USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=24 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 60 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 85 ASN : amide:sc= -1.37 K(o=-0.29,f=-10!) USER MOD Set 2.1: A 55 GLN : amide:sc= -4.3! C(o=-3.2!,f=-6.7!) USER MOD Set 2.2: A 66 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 22 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.11) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 39 THR OG1 : rot 42:sc= -4.78! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.38 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 20:sc= 0.00301 USER MOD Single : A 62 MET CE :methyl 143:sc= -1.29 (180deg=-2.63!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.73 F(o=-5!,f=-1.7) USER MOD Single : A 71 TYR OH : rot 176:sc= 0.0658 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0418 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 137:sc= 1.17 USER MOD Single : A 95 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.3!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -130:sc= 1.34 USER MOD Single : A 104 THR OG1 : rot -170:sc= -1.23 USER MOD Single : A 105 MET CE :methyl -167:sc= -1.44 (180deg=-1.91) USER MOD Single : A 106 THR OG1 : rot 77:sc= 1.26 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 -14.371 -12.407 -3.041 1.00 0.00 N ATOM 224 CA GLY A 19 -14.436 -10.978 -3.297 1.00 0.00 C ATOM 225 C GLY A 19 -13.036 -10.359 -3.314 1.00 0.00 C ATOM 226 O GLY A 19 -12.037 -11.072 -3.222 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.928 -10.798 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.042 -10.495 -2.530 1.00 0.00 H new ATOM 230 N PRO A 20 -13.007 -9.006 -3.434 1.00 0.00 N ATOM 231 CA PRO A 20 -11.746 -8.283 -3.465 1.00 0.00 C ATOM 232 C PRO A 20 -11.125 -8.207 -2.068 1.00 0.00 C ATOM 233 O PRO A 20 -11.741 -8.622 -1.087 1.00 0.00 O ATOM 234 CB PRO A 20 -12.088 -6.918 -4.038 1.00 0.00 C ATOM 235 CG PRO A 20 -13.591 -6.762 -3.873 1.00 0.00 C ATOM 236 CD PRO A 20 -14.169 -8.129 -3.545 1.00 0.00 C ATOM 0 HA PRO A 20 -10.992 -8.778 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.553 -6.128 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.801 -6.852 -5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.816 -6.052 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.036 -6.369 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.738 -8.106 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.849 -8.469 -4.326 1.00 0.00 H new ATOM 241 N PRO A 21 -9.881 -7.659 -2.022 1.00 0.00 N ATOM 242 CA PRO A 21 -9.170 -7.522 -0.762 1.00 0.00 C ATOM 243 C PRO A 21 -9.744 -6.374 0.070 1.00 0.00 C ATOM 244 O PRO A 21 -10.119 -5.337 -0.473 1.00 0.00 O ATOM 245 CB PRO A 21 -7.717 -7.305 -1.154 1.00 0.00 C ATOM 246 CG PRO A 21 -7.738 -6.864 -2.608 1.00 0.00 C ATOM 247 CD PRO A 21 -9.122 -7.156 -3.164 1.00 0.00 C ATOM 0 HA PRO A 21 -9.270 -8.400 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.251 -6.548 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.139 -8.221 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.511 -5.801 -2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.977 -7.396 -3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.580 -6.258 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.079 -7.892 -3.967 1.00 0.00 H new ATOM 252 N GLN A 22 -9.794 -6.599 1.375 1.00 0.00 N ATOM 253 CA GLN A 22 -10.316 -5.597 2.288 1.00 0.00 C ATOM 254 C GLN A 22 -9.852 -4.201 1.864 1.00 0.00 C ATOM 255 O GLN A 22 -10.671 -3.302 1.677 1.00 0.00 O ATOM 256 CB GLN A 22 -9.900 -5.899 3.728 1.00 0.00 C ATOM 257 CG GLN A 22 -10.941 -6.777 4.426 1.00 0.00 C ATOM 258 CD GLN A 22 -11.112 -6.366 5.890 1.00 0.00 C ATOM 259 OE1 GLN A 22 -12.089 -5.745 6.278 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.112 -6.746 6.680 1.00 0.00 N ATOM 0 H GLN A 22 -9.481 -7.461 1.822 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.405 -5.626 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.933 -6.401 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.778 -4.966 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.897 -6.696 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.636 -7.822 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.324 -7.263 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.134 -6.520 7.674 1.00 0.00 H new ATOM 267 N ILE A 23 -8.541 -4.064 1.726 1.00 0.00 N ATOM 268 CA ILE A 23 -7.960 -2.793 1.328 1.00 0.00 C ATOM 269 C ILE A 23 -6.610 -3.044 0.653 1.00 0.00 C ATOM 270 O ILE A 23 -6.021 -4.112 0.813 1.00 0.00 O ATOM 271 CB ILE A 23 -7.883 -1.842 2.525 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.961 -0.383 2.070 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.632 -2.115 3.362 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.562 0.202 1.860 1.00 0.00 C ATOM 0 H ILE A 23 -7.865 -4.812 1.883 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.595 -2.295 0.595 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.745 -2.027 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.529 -0.318 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.497 0.206 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.601 -1.426 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.658 -3.140 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.744 -1.974 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.646 1.240 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.005 0.157 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.037 -0.374 1.098 1.00 0.00 H new ATOM 285 N VAL A 24 -6.159 -2.042 -0.087 1.00 0.00 N ATOM 286 CA VAL A 24 -4.889 -2.140 -0.785 1.00 0.00 C ATOM 287 C VAL A 24 -4.123 -0.825 -0.630 1.00 0.00 C ATOM 288 O VAL A 24 -4.564 0.215 -1.114 1.00 0.00 O ATOM 289 CB VAL A 24 -5.126 -2.525 -2.248 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.799 -2.725 -2.983 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.004 -3.774 -2.351 1.00 0.00 C ATOM 0 H VAL A 24 -6.651 -1.158 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.273 -2.927 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.656 -1.703 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.995 -2.998 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.224 -1.800 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.232 -3.520 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.157 -4.026 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.514 -4.606 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.968 -3.581 -1.880 1.00 0.00 H new ATOM 301 N LYS A 25 -2.987 -0.916 0.048 1.00 0.00 N ATOM 302 CA LYS A 25 -2.155 0.254 0.273 1.00 0.00 C ATOM 303 C LYS A 25 -0.751 -0.012 -0.273 1.00 0.00 C ATOM 304 O LYS A 25 -0.450 -1.124 -0.706 1.00 0.00 O ATOM 305 CB LYS A 25 -2.176 0.649 1.751 1.00 0.00 C ATOM 306 CG LYS A 25 -3.340 1.596 2.048 1.00 0.00 C ATOM 307 CD LYS A 25 -2.953 2.625 3.113 1.00 0.00 C ATOM 308 CE LYS A 25 -3.608 2.297 4.456 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.595 2.277 5.536 1.00 0.00 N ATOM 0 H LYS A 25 -2.624 -1.781 0.448 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.550 1.113 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.263 -0.245 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.234 1.130 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.639 2.109 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.202 1.022 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.869 2.645 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.257 3.620 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.376 3.037 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.105 1.329 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.056 2.053 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.877 1.555 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.139 3.209 5.602 1.00 0.00 H new ATOM 319 N ILE A 26 0.070 1.027 -0.233 1.00 0.00 N ATOM 320 CA ILE A 26 1.436 0.919 -0.719 1.00 0.00 C ATOM 321 C ILE A 26 2.405 1.185 0.435 1.00 0.00 C ATOM 322 O ILE A 26 2.638 2.336 0.802 1.00 0.00 O ATOM 323 CB ILE A 26 1.650 1.836 -1.925 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.759 1.417 -3.097 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.127 1.887 -2.319 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.049 2.606 -3.624 1.00 0.00 C ATOM 0 H ILE A 26 -0.183 1.947 0.128 1.00 0.00 H new ATOM 0 HA ILE A 26 1.634 -0.091 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 26 1.357 2.847 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.374 1.007 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.081 0.625 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.252 2.545 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.714 2.267 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.470 0.885 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.674 2.281 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.681 2.998 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.632 3.386 -3.964 1.00 0.00 H new ATOM 337 N GLU A 27 2.944 0.102 0.974 1.00 0.00 N ATOM 338 CA GLU A 27 3.883 0.204 2.079 1.00 0.00 C ATOM 339 C GLU A 27 4.810 1.404 1.878 1.00 0.00 C ATOM 340 O GLU A 27 5.079 2.149 2.819 1.00 0.00 O ATOM 341 CB GLU A 27 4.686 -1.089 2.237 1.00 0.00 C ATOM 342 CG GLU A 27 4.415 -1.738 3.595 1.00 0.00 C ATOM 343 CD GLU A 27 5.504 -1.372 4.606 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.627 -0.162 4.895 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.190 -2.310 5.066 1.00 0.00 O ATOM 0 H GLU A 27 2.749 -0.851 0.667 1.00 0.00 H new ATOM 0 HA GLU A 27 3.318 0.356 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.425 -1.784 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.750 -0.875 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.443 -1.415 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.369 -2.821 3.481 1.00 0.00 H new ATOM 350 N ASP A 28 5.273 1.554 0.645 1.00 0.00 N ATOM 351 CA ASP A 28 6.165 2.651 0.310 1.00 0.00 C ATOM 352 C ASP A 28 6.710 2.444 -1.105 1.00 0.00 C ATOM 353 O ASP A 28 6.512 1.387 -1.702 1.00 0.00 O ATOM 354 CB ASP A 28 7.353 2.709 1.271 1.00 0.00 C ATOM 355 CG ASP A 28 7.484 4.014 2.059 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.034 5.049 1.522 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.031 3.947 3.181 1.00 0.00 O ATOM 0 H ASP A 28 5.047 0.935 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 28 5.599 3.580 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.271 1.883 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.269 2.552 0.702 1.00 0.00 H new ATOM 361 N VAL A 29 7.388 3.469 -1.600 1.00 0.00 N ATOM 362 CA VAL A 29 7.964 3.413 -2.933 1.00 0.00 C ATOM 363 C VAL A 29 9.358 4.041 -2.908 1.00 0.00 C ATOM 364 O VAL A 29 9.515 5.199 -2.525 1.00 0.00 O ATOM 365 CB VAL A 29 7.024 4.083 -3.937 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.675 5.507 -3.497 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.629 4.077 -5.342 1.00 0.00 C ATOM 0 H VAL A 29 7.552 4.344 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 29 8.080 2.379 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 29 6.100 3.506 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.006 5.960 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.183 5.477 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.587 6.099 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.941 4.559 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.575 4.619 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.803 3.049 -5.659 1.00 0.00 H new ATOM 377 N TRP A 30 10.336 3.249 -3.322 1.00 0.00 N ATOM 378 CA TRP A 30 11.714 3.713 -3.351 1.00 0.00 C ATOM 379 C TRP A 30 12.313 3.324 -4.704 1.00 0.00 C ATOM 380 O TRP A 30 11.950 2.298 -5.277 1.00 0.00 O ATOM 381 CB TRP A 30 12.505 3.159 -2.165 1.00 0.00 C ATOM 382 CG TRP A 30 12.571 1.631 -2.120 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.531 0.832 -2.607 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.595 0.745 -1.533 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.245 -0.498 -2.378 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.032 -0.553 -1.705 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.384 1.030 -0.880 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.317 -1.669 -1.251 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.682 -0.095 -0.432 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.107 -1.408 -0.597 1.00 0.00 C ATOM 0 H TRP A 30 10.202 2.289 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 30 11.759 4.797 -3.248 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.520 3.555 -2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.055 3.520 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.417 1.185 -3.115 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.819 -1.295 -2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.023 2.038 -0.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.679 -2.676 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.744 0.069 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.506 -2.224 -0.222 1.00 0.00 H new ATOM 400 N GLY A 31 13.222 4.164 -5.175 1.00 0.00 N ATOM 401 CA GLY A 31 13.877 3.922 -6.450 1.00 0.00 C ATOM 402 C GLY A 31 12.896 3.336 -7.467 1.00 0.00 C ATOM 403 O GLY A 31 11.863 3.938 -7.757 1.00 0.00 O ATOM 0 H GLY A 31 13.521 5.014 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.290 4.855 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.713 3.237 -6.309 1.00 0.00 H new ATOM 407 N GLU A 32 13.253 2.168 -7.982 1.00 0.00 N ATOM 408 CA GLU A 32 12.417 1.495 -8.961 1.00 0.00 C ATOM 409 C GLU A 32 11.743 0.274 -8.332 1.00 0.00 C ATOM 410 O GLU A 32 11.553 -0.745 -8.995 1.00 0.00 O ATOM 411 CB GLU A 32 13.230 1.098 -10.196 1.00 0.00 C ATOM 412 CG GLU A 32 14.146 2.240 -10.640 1.00 0.00 C ATOM 413 CD GLU A 32 14.942 1.851 -11.886 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.604 0.799 -12.471 1.00 0.00 O ATOM 415 OE2 GLU A 32 15.873 2.613 -12.227 1.00 0.00 O ATOM 0 H GLU A 32 14.110 1.671 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 32 11.640 2.188 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.827 0.214 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.555 0.831 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.550 3.129 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.831 2.497 -9.832 1.00 0.00 H new ATOM 420 N ASN A 33 11.401 0.416 -7.061 1.00 0.00 N ATOM 421 CA ASN A 33 10.752 -0.663 -6.335 1.00 0.00 C ATOM 422 C ASN A 33 9.604 -0.091 -5.499 1.00 0.00 C ATOM 423 O ASN A 33 9.810 0.813 -4.691 1.00 0.00 O ATOM 424 CB ASN A 33 11.730 -1.354 -5.384 1.00 0.00 C ATOM 425 CG ASN A 33 13.002 -1.780 -6.121 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.105 -2.872 -6.653 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.961 -0.859 -6.121 1.00 0.00 N ATOM 0 H ASN A 33 11.561 1.262 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 33 10.386 -1.387 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.987 -0.679 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.254 -2.227 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.849 -1.047 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.809 0.036 -5.656 1.00 0.00 H new ATOM 433 N VAL A 34 8.420 -0.642 -5.722 1.00 0.00 N ATOM 434 CA VAL A 34 7.240 -0.199 -5.000 1.00 0.00 C ATOM 435 C VAL A 34 6.817 -1.285 -4.009 1.00 0.00 C ATOM 436 O VAL A 34 6.962 -2.474 -4.286 1.00 0.00 O ATOM 437 CB VAL A 34 6.132 0.175 -5.987 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.752 -0.147 -5.410 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.229 1.648 -6.389 1.00 0.00 C ATOM 0 H VAL A 34 8.253 -1.392 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 34 7.460 0.700 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 34 6.268 -0.426 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.983 0.128 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.686 -1.214 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.603 0.415 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.430 1.887 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.132 2.274 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.194 1.834 -6.861 1.00 0.00 H new ATOM 449 N ALA A 35 6.301 -0.836 -2.873 1.00 0.00 N ATOM 450 CA ALA A 35 5.856 -1.754 -1.839 1.00 0.00 C ATOM 451 C ALA A 35 4.331 -1.690 -1.729 1.00 0.00 C ATOM 452 O ALA A 35 3.769 -0.630 -1.455 1.00 0.00 O ATOM 453 CB ALA A 35 6.550 -1.414 -0.520 1.00 0.00 C ATOM 0 H ALA A 35 6.182 0.151 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 35 6.126 -2.779 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.216 -2.103 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.629 -1.503 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.301 -0.393 -0.230 1.00 0.00 H new ATOM 459 N LEU A 36 3.705 -2.837 -1.948 1.00 0.00 N ATOM 460 CA LEU A 36 2.256 -2.925 -1.877 1.00 0.00 C ATOM 461 C LEU A 36 1.856 -3.615 -0.572 1.00 0.00 C ATOM 462 O LEU A 36 2.610 -4.425 -0.037 1.00 0.00 O ATOM 463 CB LEU A 36 1.698 -3.603 -3.129 1.00 0.00 C ATOM 464 CG LEU A 36 1.605 -2.729 -4.381 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.682 -3.580 -5.650 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.346 -1.860 -4.350 1.00 0.00 C ATOM 0 H LEU A 36 4.175 -3.714 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 36 1.813 -1.929 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.322 -4.467 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.702 -3.981 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 36 2.462 -2.055 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.614 -2.935 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.629 -4.119 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.858 -4.294 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.304 -1.248 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.536 -2.499 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.372 -1.213 -3.473 1.00 0.00 H new ATOM 477 N THR A 37 0.668 -3.268 -0.096 1.00 0.00 N ATOM 478 CA THR A 37 0.157 -3.845 1.136 1.00 0.00 C ATOM 479 C THR A 37 -1.370 -3.930 1.092 1.00 0.00 C ATOM 480 O THR A 37 -2.055 -2.914 1.189 1.00 0.00 O ATOM 481 CB THR A 37 0.686 -3.009 2.303 1.00 0.00 C ATOM 482 OG1 THR A 37 0.753 -1.685 1.780 1.00 0.00 O ATOM 483 CG2 THR A 37 2.137 -3.344 2.654 1.00 0.00 C ATOM 0 H THR A 37 0.045 -2.594 -0.542 1.00 0.00 H new ATOM 0 HA THR A 37 0.504 -4.870 1.267 1.00 0.00 H new ATOM 0 HB THR A 37 0.055 -3.168 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.085 -1.076 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.462 -2.722 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.210 -4.395 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.774 -3.154 1.790 1.00 0.00 H new ATOM 491 N TRP A 38 -1.858 -5.153 0.947 1.00 0.00 N ATOM 492 CA TRP A 38 -3.291 -5.386 0.889 1.00 0.00 C ATOM 493 C TRP A 38 -3.681 -6.236 2.099 1.00 0.00 C ATOM 494 O TRP A 38 -2.869 -7.007 2.609 1.00 0.00 O ATOM 495 CB TRP A 38 -3.689 -6.023 -0.444 1.00 0.00 C ATOM 496 CG TRP A 38 -3.026 -7.376 -0.709 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.510 -8.599 -0.446 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.730 -7.596 -1.304 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.624 -9.586 -0.826 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.507 -8.957 -1.364 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.777 -6.676 -1.775 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.337 -9.520 -1.890 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.387 -7.255 -2.297 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.626 -8.622 -2.365 1.00 0.00 C ATOM 0 H TRP A 38 -1.286 -5.994 0.868 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.838 -4.444 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.771 -6.150 -0.466 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.432 -5.339 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.472 -8.787 0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.763 -10.592 -0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.930 -5.608 -1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.186 -10.589 -1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.152 -6.592 -2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.551 -8.990 -2.783 1.00 0.00 H new ATOM 514 N THR A 39 -4.925 -6.066 2.525 1.00 0.00 N ATOM 515 CA THR A 39 -5.432 -6.809 3.666 1.00 0.00 C ATOM 516 C THR A 39 -6.090 -8.111 3.205 1.00 0.00 C ATOM 517 O THR A 39 -6.443 -8.252 2.035 1.00 0.00 O ATOM 518 CB THR A 39 -6.379 -5.891 4.443 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.117 -5.215 3.429 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.639 -4.770 5.176 1.00 0.00 C ATOM 0 H THR A 39 -5.596 -5.425 2.101 1.00 0.00 H new ATOM 0 HA THR A 39 -4.625 -7.109 4.334 1.00 0.00 H new ATOM 0 HB THR A 39 -6.947 -6.481 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.362 -5.850 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.357 -4.149 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.934 -5.203 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.097 -4.159 4.454 1.00 0.00 H new ATOM 528 N PRO A 40 -6.238 -9.054 4.174 1.00 0.00 N ATOM 529 CA PRO A 40 -6.846 -10.340 3.880 1.00 0.00 C ATOM 530 C PRO A 40 -8.363 -10.208 3.730 1.00 0.00 C ATOM 531 O PRO A 40 -8.949 -9.217 4.162 1.00 0.00 O ATOM 532 CB PRO A 40 -6.441 -11.241 5.035 1.00 0.00 C ATOM 533 CG PRO A 40 -6.013 -10.311 6.159 1.00 0.00 C ATOM 534 CD PRO A 40 -5.831 -8.921 5.570 1.00 0.00 C ATOM 0 HA PRO A 40 -6.509 -10.756 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.272 -11.874 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.626 -11.905 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.764 -10.296 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.084 -10.659 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.443 -8.186 6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.796 -8.589 5.651 1.00 0.00 H new ATOM 539 N PRO A 41 -8.971 -11.248 3.099 1.00 0.00 N ATOM 540 CA PRO A 41 -10.408 -11.256 2.886 1.00 0.00 C ATOM 541 C PRO A 41 -11.154 -11.565 4.186 1.00 0.00 C ATOM 542 O PRO A 41 -10.665 -12.326 5.020 1.00 0.00 O ATOM 543 CB PRO A 41 -10.639 -12.302 1.807 1.00 0.00 C ATOM 544 CG PRO A 41 -9.388 -13.164 1.786 1.00 0.00 C ATOM 545 CD PRO A 41 -8.309 -12.438 2.573 1.00 0.00 C ATOM 0 HA PRO A 41 -10.792 -10.285 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.522 -12.901 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.806 -11.833 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.590 -14.141 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.061 -13.338 0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.918 -13.062 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.465 -12.173 1.936 1.00 0.00 H new ATOM 550 N LYS A 42 -12.323 -10.958 4.318 1.00 0.00 N ATOM 551 CA LYS A 42 -13.141 -11.158 5.503 1.00 0.00 C ATOM 552 C LYS A 42 -13.807 -12.534 5.432 1.00 0.00 C ATOM 553 O LYS A 42 -14.446 -12.969 6.388 1.00 0.00 O ATOM 554 CB LYS A 42 -14.129 -10.003 5.673 1.00 0.00 C ATOM 555 CG LYS A 42 -13.593 -8.962 6.658 1.00 0.00 C ATOM 556 CD LYS A 42 -14.730 -8.118 7.238 1.00 0.00 C ATOM 557 CE LYS A 42 -15.408 -7.287 6.146 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.605 -6.602 6.686 1.00 0.00 N ATOM 0 H LYS A 42 -12.724 -10.327 3.624 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.521 -11.150 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.314 -9.533 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.085 -10.387 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.058 -9.462 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.876 -8.315 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.464 -8.768 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.339 -7.458 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.707 -6.551 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.694 -7.931 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.054 -6.042 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.280 -7.310 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.323 -5.972 7.464 1.00 0.00 H new ATOM 630 N ILE A 49 -8.422 -20.193 -1.008 1.00 0.00 N ATOM 631 CA ILE A 49 -7.680 -19.119 -1.647 1.00 0.00 C ATOM 632 C ILE A 49 -6.264 -19.604 -1.967 1.00 0.00 C ATOM 633 O ILE A 49 -5.370 -19.520 -1.126 1.00 0.00 O ATOM 634 CB ILE A 49 -7.716 -17.856 -0.786 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.157 -17.404 -0.536 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.867 -16.744 -1.406 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.228 -15.890 -0.323 1.00 0.00 C ATOM 0 HA ILE A 49 -8.146 -18.845 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.279 -18.092 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.782 -17.685 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.556 -17.917 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.910 -15.857 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.833 -17.079 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.252 -16.502 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.263 -15.595 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.621 -15.615 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.851 -15.380 -1.209 1.00 0.00 H new ATOM 648 N THR A 50 -6.104 -20.101 -3.185 1.00 0.00 N ATOM 649 CA THR A 50 -4.813 -20.599 -3.626 1.00 0.00 C ATOM 650 C THR A 50 -3.737 -19.525 -3.449 1.00 0.00 C ATOM 651 O THR A 50 -2.755 -19.736 -2.739 1.00 0.00 O ATOM 652 CB THR A 50 -4.959 -21.079 -5.071 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.801 -20.102 -5.677 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.759 -22.379 -5.179 1.00 0.00 C ATOM 0 H THR A 50 -6.848 -20.169 -3.880 1.00 0.00 H new ATOM 0 HA THR A 50 -4.488 -21.444 -3.019 1.00 0.00 H new ATOM 0 HB THR A 50 -3.971 -21.224 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.947 -20.334 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.833 -22.675 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.256 -23.164 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.759 -22.225 -4.774 1.00 0.00 H new ATOM 662 N GLY A 51 -3.960 -18.397 -4.106 1.00 0.00 N ATOM 663 CA GLY A 51 -3.021 -17.289 -4.029 1.00 0.00 C ATOM 664 C GLY A 51 -3.704 -15.968 -4.387 1.00 0.00 C ATOM 665 O GLY A 51 -4.930 -15.870 -4.358 1.00 0.00 O ATOM 0 H GLY A 51 -4.776 -18.225 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.607 -17.228 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.186 -17.467 -4.707 1.00 0.00 H new ATOM 669 N TYR A 52 -2.881 -14.982 -4.715 1.00 0.00 N ATOM 670 CA TYR A 52 -3.390 -13.671 -5.077 1.00 0.00 C ATOM 671 C TYR A 52 -2.628 -13.098 -6.274 1.00 0.00 C ATOM 672 O TYR A 52 -1.399 -13.128 -6.305 1.00 0.00 O ATOM 673 CB TYR A 52 -3.151 -12.775 -3.860 1.00 0.00 C ATOM 674 CG TYR A 52 -3.905 -13.215 -2.605 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.193 -12.771 -2.381 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.300 -14.058 -1.696 1.00 0.00 C ATOM 677 CE1 TYR A 52 -5.903 -13.187 -1.199 1.00 0.00 C ATOM 678 CE2 TYR A 52 -4.010 -14.473 -0.514 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.277 -14.017 -0.324 1.00 0.00 C ATOM 680 OH TYR A 52 -5.947 -14.410 0.792 1.00 0.00 O ATOM 0 H TYR A 52 -1.865 -15.066 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.443 -13.731 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.083 -12.754 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.445 -11.755 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.668 -12.112 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.293 -14.407 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.911 -12.847 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.547 -15.132 0.206 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.376 -15.003 1.324 1.00 0.00 H new ATOM 689 N THR A 53 -3.390 -12.592 -7.232 1.00 0.00 N ATOM 690 CA THR A 53 -2.803 -12.013 -8.429 1.00 0.00 C ATOM 691 C THR A 53 -2.789 -10.486 -8.332 1.00 0.00 C ATOM 692 O THR A 53 -3.777 -9.878 -7.926 1.00 0.00 O ATOM 693 CB THR A 53 -3.579 -12.538 -9.638 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.344 -13.943 -9.619 1.00 0.00 O ATOM 695 CG2 THR A 53 -2.977 -12.077 -10.967 1.00 0.00 C ATOM 0 H THR A 53 -4.409 -12.571 -7.204 1.00 0.00 H new ATOM 0 HA THR A 53 -1.760 -12.309 -8.541 1.00 0.00 H new ATOM 0 HB THR A 53 -4.615 -12.206 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.931 -14.364 -8.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.566 -12.478 -11.792 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.984 -10.988 -11.011 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.951 -12.436 -11.046 1.00 0.00 H new ATOM 703 N ILE A 54 -1.657 -9.912 -8.712 1.00 0.00 N ATOM 704 CA ILE A 54 -1.501 -8.467 -8.672 1.00 0.00 C ATOM 705 C ILE A 54 -1.260 -7.946 -10.091 1.00 0.00 C ATOM 706 O ILE A 54 -0.592 -8.600 -10.891 1.00 0.00 O ATOM 707 CB ILE A 54 -0.407 -8.074 -7.678 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.719 -8.611 -6.280 1.00 0.00 C ATOM 709 CG2 ILE A 54 -0.190 -6.559 -7.674 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.329 -9.633 -5.839 1.00 0.00 C ATOM 0 H ILE A 54 -0.839 -10.420 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.414 -7.994 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 54 0.528 -8.533 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.750 -7.786 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.706 -9.073 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.593 -6.305 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.108 -6.232 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.116 -6.060 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.083 -9.999 -4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.340 -10.468 -6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.312 -9.162 -5.821 1.00 0.00 H new ATOM 721 N GLN A 55 -1.814 -6.774 -10.359 1.00 0.00 N ATOM 722 CA GLN A 55 -1.667 -6.158 -11.666 1.00 0.00 C ATOM 723 C GLN A 55 -1.543 -4.639 -11.526 1.00 0.00 C ATOM 724 O GLN A 55 -2.177 -4.038 -10.660 1.00 0.00 O ATOM 725 CB GLN A 55 -2.834 -6.530 -12.583 1.00 0.00 C ATOM 726 CG GLN A 55 -2.745 -7.996 -13.014 1.00 0.00 C ATOM 727 CD GLN A 55 -3.257 -8.178 -14.445 1.00 0.00 C ATOM 728 OE1 GLN A 55 -3.321 -7.248 -15.232 1.00 0.00 O ATOM 729 NE2 GLN A 55 -3.617 -9.424 -14.736 1.00 0.00 N ATOM 0 H GLN A 55 -2.366 -6.234 -9.693 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.753 -6.538 -12.124 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.778 -6.356 -12.066 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.829 -5.887 -13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.712 -8.336 -12.947 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.329 -8.615 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.538 -10.156 -14.030 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.972 -9.648 -15.665 1.00 0.00 H new ATOM 736 N LYS A 56 -0.723 -4.062 -12.393 1.00 0.00 N ATOM 737 CA LYS A 56 -0.509 -2.625 -12.376 1.00 0.00 C ATOM 738 C LYS A 56 -0.828 -2.051 -13.758 1.00 0.00 C ATOM 739 O LYS A 56 -0.994 -2.797 -14.722 1.00 0.00 O ATOM 740 CB LYS A 56 0.904 -2.300 -11.888 1.00 0.00 C ATOM 741 CG LYS A 56 1.925 -2.455 -13.018 1.00 0.00 C ATOM 742 CD LYS A 56 3.353 -2.475 -12.468 1.00 0.00 C ATOM 743 CE LYS A 56 4.334 -3.012 -13.512 1.00 0.00 C ATOM 744 NZ LYS A 56 5.638 -2.319 -13.402 1.00 0.00 N ATOM 0 H LYS A 56 -0.200 -4.563 -13.111 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.185 -2.147 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.934 -1.281 -11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.168 -2.960 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.729 -3.377 -13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.816 -1.634 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.647 -1.468 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.393 -3.095 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.472 -4.084 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.924 -2.871 -14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.292 -2.695 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.504 -1.300 -13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.035 -2.475 -12.454 1.00 0.00 H new ATOM 754 N ALA A 57 -0.907 -0.729 -13.810 1.00 0.00 N ATOM 755 CA ALA A 57 -1.204 -0.046 -15.057 1.00 0.00 C ATOM 756 C ALA A 57 -0.690 1.393 -14.981 1.00 0.00 C ATOM 757 O ALA A 57 -1.019 2.125 -14.049 1.00 0.00 O ATOM 758 CB ALA A 57 -2.709 -0.113 -15.330 1.00 0.00 C ATOM 0 H ALA A 57 -0.770 -0.113 -13.008 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.698 -0.533 -15.891 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.932 0.400 -16.266 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.019 -1.155 -15.404 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.248 0.369 -14.515 1.00 0.00 H new ATOM 764 N ASP A 58 0.110 1.755 -15.973 1.00 0.00 N ATOM 765 CA ASP A 58 0.673 3.094 -16.031 1.00 0.00 C ATOM 766 C ASP A 58 -0.458 4.113 -16.174 1.00 0.00 C ATOM 767 O ASP A 58 -1.575 3.758 -16.550 1.00 0.00 O ATOM 768 CB ASP A 58 1.605 3.248 -17.234 1.00 0.00 C ATOM 769 CG ASP A 58 2.337 1.972 -17.653 1.00 0.00 C ATOM 770 OD1 ASP A 58 2.895 1.314 -16.748 1.00 0.00 O ATOM 771 OD2 ASP A 58 2.325 1.683 -18.869 1.00 0.00 O ATOM 0 H ASP A 58 0.382 1.144 -16.743 1.00 0.00 H new ATOM 0 HA ASP A 58 1.238 3.262 -15.114 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.023 3.610 -18.082 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.345 4.015 -17.005 1.00 0.00 H new ATOM 775 N LYS A 59 -0.131 5.359 -15.868 1.00 0.00 N ATOM 776 CA LYS A 59 -1.106 6.434 -15.959 1.00 0.00 C ATOM 777 C LYS A 59 -1.012 7.087 -17.338 1.00 0.00 C ATOM 778 O LYS A 59 -1.345 8.261 -17.496 1.00 0.00 O ATOM 779 CB LYS A 59 -0.931 7.415 -14.798 1.00 0.00 C ATOM 780 CG LYS A 59 -2.153 7.402 -13.878 1.00 0.00 C ATOM 781 CD LYS A 59 -3.167 8.468 -14.296 1.00 0.00 C ATOM 782 CE LYS A 59 -4.286 7.858 -15.142 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.578 8.519 -14.847 1.00 0.00 N ATOM 0 H LYS A 59 0.796 5.649 -15.556 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.118 6.041 -15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.040 7.153 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.776 8.421 -15.188 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.622 6.419 -13.905 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.839 7.577 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.592 8.939 -13.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.664 9.252 -14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.049 7.965 -16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.362 6.790 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.327 8.093 -15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.810 8.395 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.506 9.534 -15.063 1.00 0.00 H new ATOM 793 N LYS A 60 -0.556 6.300 -18.301 1.00 0.00 N ATOM 794 CA LYS A 60 -0.414 6.788 -19.662 1.00 0.00 C ATOM 795 C LYS A 60 -1.617 6.335 -20.491 1.00 0.00 C ATOM 796 O LYS A 60 -2.169 7.112 -21.267 1.00 0.00 O ATOM 797 CB LYS A 60 0.933 6.358 -20.247 1.00 0.00 C ATOM 798 CG LYS A 60 2.058 6.541 -19.226 1.00 0.00 C ATOM 799 CD LYS A 60 2.142 7.996 -18.759 1.00 0.00 C ATOM 800 CE LYS A 60 3.497 8.284 -18.107 1.00 0.00 C ATOM 801 NZ LYS A 60 3.954 9.651 -18.444 1.00 0.00 N ATOM 0 H LYS A 60 -0.280 5.327 -18.166 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.409 7.878 -19.677 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.883 5.314 -20.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.149 6.944 -21.140 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.886 5.889 -18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.008 6.242 -19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.993 8.664 -19.608 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.341 8.201 -18.048 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.417 8.177 -17.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.233 7.554 -18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.605 9.991 -17.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.445 9.637 -19.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.133 10.287 -18.501 1.00 0.00 H new ATOM 811 N SER A 61 -1.988 5.077 -20.297 1.00 0.00 N ATOM 812 CA SER A 61 -3.116 4.511 -21.017 1.00 0.00 C ATOM 813 C SER A 61 -3.914 3.587 -20.095 1.00 0.00 C ATOM 814 O SER A 61 -4.736 2.799 -20.561 1.00 0.00 O ATOM 815 CB SER A 61 -2.650 3.748 -22.259 1.00 0.00 C ATOM 816 OG SER A 61 -2.416 4.618 -23.364 1.00 0.00 O ATOM 0 H SER A 61 -1.528 4.435 -19.652 1.00 0.00 H new ATOM 0 HA SER A 61 -3.757 5.329 -21.346 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.735 3.202 -22.027 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.402 3.008 -22.533 1.00 0.00 H new ATOM 0 HG SER A 61 -2.291 5.534 -23.039 1.00 0.00 H new ATOM 821 N MET A 62 -3.645 3.714 -18.805 1.00 0.00 N ATOM 822 CA MET A 62 -4.327 2.901 -17.813 1.00 0.00 C ATOM 823 C MET A 62 -4.471 1.456 -18.294 1.00 0.00 C ATOM 824 O MET A 62 -5.531 0.850 -18.145 1.00 0.00 O ATOM 825 CB MET A 62 -5.714 3.487 -17.538 1.00 0.00 C ATOM 826 CG MET A 62 -5.623 4.694 -16.601 1.00 0.00 C ATOM 827 SD MET A 62 -7.004 4.696 -15.473 1.00 0.00 S ATOM 828 CE MET A 62 -6.707 3.160 -14.615 1.00 0.00 C ATOM 0 H MET A 62 -2.963 4.369 -18.423 1.00 0.00 H new ATOM 0 HA MET A 62 -3.733 2.903 -16.899 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.179 3.785 -18.477 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.353 2.724 -17.094 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.687 4.662 -16.043 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.616 5.616 -17.182 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.974 3.273 -13.564 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.313 2.371 -15.061 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.652 2.896 -14.695 1.00 0.00 H new ATOM 836 N GLU A 63 -3.389 0.944 -18.863 1.00 0.00 N ATOM 837 CA GLU A 63 -3.380 -0.418 -19.367 1.00 0.00 C ATOM 838 C GLU A 63 -2.812 -1.371 -18.313 1.00 0.00 C ATOM 839 O GLU A 63 -1.771 -1.096 -17.720 1.00 0.00 O ATOM 840 CB GLU A 63 -2.591 -0.514 -20.675 1.00 0.00 C ATOM 841 CG GLU A 63 -3.143 0.456 -21.720 1.00 0.00 C ATOM 842 CD GLU A 63 -3.095 -0.160 -23.120 1.00 0.00 C ATOM 843 OE1 GLU A 63 -1.978 -0.214 -23.679 1.00 0.00 O ATOM 844 OE2 GLU A 63 -4.176 -0.565 -23.599 1.00 0.00 O ATOM 0 H GLU A 63 -2.512 1.449 -18.986 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.408 -0.713 -19.579 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.540 -0.293 -20.487 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.638 -1.533 -21.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.171 0.719 -21.470 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.565 1.380 -21.705 1.00 0.00 H new ATOM 849 N TRP A 64 -3.523 -2.470 -18.112 1.00 0.00 N ATOM 850 CA TRP A 64 -3.103 -3.466 -17.140 1.00 0.00 C ATOM 851 C TRP A 64 -2.683 -4.724 -17.902 1.00 0.00 C ATOM 852 O TRP A 64 -3.180 -4.986 -18.997 1.00 0.00 O ATOM 853 CB TRP A 64 -4.206 -3.729 -16.114 1.00 0.00 C ATOM 854 CG TRP A 64 -5.004 -2.483 -15.723 1.00 0.00 C ATOM 855 CD1 TRP A 64 -5.899 -1.812 -16.462 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.942 -1.781 -14.464 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.417 -0.734 -15.772 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.816 -0.715 -14.519 1.00 0.00 C ATOM 859 CE3 TRP A 64 -4.173 -2.039 -13.316 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -6.003 0.179 -13.458 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -4.372 -1.138 -12.263 1.00 0.00 C ATOM 862 CH2 TRP A 64 -5.247 -0.059 -12.303 1.00 0.00 C ATOM 0 H TRP A 64 -4.387 -2.693 -18.605 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.250 -3.107 -16.565 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.891 -4.475 -16.516 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.759 -4.157 -15.217 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.179 -2.081 -17.470 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.113 -0.073 -16.118 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.483 -2.867 -13.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.693 1.007 -13.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.806 -1.292 -11.356 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.344 0.593 -11.447 1.00 0.00 H new ATOM 872 N PHE A 65 -1.772 -5.469 -17.294 1.00 0.00 N ATOM 873 CA PHE A 65 -1.280 -6.694 -17.902 1.00 0.00 C ATOM 874 C PHE A 65 -1.100 -7.792 -16.853 1.00 0.00 C ATOM 875 O PHE A 65 -1.979 -8.633 -16.671 1.00 0.00 O ATOM 876 CB PHE A 65 0.080 -6.369 -18.522 1.00 0.00 C ATOM 877 CG PHE A 65 0.041 -6.170 -20.038 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.234 -4.942 -20.556 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.282 -7.220 -20.869 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.270 -4.757 -21.964 1.00 0.00 C ATOM 881 CE2 PHE A 65 0.246 -7.034 -22.276 1.00 0.00 C ATOM 882 CZ PHE A 65 -0.030 -5.808 -22.794 1.00 0.00 C ATOM 0 H PHE A 65 -1.362 -5.248 -16.387 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.991 -7.053 -18.646 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.473 -5.465 -18.057 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.776 -7.175 -18.289 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.425 -4.108 -19.897 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.501 -8.195 -20.458 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.488 -3.782 -22.375 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.438 -7.867 -22.935 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.059 -5.668 -23.865 1.00 0.00 H new ATOM 891 N THR A 66 0.047 -7.752 -16.191 1.00 0.00 N ATOM 892 CA THR A 66 0.353 -8.734 -15.165 1.00 0.00 C ATOM 893 C THR A 66 1.595 -8.311 -14.376 1.00 0.00 C ATOM 894 O THR A 66 2.518 -7.719 -14.934 1.00 0.00 O ATOM 895 CB THR A 66 0.500 -10.097 -15.843 1.00 0.00 C ATOM 896 OG1 THR A 66 -0.825 -10.623 -15.854 1.00 0.00 O ATOM 897 CG2 THR A 66 1.288 -11.094 -14.992 1.00 0.00 C ATOM 0 H THR A 66 0.776 -7.055 -16.345 1.00 0.00 H new ATOM 0 HA THR A 66 -0.451 -8.804 -14.433 1.00 0.00 H new ATOM 0 HB THR A 66 0.995 -9.971 -16.806 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.367 -10.130 -16.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.362 -12.044 -15.520 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.288 -10.703 -14.806 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.776 -11.246 -14.042 1.00 0.00 H new ATOM 905 N VAL A 67 1.579 -8.634 -13.091 1.00 0.00 N ATOM 906 CA VAL A 67 2.692 -8.295 -12.221 1.00 0.00 C ATOM 907 C VAL A 67 3.178 -9.558 -11.507 1.00 0.00 C ATOM 908 O VAL A 67 4.381 -9.797 -11.412 1.00 0.00 O ATOM 909 CB VAL A 67 2.281 -7.182 -11.254 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.347 -6.970 -10.177 1.00 0.00 C ATOM 911 CG2 VAL A 67 1.994 -5.881 -12.005 1.00 0.00 C ATOM 0 H VAL A 67 0.813 -9.127 -12.632 1.00 0.00 H new ATOM 0 HA VAL A 67 3.528 -7.908 -12.804 1.00 0.00 H new ATOM 0 HB VAL A 67 1.361 -7.492 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.030 -6.174 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.481 -7.892 -9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.290 -6.693 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.704 -5.107 -11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.889 -5.565 -12.541 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.184 -6.042 -12.716 1.00 0.00 H new ATOM 921 N ILE A 68 2.218 -10.333 -11.023 1.00 0.00 N ATOM 922 CA ILE A 68 2.533 -11.565 -10.320 1.00 0.00 C ATOM 923 C ILE A 68 1.320 -12.496 -10.364 1.00 0.00 C ATOM 924 O ILE A 68 0.180 -12.035 -10.408 1.00 0.00 O ATOM 925 CB ILE A 68 3.026 -11.263 -8.904 1.00 0.00 C ATOM 926 CG1 ILE A 68 4.106 -12.259 -8.475 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.859 -11.221 -7.915 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.490 -11.797 -8.933 1.00 0.00 C ATOM 0 H ILE A 68 1.221 -10.131 -11.104 1.00 0.00 H new ATOM 0 HA ILE A 68 3.353 -12.086 -10.813 1.00 0.00 H new ATOM 0 HB ILE A 68 3.483 -10.274 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.095 -12.368 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.888 -13.241 -8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.237 -11.005 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.157 -10.443 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.351 -12.186 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.239 -12.522 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.504 -11.713 -10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.714 -10.826 -8.491 1.00 0.00 H new ATOM 939 N GLU A 69 1.606 -13.790 -10.351 1.00 0.00 N ATOM 940 CA GLU A 69 0.554 -14.789 -10.389 1.00 0.00 C ATOM 941 C GLU A 69 0.883 -15.943 -9.439 1.00 0.00 C ATOM 942 O GLU A 69 2.039 -16.343 -9.320 1.00 0.00 O ATOM 943 CB GLU A 69 0.332 -15.299 -11.814 1.00 0.00 C ATOM 944 CG GLU A 69 -0.215 -14.189 -12.714 1.00 0.00 C ATOM 945 CD GLU A 69 -1.503 -14.631 -13.411 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.510 -14.799 -12.689 1.00 0.00 O ATOM 947 OE2 GLU A 69 -1.452 -14.793 -14.650 1.00 0.00 O ATOM 0 H GLU A 69 2.552 -14.169 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.374 -14.323 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.272 -15.672 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.365 -16.137 -11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.407 -13.296 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.532 -13.920 -13.460 1.00 0.00 H new ATOM 952 N HIS A 70 -0.156 -16.447 -8.788 1.00 0.00 N ATOM 953 CA HIS A 70 0.009 -17.546 -7.853 1.00 0.00 C ATOM 954 C HIS A 70 0.880 -17.096 -6.679 1.00 0.00 C ATOM 955 O HIS A 70 1.921 -17.694 -6.408 1.00 0.00 O ATOM 956 CB HIS A 70 0.563 -18.784 -8.562 1.00 0.00 C ATOM 957 CG HIS A 70 0.016 -18.991 -9.954 1.00 0.00 C ATOM 958 ND1 HIS A 70 0.296 -18.349 -11.125 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -0.934 -19.951 -10.252 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -0.443 -18.891 -12.087 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -1.205 -19.884 -11.547 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.115 -16.114 -8.890 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.962 -17.833 -7.450 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.649 -18.703 -8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.340 -19.665 -7.960 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.379 -20.639 -9.548 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.440 -18.594 -13.125 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.868 -20.472 -12.052 1.00 0.00 H new ATOM 968 N TYR A 71 0.422 -16.046 -6.013 1.00 0.00 N ATOM 969 CA TYR A 71 1.147 -15.508 -4.874 1.00 0.00 C ATOM 970 C TYR A 71 0.533 -15.988 -3.557 1.00 0.00 C ATOM 971 O TYR A 71 -0.556 -16.559 -3.548 1.00 0.00 O ATOM 972 CB TYR A 71 1.005 -13.987 -4.964 1.00 0.00 C ATOM 973 CG TYR A 71 2.257 -13.219 -4.534 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.396 -13.264 -5.311 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.247 -12.481 -3.368 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.574 -12.541 -4.907 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.423 -11.758 -2.962 1.00 0.00 C ATOM 978 CZ TYR A 71 4.529 -11.824 -3.752 1.00 0.00 C ATOM 979 OH TYR A 71 5.642 -11.141 -3.370 1.00 0.00 O ATOM 0 H TYR A 71 -0.442 -15.554 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 71 2.187 -15.833 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.759 -13.715 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.167 -13.673 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.404 -13.842 -6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.355 -12.446 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.472 -12.567 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.428 -11.177 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 71 5.446 -10.622 -2.562 1.00 0.00 H new ATOM 988 N HIS A 72 1.261 -15.740 -2.478 1.00 0.00 N ATOM 989 CA HIS A 72 0.801 -16.140 -1.158 1.00 0.00 C ATOM 990 C HIS A 72 0.817 -14.931 -0.221 1.00 0.00 C ATOM 991 O HIS A 72 -0.228 -14.512 0.274 1.00 0.00 O ATOM 992 CB HIS A 72 1.629 -17.313 -0.628 1.00 0.00 C ATOM 993 CG HIS A 72 0.815 -18.368 0.082 1.00 0.00 C ATOM 994 ND1 HIS A 72 -0.008 -19.257 -0.588 1.00 0.00 N ATOM 995 CD2 HIS A 72 0.705 -18.667 1.408 1.00 0.00 C ATOM 996 CE1 HIS A 72 -0.582 -20.050 0.305 1.00 0.00 C ATOM 997 NE2 HIS A 72 -0.139 -19.683 1.541 1.00 0.00 N ATOM 0 H HIS A 72 2.165 -15.268 -2.490 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.228 -16.495 -1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.158 -17.776 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.385 -16.930 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.218 -18.163 2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.279 -20.847 0.091 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.411 -20.118 2.423 1.00 0.00 H new ATOM 1004 N ARG A 73 2.014 -14.406 -0.005 1.00 0.00 N ATOM 1005 CA ARG A 73 2.179 -13.254 0.865 1.00 0.00 C ATOM 1006 C ARG A 73 1.118 -12.196 0.552 1.00 0.00 C ATOM 1007 O ARG A 73 0.399 -12.308 -0.440 1.00 0.00 O ATOM 1008 CB ARG A 73 3.569 -12.635 0.701 1.00 0.00 C ATOM 1009 CG ARG A 73 4.415 -12.848 1.958 1.00 0.00 C ATOM 1010 CD ARG A 73 4.274 -11.667 2.920 1.00 0.00 C ATOM 1011 NE ARG A 73 5.609 -11.233 3.389 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.267 -11.798 4.410 1.00 0.00 C ATOM 1013 NH1 ARG A 73 5.717 -12.822 5.077 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.474 -11.338 4.766 1.00 0.00 N ATOM 0 H ARG A 73 2.879 -14.757 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 73 2.064 -13.596 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.070 -13.080 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.474 -11.568 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.107 -13.767 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.462 -12.972 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.768 -10.840 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.656 -11.953 3.771 1.00 0.00 H new ATOM 0 HE ARG A 73 6.056 -10.455 2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.797 -13.171 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.218 -13.252 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.892 -10.557 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.975 -11.768 5.543 1.00 0.00 H new ATOM 1025 N THR A 74 1.054 -11.195 1.418 1.00 0.00 N ATOM 1026 CA THR A 74 0.093 -10.119 1.246 1.00 0.00 C ATOM 1027 C THR A 74 0.788 -8.861 0.722 1.00 0.00 C ATOM 1028 O THR A 74 0.145 -7.836 0.508 1.00 0.00 O ATOM 1029 CB THR A 74 -0.622 -9.907 2.583 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.431 -9.907 3.543 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.489 -11.103 2.980 1.00 0.00 C ATOM 0 H THR A 74 1.651 -11.107 2.240 1.00 0.00 H new ATOM 0 HA THR A 74 -0.656 -10.373 0.496 1.00 0.00 H new ATOM 0 HB THR A 74 -1.243 -9.013 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.057 -9.773 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.973 -10.900 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.249 -11.271 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.864 -11.991 3.071 1.00 0.00 H new ATOM 1039 N SER A 75 2.094 -8.981 0.531 1.00 0.00 N ATOM 1040 CA SER A 75 2.883 -7.868 0.036 1.00 0.00 C ATOM 1041 C SER A 75 3.862 -8.355 -1.034 1.00 0.00 C ATOM 1042 O SER A 75 4.389 -9.462 -0.941 1.00 0.00 O ATOM 1043 CB SER A 75 3.640 -7.180 1.174 1.00 0.00 C ATOM 1044 OG SER A 75 3.751 -8.015 2.323 1.00 0.00 O ATOM 0 H SER A 75 2.625 -9.833 0.711 1.00 0.00 H new ATOM 0 HA SER A 75 2.205 -7.138 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.636 -6.902 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.127 -6.257 1.445 1.00 0.00 H new ATOM 0 HG SER A 75 4.242 -7.540 3.026 1.00 0.00 H new ATOM 1049 N ALA A 76 4.077 -7.502 -2.025 1.00 0.00 N ATOM 1050 CA ALA A 76 4.983 -7.832 -3.113 1.00 0.00 C ATOM 1051 C ALA A 76 5.670 -6.556 -3.603 1.00 0.00 C ATOM 1052 O ALA A 76 5.020 -5.527 -3.783 1.00 0.00 O ATOM 1053 CB ALA A 76 4.211 -8.543 -4.225 1.00 0.00 C ATOM 0 H ALA A 76 3.640 -6.583 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 76 5.761 -8.515 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.891 -8.790 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.768 -9.458 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.422 -7.888 -4.596 1.00 0.00 H new ATOM 1059 N THR A 77 6.975 -6.664 -3.805 1.00 0.00 N ATOM 1060 CA THR A 77 7.757 -5.531 -4.272 1.00 0.00 C ATOM 1061 C THR A 77 7.742 -5.466 -5.800 1.00 0.00 C ATOM 1062 O THR A 77 8.259 -6.360 -6.468 1.00 0.00 O ATOM 1063 CB THR A 77 9.163 -5.653 -3.682 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.956 -5.590 -2.274 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.033 -4.431 -3.985 1.00 0.00 C ATOM 0 H THR A 77 7.511 -7.519 -3.654 1.00 0.00 H new ATOM 0 HA THR A 77 7.328 -4.588 -3.935 1.00 0.00 H new ATOM 0 HB THR A 77 9.644 -6.549 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.818 -5.664 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.020 -4.569 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.131 -4.313 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.568 -3.540 -3.563 1.00 0.00 H new ATOM 1073 N ILE A 78 7.144 -4.399 -6.309 1.00 0.00 N ATOM 1074 CA ILE A 78 7.056 -4.206 -7.747 1.00 0.00 C ATOM 1075 C ILE A 78 8.425 -3.791 -8.287 1.00 0.00 C ATOM 1076 O ILE A 78 9.232 -3.210 -7.562 1.00 0.00 O ATOM 1077 CB ILE A 78 5.936 -3.219 -8.087 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.646 -3.578 -7.346 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.723 -3.132 -9.599 1.00 0.00 C ATOM 1080 CD1 ILE A 78 3.872 -4.669 -8.090 1.00 0.00 C ATOM 0 H ILE A 78 6.716 -3.659 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 78 6.788 -5.140 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 78 6.238 -2.228 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.884 -3.919 -6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.022 -2.690 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.922 -2.424 -9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.643 -2.795 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.452 -4.115 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.960 -4.906 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.615 -4.316 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.490 -5.564 -8.169 1.00 0.00 H new ATOM 1091 N THR A 79 8.645 -4.104 -9.555 1.00 0.00 N ATOM 1092 CA THR A 79 9.904 -3.772 -10.200 1.00 0.00 C ATOM 1093 C THR A 79 9.653 -3.208 -11.601 1.00 0.00 C ATOM 1094 O THR A 79 8.512 -3.153 -12.055 1.00 0.00 O ATOM 1095 CB THR A 79 10.783 -5.024 -10.198 1.00 0.00 C ATOM 1096 OG1 THR A 79 9.873 -6.087 -10.464 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.337 -5.347 -8.809 1.00 0.00 C ATOM 0 H THR A 79 7.973 -4.584 -10.153 1.00 0.00 H new ATOM 0 HA THR A 79 10.431 -2.988 -9.657 1.00 0.00 H new ATOM 0 HB THR A 79 11.609 -4.889 -10.896 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.360 -6.937 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.954 -6.244 -8.863 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.941 -4.512 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.511 -5.516 -8.118 1.00 0.00 H new ATOM 1105 N GLU A 80 10.738 -2.805 -12.245 1.00 0.00 N ATOM 1106 CA GLU A 80 10.649 -2.248 -13.585 1.00 0.00 C ATOM 1107 C GLU A 80 9.755 -1.007 -13.585 1.00 0.00 C ATOM 1108 O GLU A 80 8.730 -0.976 -14.265 1.00 0.00 O ATOM 1109 CB GLU A 80 10.138 -3.292 -14.580 1.00 0.00 C ATOM 1110 CG GLU A 80 11.247 -4.277 -14.958 1.00 0.00 C ATOM 1111 CD GLU A 80 10.845 -5.112 -16.175 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.082 -6.080 -15.972 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.313 -4.763 -17.281 1.00 0.00 O ATOM 0 H GLU A 80 11.683 -2.853 -11.865 1.00 0.00 H new ATOM 0 HA GLU A 80 11.649 -1.952 -13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.298 -3.834 -14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.767 -2.795 -15.476 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.165 -3.731 -15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.458 -4.934 -14.115 1.00 0.00 H new ATOM 1118 N LEU A 81 10.175 -0.013 -12.815 1.00 0.00 N ATOM 1119 CA LEU A 81 9.425 1.227 -12.719 1.00 0.00 C ATOM 1120 C LEU A 81 10.324 2.395 -13.129 1.00 0.00 C ATOM 1121 O LEU A 81 11.515 2.405 -12.820 1.00 0.00 O ATOM 1122 CB LEU A 81 8.819 1.380 -11.322 1.00 0.00 C ATOM 1123 CG LEU A 81 7.735 0.366 -10.947 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.428 0.420 -9.449 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.479 0.567 -11.797 1.00 0.00 C ATOM 0 H LEU A 81 11.025 -0.042 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 81 8.581 1.216 -13.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.623 1.311 -10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.397 2.381 -11.238 1.00 0.00 H new ATOM 0 HG LEU A 81 8.113 -0.633 -11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.655 -0.310 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.331 0.190 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.079 1.418 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.725 -0.166 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.088 1.572 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.728 0.439 -12.850 1.00 0.00 H new ATOM 1136 N VAL A 82 9.719 3.352 -13.817 1.00 0.00 N ATOM 1137 CA VAL A 82 10.451 4.521 -14.273 1.00 0.00 C ATOM 1138 C VAL A 82 10.288 5.649 -13.253 1.00 0.00 C ATOM 1139 O VAL A 82 9.182 5.916 -12.787 1.00 0.00 O ATOM 1140 CB VAL A 82 9.986 4.915 -15.678 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.708 6.175 -16.160 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.180 3.760 -16.662 1.00 0.00 C ATOM 0 H VAL A 82 8.731 3.342 -14.070 1.00 0.00 H new ATOM 0 HA VAL A 82 11.516 4.300 -14.347 1.00 0.00 H new ATOM 0 HB VAL A 82 8.920 5.138 -15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.360 6.434 -17.160 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.497 6.999 -15.478 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.782 5.991 -16.186 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.842 4.065 -17.652 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.236 3.492 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.600 2.898 -16.331 1.00 0.00 H new ATOM 1152 N ILE A 83 11.409 6.282 -12.933 1.00 0.00 N ATOM 1153 CA ILE A 83 11.404 7.373 -11.975 1.00 0.00 C ATOM 1154 C ILE A 83 10.937 8.654 -12.671 1.00 0.00 C ATOM 1155 O ILE A 83 11.514 9.066 -13.675 1.00 0.00 O ATOM 1156 CB ILE A 83 12.773 7.504 -11.304 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.182 6.190 -10.633 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.794 8.678 -10.324 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.610 6.272 -10.092 1.00 0.00 C ATOM 0 H ILE A 83 12.326 6.059 -13.321 1.00 0.00 H new ATOM 0 HA ILE A 83 10.698 7.169 -11.170 1.00 0.00 H new ATOM 0 HB ILE A 83 13.513 7.716 -12.076 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.493 5.964 -9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.107 5.373 -11.350 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.778 8.748 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.578 9.603 -10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.041 8.521 -9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.875 5.326 -9.620 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.299 6.474 -10.912 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.675 7.074 -9.357 1.00 0.00 H new ATOM 1170 N GLY A 84 9.894 9.248 -12.108 1.00 0.00 N ATOM 1171 CA GLY A 84 9.342 10.473 -12.662 1.00 0.00 C ATOM 1172 C GLY A 84 7.962 10.224 -13.274 1.00 0.00 C ATOM 1173 O GLY A 84 7.611 10.828 -14.288 1.00 0.00 O ATOM 0 H GLY A 84 9.417 8.904 -11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.266 11.228 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.015 10.868 -13.423 1.00 0.00 H new ATOM 1177 N ASN A 85 7.216 9.336 -12.634 1.00 0.00 N ATOM 1178 CA ASN A 85 5.883 9.001 -13.102 1.00 0.00 C ATOM 1179 C ASN A 85 5.122 8.280 -11.989 1.00 0.00 C ATOM 1180 O ASN A 85 5.681 8.001 -10.929 1.00 0.00 O ATOM 1181 CB ASN A 85 5.943 8.069 -14.315 1.00 0.00 C ATOM 1182 CG ASN A 85 6.099 8.865 -15.611 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.166 9.469 -16.116 1.00 0.00 O ATOM 1184 ND2 ASN A 85 7.327 8.834 -16.121 1.00 0.00 N ATOM 0 H ASN A 85 7.510 8.838 -11.794 1.00 0.00 H new ATOM 0 HA ASN A 85 5.382 9.927 -13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.779 7.378 -14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.035 7.467 -14.361 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.533 9.335 -16.985 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.063 8.309 -15.648 1.00 0.00 H new ATOM 1190 N GLU A 86 3.857 7.998 -12.266 1.00 0.00 N ATOM 1191 CA GLU A 86 3.013 7.315 -11.300 1.00 0.00 C ATOM 1192 C GLU A 86 2.427 6.042 -11.915 1.00 0.00 C ATOM 1193 O GLU A 86 2.461 5.863 -13.132 1.00 0.00 O ATOM 1194 CB GLU A 86 1.904 8.238 -10.790 1.00 0.00 C ATOM 1195 CG GLU A 86 1.034 8.739 -11.944 1.00 0.00 C ATOM 1196 CD GLU A 86 0.874 10.260 -11.890 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.856 10.920 -11.485 1.00 0.00 O ATOM 1198 OE2 GLU A 86 -0.226 10.728 -12.254 1.00 0.00 O ATOM 0 H GLU A 86 3.396 8.230 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 86 3.627 7.034 -10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.285 7.705 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.344 9.087 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.483 8.451 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.054 8.265 -11.898 1.00 0.00 H new ATOM 1203 N TYR A 87 1.901 5.191 -11.046 1.00 0.00 N ATOM 1204 CA TYR A 87 1.308 3.940 -11.488 1.00 0.00 C ATOM 1205 C TYR A 87 0.251 3.454 -10.495 1.00 0.00 C ATOM 1206 O TYR A 87 0.248 3.865 -9.335 1.00 0.00 O ATOM 1207 CB TYR A 87 2.451 2.925 -11.536 1.00 0.00 C ATOM 1208 CG TYR A 87 3.552 3.274 -12.540 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.617 4.060 -12.152 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.479 2.801 -13.835 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.653 4.389 -13.097 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.515 3.129 -14.781 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.550 3.907 -14.365 1.00 0.00 C ATOM 1214 OH TYR A 87 6.528 4.217 -15.258 1.00 0.00 O ATOM 0 H TYR A 87 1.873 5.343 -10.038 1.00 0.00 H new ATOM 0 HA TYR A 87 0.821 4.066 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.892 2.843 -10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.043 1.946 -11.786 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.674 4.429 -11.139 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.645 2.185 -14.139 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.492 5.004 -12.806 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.471 2.765 -15.797 1.00 0.00 H new ATOM 0 HH TYR A 87 6.324 3.804 -16.123 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.621 2.586 -10.986 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.681 2.038 -10.156 1.00 0.00 C ATOM 1225 C TYR A 88 -1.429 0.560 -9.849 1.00 0.00 C ATOM 1226 O TYR A 88 -0.506 -0.043 -10.395 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.966 2.165 -10.976 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.599 3.557 -10.929 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -4.072 4.060 -9.734 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.695 4.311 -12.081 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.668 5.371 -9.690 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.290 5.621 -12.037 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.747 6.087 -10.844 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.310 7.324 -10.802 1.00 0.00 O ATOM 0 H TYR A 88 -0.615 2.248 -11.948 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.737 2.568 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.749 1.910 -12.013 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.690 1.435 -10.613 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.995 3.471 -8.832 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.324 3.918 -13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.044 5.776 -8.762 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.372 6.220 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.298 7.719 -11.699 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.267 0.019 -8.977 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.147 -1.376 -8.591 1.00 0.00 C ATOM 1245 C PHE A 89 -3.468 -1.906 -8.031 1.00 0.00 C ATOM 1246 O PHE A 89 -4.227 -1.161 -7.411 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.078 -1.448 -7.499 1.00 0.00 C ATOM 1248 CG PHE A 89 0.265 -0.835 -7.901 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.127 -1.537 -8.683 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.596 0.414 -7.475 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.373 -0.967 -9.055 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.842 0.985 -7.848 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.704 0.281 -8.630 1.00 0.00 C ATOM 0 H PHE A 89 -3.032 0.522 -8.527 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.883 -1.980 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.447 -0.937 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.922 -2.492 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.864 -2.528 -9.021 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.089 0.971 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.058 -1.525 -9.676 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.105 1.977 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.652 0.714 -8.913 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.704 -3.188 -8.269 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.922 -3.825 -7.796 1.00 0.00 C ATOM 1264 C ARG A 90 -4.684 -5.319 -7.570 1.00 0.00 C ATOM 1265 O ARG A 90 -4.146 -6.004 -8.437 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.064 -3.642 -8.797 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.761 -4.362 -10.112 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.418 -3.645 -11.294 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.056 -4.631 -12.193 1.00 0.00 N ATOM 1270 CZ ARG A 90 -6.415 -5.276 -13.177 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -5.113 -5.041 -13.395 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -7.074 -6.154 -13.945 1.00 0.00 N ATOM 0 H ARG A 90 -3.073 -3.803 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.201 -3.351 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.990 -4.028 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.219 -2.580 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.683 -4.410 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.121 -5.389 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.162 -2.936 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.671 -3.071 -11.842 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.046 -4.833 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.611 -4.371 -12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.625 -5.532 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.065 -6.332 -13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.585 -6.644 -14.694 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.099 -5.782 -6.400 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.939 -7.183 -6.049 1.00 0.00 C ATOM 1285 C VAL A 91 -6.246 -7.927 -6.329 1.00 0.00 C ATOM 1286 O VAL A 91 -7.327 -7.354 -6.214 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.479 -7.309 -4.594 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.460 -8.773 -4.151 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.109 -6.658 -4.394 1.00 0.00 C ATOM 0 H VAL A 91 -5.546 -5.211 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.165 -7.644 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.196 -6.778 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.130 -8.835 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.462 -9.193 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.774 -9.336 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.806 -6.761 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.376 -7.148 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.168 -5.600 -4.651 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.102 -9.193 -6.692 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.258 -10.022 -6.991 1.00 0.00 C ATOM 1301 C PHE A 92 -7.281 -11.269 -6.104 1.00 0.00 C ATOM 1302 O PHE A 92 -6.237 -11.853 -5.819 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.133 -10.453 -8.453 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.591 -9.391 -9.455 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -8.913 -9.247 -9.739 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -6.674 -8.589 -10.062 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.337 -8.262 -10.669 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.098 -7.604 -10.992 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.421 -7.460 -11.276 1.00 0.00 C ATOM 0 H PHE A 92 -5.203 -9.665 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.175 -9.462 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.093 -10.708 -8.659 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.719 -11.359 -8.606 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.641 -9.883 -9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.624 -8.702 -9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.387 -8.149 -10.895 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.370 -6.968 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.744 -6.710 -11.983 1.00 0.00 H new ATOM 1318 N SER A 93 -8.484 -11.640 -5.692 1.00 0.00 N ATOM 1319 CA SER A 93 -8.658 -12.808 -4.845 1.00 0.00 C ATOM 1320 C SER A 93 -8.893 -14.050 -5.706 1.00 0.00 C ATOM 1321 O SER A 93 -9.981 -14.235 -6.249 1.00 0.00 O ATOM 1322 CB SER A 93 -9.819 -12.611 -3.867 1.00 0.00 C ATOM 1323 OG SER A 93 -9.572 -11.546 -2.952 1.00 0.00 O ATOM 0 H SER A 93 -9.348 -11.152 -5.929 1.00 0.00 H new ATOM 0 HA SER A 93 -7.747 -12.946 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.732 -12.405 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.986 -13.534 -3.312 1.00 0.00 H new ATOM 0 HG SER A 93 -10.381 -11.001 -2.858 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.856 -14.869 -5.803 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.937 -16.089 -6.589 1.00 0.00 C ATOM 1330 C GLU A 94 -8.429 -17.247 -5.720 1.00 0.00 C ATOM 1331 O GLU A 94 -8.538 -17.114 -4.503 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.588 -16.417 -7.230 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.412 -15.670 -8.553 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.571 -14.161 -8.356 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -5.550 -13.522 -8.025 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.711 -13.682 -8.541 1.00 0.00 O ATOM 0 H GLU A 94 -6.955 -14.712 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.656 -15.934 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.782 -16.148 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.515 -17.491 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.427 -15.884 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.146 -16.025 -9.276 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.715 -18.360 -6.381 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.192 -19.542 -5.685 1.00 0.00 C ATOM 1343 C ASN A 95 -9.485 -20.646 -6.704 1.00 0.00 C ATOM 1344 O ASN A 95 -9.060 -20.562 -7.855 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.486 -19.247 -4.923 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.652 -19.024 -5.887 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -12.693 -19.655 -5.800 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.421 -18.095 -6.810 1.00 0.00 N ATOM 0 H ASN A 95 -8.625 -18.467 -7.391 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.421 -19.853 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.716 -20.077 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.351 -18.363 -4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.138 -17.874 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.527 -17.604 -6.827 1.00 0.00 H new ATOM 1354 N MET A 96 -10.212 -21.654 -6.244 1.00 0.00 N ATOM 1355 CA MET A 96 -10.567 -22.773 -7.101 1.00 0.00 C ATOM 1356 C MET A 96 -11.780 -22.435 -7.968 1.00 0.00 C ATOM 1357 O MET A 96 -12.782 -23.149 -7.947 1.00 0.00 O ATOM 1358 CB MET A 96 -10.880 -23.997 -6.239 1.00 0.00 C ATOM 1359 CG MET A 96 -12.198 -23.813 -5.484 1.00 0.00 C ATOM 1360 SD MET A 96 -11.987 -24.262 -3.769 1.00 0.00 S ATOM 1361 CE MET A 96 -13.551 -25.069 -3.466 1.00 0.00 C ATOM 0 H MET A 96 -10.565 -21.719 -5.289 1.00 0.00 H new ATOM 0 HA MET A 96 -9.723 -22.986 -7.757 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.938 -24.885 -6.869 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.070 -24.163 -5.529 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.528 -22.777 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.975 -24.429 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 96 -13.588 -25.414 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 96 -14.364 -24.365 -3.643 1.00 0.00 H new ATOM 0 HE3 MET A 96 -13.657 -25.921 -4.137 1.00 0.00 H new ATOM 1369 N CYS A 97 -11.651 -21.346 -8.712 1.00 0.00 N ATOM 1370 CA CYS A 97 -12.725 -20.905 -9.586 1.00 0.00 C ATOM 1371 C CYS A 97 -12.130 -19.985 -10.653 1.00 0.00 C ATOM 1372 O CYS A 97 -11.998 -20.374 -11.812 1.00 0.00 O ATOM 1373 CB CYS A 97 -13.847 -20.219 -8.802 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.391 -21.192 -8.938 1.00 0.00 S ATOM 0 H CYS A 97 -10.819 -20.756 -8.728 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.183 -21.769 -10.068 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.562 -20.119 -7.755 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.007 -19.212 -9.186 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.336 -20.602 -8.267 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.785 -18.779 -10.224 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.206 -17.800 -11.127 1.00 0.00 C ATOM 1381 C GLY A 98 -11.038 -16.446 -10.434 1.00 0.00 C ATOM 1382 O GLY A 98 -11.599 -16.219 -9.363 1.00 0.00 O ATOM 0 H GLY A 98 -11.896 -18.458 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.238 -18.154 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.844 -17.687 -12.004 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.264 -15.582 -11.073 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.014 -14.257 -10.532 1.00 0.00 C ATOM 1388 C LEU A 99 -11.350 -13.554 -10.283 1.00 0.00 C ATOM 1389 O LEU A 99 -12.390 -13.998 -10.767 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.068 -13.475 -11.445 1.00 0.00 C ATOM 1391 CG LEU A 99 -7.618 -13.962 -11.483 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.350 -14.786 -12.745 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -6.642 -12.791 -11.346 1.00 0.00 C ATOM 0 H LEU A 99 -9.801 -15.774 -11.961 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.505 -14.327 -9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.467 -13.504 -12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.072 -12.431 -11.131 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.456 -14.618 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.312 -15.120 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.011 -15.653 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.536 -14.172 -13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.619 -13.165 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.797 -12.091 -12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.815 -12.282 -10.398 1.00 0.00 H new ATOM 1404 N SER A 100 -11.278 -12.467 -9.528 1.00 0.00 N ATOM 1405 CA SER A 100 -12.469 -11.698 -9.209 1.00 0.00 C ATOM 1406 C SER A 100 -12.865 -10.827 -10.403 1.00 0.00 C ATOM 1407 O SER A 100 -12.077 -10.642 -11.329 1.00 0.00 O ATOM 1408 CB SER A 100 -12.247 -10.828 -7.969 1.00 0.00 C ATOM 1409 OG SER A 100 -12.939 -9.586 -8.057 1.00 0.00 O ATOM 0 H SER A 100 -10.414 -12.101 -9.128 1.00 0.00 H new ATOM 0 HA SER A 100 -13.278 -12.395 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.582 -11.367 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.181 -10.641 -7.844 1.00 0.00 H new ATOM 0 HG SER A 100 -12.323 -8.853 -7.849 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.085 -10.315 -10.342 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.596 -9.469 -11.408 1.00 0.00 C ATOM 1416 C GLU A 101 -13.846 -8.135 -11.432 1.00 0.00 C ATOM 1417 O GLU A 101 -13.834 -7.444 -12.448 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.103 -9.248 -11.257 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.875 -9.965 -12.366 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.520 -8.961 -13.324 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -16.780 -8.446 -14.189 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.739 -8.731 -13.167 1.00 0.00 O ATOM 0 H GLU A 101 -14.735 -10.469 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.429 -9.975 -12.359 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.432 -9.614 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.323 -8.181 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.201 -10.619 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.645 -10.599 -11.926 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.238 -7.814 -10.299 1.00 0.00 N ATOM 1428 CA ASP A 102 -12.487 -6.577 -10.178 1.00 0.00 C ATOM 1429 C ASP A 102 -11.444 -6.724 -9.068 1.00 0.00 C ATOM 1430 O ASP A 102 -11.446 -7.713 -8.337 1.00 0.00 O ATOM 1431 CB ASP A 102 -13.406 -5.410 -9.810 1.00 0.00 C ATOM 1432 CG ASP A 102 -12.722 -4.042 -9.751 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -12.126 -3.660 -10.783 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -12.809 -3.409 -8.677 1.00 0.00 O ATOM 0 H ASP A 102 -13.251 -8.390 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.012 -6.375 -11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.217 -5.363 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.859 -5.615 -8.840 1.00 0.00 H new ATOM 1438 N ALA A 103 -10.577 -5.726 -8.978 1.00 0.00 N ATOM 1439 CA ALA A 103 -9.531 -5.733 -7.970 1.00 0.00 C ATOM 1440 C ALA A 103 -9.503 -4.378 -7.260 1.00 0.00 C ATOM 1441 O ALA A 103 -9.553 -3.333 -7.907 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.192 -6.074 -8.626 1.00 0.00 C ATOM 0 H ALA A 103 -10.578 -4.907 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.729 -6.496 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.407 -6.079 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.255 -7.058 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.959 -5.328 -9.386 1.00 0.00 H new ATOM 1448 N THR A 104 -9.425 -4.439 -5.939 1.00 0.00 N ATOM 1449 CA THR A 104 -9.390 -3.230 -5.135 1.00 0.00 C ATOM 1450 C THR A 104 -8.121 -2.427 -5.431 1.00 0.00 C ATOM 1451 O THR A 104 -7.048 -2.747 -4.922 1.00 0.00 O ATOM 1452 CB THR A 104 -9.523 -3.635 -3.665 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.884 -4.039 -3.539 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.397 -2.442 -2.715 1.00 0.00 C ATOM 0 H THR A 104 -9.385 -5.307 -5.405 1.00 0.00 H new ATOM 0 HA THR A 104 -10.220 -2.568 -5.382 1.00 0.00 H new ATOM 0 HB THR A 104 -8.760 -4.374 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.101 -4.167 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.499 -2.785 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.422 -1.973 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.181 -1.717 -2.935 1.00 0.00 H new ATOM 1462 N MET A 105 -8.286 -1.402 -6.253 1.00 0.00 N ATOM 1463 CA MET A 105 -7.168 -0.553 -6.624 1.00 0.00 C ATOM 1464 C MET A 105 -6.906 0.508 -5.551 1.00 0.00 C ATOM 1465 O MET A 105 -7.843 1.054 -4.973 1.00 0.00 O ATOM 1466 CB MET A 105 -7.467 0.133 -7.958 1.00 0.00 C ATOM 1467 CG MET A 105 -6.294 1.012 -8.398 1.00 0.00 C ATOM 1468 SD MET A 105 -6.854 2.683 -8.682 1.00 0.00 S ATOM 1469 CE MET A 105 -6.927 2.687 -10.465 1.00 0.00 C ATOM 0 H MET A 105 -9.178 -1.140 -6.673 1.00 0.00 H new ATOM 0 HA MET A 105 -6.279 -1.176 -6.718 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.668 -0.619 -8.721 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.367 0.741 -7.865 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.517 1.005 -7.633 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.849 0.610 -9.308 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.034 3.711 -10.822 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.010 2.256 -10.868 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.781 2.096 -10.795 1.00 0.00 H new ATOM 1477 N THR A 106 -5.627 0.766 -5.320 1.00 0.00 N ATOM 1478 CA THR A 106 -5.229 1.750 -4.328 1.00 0.00 C ATOM 1479 C THR A 106 -5.958 3.074 -4.569 1.00 0.00 C ATOM 1480 O THR A 106 -5.874 3.644 -5.657 1.00 0.00 O ATOM 1481 CB THR A 106 -3.705 1.879 -4.372 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.416 2.103 -5.750 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.998 0.560 -4.053 1.00 0.00 C ATOM 0 H THR A 106 -4.853 0.310 -5.803 1.00 0.00 H new ATOM 0 HA THR A 106 -5.513 1.436 -3.324 1.00 0.00 H new ATOM 0 HB THR A 106 -3.384 2.644 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.619 3.034 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.919 0.706 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.279 0.229 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.292 -0.196 -4.781 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.656 3.525 -3.537 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.399 4.771 -3.625 1.00 0.00 C ATOM 1493 C LYS A 107 -6.554 5.813 -4.359 1.00 0.00 C ATOM 1494 O LYS A 107 -7.092 6.688 -5.037 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.857 5.220 -2.235 1.00 0.00 C ATOM 1496 CG LYS A 107 -9.384 5.262 -2.148 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.901 6.693 -2.311 1.00 0.00 C ATOM 1498 CE LYS A 107 -11.214 6.892 -1.551 1.00 0.00 C ATOM 1499 NZ LYS A 107 -12.369 6.548 -2.410 1.00 0.00 N ATOM 0 H LYS A 107 -6.723 3.051 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.310 4.631 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.465 4.538 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.449 6.207 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.814 4.625 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.709 4.861 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.154 7.397 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.052 6.911 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.221 6.269 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.296 7.927 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.251 6.689 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.370 7.160 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.298 5.553 -2.705 1.00 0.00 H new ATOM 1509 N GLU A 108 -5.245 5.686 -4.200 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.320 6.607 -4.839 1.00 0.00 C ATOM 1511 C GLU A 108 -3.264 5.833 -5.631 1.00 0.00 C ATOM 1512 O GLU A 108 -3.275 4.604 -5.651 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.666 7.531 -3.810 1.00 0.00 C ATOM 1514 CG GLU A 108 -2.651 6.769 -2.957 1.00 0.00 C ATOM 1515 CD GLU A 108 -2.052 7.675 -1.877 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -1.420 8.680 -2.266 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -2.242 7.340 -0.688 1.00 0.00 O ATOM 0 H GLU A 108 -4.803 4.959 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.882 7.232 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.170 8.357 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.432 7.967 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.134 5.911 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.856 6.380 -3.593 1.00 0.00 H new ATOM 1522 N SER A 109 -2.377 6.586 -6.265 1.00 0.00 N ATOM 1523 CA SER A 109 -1.316 5.986 -7.056 1.00 0.00 C ATOM 1524 C SER A 109 0.025 6.141 -6.336 1.00 0.00 C ATOM 1525 O SER A 109 0.120 6.853 -5.338 1.00 0.00 O ATOM 1526 CB SER A 109 -1.246 6.614 -8.450 1.00 0.00 C ATOM 1527 OG SER A 109 -1.161 8.036 -8.391 1.00 0.00 O ATOM 0 H SER A 109 -2.371 7.606 -6.247 1.00 0.00 H new ATOM 0 HA SER A 109 -1.536 4.925 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.380 6.221 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.128 6.327 -9.022 1.00 0.00 H new ATOM 0 HG SER A 109 -1.116 8.399 -9.300 1.00 0.00 H new ATOM 1532 N ALA A 110 1.030 5.461 -6.871 1.00 0.00 N ATOM 1533 CA ALA A 110 2.361 5.514 -6.292 1.00 0.00 C ATOM 1534 C ALA A 110 3.286 6.300 -7.222 1.00 0.00 C ATOM 1535 O ALA A 110 3.492 5.914 -8.371 1.00 0.00 O ATOM 1536 CB ALA A 110 2.863 4.092 -6.035 1.00 0.00 C ATOM 0 H ALA A 110 0.948 4.871 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 110 2.342 6.031 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.862 4.132 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.187 3.587 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.898 3.543 -6.976 1.00 0.00 H new ATOM 1542 N VAL A 111 3.820 7.391 -6.690 1.00 0.00 N ATOM 1543 CA VAL A 111 4.718 8.235 -7.459 1.00 0.00 C ATOM 1544 C VAL A 111 6.158 7.760 -7.253 1.00 0.00 C ATOM 1545 O VAL A 111 6.655 7.739 -6.129 1.00 0.00 O ATOM 1546 CB VAL A 111 4.513 9.702 -7.077 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.552 10.597 -7.755 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.093 10.162 -7.410 1.00 0.00 C ATOM 0 H VAL A 111 3.648 7.709 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 111 4.498 8.156 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 111 4.649 9.789 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.383 11.634 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.552 10.293 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.463 10.503 -8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.974 11.208 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.916 10.052 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.375 9.554 -6.859 1.00 0.00 H new ATOM 1558 N ILE A 112 6.788 7.390 -8.359 1.00 0.00 N ATOM 1559 CA ILE A 112 8.162 6.916 -8.314 1.00 0.00 C ATOM 1560 C ILE A 112 9.096 8.099 -8.051 1.00 0.00 C ATOM 1561 O ILE A 112 8.783 9.233 -8.407 1.00 0.00 O ATOM 1562 CB ILE A 112 8.500 6.136 -9.587 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.412 5.111 -9.908 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.884 5.489 -9.480 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.282 4.078 -8.786 1.00 0.00 C ATOM 0 H ILE A 112 6.373 7.409 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 112 8.297 6.214 -7.491 1.00 0.00 H new ATOM 0 HB ILE A 112 8.535 6.838 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.459 5.620 -10.050 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.648 4.607 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.101 4.941 -10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.637 6.263 -9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.900 4.802 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.501 3.361 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.230 3.554 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.022 4.582 -7.855 1.00 0.00 H new ATOM 1576 N ALA A 113 10.225 7.792 -7.427 1.00 0.00 N ATOM 1577 CA ALA A 113 11.207 8.815 -7.112 1.00 0.00 C ATOM 1578 C ALA A 113 12.446 8.155 -6.504 1.00 0.00 C ATOM 1579 O ALA A 113 12.348 7.102 -5.876 1.00 0.00 O ATOM 1580 CB ALA A 113 10.581 9.853 -6.179 1.00 0.00 C ATOM 0 H ALA A 113 10.481 6.850 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 113 11.522 9.337 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.318 10.621 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.723 10.312 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.256 9.367 -5.259 1.00 0.00 H new