16.242 1.00 0.00 S ATOM 828 CE MET A 62 -6.294 2.920 -15.113 1.00 0.00 C ATOM 0 H MET A 62 -2.251 3.750 -18.729 1.00 0.00 H new ATOM 0 HA MET A 62 -3.279 2.552 -17.139 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.446 3.264 -19.131 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.864 2.274 -17.747 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.333 4.311 -16.590 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.194 5.159 -17.859 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.830 3.067 -14.175 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.587 1.967 -15.553 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.221 2.917 -14.921 1.00 0.00 H new ATOM 836 N GLU A 63 -2.737 0.382 -18.935 1.00 0.00 N ATOM 837 CA GLU A 63 -2.676 -1.032 -19.263 1.00 0.00 C ATOM 838 C GLU A 63 -2.297 -1.848 -18.025 1.00 0.00 C ATOM 839 O GLU A 63 -1.382 -1.478 -17.291 1.00 0.00 O ATOM 840 CB GLU A 63 -1.694 -1.287 -20.409 1.00 0.00 C ATOM 841 CG GLU A 63 -2.177 -0.626 -21.701 1.00 0.00 C ATOM 842 CD GLU A 63 -2.598 -1.675 -22.732 1.00 0.00 C ATOM 843 OE1 GLU A 63 -1.705 -2.440 -23.158 1.00 0.00 O ATOM 844 OE2 GLU A 63 -3.801 -1.689 -23.069 1.00 0.00 O ATOM 0 H GLU A 63 -1.888 0.906 -19.146 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.664 -1.351 -19.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.711 -0.899 -20.143 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.582 -2.360 -20.565 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.018 0.033 -21.484 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.383 -0.004 -22.114 1.00 0.00 H new ATOM 849 N TRP A 64 -3.021 -2.940 -17.831 1.00 0.00 N ATOM 850 CA TRP A 64 -2.772 -3.811 -16.695 1.00 0.00 C ATOM 851 C TRP A 64 -2.005 -5.036 -17.197 1.00 0.00 C ATOM 852 O TRP A 64 -2.466 -5.735 -18.097 1.00 0.00 O ATOM 853 CB TRP A 64 -4.078 -4.172 -15.985 1.00 0.00 C ATOM 854 CG TRP A 64 -4.844 -2.966 -15.439 1.00 0.00 C ATOM 855 CD1 TRP A 64 -5.814 -2.264 -16.040 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.664 -2.346 -14.148 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.270 -1.240 -15.235 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.549 -1.292 -14.048 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.783 -2.666 -13.100 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.638 -0.471 -12.917 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.884 -1.836 -11.977 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.770 -0.770 -11.861 1.00 0.00 C ATOM 0 H TRP A 64 -3.780 -3.242 -18.441 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.164 -3.304 -15.946 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.720 -4.713 -16.680 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.856 -4.851 -15.162 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.192 -2.473 -17.030 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.002 -0.569 -15.468 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.084 -3.487 -13.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.339 0.349 -12.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.228 -2.037 -11.143 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.788 -0.176 -10.960 1.00 0.00 H new ATOM 872 N PHE A 65 -0.847 -5.258 -16.593 1.00 0.00 N ATOM 873 CA PHE A 65 -0.011 -6.386 -16.968 1.00 0.00 C ATOM 874 C PHE A 65 0.253 -7.296 -15.766 1.00 0.00 C ATOM 875 O PHE A 65 0.878 -6.878 -14.792 1.00 0.00 O ATOM 876 CB PHE A 65 1.318 -5.814 -17.461 1.00 0.00 C ATOM 877 CG PHE A 65 1.397 -5.642 -18.979 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.448 -4.919 -19.632 1.00 0.00 C ATOM 879 CD2 PHE A 65 2.416 -6.212 -19.677 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.520 -4.760 -21.040 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.489 -6.053 -21.085 1.00 0.00 C ATOM 882 CZ PHE A 65 1.539 -5.330 -21.738 1.00 0.00 C ATOM 0 H PHE A 65 -0.468 -4.676 -15.846 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.508 -6.978 -17.736 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.483 -4.846 -16.987 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.126 -6.470 -17.137 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.361 -4.466 -19.078 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.170 -6.786 -19.159 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.234 -4.186 -21.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.298 -6.506 -21.638 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.594 -5.209 -22.810 1.00 0.00 H new ATOM 891 N THR A 66 -0.237 -8.522 -15.873 1.00 0.00 N ATOM 892 CA THR A 66 -0.062 -9.494 -14.807 1.00 0.00 C ATOM 893 C THR A 66 1.344 -9.387 -14.213 1.00 0.00 C ATOM 894 O THR A 66 2.331 -9.660 -14.895 1.00 0.00 O ATOM 895 CB THR A 66 -0.378 -10.879 -15.374 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.695 -10.745 -15.905 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.524 -11.940 -14.280 1.00 0.00 C ATOM 0 H THR A 66 -0.755 -8.865 -16.682 1.00 0.00 H new ATOM 0 HA THR A 66 -0.746 -9.302 -13.980 1.00 0.00 H new ATOM 0 HB THR A 66 0.410 -11.176 -16.066 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.979 -11.598 -16.295 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.748 -12.904 -14.736 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.406 -12.012 -13.717 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.335 -11.660 -13.607 1.00 0.00 H new ATOM 905 N VAL A 67 1.390 -8.990 -12.950 1.00 0.00 N ATOM 906 CA VAL A 67 2.659 -8.843 -12.258 1.00 0.00 C ATOM 907 C VAL A 67 3.034 -10.174 -11.601 1.00 0.00 C ATOM 908 O VAL A 67 4.171 -10.628 -11.715 1.00 0.00 O ATOM 909 CB VAL A 67 2.580 -7.686 -11.260 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.797 -7.678 -10.332 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.434 -6.346 -11.985 1.00 0.00 C ATOM 0 H VAL A 67 0.569 -8.766 -12.388 1.00 0.00 H new ATOM 0 HA VAL A 67 3.452 -8.593 -12.963 1.00 0.00 H new ATOM 0 HB VAL A 67 1.692 -7.833 -10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.716 -6.846 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.838 -8.615 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.705 -7.567 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.380 -5.540 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.295 -6.188 -12.635 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.523 -6.354 -12.584 1.00 0.00 H new ATOM 921 N ILE A 68 2.054 -10.761 -10.929 1.00 0.00 N ATOM 922 CA ILE A 68 2.267 -12.030 -10.254 1.00 0.00 C ATOM 923 C ILE A 68 0.922 -12.739 -10.074 1.00 0.00 C ATOM 924 O ILE A 68 -0.096 -12.093 -9.833 1.00 0.00 O ATOM 925 CB ILE A 68 3.030 -11.820 -8.945 1.00 0.00 C ATOM 926 CG1 ILE A 68 4.157 -12.845 -8.797 1.00 0.00 C ATOM 927 CG2 ILE A 68 2.079 -11.837 -7.746 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.416 -12.195 -8.217 1.00 0.00 C ATOM 0 H ILE A 68 1.112 -10.382 -10.838 1.00 0.00 H new ATOM 0 HA ILE A 68 2.895 -12.683 -10.861 1.00 0.00 H new ATOM 0 HB ILE A 68 3.493 -10.834 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.831 -13.658 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.384 -13.284 -9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.648 -11.686 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.344 -11.039 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.567 -12.798 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.202 -12.945 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.753 -11.398 -8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.191 -11.779 -7.235 1.00 0.00 H new ATOM 939 N GLU A 69 0.963 -14.057 -10.201 1.00 0.00 N ATOM 940 CA GLU A 69 -0.238 -14.861 -10.056 1.00 0.00 C ATOM 941 C GLU A 69 -0.016 -15.969 -9.025 1.00 0.00 C ATOM 942 O GLU A 69 1.123 -16.332 -8.735 1.00 0.00 O ATOM 943 CB GLU A 69 -0.674 -15.444 -11.402 1.00 0.00 C ATOM 944 CG GLU A 69 -1.080 -14.335 -12.374 1.00 0.00 C ATOM 945 CD GLU A 69 -2.511 -14.544 -12.878 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.437 -14.186 -12.119 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.644 -15.058 -14.009 1.00 0.00 O ATOM 0 H GLU A 69 1.810 -14.588 -10.403 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.041 -14.216 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.141 -16.028 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.511 -16.126 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.003 -13.367 -11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.392 -14.317 -13.219 1.00 0.00 H new ATOM 952 N HIS A 70 -1.122 -16.475 -8.499 1.00 0.00 N ATOM 953 CA HIS A 70 -1.061 -17.533 -7.505 1.00 0.00 C ATOM 954 C HIS A 70 0.061 -17.238 -6.507 1.00 0.00 C ATOM 955 O HIS A 70 0.952 -18.062 -6.309 1.00 0.00 O ATOM 956 CB HIS A 70 -0.913 -18.900 -8.177 1.00 0.00 C ATOM 957 CG HIS A 70 -1.604 -19.005 -9.515 1.00 0.00 C ATOM 958 ND1 HIS A 70 -1.258 -18.512 -10.739 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.799 -19.682 -9.691 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -2.188 -18.869 -11.615 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -3.145 -19.594 -10.967 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.065 -16.172 -8.742 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.996 -17.566 -6.946 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.147 -19.115 -8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.313 -19.665 -7.512 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.354 -20.195 -8.920 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.188 -18.626 -12.667 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.980 -19.998 -11.391 1.00 0.00 H new ATOM 968 N TYR A 71 -0.020 -16.060 -5.907 1.00 0.00 N ATOM 969 CA TYR A 71 0.977 -15.646 -4.935 1.00 0.00 C ATOM 970 C TYR A 71 0.721 -16.298 -3.575 1.00 0.00 C ATOM 971 O TYR A 71 -0.129 -17.179 -3.455 1.00 0.00 O ATOM 972 CB TYR A 71 0.826 -14.129 -4.796 1.00 0.00 C ATOM 973 CG TYR A 71 2.129 -13.403 -4.458 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.271 -13.656 -5.190 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.163 -12.495 -3.419 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.498 -12.972 -4.871 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.390 -11.811 -3.099 1.00 0.00 C ATOM 978 CZ TYR A 71 4.497 -12.084 -3.842 1.00 0.00 C ATOM 979 OH TYR A 71 5.654 -11.438 -3.541 1.00 0.00 O ATOM 0 H TYR A 71 -0.761 -15.379 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 71 1.975 -15.939 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.429 -13.727 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.092 -13.917 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.245 -14.367 -6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.269 -12.297 -2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.398 -13.161 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.430 -11.098 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 71 5.504 -10.833 -2.784 1.00 0.00 H new ATOM 988 N HIS A 72 1.473 -15.841 -2.584 1.00 0.00 N ATOM 989 CA HIS A 72 1.338 -16.370 -1.237 1.00 0.00 C ATOM 990 C HIS A 72 1.199 -15.214 -0.245 1.00 0.00 C ATOM 991 O HIS A 72 0.127 -15.002 0.321 1.00 0.00 O ATOM 992 CB HIS A 72 2.503 -17.303 -0.901 1.00 0.00 C ATOM 993 CG HIS A 72 2.083 -18.603 -0.258 1.00 0.00 C ATOM 994 ND1 HIS A 72 2.563 -19.021 0.971 1.00 0.00 N ATOM 995 CD2 HIS A 72 1.222 -19.570 -0.685 1.00 0.00 C ATOM 996 CE1 HIS A 72 2.009 -20.189 1.260 1.00 0.00 C ATOM 997 NE2 HIS A 72 1.180 -20.529 0.232 1.00 0.00 N ATOM 0 H HIS A 72 2.177 -15.111 -2.687 1.00 0.00 H new ATOM 0 HA HIS A 72 0.433 -16.974 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.054 -17.523 -1.815 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.190 -16.784 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.668 -19.558 -1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.183 -20.770 2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.620 -21.380 0.177 1.00 0.00 H new ATOM 1004 N ARG A 73 2.297 -14.496 -0.063 1.00 0.00 N ATOM 1005 CA ARG A 73 2.312 -13.367 0.852 1.00 0.00 C ATOM 1006 C ARG A 73 1.238 -12.351 0.458 1.00 0.00 C ATOM 1007 O ARG A 73 0.593 -12.496 -0.580 1.00 0.00 O ATOM 1008 CB ARG A 73 3.678 -12.679 0.858 1.00 0.00 C ATOM 1009 CG ARG A 73 4.157 -12.422 2.288 1.00 0.00 C ATOM 1010 CD ARG A 73 5.222 -13.439 2.701 1.00 0.00 C ATOM 1011 NE ARG A 73 6.465 -12.740 3.094 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.641 -12.127 4.273 1.00 0.00 C ATOM 1013 NH1 ARG A 73 5.655 -12.123 5.180 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.803 -11.517 4.543 1.00 0.00 N ATOM 0 H ARG A 73 3.184 -14.674 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 73 2.107 -13.749 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.404 -13.300 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.616 -11.735 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.564 -11.414 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.312 -12.477 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.857 -14.043 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.424 -14.121 1.875 1.00 0.00 H new ATOM 0 HE ARG A 73 7.236 -12.723 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.770 -12.586 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.789 -11.656 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.553 -11.519 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.938 -11.050 5.440 1.00 0.00 H new ATOM 1025 N THR A 74 1.079 -11.346 1.306 1.00 0.00 N ATOM 1026 CA THR A 74 0.095 -10.306 1.060 1.00 0.00 C ATOM 1027 C THR A 74 0.781 -9.025 0.580 1.00 0.00 C ATOM 1028 O THR A 74 0.125 -8.006 0.374 1.00 0.00 O ATOM 1029 CB THR A 74 -0.723 -10.116 2.338 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.258 -9.891 3.347 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.425 -11.401 2.781 1.00 0.00 C ATOM 0 H THR A 74 1.616 -11.230 2.165 1.00 0.00 H new ATOM 0 HA THR A 74 -0.589 -10.590 0.260 1.00 0.00 H new ATOM 0 HB THR A 74 -1.465 -9.333 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.512 -10.746 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.991 -11.210 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.103 -11.735 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.681 -12.175 2.971 1.00 0.00 H new ATOM 1039 N SER A 75 2.092 -9.121 0.416 1.00 0.00 N ATOM 1040 CA SER A 75 2.874 -7.982 -0.035 1.00 0.00 C ATOM 1041 C SER A 75 3.882 -8.427 -1.096 1.00 0.00 C ATOM 1042 O SER A 75 4.478 -9.498 -0.981 1.00 0.00 O ATOM 1043 CB SER A 75 3.597 -7.312 1.135 1.00 0.00 C ATOM 1044 OG SER A 75 3.632 -8.146 2.290 1.00 0.00 O ATOM 0 H SER A 75 2.632 -9.969 0.587 1.00 0.00 H new ATOM 0 HA SER A 75 2.193 -7.252 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.615 -7.063 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.098 -6.374 1.380 1.00 0.00 H new ATOM 0 HG SER A 75 4.103 -7.683 3.014 1.00 0.00 H new ATOM 1049 N ALA A 76 4.043 -7.584 -2.104 1.00 0.00 N ATOM 1050 CA ALA A 76 4.969 -7.878 -3.185 1.00 0.00 C ATOM 1051 C ALA A 76 5.629 -6.579 -3.652 1.00 0.00 C ATOM 1052 O ALA A 76 4.970 -5.546 -3.760 1.00 0.00 O ATOM 1053 CB ALA A 76 4.226 -8.592 -4.316 1.00 0.00 C ATOM 0 H ALA A 76 3.548 -6.697 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 76 5.759 -8.546 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.921 -8.812 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.800 -9.522 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.427 -7.951 -4.688 1.00 0.00 H new ATOM 1059 N THR A 77 6.924 -6.673 -3.916 1.00 0.00 N ATOM 1060 CA THR A 77 7.681 -5.517 -4.369 1.00 0.00 C ATOM 1061 C THR A 77 7.713 -5.466 -5.898 1.00 0.00 C ATOM 1062 O THR A 77 8.256 -6.362 -6.542 1.00 0.00 O ATOM 1063 CB THR A 77 9.072 -5.586 -3.736 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.825 -5.441 -2.340 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.937 -4.374 -4.088 1.00 0.00 C ATOM 0 H THR A 77 7.468 -7.531 -3.825 1.00 0.00 H new ATOM 0 HA THR A 77 7.209 -4.587 -4.053 1.00 0.00 H new ATOM 0 HB THR A 77 9.574 -6.497 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.674 -5.476 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.913 -4.474 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.063 -4.319 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.452 -3.465 -3.732 1.00 0.00 H new ATOM 1073 N ILE A 78 7.122 -4.408 -6.434 1.00 0.00 N ATOM 1074 CA ILE A 78 7.075 -4.228 -7.876 1.00 0.00 C ATOM 1075 C ILE A 78 8.447 -3.769 -8.373 1.00 0.00 C ATOM 1076 O ILE A 78 9.268 -3.292 -7.589 1.00 0.00 O ATOM 1077 CB ILE A 78 5.934 -3.284 -8.261 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.612 -3.739 -7.639 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.832 -3.138 -9.781 1.00 0.00 C ATOM 1080 CD1 ILE A 78 3.895 -4.739 -8.547 1.00 0.00 C ATOM 0 H ILE A 78 6.672 -3.667 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 78 6.856 -5.174 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 78 6.157 -2.297 -7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.801 -4.195 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.971 -2.875 -7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.013 -2.462 -10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.766 -2.734 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.644 -4.114 -10.228 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.958 -5.046 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.686 -4.272 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.529 -5.613 -8.698 1.00 0.00 H new ATOM 1091 N THR A 79 8.655 -3.929 -9.671 1.00 0.00 N ATOM 1092 CA THR A 79 9.913 -3.537 -10.282 1.00 0.00 C ATOM 1093 C THR A 79 9.664 -2.866 -11.635 1.00 0.00 C ATOM 1094 O THR A 79 8.518 -2.614 -12.004 1.00 0.00 O ATOM 1095 CB THR A 79 10.801 -4.780 -10.375 1.00 0.00 C ATOM 1096 OG1 THR A 79 9.909 -5.814 -10.781 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.308 -5.239 -9.006 1.00 0.00 C ATOM 0 H THR A 79 7.973 -4.325 -10.317 1.00 0.00 H new ATOM 0 HA THR A 79 10.431 -2.793 -9.677 1.00 0.00 H new ATOM 0 HB THR A 79 11.650 -4.573 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.402 -6.656 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.933 -6.124 -9.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.893 -4.441 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.459 -5.479 -8.366 1.00 0.00 H new ATOM 1105 N GLU A 80 10.755 -2.597 -12.336 1.00 0.00 N ATOM 1106 CA GLU A 80 10.669 -1.961 -13.640 1.00 0.00 C ATOM 1107 C GLU A 80 9.750 -0.740 -13.574 1.00 0.00 C ATOM 1108 O GLU A 80 8.689 -0.722 -14.195 1.00 0.00 O ATOM 1109 CB GLU A 80 10.189 -2.951 -14.703 1.00 0.00 C ATOM 1110 CG GLU A 80 11.248 -4.024 -14.970 1.00 0.00 C ATOM 1111 CD GLU A 80 10.632 -5.240 -15.665 1.00 0.00 C ATOM 1112 OE1 GLU A 80 9.903 -5.981 -14.971 1.00 0.00 O ATOM 1113 OE2 GLU A 80 10.906 -5.401 -16.873 1.00 0.00 O ATOM 0 H GLU A 80 11.704 -2.808 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 80 11.666 -1.627 -13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.263 -3.423 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.965 -2.418 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.043 -3.610 -15.590 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.705 -4.331 -14.029 1.00 0.00 H new ATOM 1118 N LEU A 81 10.192 0.254 -12.816 1.00 0.00 N ATOM 1119 CA LEU A 81 9.422 1.476 -12.662 1.00 0.00 C ATOM 1120 C LEU A 81 10.289 2.673 -13.059 1.00 0.00 C ATOM 1121 O LEU A 81 11.455 2.753 -12.678 1.00 0.00 O ATOM 1122 CB LEU A 81 8.850 1.575 -11.246 1.00 0.00 C ATOM 1123 CG LEU A 81 7.894 0.455 -10.829 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.711 0.428 -9.311 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.559 0.574 -11.566 1.00 0.00 C ATOM 0 H LEU A 81 11.073 0.237 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 81 8.560 1.469 -13.329 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.681 1.598 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.326 2.526 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 81 8.337 -0.499 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.027 -0.377 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.675 0.261 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.300 1.381 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.897 -0.233 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.098 1.533 -11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.729 0.507 -12.641 1.00 0.00 H new ATOM 1136 N VAL A 82 9.685 3.573 -13.821 1.00 0.00 N ATOM 1137 CA VAL A 82 10.387 4.762 -14.275 1.00 0.00 C ATOM 1138 C VAL A 82 10.157 5.897 -13.275 1.00 0.00 C ATOM 1139 O VAL A 82 9.020 6.184 -12.907 1.00 0.00 O ATOM 1140 CB VAL A 82 9.947 5.119 -15.696 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.464 6.501 -16.098 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.400 4.053 -16.694 1.00 0.00 C ATOM 0 H VAL A 82 8.717 3.503 -14.136 1.00 0.00 H new ATOM 0 HA VAL A 82 11.461 4.579 -14.318 1.00 0.00 H new ATOM 0 HB VAL A 82 8.858 5.151 -15.712 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.137 6.731 -17.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.070 7.251 -15.411 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.553 6.508 -16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.074 4.331 -17.696 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.487 3.975 -16.674 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.962 3.092 -16.424 1.00 0.00 H new ATOM 1152 N ILE A 83 11.256 6.512 -12.865 1.00 0.00 N ATOM 1153 CA ILE A 83 11.190 7.610 -11.915 1.00 0.00 C ATOM 1154 C ILE A 83 10.642 8.854 -12.617 1.00 0.00 C ATOM 1155 O ILE A 83 11.034 9.159 -13.742 1.00 0.00 O ATOM 1156 CB ILE A 83 12.551 7.828 -11.251 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.930 6.633 -10.373 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.576 9.143 -10.470 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.387 6.730 -9.916 1.00 0.00 C ATOM 0 H ILE A 83 12.198 6.271 -13.173 1.00 0.00 H new ATOM 0 HA ILE A 83 10.501 7.371 -11.105 1.00 0.00 H new ATOM 0 HB ILE A 83 13.305 7.905 -12.035 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.274 6.593 -9.503 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.780 5.707 -10.928 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.555 9.273 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.382 9.973 -11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.809 9.121 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.631 5.869 -9.294 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.041 6.745 -10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.528 7.645 -9.341 1.00 0.00 H new ATOM 1170 N GLY A 84 9.743 9.538 -11.924 1.00 0.00 N ATOM 1171 CA GLY A 84 9.137 10.742 -12.468 1.00 0.00 C ATOM 1172 C GLY A 84 7.803 10.426 -13.146 1.00 0.00 C ATOM 1173 O GLY A 84 7.570 10.829 -14.285 1.00 0.00 O ATOM 0 H GLY A 84 9.420 9.282 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.980 11.467 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.815 11.201 -13.187 1.00 0.00 H new ATOM 1177 N ASN A 85 6.961 9.709 -12.416 1.00 0.00 N ATOM 1178 CA ASN A 85 5.655 9.334 -12.933 1.00 0.00 C ATOM 1179 C ASN A 85 4.878 8.585 -11.849 1.00 0.00 C ATOM 1180 O ASN A 85 5.420 8.287 -10.785 1.00 0.00 O ATOM 1181 CB ASN A 85 5.787 8.410 -14.145 1.00 0.00 C ATOM 1182 CG ASN A 85 5.695 9.202 -15.452 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.000 10.198 -15.555 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.434 8.704 -16.438 1.00 0.00 N ATOM 0 H ASN A 85 7.157 9.378 -11.471 1.00 0.00 H new ATOM 0 HA ASN A 85 5.135 10.245 -13.230 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.740 7.882 -14.102 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.002 7.654 -14.118 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.442 9.161 -17.350 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.993 7.865 -16.283 1.00 0.00 H new ATOM 1190 N GLU A 86 3.621 8.301 -12.156 1.00 0.00 N ATOM 1191 CA GLU A 86 2.764 7.592 -11.221 1.00 0.00 C ATOM 1192 C GLU A 86 2.252 6.295 -11.850 1.00 0.00 C ATOM 1193 O GLU A 86 2.332 6.115 -13.064 1.00 0.00 O ATOM 1194 CB GLU A 86 1.602 8.476 -10.764 1.00 0.00 C ATOM 1195 CG GLU A 86 2.114 9.766 -10.120 1.00 0.00 C ATOM 1196 CD GLU A 86 2.239 10.885 -11.157 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.367 10.927 -12.052 1.00 0.00 O ATOM 1198 OE2 GLU A 86 3.201 11.670 -11.030 1.00 0.00 O ATOM 0 H GLU A 86 3.175 8.549 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 86 3.352 7.338 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.968 8.718 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.984 7.930 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.434 10.075 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.084 9.585 -9.656 1.00 0.00 H new ATOM 1203 N TYR A 87 1.737 5.423 -10.995 1.00 0.00 N ATOM 1204 CA TYR A 87 1.213 4.148 -11.450 1.00 0.00 C ATOM 1205 C TYR A 87 0.150 3.615 -10.487 1.00 0.00 C ATOM 1206 O TYR A 87 0.114 4.005 -9.320 1.00 0.00 O ATOM 1207 CB TYR A 87 2.400 3.184 -11.465 1.00 0.00 C ATOM 1208 CG TYR A 87 3.516 3.586 -12.431 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.485 3.151 -13.741 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.555 4.383 -11.993 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.536 3.530 -14.651 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.605 4.762 -12.903 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.543 4.316 -14.186 1.00 0.00 C ATOM 1214 OH TYR A 87 6.536 4.674 -15.044 1.00 0.00 O ATOM 0 H TYR A 87 1.672 5.576 -9.989 1.00 0.00 H new ATOM 0 HA TYR A 87 0.748 4.253 -12.430 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.812 3.116 -10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.044 2.189 -11.732 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.673 2.527 -14.084 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.580 4.722 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.524 3.197 -15.678 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.423 5.386 -12.574 1.00 0.00 H new ATOM 0 HH TYR A 87 6.892 5.549 -14.785 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.688 2.732 -11.009 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.747 2.142 -10.208 1.00 0.00 C ATOM 1225 C TYR A 88 -1.460 0.667 -9.919 1.00 0.00 C ATOM 1226 O TYR A 88 -0.499 0.105 -10.442 1.00 0.00 O ATOM 1227 CB TYR A 88 -3.020 2.245 -11.053 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.665 3.632 -11.039 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -4.115 4.172 -9.850 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.799 4.343 -12.213 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.722 5.477 -9.836 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.406 5.649 -12.199 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.838 6.152 -11.011 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.413 7.385 -10.998 1.00 0.00 O ATOM 0 H TYR A 88 -0.655 2.411 -11.977 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.836 2.656 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.783 1.976 -12.082 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.744 1.515 -10.691 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.011 3.615 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.449 3.920 -13.143 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.077 5.911 -8.913 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.516 6.216 -13.111 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.244 7.816 -10.134 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.311 0.084 -9.089 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.161 -1.315 -8.723 1.00 0.00 C ATOM 1245 C PHE A 89 -3.459 -1.871 -8.136 1.00 0.00 C ATOM 1246 O PHE A 89 -4.176 -1.165 -7.427 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.062 -1.384 -7.661 1.00 0.00 C ATOM 1248 CG PHE A 89 0.208 -0.614 -8.026 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.196 -1.229 -8.731 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.349 0.684 -7.648 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.375 -0.514 -9.071 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.528 1.399 -7.988 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.517 0.785 -8.693 1.00 0.00 C ATOM 0 H PHE A 89 -3.107 0.554 -8.659 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.912 -1.906 -9.605 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.454 -0.993 -6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.804 -2.429 -7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.084 -2.260 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.436 1.172 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.160 -1.002 -9.630 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.640 2.430 -7.687 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.414 1.328 -8.952 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.722 -3.131 -8.452 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.922 -3.790 -7.964 1.00 0.00 C ATOM 1264 C ARG A 90 -4.606 -5.228 -7.551 1.00 0.00 C ATOM 1265 O ARG A 90 -3.863 -5.926 -8.239 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.017 -3.801 -9.031 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.520 -4.459 -10.320 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.666 -5.150 -11.060 1.00 0.00 C ATOM 1269 NE ARG A 90 -6.727 -4.674 -12.460 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.841 -4.663 -13.202 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.996 -5.102 -12.684 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -7.803 -4.212 -14.464 1.00 0.00 N ATOM 0 H ARG A 90 -3.125 -3.713 -9.040 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.280 -3.231 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.889 -4.338 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.337 -2.780 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.067 -3.706 -10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.743 -5.187 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.523 -6.230 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.611 -4.945 -10.556 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.866 -4.333 -12.886 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.027 -5.445 -11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.845 -5.093 -13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.925 -3.877 -14.860 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.652 -4.204 -15.029 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.188 -5.630 -6.430 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.978 -6.974 -5.918 1.00 0.00 C ATOM 1285 C VAL A 91 -6.241 -7.806 -6.150 1.00 0.00 C ATOM 1286 O VAL A 91 -7.342 -7.380 -5.803 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.564 -6.914 -4.446 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.480 -8.317 -3.843 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.240 -6.165 -4.280 1.00 0.00 C ATOM 0 H VAL A 91 -5.805 -5.049 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.163 -7.463 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.332 -6.362 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.184 -8.246 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.454 -8.802 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.742 -8.904 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.968 -6.136 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.459 -6.677 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.348 -5.147 -4.654 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.040 -8.977 -6.734 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.148 -9.873 -7.016 1.00 0.00 C ATOM 1301 C PHE A 92 -7.208 -11.010 -5.995 1.00 0.00 C ATOM 1302 O PHE A 92 -6.334 -11.125 -5.136 1.00 0.00 O ATOM 1303 CB PHE A 92 -6.903 -10.466 -8.406 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.403 -9.587 -9.554 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -8.686 -9.136 -9.557 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -6.564 -9.255 -10.572 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.150 -8.320 -10.622 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.027 -8.440 -11.637 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.311 -7.989 -11.641 1.00 0.00 C ATOM 0 H PHE A 92 -5.126 -9.327 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.089 -9.325 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.834 -10.639 -8.533 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.392 -11.438 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.352 -9.399 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.545 -9.612 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.169 -7.962 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.360 -8.177 -12.445 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.664 -7.369 -12.452 1.00 0.00 H new ATOM 1318 N SER A 93 -8.249 -11.822 -6.120 1.00 0.00 N ATOM 1319 CA SER A 93 -8.433 -12.945 -5.217 1.00 0.00 C ATOM 1320 C SER A 93 -8.626 -14.234 -6.019 1.00 0.00 C ATOM 1321 O SER A 93 -9.520 -14.318 -6.861 1.00 0.00 O ATOM 1322 CB SER A 93 -9.628 -12.714 -4.289 1.00 0.00 C ATOM 1323 OG SER A 93 -9.567 -11.443 -3.648 1.00 0.00 O ATOM 0 H SER A 93 -8.972 -11.724 -6.832 1.00 0.00 H new ATOM 0 HA SER A 93 -7.540 -13.039 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.552 -12.787 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.658 -13.500 -3.534 1.00 0.00 H new ATOM 0 HG SER A 93 -10.415 -10.969 -3.779 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.774 -15.206 -5.730 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.840 -16.487 -6.413 1.00 0.00 C ATOM 1330 C GLU A 94 -8.078 -17.614 -5.406 1.00 0.00 C ATOM 1331 O GLU A 94 -8.172 -17.369 -4.205 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.570 -16.738 -7.228 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.654 -16.062 -8.598 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.393 -17.066 -9.723 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -5.205 -17.221 -10.080 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.386 -17.655 -10.200 1.00 0.00 O ATOM 0 H GLU A 94 -7.034 -15.133 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.680 -16.465 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.704 -16.360 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.422 -17.810 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.640 -15.615 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.927 -15.252 -8.653 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.167 -18.827 -5.935 1.00 0.00 N ATOM 1342 CA ASN A 95 -8.393 -19.992 -5.096 1.00 0.00 C ATOM 1343 C ASN A 95 -8.734 -21.192 -5.982 1.00 0.00 C ATOM 1344 O ASN A 95 -8.062 -22.221 -5.926 1.00 0.00 O ATOM 1345 CB ASN A 95 -9.563 -19.765 -4.138 1.00 0.00 C ATOM 1346 CG ASN A 95 -10.696 -19.001 -4.828 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -10.664 -18.731 -6.017 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.697 -18.669 -4.016 1.00 0.00 N ATOM 0 H ASN A 95 -8.087 -19.027 -6.932 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.486 -20.173 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.934 -20.724 -3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.221 -19.207 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.501 -18.157 -4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.660 -18.926 -3.030 1.00 0.00 H new ATOM 1354 N MET A 96 -9.778 -21.021 -6.780 1.00 0.00 N ATOM 1355 CA MET A 96 -10.216 -22.077 -7.676 1.00 0.00 C ATOM 1356 C MET A 96 -11.111 -21.520 -8.785 1.00 0.00 C ATOM 1357 O MET A 96 -10.977 -21.901 -9.946 1.00 0.00 O ATOM 1358 CB MET A 96 -10.987 -23.134 -6.882 1.00 0.00 C ATOM 1359 CG MET A 96 -12.074 -22.488 -6.020 1.00 0.00 C ATOM 1360 SD MET A 96 -13.662 -22.649 -6.819 1.00 0.00 S ATOM 1361 CE MET A 96 -14.694 -21.804 -5.633 1.00 0.00 C ATOM 0 H MET A 96 -10.333 -20.167 -6.824 1.00 0.00 H new ATOM 0 HA MET A 96 -9.335 -22.525 -8.136 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.440 -23.850 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.298 -23.691 -6.247 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.101 -22.962 -5.039 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.844 -21.435 -5.859 1.00 0.00 H new ATOM 0 HE1 MET A 96 -15.728 -21.812 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 96 -14.630 -22.310 -4.670 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.355 -20.774 -5.525 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.004 -20.624 -8.387 1.00 0.00 N ATOM 1370 CA CYS A 97 -12.920 -20.010 -9.332 1.00 0.00 C ATOM 1371 C CYS A 97 -12.096 -19.285 -10.398 1.00 0.00 C ATOM 1372 O CYS A 97 -12.170 -19.620 -11.580 1.00 0.00 O ATOM 1373 CB CYS A 97 -13.906 -19.069 -8.636 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.527 -19.895 -8.442 1.00 0.00 S ATOM 0 H CYS A 97 -12.112 -20.309 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.528 -20.781 -9.805 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.517 -18.779 -7.660 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.022 -18.155 -9.218 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.356 -19.089 -7.848 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.330 -18.305 -9.943 1.00 0.00 N ATOM 1380 CA GLY A 98 -10.493 -17.529 -10.843 1.00 0.00 C ATOM 1381 C GLY A 98 -10.061 -16.214 -10.192 1.00 0.00 C ATOM 1382 O GLY A 98 -9.745 -16.179 -9.004 1.00 0.00 O ATOM 0 H GLY A 98 -11.271 -18.030 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.612 -18.110 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.038 -17.321 -11.764 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.059 -15.164 -10.999 1.00 0.00 N ATOM 1387 CA LEU A 99 -9.669 -13.850 -10.518 1.00 0.00 C ATOM 1388 C LEU A 99 -10.920 -13.078 -10.090 1.00 0.00 C ATOM 1389 O LEU A 99 -11.942 -13.118 -10.772 1.00 0.00 O ATOM 1390 CB LEU A 99 -8.827 -13.121 -11.567 1.00 0.00 C ATOM 1391 CG LEU A 99 -7.408 -13.654 -11.774 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -6.559 -13.457 -10.516 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.431 -15.115 -12.226 1.00 0.00 C ATOM 0 H LEU A 99 -10.322 -15.197 -11.984 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.031 -13.941 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.353 -13.164 -12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.762 -12.070 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.940 -13.077 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.555 -13.844 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.502 -12.395 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.015 -13.991 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.410 -15.469 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.925 -15.723 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.975 -15.196 -13.167 1.00 0.00 H new ATOM 1404 N SER A 100 -10.796 -12.393 -8.961 1.00 0.00 N ATOM 1405 CA SER A 100 -11.903 -11.614 -8.434 1.00 0.00 C ATOM 1406 C SER A 100 -12.405 -10.633 -9.496 1.00 0.00 C ATOM 1407 O SER A 100 -11.613 -9.922 -10.113 1.00 0.00 O ATOM 1408 CB SER A 100 -11.492 -10.860 -7.168 1.00 0.00 C ATOM 1409 OG SER A 100 -12.471 -9.902 -6.775 1.00 0.00 O ATOM 0 H SER A 100 -9.946 -12.362 -8.398 1.00 0.00 H new ATOM 0 HA SER A 100 -12.709 -12.299 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.335 -11.571 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.540 -10.357 -7.339 1.00 0.00 H new ATOM 0 HG SER A 100 -12.047 -9.024 -6.673 1.00 0.00 H new ATOM 1414 N GLU A 101 -13.717 -10.626 -9.677 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.334 -9.745 -10.654 1.00 0.00 C ATOM 1416 C GLU A 101 -13.886 -8.300 -10.422 1.00 0.00 C ATOM 1417 O GLU A 101 -13.573 -7.584 -11.371 1.00 0.00 O ATOM 1418 CB GLU A 101 -15.859 -9.860 -10.611 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.392 -10.562 -11.861 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.370 -9.663 -12.620 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -18.553 -9.643 -12.215 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -16.913 -9.015 -13.586 1.00 0.00 O ATOM 0 H GLU A 101 -14.371 -11.217 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.008 -10.051 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.160 -10.414 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.300 -8.866 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.561 -10.833 -12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.890 -11.489 -11.577 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.872 -7.915 -9.154 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.468 -6.568 -8.785 1.00 0.00 C ATOM 1429 C ASP A 102 -12.143 -6.629 -8.022 1.00 0.00 C ATOM 1430 O ASP A 102 -11.843 -7.629 -7.371 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.508 -5.912 -7.876 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.958 -6.058 -8.341 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.506 -7.166 -8.149 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.487 -5.061 -8.877 1.00 0.00 O ATOM 0 H ASP A 102 -14.134 -8.512 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.368 -5.983 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.418 -6.340 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.275 -4.851 -7.790 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.386 -5.547 -8.127 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.101 -5.465 -7.454 1.00 0.00 C ATOM 1440 C ALA A 103 -10.011 -4.140 -6.696 1.00 0.00 C ATOM 1441 O ALA A 103 -10.395 -3.094 -7.218 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.976 -5.627 -8.480 1.00 0.00 C ATOM 0 H ALA A 103 -11.638 -4.720 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.997 -6.269 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.012 -5.566 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.068 -6.596 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.047 -4.835 -9.225 1.00 0.00 H new ATOM 1448 N THR A 104 -9.501 -4.226 -5.476 1.00 0.00 N ATOM 1449 CA THR A 104 -9.356 -3.046 -4.640 1.00 0.00 C ATOM 1450 C THR A 104 -8.139 -2.228 -5.079 1.00 0.00 C ATOM 1451 O THR A 104 -7.008 -2.552 -4.721 1.00 0.00 O ATOM 1452 CB THR A 104 -9.286 -3.505 -3.182 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.582 -4.041 -2.925 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.167 -2.334 -2.205 1.00 0.00 C ATOM 0 H THR A 104 -9.183 -5.095 -5.046 1.00 0.00 H new ATOM 0 HA THR A 104 -10.212 -2.379 -4.745 1.00 0.00 H new ATOM 0 HB THR A 104 -8.435 -4.174 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.563 -4.557 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.121 -2.715 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.261 -1.769 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.035 -1.683 -2.310 1.00 0.00 H new ATOM 1462 N MET A 105 -8.414 -1.185 -5.848 1.00 0.00 N ATOM 1463 CA MET A 105 -7.356 -0.318 -6.339 1.00 0.00 C ATOM 1464 C MET A 105 -6.926 0.683 -5.265 1.00 0.00 C ATOM 1465 O MET A 105 -7.766 1.257 -4.574 1.00 0.00 O ATOM 1466 CB MET A 105 -7.848 0.437 -7.575 1.00 0.00 C ATOM 1467 CG MET A 105 -6.718 0.619 -8.592 1.00 0.00 C ATOM 1468 SD MET A 105 -7.400 0.899 -10.218 1.00 0.00 S ATOM 1469 CE MET A 105 -6.843 2.571 -10.503 1.00 0.00 C ATOM 0 H MET A 105 -9.354 -0.921 -6.143 1.00 0.00 H new ATOM 0 HA MET A 105 -6.496 -0.935 -6.599 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.672 -0.109 -8.035 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.237 1.412 -7.280 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.089 1.461 -8.302 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.081 -0.266 -8.603 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.696 3.200 -10.759 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.367 2.955 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 105 -6.126 2.581 -11.324 1.00 0.00 H new ATOM 1477 N THR A 106 -5.618 0.864 -5.161 1.00 0.00 N ATOM 1478 CA THR A 106 -5.065 1.787 -4.184 1.00 0.00 C ATOM 1479 C THR A 106 -5.795 3.130 -4.246 1.00 0.00 C ATOM 1480 O THR A 106 -5.829 3.774 -5.293 1.00 0.00 O ATOM 1481 CB THR A 106 -3.561 1.901 -4.438 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.463 2.150 -5.838 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.831 0.570 -4.245 1.00 0.00 C ATOM 0 H THR A 106 -4.925 0.387 -5.737 1.00 0.00 H new ATOM 0 HA THR A 106 -5.210 1.420 -3.168 1.00 0.00 H new ATOM 0 HB THR A 106 -3.136 2.648 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.235 3.091 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.767 0.707 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.973 0.222 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.233 -0.169 -4.938 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.362 3.512 -3.111 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.090 4.767 -3.024 1.00 0.00 C ATOM 1493 C LYS A 107 -6.339 5.842 -3.811 1.00 0.00 C ATOM 1494 O LYS A 107 -6.951 6.764 -4.348 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.342 5.138 -1.561 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.841 5.189 -1.259 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.342 6.633 -1.203 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.833 6.684 -0.860 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.306 8.085 -0.814 1.00 0.00 N ATOM 0 H LYS A 107 -6.332 2.975 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.076 4.669 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.861 4.409 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.891 6.106 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.388 4.640 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.041 4.694 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.775 7.190 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.169 7.119 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.403 6.126 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.008 6.203 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.319 8.102 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.774 8.607 -0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.157 8.532 -1.741 1.00 0.00 H new ATOM 1509 N GLU A 108 -5.025 5.689 -3.856 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.184 6.636 -4.569 1.00 0.00 C ATOM 1511 C GLU A 108 -3.106 5.896 -5.362 1.00 0.00 C ATOM 1512 O GLU A 108 -2.969 4.679 -5.245 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.560 7.649 -3.606 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.591 8.686 -3.158 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.944 9.753 -2.272 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.408 9.361 -1.213 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -4.001 10.935 -2.673 1.00 0.00 O ATOM 0 H GLU A 108 -4.521 4.923 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.808 7.189 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.159 7.130 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.723 8.150 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.042 9.157 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.395 8.193 -2.612 1.00 0.00 H new ATOM 1522 N SER A 109 -2.366 6.662 -6.152 1.00 0.00 N ATOM 1523 CA SER A 109 -1.304 6.093 -6.964 1.00 0.00 C ATOM 1524 C SER A 109 0.042 6.259 -6.255 1.00 0.00 C ATOM 1525 O SER A 109 0.167 7.066 -5.335 1.00 0.00 O ATOM 1526 CB SER A 109 -1.259 6.746 -8.347 1.00 0.00 C ATOM 1527 OG SER A 109 -1.271 8.168 -8.267 1.00 0.00 O ATOM 0 H SER A 109 -2.481 7.671 -6.246 1.00 0.00 H new ATOM 0 HA SER A 109 -1.508 5.031 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.361 6.420 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.113 6.409 -8.935 1.00 0.00 H new ATOM 0 HG SER A 109 -1.240 8.547 -9.170 1.00 0.00 H new ATOM 1532 N ALA A 110 1.015 5.484 -6.711 1.00 0.00 N ATOM 1533 CA ALA A 110 2.347 5.535 -6.133 1.00 0.00 C ATOM 1534 C ALA A 110 3.263 6.355 -7.044 1.00 0.00 C ATOM 1535 O ALA A 110 3.449 6.015 -8.211 1.00 0.00 O ATOM 1536 CB ALA A 110 2.864 4.111 -5.915 1.00 0.00 C ATOM 0 H ALA A 110 0.907 4.817 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 110 2.325 6.026 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.863 4.149 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.195 3.581 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.903 3.588 -6.870 1.00 0.00 H new ATOM 1542 N VAL A 111 3.810 7.419 -6.476 1.00 0.00 N ATOM 1543 CA VAL A 111 4.702 8.290 -7.222 1.00 0.00 C ATOM 1544 C VAL A 111 6.129 7.744 -7.140 1.00 0.00 C ATOM 1545 O VAL A 111 6.704 7.662 -6.055 1.00 0.00 O ATOM 1546 CB VAL A 111 4.582 9.726 -6.708 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.580 10.647 -7.414 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.151 10.247 -6.865 1.00 0.00 C ATOM 0 H VAL A 111 3.653 7.698 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 111 4.422 8.311 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 111 4.823 9.722 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.473 11.662 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.595 10.294 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.384 10.642 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.093 11.270 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.870 10.228 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.469 9.614 -6.297 1.00 0.00 H new ATOM 1558 N ILE A 112 6.658 7.383 -8.299 1.00 0.00 N ATOM 1559 CA ILE A 112 8.006 6.846 -8.373 1.00 0.00 C ATOM 1560 C ILE A 112 9.013 7.979 -8.169 1.00 0.00 C ATOM 1561 O ILE A 112 8.843 9.071 -8.710 1.00 0.00 O ATOM 1562 CB ILE A 112 8.205 6.073 -9.678 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.077 5.062 -9.895 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.584 5.412 -9.718 1.00 0.00 C ATOM 1565 CD1 ILE A 112 6.972 4.098 -8.712 1.00 0.00 C ATOM 0 H ILE A 112 6.177 7.452 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 112 8.172 6.123 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 112 8.164 6.782 -10.505 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.132 5.589 -10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.258 4.501 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.700 4.869 -10.656 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.357 6.177 -9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.679 4.718 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.163 3.390 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.911 3.556 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.767 4.661 -7.801 1.00 0.00 H new ATOM 1576 N ALA A 113 10.040 7.682 -7.386 1.00 0.00 N ATOM 1577 CA ALA A 113 11.075 8.663 -7.105 1.00 0.00 C ATOM 1578 C ALA A 113 12.179 8.008 -6.272 1.00 0.00 C ATOM 1579 O ALA A 113 11.910 7.109 -5.475 1.00 0.00 O ATOM 1580 CB ALA A 113 10.454 9.873 -6.402 1.00 0.00 C ATOM 0 H ALA A 113 10.178 6.776 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 113 11.527 9.020 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.230 10.609 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.696 10.319 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.993 9.554 -5.467 1.00 0.00 H new