USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 143:sc= -0.848! USER MOD Set 1.2: A 80 ASN : amide:sc= -2.27 K(o=-2.9,f=-5.4!) USER MOD Set 1.3: A 97 THR OG1 : rot 40:sc= 0.239 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-9.9!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 53 SER OG : rot 151:sc= 0.481 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -0.155 (180deg=-0.777) USER MOD Single : A 57 CYS SG : rot 29:sc= 1.13 USER MOD Single : A 58 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -122:sc= -0.506 (180deg=-2.28!) USER MOD Single : A 70 THR OG1 : rot -88:sc= 0.237 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= -0.3 (180deg=-1.41) USER MOD Single : A 77 SER OG : rot 84:sc= 1.09 USER MOD Single : A 81 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 83 CYS SG : rot 80:sc= -0.184 USER MOD Single : A 87 CYS SG : rot 150:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.298 K(o=-0.3,f=-2) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= -0.0101 (180deg=-0.222) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 107 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -3.851 3.661 3.163 1.00 34.33 N ATOM 178 CA ALA A 13 -2.833 2.823 3.784 1.00 72.41 C ATOM 179 C ALA A 13 -3.467 1.692 4.587 1.00 72.31 C ATOM 180 O ALA A 13 -2.961 0.569 4.602 1.00 1.51 O ATOM 181 CB ALA A 13 -1.930 3.663 4.674 1.00 13.12 C ATOM 0 HA ALA A 13 -2.232 2.377 2.992 1.00 72.41 H new ATOM 0 HB1 ALA A 13 -1.174 3.025 5.132 1.00 13.12 H new ATOM 0 HB2 ALA A 13 -1.441 4.431 4.075 1.00 13.12 H new ATOM 0 HB3 ALA A 13 -2.526 4.136 5.454 1.00 13.12 H new ATOM 187 N ASP A 14 -4.575 1.995 5.254 1.00 4.00 N ATOM 188 CA ASP A 14 -5.279 1.003 6.059 1.00 42.23 C ATOM 189 C ASP A 14 -5.574 -0.251 5.241 1.00 0.30 C ATOM 190 O ASP A 14 -5.253 -1.363 5.657 1.00 5.15 O ATOM 191 CB ASP A 14 -6.581 1.590 6.605 1.00 21.54 C ATOM 192 CG ASP A 14 -7.340 0.605 7.472 1.00 62.31 C ATOM 193 OD1 ASP A 14 -7.903 -0.364 6.919 1.00 45.34 O ATOM 194 OD2 ASP A 14 -7.372 0.801 8.705 1.00 73.03 O ATOM 0 H ASP A 14 -5.005 2.920 5.253 1.00 4.00 H new ATOM 0 HA ASP A 14 -4.636 0.726 6.895 1.00 42.23 H new ATOM 0 HB2 ASP A 14 -6.357 2.484 7.186 1.00 21.54 H new ATOM 0 HB3 ASP A 14 -7.213 1.900 5.773 1.00 21.54 H new ATOM 199 N GLU A 15 -6.188 -0.061 4.078 1.00 5.44 N ATOM 200 CA GLU A 15 -6.528 -1.177 3.204 1.00 2.20 C ATOM 201 C GLU A 15 -5.270 -1.907 2.740 1.00 74.32 C ATOM 202 O GLU A 15 -5.229 -3.138 2.709 1.00 31.03 O ATOM 203 CB GLU A 15 -7.320 -0.683 1.992 1.00 40.52 C ATOM 204 CG GLU A 15 -8.583 -1.483 1.723 1.00 62.22 C ATOM 205 CD GLU A 15 -8.340 -2.663 0.802 1.00 73.21 C ATOM 206 OE1 GLU A 15 -7.528 -3.540 1.164 1.00 22.01 O ATOM 207 OE2 GLU A 15 -8.962 -2.710 -0.281 1.00 32.04 O ATOM 0 H GLU A 15 -6.460 0.854 3.719 1.00 5.44 H new ATOM 0 HA GLU A 15 -7.144 -1.874 3.771 1.00 2.20 H new ATOM 0 HB2 GLU A 15 -7.588 0.362 2.145 1.00 40.52 H new ATOM 0 HB3 GLU A 15 -6.681 -0.722 1.110 1.00 40.52 H new ATOM 0 HG2 GLU A 15 -8.989 -1.842 2.668 1.00 62.22 H new ATOM 0 HG3 GLU A 15 -9.335 -0.830 1.280 1.00 62.22 H new ATOM 214 N LEU A 16 -4.248 -1.140 2.378 1.00 51.42 N ATOM 215 CA LEU A 16 -2.989 -1.712 1.914 1.00 42.01 C ATOM 216 C LEU A 16 -2.383 -2.625 2.975 1.00 5.40 C ATOM 217 O LEU A 16 -1.907 -3.717 2.669 1.00 74.33 O ATOM 218 CB LEU A 16 -2.001 -0.600 1.555 1.00 35.44 C ATOM 219 CG LEU A 16 -0.626 -1.055 1.069 1.00 41.34 C ATOM 220 CD1 LEU A 16 0.299 -1.313 2.246 1.00 5.34 C ATOM 221 CD2 LEU A 16 -0.751 -2.301 0.204 1.00 75.12 C ATOM 0 H LEU A 16 -4.266 -0.120 2.397 1.00 51.42 H new ATOM 0 HA LEU A 16 -3.194 -2.306 1.024 1.00 42.01 H new ATOM 0 HB2 LEU A 16 -2.450 0.022 0.781 1.00 35.44 H new ATOM 0 HB3 LEU A 16 -1.863 0.033 2.432 1.00 35.44 H new ATOM 0 HG LEU A 16 -0.195 -0.258 0.463 1.00 41.34 H new ATOM 0 HD11 LEU A 16 1.273 -1.636 1.879 1.00 5.34 H new ATOM 0 HD12 LEU A 16 0.415 -0.397 2.825 1.00 5.34 H new ATOM 0 HD13 LEU A 16 -0.127 -2.091 2.879 1.00 5.34 H new ATOM 0 HD21 LEU A 16 0.238 -2.611 -0.133 1.00 75.12 H new ATOM 0 HD22 LEU A 16 -1.204 -3.104 0.786 1.00 75.12 H new ATOM 0 HD23 LEU A 16 -1.377 -2.082 -0.661 1.00 75.12 H new ATOM 233 N GLU A 17 -2.403 -2.168 4.223 1.00 34.12 N ATOM 234 CA GLU A 17 -1.856 -2.944 5.329 1.00 64.20 C ATOM 235 C GLU A 17 -2.805 -4.072 5.724 1.00 31.52 C ATOM 236 O GLU A 17 -2.473 -4.913 6.560 1.00 0.54 O ATOM 237 CB GLU A 17 -1.591 -2.040 6.535 1.00 74.21 C ATOM 238 CG GLU A 17 -0.152 -1.560 6.631 1.00 30.02 C ATOM 239 CD GLU A 17 0.234 -1.156 8.041 1.00 51.30 C ATOM 240 OE1 GLU A 17 0.018 0.020 8.401 1.00 14.51 O ATOM 241 OE2 GLU A 17 0.753 -2.016 8.783 1.00 1.20 O ATOM 0 H GLU A 17 -2.792 -1.265 4.493 1.00 34.12 H new ATOM 0 HA GLU A 17 -0.914 -3.383 5.000 1.00 64.20 H new ATOM 0 HB2 GLU A 17 -2.251 -1.174 6.482 1.00 74.21 H new ATOM 0 HB3 GLU A 17 -1.847 -2.580 7.447 1.00 74.21 H new ATOM 0 HG2 GLU A 17 0.515 -2.351 6.288 1.00 30.02 H new ATOM 0 HG3 GLU A 17 -0.010 -0.711 5.962 1.00 30.02 H new ATOM 248 N ARG A 18 -3.987 -4.083 5.117 1.00 2.41 N ATOM 249 CA ARG A 18 -4.985 -5.106 5.406 1.00 15.45 C ATOM 250 C ARG A 18 -4.814 -6.309 4.484 1.00 51.14 C ATOM 251 O ARG A 18 -5.033 -7.450 4.890 1.00 22.12 O ATOM 252 CB ARG A 18 -6.394 -4.530 5.255 1.00 55.42 C ATOM 253 CG ARG A 18 -7.457 -5.315 6.005 1.00 21.11 C ATOM 254 CD ARG A 18 -8.134 -4.463 7.068 1.00 71.23 C ATOM 255 NE ARG A 18 -7.451 -4.550 8.356 1.00 61.23 N ATOM 256 CZ ARG A 18 -7.548 -5.594 9.171 1.00 34.44 C ATOM 257 NH1 ARG A 18 -8.298 -6.636 8.833 1.00 2.41 N ATOM 258 NH2 ARG A 18 -6.897 -5.600 10.327 1.00 42.31 N ATOM 0 H ARG A 18 -4.277 -3.395 4.422 1.00 2.41 H new ATOM 0 HA ARG A 18 -4.843 -5.436 6.435 1.00 15.45 H new ATOM 0 HB2 ARG A 18 -6.396 -3.500 5.611 1.00 55.42 H new ATOM 0 HB3 ARG A 18 -6.654 -4.502 4.197 1.00 55.42 H new ATOM 0 HG2 ARG A 18 -8.204 -5.682 5.301 1.00 21.11 H new ATOM 0 HG3 ARG A 18 -7.003 -6.189 6.472 1.00 21.11 H new ATOM 0 HD2 ARG A 18 -8.157 -3.424 6.739 1.00 71.23 H new ATOM 0 HD3 ARG A 18 -9.169 -4.783 7.184 1.00 71.23 H new ATOM 0 HE ARG A 18 -6.867 -3.765 8.646 1.00 61.23 H new ATOM 0 HH11 ARG A 18 -8.801 -6.636 7.946 1.00 2.41 H new ATOM 0 HH12 ARG A 18 -8.371 -7.437 9.461 1.00 2.41 H new ATOM 0 HH21 ARG A 18 -6.320 -4.801 10.592 1.00 42.31 H new ATOM 0 HH22 ARG A 18 -6.973 -6.403 10.951 1.00 42.31 H new ATOM 272 N ILE A 19 -4.422 -6.045 3.242 1.00 11.31 N ATOM 273 CA ILE A 19 -4.221 -7.105 2.264 1.00 71.54 C ATOM 274 C ILE A 19 -3.294 -8.187 2.807 1.00 5.53 C ATOM 275 O ILE A 19 -2.308 -7.892 3.482 1.00 2.41 O ATOM 276 CB ILE A 19 -3.635 -6.555 0.949 1.00 71.40 C ATOM 277 CG1 ILE A 19 -4.546 -5.469 0.374 1.00 30.05 C ATOM 278 CG2 ILE A 19 -3.443 -7.681 -0.057 1.00 1.33 C ATOM 279 CD1 ILE A 19 -3.969 -4.777 -0.840 1.00 43.45 C ATOM 0 H ILE A 19 -4.237 -5.106 2.890 1.00 11.31 H new ATOM 0 HA ILE A 19 -5.201 -7.538 2.063 1.00 71.54 H new ATOM 0 HB ILE A 19 -2.662 -6.112 1.159 1.00 71.40 H new ATOM 0 HG12 ILE A 19 -5.505 -5.914 0.107 1.00 30.05 H new ATOM 0 HG13 ILE A 19 -4.744 -4.726 1.146 1.00 30.05 H new ATOM 0 HG21 ILE A 19 -3.029 -7.277 -0.981 1.00 1.33 H new ATOM 0 HG22 ILE A 19 -2.758 -8.423 0.354 1.00 1.33 H new ATOM 0 HG23 ILE A 19 -4.404 -8.150 -0.266 1.00 1.33 H new ATOM 0 HD11 ILE A 19 -4.669 -4.020 -1.194 1.00 43.45 H new ATOM 0 HD12 ILE A 19 -3.025 -4.302 -0.574 1.00 43.45 H new ATOM 0 HD13 ILE A 19 -3.797 -5.509 -1.629 1.00 43.45 H new ATOM 291 N ARG A 20 -3.616 -9.441 2.507 1.00 5.22 N ATOM 292 CA ARG A 20 -2.811 -10.567 2.965 1.00 34.11 C ATOM 293 C ARG A 20 -1.809 -10.990 1.895 1.00 72.54 C ATOM 294 O ARG A 20 -2.087 -10.898 0.698 1.00 31.51 O ATOM 295 CB ARG A 20 -3.711 -11.748 3.332 1.00 62.41 C ATOM 296 CG ARG A 20 -4.182 -11.729 4.777 1.00 24.21 C ATOM 297 CD ARG A 20 -3.010 -11.780 5.745 1.00 12.45 C ATOM 298 NE ARG A 20 -1.905 -12.579 5.225 1.00 64.20 N ATOM 299 CZ ARG A 20 -1.961 -13.896 5.065 1.00 22.44 C ATOM 300 NH1 ARG A 20 -3.064 -14.559 5.384 1.00 35.31 N ATOM 301 NH2 ARG A 20 -0.913 -14.554 4.585 1.00 31.52 N ATOM 0 H ARG A 20 -4.429 -9.703 1.949 1.00 5.22 H new ATOM 0 HA ARG A 20 -2.259 -10.251 3.850 1.00 34.11 H new ATOM 0 HB2 ARG A 20 -4.581 -11.749 2.675 1.00 62.41 H new ATOM 0 HB3 ARG A 20 -3.171 -12.677 3.147 1.00 62.41 H new ATOM 0 HG2 ARG A 20 -4.766 -10.827 4.959 1.00 24.21 H new ATOM 0 HG3 ARG A 20 -4.842 -12.578 4.957 1.00 24.21 H new ATOM 0 HD2 ARG A 20 -2.662 -10.767 5.946 1.00 12.45 H new ATOM 0 HD3 ARG A 20 -3.343 -12.197 6.695 1.00 12.45 H new ATOM 0 HE ARG A 20 -1.042 -12.099 4.970 1.00 64.20 H new ATOM 0 HH11 ARG A 20 -3.872 -14.057 5.753 1.00 35.31 H new ATOM 0 HH12 ARG A 20 -3.105 -15.571 5.260 1.00 35.31 H new ATOM 0 HH21 ARG A 20 -0.062 -14.048 4.338 1.00 31.52 H new ATOM 0 HH22 ARG A 20 -0.958 -15.566 4.463 1.00 31.52 H new ATOM 315 N LEU A 21 -0.644 -11.454 2.332 1.00 2.34 N ATOM 316 CA LEU A 21 0.400 -11.891 1.413 1.00 41.20 C ATOM 317 C LEU A 21 0.104 -13.288 0.877 1.00 51.43 C ATOM 318 O LEU A 21 0.458 -13.618 -0.255 1.00 4.32 O ATOM 319 CB LEU A 21 1.761 -11.879 2.111 1.00 32.34 C ATOM 320 CG LEU A 21 2.298 -10.504 2.512 1.00 11.33 C ATOM 321 CD1 LEU A 21 3.705 -10.624 3.074 1.00 5.32 C ATOM 322 CD2 LEU A 21 2.275 -9.555 1.323 1.00 12.01 C ATOM 0 H LEU A 21 -0.398 -11.537 3.318 1.00 2.34 H new ATOM 0 HA LEU A 21 0.423 -11.196 0.573 1.00 41.20 H new ATOM 0 HB2 LEU A 21 1.693 -12.496 3.007 1.00 32.34 H new ATOM 0 HB3 LEU A 21 2.489 -12.353 1.453 1.00 32.34 H new ATOM 0 HG LEU A 21 1.652 -10.095 3.289 1.00 11.33 H new ATOM 0 HD11 LEU A 21 4.071 -9.636 3.354 1.00 5.32 H new ATOM 0 HD12 LEU A 21 3.692 -11.268 3.953 1.00 5.32 H new ATOM 0 HD13 LEU A 21 4.363 -11.054 2.319 1.00 5.32 H new ATOM 0 HD21 LEU A 21 2.660 -8.582 1.627 1.00 12.01 H new ATOM 0 HD22 LEU A 21 2.897 -9.958 0.524 1.00 12.01 H new ATOM 0 HD23 LEU A 21 1.251 -9.444 0.966 1.00 12.01 H new ATOM 334 N ARG A 22 -0.551 -14.104 1.697 1.00 45.44 N ATOM 335 CA ARG A 22 -0.897 -15.465 1.305 1.00 62.04 C ATOM 336 C ARG A 22 -2.358 -15.768 1.623 1.00 23.53 C ATOM 337 O ARG A 22 -3.003 -15.075 2.409 1.00 74.10 O ATOM 338 CB ARG A 22 0.011 -16.470 2.016 1.00 11.05 C ATOM 339 CG ARG A 22 1.245 -16.851 1.214 1.00 31.24 C ATOM 340 CD ARG A 22 1.380 -18.361 1.084 1.00 13.44 C ATOM 341 NE ARG A 22 1.843 -18.756 -0.243 1.00 73.22 N ATOM 342 CZ ARG A 22 1.863 -20.014 -0.670 1.00 3.51 C ATOM 343 NH1 ARG A 22 1.448 -20.993 0.122 1.00 14.12 N ATOM 344 NH2 ARG A 22 2.299 -20.294 -1.891 1.00 1.33 N ATOM 0 H ARG A 22 -0.853 -13.846 2.637 1.00 45.44 H new ATOM 0 HA ARG A 22 -0.752 -15.554 0.228 1.00 62.04 H new ATOM 0 HB2 ARG A 22 0.325 -16.050 2.972 1.00 11.05 H new ATOM 0 HB3 ARG A 22 -0.561 -17.371 2.236 1.00 11.05 H new ATOM 0 HG2 ARG A 22 1.188 -16.403 0.222 1.00 31.24 H new ATOM 0 HG3 ARG A 22 2.134 -16.445 1.697 1.00 31.24 H new ATOM 0 HD2 ARG A 22 2.078 -18.729 1.836 1.00 13.44 H new ATOM 0 HD3 ARG A 22 0.417 -18.830 1.287 1.00 13.44 H new ATOM 0 HE ARG A 22 2.169 -18.026 -0.877 1.00 73.22 H new ATOM 0 HH11 ARG A 22 1.112 -20.781 1.062 1.00 14.12 H new ATOM 0 HH12 ARG A 22 1.464 -21.958 -0.208 1.00 14.12 H new ATOM 0 HH21 ARG A 22 2.619 -19.543 -2.503 1.00 1.33 H new ATOM 0 HH22 ARG A 22 2.314 -21.260 -2.218 1.00 1.33 H new ATOM 358 N PRO A 23 -2.892 -16.829 1.000 1.00 43.44 N ATOM 359 CA PRO A 23 -4.282 -17.248 1.201 1.00 1.15 C ATOM 360 C PRO A 23 -4.517 -17.824 2.592 1.00 31.54 C ATOM 361 O PRO A 23 -5.603 -17.688 3.156 1.00 22.34 O ATOM 362 CB PRO A 23 -4.485 -18.326 0.134 1.00 73.11 C ATOM 363 CG PRO A 23 -3.119 -18.860 -0.130 1.00 55.04 C ATOM 364 CD PRO A 23 -2.180 -17.700 0.050 1.00 23.32 C ATOM 0 HA PRO A 23 -4.976 -16.412 1.119 1.00 1.15 H new ATOM 0 HB2 PRO A 23 -5.155 -19.110 0.486 1.00 73.11 H new ATOM 0 HB3 PRO A 23 -4.929 -17.909 -0.770 1.00 73.11 H new ATOM 0 HG2 PRO A 23 -2.876 -19.669 0.559 1.00 55.04 H new ATOM 0 HG3 PRO A 23 -3.047 -19.267 -1.138 1.00 55.04 H new ATOM 0 HD2 PRO A 23 -1.216 -18.021 0.444 1.00 23.32 H new ATOM 0 HD3 PRO A 23 -1.985 -17.191 -0.894 1.00 23.32 H new ATOM 372 N GLY A 24 -3.493 -18.469 3.143 1.00 71.32 N ATOM 373 CA GLY A 24 -3.609 -19.056 4.464 1.00 32.52 C ATOM 374 C GLY A 24 -2.363 -18.851 5.303 1.00 65.04 C ATOM 375 O GLY A 24 -2.187 -19.497 6.335 1.00 43.23 O ATOM 0 H GLY A 24 -2.584 -18.595 2.697 1.00 71.32 H new ATOM 0 HA2 GLY A 24 -4.465 -18.619 4.978 1.00 32.52 H new ATOM 0 HA3 GLY A 24 -3.806 -20.124 4.367 1.00 32.52 H new ATOM 379 N GLY A 25 -1.494 -17.949 4.856 1.00 60.12 N ATOM 380 CA GLY A 25 -0.267 -17.678 5.583 1.00 24.21 C ATOM 381 C GLY A 25 -0.480 -16.729 6.746 1.00 60.40 C ATOM 382 O GLY A 25 -1.595 -16.591 7.248 1.00 35.10 O ATOM 0 H GLY A 25 -1.618 -17.402 4.004 1.00 60.12 H new ATOM 0 HA2 GLY A 25 0.146 -18.616 5.954 1.00 24.21 H new ATOM 0 HA3 GLY A 25 0.469 -17.253 4.901 1.00 24.21 H new ATOM 386 N LYS A 26 0.593 -16.076 7.178 1.00 41.21 N ATOM 387 CA LYS A 26 0.520 -15.135 8.290 1.00 52.04 C ATOM 388 C LYS A 26 1.420 -13.928 8.042 1.00 63.54 C ATOM 389 O LYS A 26 2.257 -13.584 8.877 1.00 13.12 O ATOM 390 CB LYS A 26 0.922 -15.825 9.595 1.00 31.03 C ATOM 391 CG LYS A 26 0.192 -17.134 9.840 1.00 34.43 C ATOM 392 CD LYS A 26 0.732 -17.853 11.067 1.00 50.54 C ATOM 393 CE LYS A 26 1.380 -19.177 10.695 1.00 24.11 C ATOM 394 NZ LYS A 26 1.145 -20.220 11.731 1.00 0.44 N ATOM 0 H LYS A 26 1.524 -16.181 6.775 1.00 41.21 H new ATOM 0 HA LYS A 26 -0.510 -14.787 8.372 1.00 52.04 H new ATOM 0 HB2 LYS A 26 1.995 -16.014 9.581 1.00 31.03 H new ATOM 0 HB3 LYS A 26 0.729 -15.149 10.428 1.00 31.03 H new ATOM 0 HG2 LYS A 26 -0.872 -16.939 9.970 1.00 34.43 H new ATOM 0 HG3 LYS A 26 0.294 -17.777 8.966 1.00 34.43 H new ATOM 0 HD2 LYS A 26 1.461 -17.218 11.571 1.00 50.54 H new ATOM 0 HD3 LYS A 26 -0.079 -18.029 11.773 1.00 50.54 H new ATOM 0 HE2 LYS A 26 0.984 -19.519 9.739 1.00 24.11 H new ATOM 0 HE3 LYS A 26 2.452 -19.032 10.562 1.00 24.11 H new ATOM 0 HZ1 LYS A 26 1.603 -21.107 11.440 1.00 0.44 H new ATOM 0 HZ2 LYS A 26 1.545 -19.905 12.638 1.00 0.44 H new ATOM 0 HZ3 LYS A 26 0.123 -20.377 11.840 1.00 0.44 H new ATOM 408 N LYS A 27 1.242 -13.290 6.890 1.00 5.12 N ATOM 409 CA LYS A 27 2.037 -12.120 6.533 1.00 34.32 C ATOM 410 C LYS A 27 1.188 -11.093 5.791 1.00 72.22 C ATOM 411 O LYS A 27 0.552 -11.409 4.784 1.00 1.34 O ATOM 412 CB LYS A 27 3.230 -12.533 5.668 1.00 15.25 C ATOM 413 CG LYS A 27 4.140 -13.550 6.334 1.00 63.32 C ATOM 414 CD LYS A 27 5.469 -13.670 5.606 1.00 71.01 C ATOM 415 CE LYS A 27 5.586 -14.999 4.876 1.00 52.41 C ATOM 416 NZ LYS A 27 7.004 -15.433 4.741 1.00 41.04 N ATOM 0 H LYS A 27 0.555 -13.563 6.188 1.00 5.12 H new ATOM 0 HA LYS A 27 2.404 -11.666 7.453 1.00 34.32 H new ATOM 0 HB2 LYS A 27 2.862 -12.947 4.729 1.00 15.25 H new ATOM 0 HB3 LYS A 27 3.812 -11.646 5.418 1.00 15.25 H new ATOM 0 HG2 LYS A 27 4.316 -13.259 7.369 1.00 63.32 H new ATOM 0 HG3 LYS A 27 3.647 -14.522 6.356 1.00 63.32 H new ATOM 0 HD2 LYS A 27 5.570 -12.852 4.893 1.00 71.01 H new ATOM 0 HD3 LYS A 27 6.287 -13.573 6.320 1.00 71.01 H new ATOM 0 HE2 LYS A 27 5.023 -15.761 5.415 1.00 52.41 H new ATOM 0 HE3 LYS A 27 5.137 -14.911 3.887 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 7.042 -16.343 4.238 1.00 41.04 H new ATOM 0 HZ2 LYS A 27 7.536 -14.718 4.205 1.00 41.04 H new ATOM 0 HZ3 LYS A 27 7.425 -15.542 5.686 1.00 41.04 H new ATOM 430 N LYS A 28 1.183 -9.863 6.292 1.00 12.44 N ATOM 431 CA LYS A 28 0.415 -8.788 5.675 1.00 30.03 C ATOM 432 C LYS A 28 1.340 -7.727 5.087 1.00 21.04 C ATOM 433 O LYS A 28 2.437 -7.496 5.595 1.00 44.13 O ATOM 434 CB LYS A 28 -0.524 -8.150 6.701 1.00 0.35 C ATOM 435 CG LYS A 28 -1.282 -9.161 7.545 1.00 50.44 C ATOM 436 CD LYS A 28 -2.757 -8.811 7.642 1.00 11.23 C ATOM 437 CE LYS A 28 -3.447 -9.608 8.739 1.00 63.43 C ATOM 438 NZ LYS A 28 -4.902 -9.300 8.817 1.00 51.32 N ATOM 0 H LYS A 28 1.703 -9.585 7.125 1.00 12.44 H new ATOM 0 HA LYS A 28 -0.178 -9.216 4.867 1.00 30.03 H new ATOM 0 HB2 LYS A 28 0.056 -7.503 7.359 1.00 0.35 H new ATOM 0 HB3 LYS A 28 -1.240 -7.515 6.180 1.00 0.35 H new ATOM 0 HG2 LYS A 28 -1.171 -10.155 7.111 1.00 50.44 H new ATOM 0 HG3 LYS A 28 -0.849 -9.199 8.545 1.00 50.44 H new ATOM 0 HD2 LYS A 28 -2.867 -7.745 7.841 1.00 11.23 H new ATOM 0 HD3 LYS A 28 -3.243 -9.009 6.686 1.00 11.23 H new ATOM 0 HE2 LYS A 28 -3.311 -10.674 8.554 1.00 63.43 H new ATOM 0 HE3 LYS A 28 -2.977 -9.388 9.698 1.00 63.43 H new ATOM 0 HZ1 LYS A 28 -5.336 -9.863 9.576 1.00 51.32 H new ATOM 0 HZ2 LYS A 28 -5.032 -8.288 9.019 1.00 51.32 H new ATOM 0 HZ3 LYS A 28 -5.355 -9.534 7.911 1.00 51.32 H new ATOM 452 N TYR A 29 0.889 -7.083 4.017 1.00 55.20 N ATOM 453 CA TYR A 29 1.676 -6.046 3.360 1.00 42.12 C ATOM 454 C TYR A 29 1.982 -4.902 4.322 1.00 23.43 C ATOM 455 O TYR A 29 1.106 -4.440 5.053 1.00 54.32 O ATOM 456 CB TYR A 29 0.933 -5.512 2.135 1.00 63.15 C ATOM 457 CG TYR A 29 1.108 -6.367 0.900 1.00 51.11 C ATOM 458 CD1 TYR A 29 2.341 -6.463 0.265 1.00 34.12 C ATOM 459 CD2 TYR A 29 0.040 -7.079 0.367 1.00 61.33 C ATOM 460 CE1 TYR A 29 2.505 -7.242 -0.863 1.00 61.00 C ATOM 461 CE2 TYR A 29 0.196 -7.863 -0.760 1.00 13.22 C ATOM 462 CZ TYR A 29 1.429 -7.941 -1.372 1.00 2.03 C ATOM 463 OH TYR A 29 1.588 -8.719 -2.495 1.00 72.13 O ATOM 0 H TYR A 29 -0.018 -7.261 3.586 1.00 55.20 H new ATOM 0 HA TYR A 29 2.619 -6.489 3.040 1.00 42.12 H new ATOM 0 HB2 TYR A 29 -0.129 -5.439 2.368 1.00 63.15 H new ATOM 0 HB3 TYR A 29 1.283 -4.502 1.920 1.00 63.15 H new ATOM 0 HD1 TYR A 29 3.185 -5.919 0.661 1.00 34.12 H new ATOM 0 HD2 TYR A 29 -0.928 -7.018 0.842 1.00 61.33 H new ATOM 0 HE1 TYR A 29 3.470 -7.304 -1.344 1.00 61.00 H new ATOM 0 HE2 TYR A 29 -0.644 -8.412 -1.160 1.00 13.22 H new ATOM 0 HH TYR A 29 1.045 -9.531 -2.410 1.00 72.13 H new ATOM 473 N ARG A 30 3.232 -4.451 4.315 1.00 24.14 N ATOM 474 CA ARG A 30 3.655 -3.362 5.188 1.00 51.44 C ATOM 475 C ARG A 30 4.765 -2.543 4.535 1.00 72.32 C ATOM 476 O ARG A 30 5.341 -2.951 3.525 1.00 52.33 O ATOM 477 CB ARG A 30 4.137 -3.913 6.531 1.00 61.24 C ATOM 478 CG ARG A 30 3.384 -3.350 7.725 1.00 4.14 C ATOM 479 CD ARG A 30 4.175 -3.522 9.014 1.00 63.14 C ATOM 480 NE ARG A 30 3.797 -2.538 10.023 1.00 54.10 N ATOM 481 CZ ARG A 30 4.227 -1.281 10.022 1.00 65.03 C ATOM 482 NH1 ARG A 30 5.046 -0.858 9.068 1.00 73.34 N ATOM 483 NH2 ARG A 30 3.839 -0.443 10.974 1.00 31.33 N ATOM 0 H ARG A 30 3.969 -4.822 3.715 1.00 24.14 H new ATOM 0 HA ARG A 30 2.797 -2.712 5.357 1.00 51.44 H new ATOM 0 HB2 ARG A 30 4.035 -4.998 6.527 1.00 61.24 H new ATOM 0 HB3 ARG A 30 5.198 -3.693 6.645 1.00 61.24 H new ATOM 0 HG2 ARG A 30 3.179 -2.292 7.561 1.00 4.14 H new ATOM 0 HG3 ARG A 30 2.421 -3.851 7.818 1.00 4.14 H new ATOM 0 HD2 ARG A 30 4.013 -4.525 9.408 1.00 63.14 H new ATOM 0 HD3 ARG A 30 5.240 -3.432 8.801 1.00 63.14 H new ATOM 0 HE ARG A 30 3.168 -2.831 10.770 1.00 54.10 H new ATOM 0 HH11 ARG A 30 5.347 -1.498 8.333 1.00 73.34 H new ATOM 0 HH12 ARG A 30 5.375 0.108 9.069 1.00 73.34 H new ATOM 0 HH21 ARG A 30 3.209 -0.763 11.709 1.00 31.33 H new ATOM 0 HH22 ARG A 30 4.171 0.522 10.971 1.00 31.33 H new ATOM 497 N LEU A 31 5.060 -1.385 5.117 1.00 74.22 N ATOM 498 CA LEU A 31 6.100 -0.508 4.592 1.00 12.10 C ATOM 499 C LEU A 31 7.339 -1.306 4.201 1.00 3.45 C ATOM 500 O LEU A 31 7.999 -1.003 3.207 1.00 52.11 O ATOM 501 CB LEU A 31 6.469 0.555 5.628 1.00 60.00 C ATOM 502 CG LEU A 31 5.799 1.918 5.459 1.00 54.34 C ATOM 503 CD1 LEU A 31 5.347 2.463 6.805 1.00 13.03 C ATOM 504 CD2 LEU A 31 6.743 2.897 4.775 1.00 25.33 C ATOM 0 H LEU A 31 4.593 -1.032 5.953 1.00 74.22 H new ATOM 0 HA LEU A 31 5.711 -0.017 3.700 1.00 12.10 H new ATOM 0 HB2 LEU A 31 6.221 0.171 6.617 1.00 60.00 H new ATOM 0 HB3 LEU A 31 7.549 0.698 5.603 1.00 60.00 H new ATOM 0 HG LEU A 31 4.919 1.791 4.828 1.00 54.34 H new ATOM 0 HD11 LEU A 31 4.872 3.434 6.664 1.00 13.03 H new ATOM 0 HD12 LEU A 31 4.634 1.773 7.256 1.00 13.03 H new ATOM 0 HD13 LEU A 31 6.210 2.573 7.461 1.00 13.03 H new ATOM 0 HD21 LEU A 31 6.248 3.862 4.663 1.00 25.33 H new ATOM 0 HD22 LEU A 31 7.642 3.018 5.379 1.00 25.33 H new ATOM 0 HD23 LEU A 31 7.015 2.513 3.792 1.00 25.33 H new ATOM 516 N LYS A 32 7.651 -2.329 4.990 1.00 22.21 N ATOM 517 CA LYS A 32 8.809 -3.175 4.727 1.00 41.33 C ATOM 518 C LYS A 32 8.798 -3.680 3.288 1.00 72.04 C ATOM 519 O LYS A 32 9.819 -3.649 2.600 1.00 15.30 O ATOM 520 CB LYS A 32 8.832 -4.359 5.694 1.00 20.55 C ATOM 521 CG LYS A 32 9.264 -3.987 7.102 1.00 4.24 C ATOM 522 CD LYS A 32 10.366 -4.903 7.608 1.00 23.23 C ATOM 523 CE LYS A 32 10.631 -4.691 9.091 1.00 74.24 C ATOM 524 NZ LYS A 32 11.867 -3.895 9.326 1.00 31.04 N ATOM 0 H LYS A 32 7.117 -2.592 5.818 1.00 22.21 H new ATOM 0 HA LYS A 32 9.707 -2.575 4.876 1.00 41.33 H new ATOM 0 HB2 LYS A 32 7.838 -4.804 5.734 1.00 20.55 H new ATOM 0 HB3 LYS A 32 9.507 -5.121 5.305 1.00 20.55 H new ATOM 0 HG2 LYS A 32 9.613 -2.955 7.116 1.00 4.24 H new ATOM 0 HG3 LYS A 32 8.407 -4.042 7.773 1.00 4.24 H new ATOM 0 HD2 LYS A 32 10.086 -5.942 7.432 1.00 23.23 H new ATOM 0 HD3 LYS A 32 11.281 -4.719 7.044 1.00 23.23 H new ATOM 0 HE2 LYS A 32 9.780 -4.182 9.543 1.00 74.24 H new ATOM 0 HE3 LYS A 32 10.723 -5.658 9.585 1.00 74.24 H new ATOM 0 HZ1 LYS A 32 12.012 -3.773 10.349 1.00 31.04 H new ATOM 0 HZ2 LYS A 32 12.684 -4.393 8.917 1.00 31.04 H new ATOM 0 HZ3 LYS A 32 11.770 -2.962 8.876 1.00 31.04 H new ATOM 538 N HIS A 33 7.636 -4.144 2.838 1.00 41.45 N ATOM 539 CA HIS A 33 7.492 -4.654 1.478 1.00 51.04 C ATOM 540 C HIS A 33 7.574 -3.520 0.461 1.00 45.33 C ATOM 541 O HIS A 33 8.248 -3.715 -0.551 1.00 73.43 O ATOM 542 CB HIS A 33 6.162 -5.393 1.327 1.00 73.22 C ATOM 543 CG HIS A 33 5.990 -6.521 2.298 1.00 73.22 C ATOM 544 ND1 HIS A 33 5.092 -6.483 3.345 1.00 45.51 N ATOM 545 CD2 HIS A 33 6.606 -7.724 2.378 1.00 53.13 C ATOM 546 CE1 HIS A 33 5.165 -7.613 4.025 1.00 52.13 C ATOM 547 NE2 HIS A 33 6.076 -8.383 3.458 1.00 24.22 N ATOM 0 H HIS A 33 6.782 -4.177 3.394 1.00 41.45 H new ATOM 0 HA HIS A 33 8.310 -5.349 1.288 1.00 51.04 H new ATOM 0 HB2 HIS A 33 5.345 -4.684 1.458 1.00 73.22 H new ATOM 0 HB3 HIS A 33 6.086 -5.783 0.312 1.00 73.22 H new ATOM 0 HD2 HIS A 33 7.373 -8.096 1.714 1.00 53.13 H new ATOM 0 HE1 HIS A 33 4.579 -7.865 4.897 1.00 52.13 H new ATOM 0 HE2 HIS A 33 6.342 -9.316 3.772 1.00 24.22 H new ATOM 555 N ILE A 34 6.931 -2.380 0.693 1.00 21.42 N ATOM 556 CA ILE A 34 6.981 -1.269 -0.249 1.00 23.22 C ATOM 557 C ILE A 34 8.415 -0.790 -0.457 1.00 75.43 C ATOM 558 O ILE A 34 8.834 -0.525 -1.584 1.00 5.43 O ATOM 559 CB ILE A 34 6.121 -0.085 0.230 1.00 23.13 C ATOM 560 CG1 ILE A 34 4.713 -0.563 0.592 1.00 64.00 C ATOM 561 CG2 ILE A 34 6.061 0.994 -0.841 1.00 2.13 C ATOM 562 CD1 ILE A 34 3.783 0.555 1.008 1.00 41.12 C ATOM 0 H ILE A 34 6.369 -2.202 1.526 1.00 21.42 H new ATOM 0 HA ILE A 34 6.582 -1.638 -1.194 1.00 23.22 H new ATOM 0 HB ILE A 34 6.580 0.341 1.122 1.00 23.13 H new ATOM 0 HG12 ILE A 34 4.283 -1.082 -0.264 1.00 64.00 H new ATOM 0 HG13 ILE A 34 4.782 -1.288 1.403 1.00 64.00 H new ATOM 0 HG21 ILE A 34 5.449 1.824 -0.487 1.00 2.13 H new ATOM 0 HG22 ILE A 34 7.068 1.351 -1.055 1.00 2.13 H new ATOM 0 HG23 ILE A 34 5.622 0.581 -1.749 1.00 2.13 H new ATOM 0 HD11 ILE A 34 2.804 0.142 1.250 1.00 41.12 H new ATOM 0 HD12 ILE A 34 4.190 1.060 1.884 1.00 41.12 H new ATOM 0 HD13 ILE A 34 3.684 1.269 0.190 1.00 41.12 H new ATOM 574 N VAL A 35 9.161 -0.684 0.637 1.00 43.40 N ATOM 575 CA VAL A 35 10.549 -0.240 0.575 1.00 12.41 C ATOM 576 C VAL A 35 11.412 -1.239 -0.188 1.00 12.00 C ATOM 577 O VAL A 35 12.246 -0.854 -1.009 1.00 35.41 O ATOM 578 CB VAL A 35 11.139 -0.039 1.984 1.00 71.45 C ATOM 579 CG1 VAL A 35 12.616 0.311 1.899 1.00 10.24 C ATOM 580 CG2 VAL A 35 10.368 1.036 2.735 1.00 44.04 C ATOM 0 H VAL A 35 8.828 -0.899 1.577 1.00 43.40 H new ATOM 0 HA VAL A 35 10.552 0.715 0.049 1.00 12.41 H new ATOM 0 HB VAL A 35 11.044 -0.974 2.537 1.00 71.45 H new ATOM 0 HG11 VAL A 35 13.016 0.449 2.904 1.00 10.24 H new ATOM 0 HG12 VAL A 35 13.153 -0.497 1.403 1.00 10.24 H new ATOM 0 HG13 VAL A 35 12.739 1.232 1.329 1.00 10.24 H new ATOM 0 HG21 VAL A 35 10.798 1.165 3.728 1.00 44.04 H new ATOM 0 HG22 VAL A 35 10.429 1.977 2.188 1.00 44.04 H new ATOM 0 HG23 VAL A 35 9.324 0.737 2.828 1.00 44.04 H new ATOM 590 N TRP A 36 11.207 -2.522 0.089 1.00 54.44 N ATOM 591 CA TRP A 36 11.966 -3.576 -0.573 1.00 22.25 C ATOM 592 C TRP A 36 11.678 -3.599 -2.069 1.00 43.35 C ATOM 593 O TRP A 36 12.482 -4.093 -2.858 1.00 42.53 O ATOM 594 CB TRP A 36 11.632 -4.936 0.044 1.00 34.23 C ATOM 595 CG TRP A 36 12.301 -6.084 -0.650 1.00 4.33 C ATOM 596 CD1 TRP A 36 13.451 -6.715 -0.267 1.00 54.53 C ATOM 597 CD2 TRP A 36 11.864 -6.734 -1.847 1.00 52.34 C ATOM 598 NE1 TRP A 36 13.754 -7.719 -1.156 1.00 31.35 N ATOM 599 CE2 TRP A 36 12.795 -7.751 -2.133 1.00 65.34 C ATOM 600 CE3 TRP A 36 10.775 -6.557 -2.706 1.00 72.21 C ATOM 601 CZ2 TRP A 36 12.669 -8.586 -3.241 1.00 0.13 C ATOM 602 CZ3 TRP A 36 10.652 -7.387 -3.804 1.00 53.12 C ATOM 603 CH2 TRP A 36 11.593 -8.391 -4.063 1.00 44.23 C ATOM 0 H TRP A 36 10.522 -2.857 0.767 1.00 54.44 H new ATOM 0 HA TRP A 36 13.027 -3.369 -0.431 1.00 22.25 H new ATOM 0 HB2 TRP A 36 11.927 -4.933 1.093 1.00 34.23 H new ATOM 0 HB3 TRP A 36 10.552 -5.084 0.017 1.00 34.23 H new ATOM 0 HD1 TRP A 36 14.036 -6.462 0.605 1.00 54.53 H new ATOM 0 HE1 TRP A 36 14.562 -8.339 -1.097 1.00 31.35 H new ATOM 0 HE3 TRP A 36 10.043 -5.786 -2.515 1.00 72.21 H new ATOM 0 HZ2 TRP A 36 13.395 -9.360 -3.444 1.00 0.13 H new ATOM 0 HZ3 TRP A 36 9.815 -7.259 -4.474 1.00 53.12 H new ATOM 0 HH2 TRP A 36 11.467 -9.024 -4.929 1.00 44.23 H new ATOM 614 N ALA A 37 10.525 -3.060 -2.454 1.00 61.23 N ATOM 615 CA ALA A 37 10.133 -3.017 -3.857 1.00 2.42 C ATOM 616 C ALA A 37 10.741 -1.807 -4.560 1.00 74.11 C ATOM 617 O ALA A 37 11.309 -1.929 -5.645 1.00 42.21 O ATOM 618 CB ALA A 37 8.617 -2.994 -3.981 1.00 40.22 C ATOM 0 H ALA A 37 9.847 -2.647 -1.814 1.00 61.23 H new ATOM 0 HA ALA A 37 10.513 -3.916 -4.342 1.00 2.42 H new ATOM 0 HB1 ALA A 37 8.339 -2.962 -5.034 1.00 40.22 H new ATOM 0 HB2 ALA A 37 8.201 -3.891 -3.523 1.00 40.22 H new ATOM 0 HB3 ALA A 37 8.224 -2.112 -3.475 1.00 40.22 H new ATOM 624 N ALA A 38 10.617 -0.641 -3.935 1.00 33.41 N ATOM 625 CA ALA A 38 11.156 0.589 -4.500 1.00 51.44 C ATOM 626 C ALA A 38 12.656 0.470 -4.746 1.00 15.13 C ATOM 627 O ALA A 38 13.163 0.913 -5.775 1.00 41.30 O ATOM 628 CB ALA A 38 10.862 1.766 -3.580 1.00 72.33 C ATOM 0 H ALA A 38 10.148 -0.523 -3.037 1.00 33.41 H new ATOM 0 HA ALA A 38 10.670 0.761 -5.460 1.00 51.44 H new ATOM 0 HB1 ALA A 38 11.270 2.678 -4.015 1.00 72.33 H new ATOM 0 HB2 ALA A 38 9.784 1.873 -3.459 1.00 72.33 H new ATOM 0 HB3 ALA A 38 11.321 1.591 -2.607 1.00 72.33 H new ATOM 634 N ASN A 39 13.361 -0.131 -3.793 1.00 43.50 N ATOM 635 CA ASN A 39 14.804 -0.307 -3.906 1.00 4.31 C ATOM 636 C ASN A 39 15.171 -0.959 -5.235 1.00 72.31 C ATOM 637 O ASN A 39 16.209 -0.658 -5.823 1.00 1.40 O ATOM 638 CB ASN A 39 15.328 -1.157 -2.746 1.00 74.42 C ATOM 639 CG ASN A 39 16.220 -0.369 -1.808 1.00 43.42 C ATOM 640 OD1 ASN A 39 15.820 -0.024 -0.696 1.00 43.52 O ATOM 641 ND2 ASN A 39 17.438 -0.080 -2.254 1.00 33.03 N ATOM 0 H ASN A 39 12.956 -0.504 -2.934 1.00 43.50 H new ATOM 0 HA ASN A 39 15.269 0.678 -3.865 1.00 4.31 H new ATOM 0 HB2 ASN A 39 14.485 -1.562 -2.186 1.00 74.42 H new ATOM 0 HB3 ASN A 39 15.884 -2.006 -3.144 1.00 74.42 H new ATOM 0 HD21 ASN A 39 18.084 0.448 -1.667 1.00 33.03 H new ATOM 0 HD22 ASN A 39 17.727 -0.386 -3.183 1.00 33.03 H new ATOM 648 N LYS A 40 14.309 -1.855 -5.705 1.00 60.03 N ATOM 649 CA LYS A 40 14.539 -2.550 -6.966 1.00 52.03 C ATOM 650 C LYS A 40 14.316 -1.615 -8.151 1.00 41.41 C ATOM 651 O LYS A 40 15.159 -1.515 -9.044 1.00 35.53 O ATOM 652 CB LYS A 40 13.613 -3.763 -7.080 1.00 25.43 C ATOM 653 CG LYS A 40 13.942 -4.872 -6.096 1.00 24.54 C ATOM 654 CD LYS A 40 15.200 -5.624 -6.501 1.00 53.02 C ATOM 655 CE LYS A 40 15.995 -6.077 -5.286 1.00 74.34 C ATOM 656 NZ LYS A 40 16.207 -7.551 -5.281 1.00 2.42 N ATOM 0 H LYS A 40 13.445 -2.117 -5.231 1.00 60.03 H new ATOM 0 HA LYS A 40 15.575 -2.888 -6.982 1.00 52.03 H new ATOM 0 HB2 LYS A 40 12.584 -3.441 -6.921 1.00 25.43 H new ATOM 0 HB3 LYS A 40 13.670 -4.159 -8.094 1.00 25.43 H new ATOM 0 HG2 LYS A 40 14.075 -4.448 -5.101 1.00 24.54 H new ATOM 0 HG3 LYS A 40 13.105 -5.567 -6.037 1.00 24.54 H new ATOM 0 HD2 LYS A 40 14.929 -6.491 -7.103 1.00 53.02 H new ATOM 0 HD3 LYS A 40 15.822 -4.984 -7.126 1.00 53.02 H new ATOM 0 HE2 LYS A 40 16.960 -5.571 -5.274 1.00 74.34 H new ATOM 0 HE3 LYS A 40 15.470 -5.782 -4.378 1.00 74.34 H new ATOM 0 HZ1 LYS A 40 16.753 -7.820 -4.438 1.00 2.42 H new ATOM 0 HZ2 LYS A 40 15.286 -8.034 -5.267 1.00 2.42 H new ATOM 0 HZ3 LYS A 40 16.731 -7.829 -6.135 1.00 2.42 H new ATOM 670 N LEU A 41 13.177 -0.931 -8.153 1.00 10.13 N ATOM 671 CA LEU A 41 12.844 -0.002 -9.227 1.00 72.42 C ATOM 672 C LEU A 41 13.958 1.019 -9.429 1.00 42.14 C ATOM 673 O LEU A 41 14.364 1.294 -10.559 1.00 14.45 O ATOM 674 CB LEU A 41 11.529 0.715 -8.919 1.00 21.13 C ATOM 675 CG LEU A 41 10.292 -0.175 -8.789 1.00 44.34 C ATOM 676 CD1 LEU A 41 9.250 0.483 -7.900 1.00 11.34 C ATOM 677 CD2 LEU A 41 9.709 -0.479 -10.162 1.00 61.03 C ATOM 0 H LEU A 41 12.469 -1.002 -7.423 1.00 10.13 H new ATOM 0 HA LEU A 41 12.731 -0.575 -10.147 1.00 72.42 H new ATOM 0 HB2 LEU A 41 11.651 1.271 -7.989 1.00 21.13 H new ATOM 0 HB3 LEU A 41 11.344 1.446 -9.706 1.00 21.13 H new ATOM 0 HG LEU A 41 10.592 -1.115 -8.326 1.00 44.34 H new ATOM 0 HD11 LEU A 41 8.378 -0.166 -7.820 1.00 11.34 H new ATOM 0 HD12 LEU A 41 9.671 0.649 -6.908 1.00 11.34 H new ATOM 0 HD13 LEU A 41 8.953 1.438 -8.333 1.00 11.34 H new ATOM 0 HD21 LEU A 41 8.829 -1.113 -10.052 1.00 61.03 H new ATOM 0 HD22 LEU A 41 9.425 0.453 -10.651 1.00 61.03 H new ATOM 0 HD23 LEU A 41 10.454 -0.995 -10.768 1.00 61.03 H new ATOM 689 N ASP A 42 14.450 1.575 -8.328 1.00 44.12 N ATOM 690 CA ASP A 42 15.522 2.563 -8.384 1.00 11.00 C ATOM 691 C ASP A 42 16.705 2.039 -9.191 1.00 21.42 C ATOM 692 O ASP A 42 17.156 2.681 -10.140 1.00 2.05 O ATOM 693 CB ASP A 42 15.976 2.934 -6.972 1.00 44.41 C ATOM 694 CG ASP A 42 16.317 4.406 -6.841 1.00 0.02 C ATOM 695 OD1 ASP A 42 15.657 5.230 -7.509 1.00 1.22 O ATOM 696 OD2 ASP A 42 17.243 4.733 -6.071 1.00 4.34 O ATOM 0 H ASP A 42 14.124 1.359 -7.386 1.00 44.12 H new ATOM 0 HA ASP A 42 15.135 3.454 -8.879 1.00 11.00 H new ATOM 0 HB2 ASP A 42 15.188 2.682 -6.262 1.00 44.41 H new ATOM 0 HB3 ASP A 42 16.848 2.337 -6.705 1.00 44.41 H new ATOM 701 N ARG A 43 17.202 0.867 -8.807 1.00 5.20 N ATOM 702 CA ARG A 43 18.335 0.257 -9.494 1.00 13.53 C ATOM 703 C ARG A 43 17.934 -0.221 -10.886 1.00 54.22 C ATOM 704 O ARG A 43 18.787 -0.534 -11.717 1.00 14.24 O ATOM 705 CB ARG A 43 18.881 -0.916 -8.678 1.00 1.02 C ATOM 706 CG ARG A 43 20.342 -1.228 -8.961 1.00 10.33 C ATOM 707 CD ARG A 43 21.018 -1.866 -7.758 1.00 50.55 C ATOM 708 NE ARG A 43 22.393 -2.263 -8.050 1.00 31.31 N ATOM 709 CZ ARG A 43 23.216 -2.782 -7.146 1.00 43.21 C ATOM 710 NH1 ARG A 43 22.805 -2.967 -5.899 1.00 12.41 N ATOM 711 NH2 ARG A 43 24.453 -3.118 -7.488 1.00 64.54 N ATOM 0 H ARG A 43 16.839 0.322 -8.025 1.00 5.20 H new ATOM 0 HA ARG A 43 19.114 1.012 -9.599 1.00 13.53 H new ATOM 0 HB2 ARG A 43 18.765 -0.695 -7.617 1.00 1.02 H new ATOM 0 HB3 ARG A 43 18.282 -1.803 -8.886 1.00 1.02 H new ATOM 0 HG2 ARG A 43 20.413 -1.898 -9.818 1.00 10.33 H new ATOM 0 HG3 ARG A 43 20.866 -0.311 -9.230 1.00 10.33 H new ATOM 0 HD2 ARG A 43 21.013 -1.164 -6.924 1.00 50.55 H new ATOM 0 HD3 ARG A 43 20.448 -2.740 -7.443 1.00 50.55 H new ATOM 0 HE ARG A 43 22.740 -2.135 -9.000 1.00 31.31 H new ATOM 0 HH11 ARG A 43 21.855 -2.711 -5.632 1.00 12.41 H new ATOM 0 HH12 ARG A 43 23.439 -3.366 -5.207 1.00 12.41 H new ATOM 0 HH21 ARG A 43 24.773 -2.978 -8.446 1.00 64.54 H new ATOM 0 HH22 ARG A 43 25.084 -3.516 -6.793 1.00 64.54 H new ATOM 725 N PHE A 44 16.629 -0.275 -11.134 1.00 5.22 N ATOM 726 CA PHE A 44 16.114 -0.715 -12.425 1.00 45.02 C ATOM 727 C PHE A 44 15.826 0.478 -13.332 1.00 61.12 C ATOM 728 O PHE A 44 15.048 0.377 -14.280 1.00 52.43 O ATOM 729 CB PHE A 44 14.842 -1.545 -12.234 1.00 41.42 C ATOM 730 CG PHE A 44 15.107 -3.011 -12.044 1.00 75.25 C ATOM 731 CD1 PHE A 44 15.855 -3.719 -12.970 1.00 34.40 C ATOM 732 CD2 PHE A 44 14.605 -3.681 -10.940 1.00 23.13 C ATOM 733 CE1 PHE A 44 16.098 -5.069 -12.798 1.00 3.23 C ATOM 734 CE2 PHE A 44 14.845 -5.030 -10.761 1.00 4.31 C ATOM 735 CZ PHE A 44 15.594 -5.725 -11.691 1.00 31.12 C ATOM 0 H PHE A 44 15.909 -0.019 -10.458 1.00 5.22 H new ATOM 0 HA PHE A 44 16.875 -1.334 -12.900 1.00 45.02 H new ATOM 0 HB2 PHE A 44 14.297 -1.167 -11.369 1.00 41.42 H new ATOM 0 HB3 PHE A 44 14.196 -1.410 -13.101 1.00 41.42 H new ATOM 0 HD1 PHE A 44 16.253 -3.211 -13.836 1.00 34.40 H new ATOM 0 HD2 PHE A 44 14.019 -3.142 -10.210 1.00 23.13 H new ATOM 0 HE1 PHE A 44 16.681 -5.611 -13.528 1.00 3.23 H new ATOM 0 HE2 PHE A 44 14.448 -5.540 -9.896 1.00 4.31 H new ATOM 0 HZ PHE A 44 15.785 -6.779 -11.553 1.00 31.12 H new ATOM 745 N GLY A 45 16.459 1.608 -13.033 1.00 20.42 N ATOM 746 CA GLY A 45 16.257 2.804 -13.829 1.00 53.20 C ATOM 747 C GLY A 45 14.823 3.292 -13.789 1.00 30.44 C ATOM 748 O GLY A 45 14.412 4.104 -14.618 1.00 53.15 O ATOM 0 H GLY A 45 17.108 1.716 -12.254 1.00 20.42 H new ATOM 0 HA2 GLY A 45 16.916 3.593 -13.467 1.00 53.20 H new ATOM 0 HA3 GLY A 45 16.540 2.601 -14.862 1.00 53.20 H new ATOM 752 N LEU A 46 14.057 2.796 -12.823 1.00 63.53 N ATOM 753 CA LEU A 46 12.658 3.185 -12.680 1.00 64.52 C ATOM 754 C LEU A 46 12.469 4.099 -11.474 1.00 24.03 C ATOM 755 O LEU A 46 13.255 4.065 -10.527 1.00 12.13 O ATOM 756 CB LEU A 46 11.775 1.943 -12.537 1.00 42.33 C ATOM 757 CG LEU A 46 11.525 1.146 -13.817 1.00 53.44 C ATOM 758 CD1 LEU A 46 11.046 -0.258 -13.488 1.00 11.02 C ATOM 759 CD2 LEU A 46 10.515 1.863 -14.702 1.00 41.13 C ATOM 0 H LEU A 46 14.381 2.124 -12.127 1.00 63.53 H new ATOM 0 HA LEU A 46 12.364 3.731 -13.576 1.00 64.52 H new ATOM 0 HB2 LEU A 46 12.232 1.279 -11.803 1.00 42.33 H new ATOM 0 HB3 LEU A 46 10.812 2.252 -12.131 1.00 42.33 H new ATOM 0 HG LEU A 46 12.465 1.067 -14.362 1.00 53.44 H new ATOM 0 HD11 LEU A 46 10.874 -0.810 -14.412 1.00 11.02 H new ATOM 0 HD12 LEU A 46 11.803 -0.771 -12.895 1.00 11.02 H new ATOM 0 HD13 LEU A 46 10.117 -0.202 -12.920 1.00 11.02 H new ATOM 0 HD21 LEU A 46 10.349 1.282 -15.609 1.00 41.13 H new ATOM 0 HD22 LEU A 46 9.573 1.973 -14.164 1.00 41.13 H new ATOM 0 HD23 LEU A 46 10.899 2.848 -14.968 1.00 41.13 H new ATOM 771 N ALA A 47 11.420 4.914 -11.514 1.00 63.41 N ATOM 772 CA ALA A 47 11.125 5.834 -10.424 1.00 14.12 C ATOM 773 C ALA A 47 10.268 5.163 -9.356 1.00 34.43 C ATOM 774 O ALA A 47 9.632 4.140 -9.610 1.00 11.30 O ATOM 775 CB ALA A 47 10.429 7.078 -10.956 1.00 0.23 C ATOM 0 H ALA A 47 10.760 4.955 -12.291 1.00 63.41 H new ATOM 0 HA ALA A 47 12.069 6.128 -9.965 1.00 14.12 H new ATOM 0 HB1 ALA A 47 10.215 7.756 -10.130 1.00 0.23 H new ATOM 0 HB2 ALA A 47 11.077 7.577 -11.677 1.00 0.23 H new ATOM 0 HB3 ALA A 47 9.496 6.793 -11.443 1.00 0.23 H new ATOM 781 N GLU A 48 10.255 5.745 -8.160 1.00 51.33 N ATOM 782 CA GLU A 48 9.476 5.201 -7.055 1.00 24.54 C ATOM 783 C GLU A 48 8.081 5.817 -7.017 1.00 71.12 C ATOM 784 O GLU A 48 7.141 5.222 -6.489 1.00 24.22 O ATOM 785 CB GLU A 48 10.192 5.451 -5.726 1.00 44.10 C ATOM 786 CG GLU A 48 10.316 6.923 -5.369 1.00 34.44 C ATOM 787 CD GLU A 48 11.706 7.293 -4.890 1.00 65.12 C ATOM 788 OE1 GLU A 48 12.142 6.750 -3.853 1.00 33.23 O ATOM 789 OE2 GLU A 48 12.359 8.125 -5.553 1.00 65.32 O ATOM 0 H GLU A 48 10.775 6.593 -7.933 1.00 51.33 H new ATOM 0 HA GLU A 48 9.376 4.127 -7.209 1.00 24.54 H new ATOM 0 HB2 GLU A 48 9.653 4.937 -4.930 1.00 44.10 H new ATOM 0 HB3 GLU A 48 11.188 5.012 -5.771 1.00 44.10 H new ATOM 0 HG2 GLU A 48 10.064 7.527 -6.241 1.00 34.44 H new ATOM 0 HG3 GLU A 48 9.591 7.167 -4.592 1.00 34.44 H new ATOM 796 N SER A 49 7.954 7.014 -7.580 1.00 1.44 N ATOM 797 CA SER A 49 6.674 7.715 -7.607 1.00 65.51 C ATOM 798 C SER A 49 5.659 6.957 -8.457 1.00 44.53 C ATOM 799 O SER A 49 4.461 7.238 -8.410 1.00 62.50 O ATOM 800 CB SER A 49 6.857 9.133 -8.151 1.00 31.42 C ATOM 801 OG SER A 49 7.706 9.138 -9.286 1.00 53.33 O ATOM 0 H SER A 49 8.721 7.519 -8.024 1.00 1.44 H new ATOM 0 HA SER A 49 6.296 7.772 -6.586 1.00 65.51 H new ATOM 0 HB2 SER A 49 5.887 9.552 -8.417 1.00 31.42 H new ATOM 0 HB3 SER A 49 7.278 9.772 -7.375 1.00 31.42 H new ATOM 0 HG SER A 49 7.806 10.055 -9.616 1.00 53.33 H new ATOM 807 N LEU A 50 6.147 5.997 -9.235 1.00 45.34 N ATOM 808 CA LEU A 50 5.284 5.199 -10.098 1.00 35.21 C ATOM 809 C LEU A 50 4.520 4.155 -9.287 1.00 42.15 C ATOM 810 O LEU A 50 3.599 3.513 -9.794 1.00 2.41 O ATOM 811 CB LEU A 50 6.111 4.511 -11.185 1.00 14.12 C ATOM 812 CG LEU A 50 6.963 5.429 -12.062 1.00 12.13 C ATOM 813 CD1 LEU A 50 7.998 4.624 -12.831 1.00 14.01 C ATOM 814 CD2 LEU A 50 6.083 6.221 -13.018 1.00 14.12 C ATOM 0 H LEU A 50 7.136 5.753 -9.286 1.00 45.34 H new ATOM 0 HA LEU A 50 4.563 5.868 -10.568 1.00 35.21 H new ATOM 0 HB2 LEU A 50 6.769 3.784 -10.708 1.00 14.12 H new ATOM 0 HB3 LEU A 50 5.433 3.952 -11.830 1.00 14.12 H new ATOM 0 HG LEU A 50 7.488 6.132 -11.415 1.00 12.13 H new ATOM 0 HD11 LEU A 50 8.595 5.295 -13.449 1.00 14.01 H new ATOM 0 HD12 LEU A 50 8.649 4.103 -12.129 1.00 14.01 H new ATOM 0 HD13 LEU A 50 7.494 3.896 -13.467 1.00 14.01 H new ATOM 0 HD21 LEU A 50 6.706 6.869 -13.634 1.00 14.12 H new ATOM 0 HD22 LEU A 50 5.530 5.533 -13.658 1.00 14.12 H new ATOM 0 HD23 LEU A 50 5.381 6.829 -12.447 1.00 14.12 H new ATOM 826 N LEU A 51 4.907 3.993 -8.028 1.00 14.44 N ATOM 827 CA LEU A 51 4.258 3.029 -7.146 1.00 13.43 C ATOM 828 C LEU A 51 2.998 3.624 -6.524 1.00 32.21 C ATOM 829 O LEU A 51 2.230 2.922 -5.866 1.00 33.05 O ATOM 830 CB LEU A 51 5.223 2.584 -6.046 1.00 20.44 C ATOM 831 CG LEU A 51 5.987 1.287 -6.308 1.00 45.23 C ATOM 832 CD1 LEU A 51 7.046 1.064 -5.239 1.00 14.32 C ATOM 833 CD2 LEU A 51 5.030 0.106 -6.367 1.00 61.35 C ATOM 0 H LEU A 51 5.667 4.516 -7.594 1.00 14.44 H new ATOM 0 HA LEU A 51 3.973 2.162 -7.742 1.00 13.43 H new ATOM 0 HB2 LEU A 51 5.947 3.382 -5.881 1.00 20.44 H new ATOM 0 HB3 LEU A 51 4.659 2.469 -5.120 1.00 20.44 H new ATOM 0 HG LEU A 51 6.487 1.373 -7.273 1.00 45.23 H new ATOM 0 HD11 LEU A 51 7.579 0.135 -5.443 1.00 14.32 H new ATOM 0 HD12 LEU A 51 7.750 1.896 -5.245 1.00 14.32 H new ATOM 0 HD13 LEU A 51 6.568 1.001 -4.261 1.00 14.32 H new ATOM 0 HD21 LEU A 51 5.592 -0.809 -6.554 1.00 61.35 H new ATOM 0 HD22 LEU A 51 4.501 0.019 -5.418 1.00 61.35 H new ATOM 0 HD23 LEU A 51 4.310 0.261 -7.171 1.00 61.35 H new ATOM 845 N GLU A 52 2.793 4.919 -6.738 1.00 12.31 N ATOM 846 CA GLU A 52 1.625 5.607 -6.199 1.00 74.32 C ATOM 847 C GLU A 52 0.732 6.125 -7.323 1.00 31.32 C ATOM 848 O GLU A 52 0.046 7.135 -7.168 1.00 72.54 O ATOM 849 CB GLU A 52 2.058 6.767 -5.300 1.00 61.52 C ATOM 850 CG GLU A 52 2.994 7.749 -5.984 1.00 34.04 C ATOM 851 CD GLU A 52 3.199 9.017 -5.177 1.00 34.13 C ATOM 852 OE1 GLU A 52 3.173 8.936 -3.930 1.00 53.41 O ATOM 853 OE2 GLU A 52 3.385 10.088 -5.791 1.00 41.10 O ATOM 0 H GLU A 52 3.420 5.513 -7.280 1.00 12.31 H new ATOM 0 HA GLU A 52 1.055 4.891 -5.606 1.00 74.32 H new ATOM 0 HB2 GLU A 52 1.172 7.301 -4.958 1.00 61.52 H new ATOM 0 HB3 GLU A 52 2.550 6.365 -4.414 1.00 61.52 H new ATOM 0 HG2 GLU A 52 3.958 7.270 -6.152 1.00 34.04 H new ATOM 0 HG3 GLU A 52 2.591 8.007 -6.964 1.00 34.04 H new ATOM 860 N SER A 53 0.747 5.427 -8.453 1.00 23.22 N ATOM 861 CA SER A 53 -0.056 5.818 -9.605 1.00 32.44 C ATOM 862 C SER A 53 -0.488 4.594 -10.407 1.00 15.03 C ATOM 863 O SER A 53 0.315 3.705 -10.688 1.00 40.01 O ATOM 864 CB SER A 53 0.730 6.778 -10.500 1.00 63.33 C ATOM 865 OG SER A 53 1.192 6.121 -11.669 1.00 10.23 O ATOM 0 H SER A 53 1.307 4.587 -8.596 1.00 23.22 H new ATOM 0 HA SER A 53 -0.949 6.324 -9.239 1.00 32.44 H new ATOM 0 HB2 SER A 53 0.098 7.621 -10.778 1.00 63.33 H new ATOM 0 HB3 SER A 53 1.578 7.184 -9.948 1.00 63.33 H new ATOM 0 HG SER A 53 1.262 6.768 -12.402 1.00 10.23 H new ATOM 871 N LYS A 54 -1.766 4.556 -10.773 1.00 44.31 N ATOM 872 CA LYS A 54 -2.307 3.444 -11.544 1.00 72.44 C ATOM 873 C LYS A 54 -1.659 3.369 -12.923 1.00 45.43 C ATOM 874 O LYS A 54 -1.057 2.358 -13.283 1.00 35.24 O ATOM 875 CB LYS A 54 -3.823 3.587 -11.689 1.00 35.10 C ATOM 876 CG LYS A 54 -4.460 2.499 -12.537 1.00 41.12 C ATOM 877 CD LYS A 54 -5.934 2.329 -12.212 1.00 23.13 C ATOM 878 CE LYS A 54 -6.803 2.528 -13.444 1.00 12.14 C ATOM 879 NZ LYS A 54 -6.377 1.654 -14.572 1.00 12.22 N ATOM 0 H LYS A 54 -2.445 5.283 -10.548 1.00 44.31 H new ATOM 0 HA LYS A 54 -2.084 2.522 -11.007 1.00 72.44 H new ATOM 0 HB2 LYS A 54 -4.277 3.576 -10.698 1.00 35.10 H new ATOM 0 HB3 LYS A 54 -4.047 4.558 -12.131 1.00 35.10 H new ATOM 0 HG2 LYS A 54 -4.345 2.746 -13.593 1.00 41.12 H new ATOM 0 HG3 LYS A 54 -3.939 1.556 -12.372 1.00 41.12 H new ATOM 0 HD2 LYS A 54 -6.105 1.334 -11.802 1.00 23.13 H new ATOM 0 HD3 LYS A 54 -6.223 3.045 -11.442 1.00 23.13 H new ATOM 0 HE2 LYS A 54 -7.842 2.316 -13.193 1.00 12.14 H new ATOM 0 HE3 LYS A 54 -6.757 3.571 -13.756 1.00 12.14 H new ATOM 0 HZ1 LYS A 54 -7.205 1.406 -15.150 1.00 12.22 H new ATOM 0 HZ2 LYS A 54 -5.683 2.159 -15.159 1.00 12.22 H new ATOM 0 HZ3 LYS A 54 -5.945 0.786 -14.195 1.00 12.22 H new ATOM 893 N GLU A 55 -1.784 4.448 -13.689 1.00 52.34 N ATOM 894 CA GLU A 55 -1.208 4.505 -15.028 1.00 32.42 C ATOM 895 C GLU A 55 0.273 4.140 -14.999 1.00 61.31 C ATOM 896 O GLU A 55 0.764 3.427 -15.873 1.00 63.01 O ATOM 897 CB GLU A 55 -1.390 5.901 -15.627 1.00 2.30 C ATOM 898 CG GLU A 55 -2.610 6.025 -16.523 1.00 55.34 C ATOM 899 CD GLU A 55 -2.503 5.175 -17.775 1.00 40.54 C ATOM 900 OE1 GLU A 55 -2.905 3.994 -17.726 1.00 11.51 O ATOM 901 OE2 GLU A 55 -2.018 5.692 -18.804 1.00 25.53 O ATOM 0 H GLU A 55 -2.278 5.294 -13.406 1.00 52.34 H new ATOM 0 HA GLU A 55 -1.731 3.780 -15.652 1.00 32.42 H new ATOM 0 HB2 GLU A 55 -1.469 6.627 -14.818 1.00 2.30 H new ATOM 0 HB3 GLU A 55 -0.500 6.159 -16.201 1.00 2.30 H new ATOM 0 HG2 GLU A 55 -3.498 5.731 -15.964 1.00 55.34 H new ATOM 0 HG3 GLU A 55 -2.743 7.069 -16.807 1.00 55.34 H new ATOM 908 N GLY A 56 0.979 4.635 -13.987 1.00 40.34 N ATOM 909 CA GLY A 56 2.397 4.352 -13.863 1.00 72.01 C ATOM 910 C GLY A 56 2.670 2.904 -13.508 1.00 11.21 C ATOM 911 O GLY A 56 3.525 2.260 -14.116 1.00 30.33 O ATOM 0 H GLY A 56 0.594 5.227 -13.251 1.00 40.34 H new ATOM 0 HA2 GLY A 56 2.896 4.593 -14.802 1.00 72.01 H new ATOM 0 HA3 GLY A 56 2.828 4.998 -13.098 1.00 72.01 H new ATOM 915 N CYS A 57 1.944 2.393 -12.519 1.00 45.24 N ATOM 916 CA CYS A 57 2.114 1.011 -12.082 1.00 54.43 C ATOM 917 C CYS A 57 1.935 0.046 -13.249 1.00 23.42 C ATOM 918 O CYS A 57 2.626 -0.969 -13.338 1.00 43.31 O ATOM 919 CB CYS A 57 1.116 0.681 -10.972 1.00 21.45 C ATOM 920 SG CYS A 57 1.681 1.128 -9.313 1.00 40.13 S ATOM 0 H CYS A 57 1.233 2.914 -12.005 1.00 45.24 H new ATOM 0 HA CYS A 57 3.127 0.899 -11.695 1.00 54.43 H new ATOM 0 HB2 CYS A 57 0.178 1.198 -11.176 1.00 21.45 H new ATOM 0 HB3 CYS A 57 0.903 -0.388 -10.996 1.00 21.45 H new ATOM 0 HG CYS A 57 2.488 2.144 -9.389 1.00 40.13 H new ATOM 926 N GLN A 58 1.002 0.368 -14.138 1.00 72.24 N ATOM 927 CA GLN A 58 0.730 -0.474 -15.298 1.00 63.11 C ATOM 928 C GLN A 58 1.956 -0.567 -16.202 1.00 34.31 C ATOM 929 O GLN A 58 2.262 -1.629 -16.743 1.00 25.02 O ATOM 930 CB GLN A 58 -0.459 0.077 -16.087 1.00 32.11 C ATOM 931 CG GLN A 58 -0.771 -0.713 -17.348 1.00 23.44 C ATOM 932 CD GLN A 58 -2.157 -0.425 -17.890 1.00 33.13 C ATOM 933 OE1 GLN A 58 -2.990 0.174 -17.208 1.00 45.32 O ATOM 934 NE2 GLN A 58 -2.413 -0.851 -19.120 1.00 51.03 N ATOM 0 H GLN A 58 0.422 1.205 -14.078 1.00 72.24 H new ATOM 0 HA GLN A 58 0.487 -1.475 -14.941 1.00 63.11 H new ATOM 0 HB2 GLN A 58 -1.340 0.083 -15.445 1.00 32.11 H new ATOM 0 HB3 GLN A 58 -0.256 1.113 -16.358 1.00 32.11 H new ATOM 0 HG2 GLN A 58 -0.030 -0.477 -18.112 1.00 23.44 H new ATOM 0 HG3 GLN A 58 -0.682 -1.778 -17.136 1.00 23.44 H new ATOM 0 HE21 GLN A 58 -1.693 -1.343 -19.649 1.00 51.03 H new ATOM 0 HE22 GLN A 58 -3.329 -0.686 -19.536 1.00 51.03 H new ATOM 943 N LYS A 59 2.652 0.553 -16.363 1.00 23.20 N ATOM 944 CA LYS A 59 3.845 0.599 -17.200 1.00 44.33 C ATOM 945 C LYS A 59 4.998 -0.156 -16.547 1.00 40.00 C ATOM 946 O LYS A 59 5.996 -0.468 -17.198 1.00 22.22 O ATOM 947 CB LYS A 59 4.255 2.050 -17.461 1.00 55.32 C ATOM 948 CG LYS A 59 4.419 2.381 -18.934 1.00 43.42 C ATOM 949 CD LYS A 59 3.274 3.240 -19.444 1.00 42.31 C ATOM 950 CE LYS A 59 3.731 4.662 -19.736 1.00 32.23 C ATOM 951 NZ LYS A 59 2.594 5.541 -20.125 1.00 31.54 N ATOM 0 H LYS A 59 2.410 1.442 -15.925 1.00 23.20 H new ATOM 0 HA LYS A 59 3.610 0.118 -18.149 1.00 44.33 H new ATOM 0 HB2 LYS A 59 3.506 2.714 -17.030 1.00 55.32 H new ATOM 0 HB3 LYS A 59 5.194 2.252 -16.945 1.00 55.32 H new ATOM 0 HG2 LYS A 59 5.363 2.904 -19.087 1.00 43.42 H new ATOM 0 HG3 LYS A 59 4.468 1.458 -19.512 1.00 43.42 H new ATOM 0 HD2 LYS A 59 2.860 2.796 -20.350 1.00 42.31 H new ATOM 0 HD3 LYS A 59 2.474 3.259 -18.704 1.00 42.31 H new ATOM 0 HE2 LYS A 59 4.223 5.073 -18.855 1.00 32.23 H new ATOM 0 HE3 LYS A 59 4.470 4.649 -20.537 1.00 32.23 H new ATOM 0 HZ1 LYS A 59 2.947 6.501 -20.316 1.00 31.54 H new ATOM 0 HZ2 LYS A 59 2.140 5.163 -20.981 1.00 31.54 H new ATOM 0 HZ3 LYS A 59 1.900 5.574 -19.351 1.00 31.54 H new ATOM 965 N ILE A 60 4.854 -0.448 -15.258 1.00 45.23 N ATOM 966 CA ILE A 60 5.883 -1.169 -14.520 1.00 0.33 C ATOM 967 C ILE A 60 5.699 -2.677 -14.650 1.00 42.13 C ATOM 968 O ILE A 60 6.651 -3.407 -14.928 1.00 0.11 O ATOM 969 CB ILE A 60 5.873 -0.789 -13.027 1.00 1.14 C ATOM 970 CG1 ILE A 60 6.095 0.715 -12.858 1.00 52.13 C ATOM 971 CG2 ILE A 60 6.938 -1.574 -12.274 1.00 51.13 C ATOM 972 CD1 ILE A 60 5.686 1.239 -11.500 1.00 31.31 C ATOM 0 H ILE A 60 4.035 -0.196 -14.704 1.00 45.23 H new ATOM 0 HA ILE A 60 6.841 -0.884 -14.954 1.00 0.33 H new ATOM 0 HB ILE A 60 4.898 -1.042 -12.610 1.00 1.14 H new ATOM 0 HG12 ILE A 60 7.149 0.939 -13.022 1.00 52.13 H new ATOM 0 HG13 ILE A 60 5.533 1.245 -13.627 1.00 52.13 H new ATOM 0 HG21 ILE A 60 6.919 -1.295 -11.221 1.00 51.13 H new ATOM 0 HG22 ILE A 60 6.739 -2.641 -12.370 1.00 51.13 H new ATOM 0 HG23 ILE A 60 7.919 -1.349 -12.691 1.00 51.13 H new ATOM 0 HD11 ILE A 60 5.872 2.312 -11.453 1.00 31.31 H new ATOM 0 HD12 ILE A 60 4.625 1.047 -11.340 1.00 31.31 H new ATOM 0 HD13 ILE A 60 6.266 0.736 -10.726 1.00 31.31 H new ATOM 984 N LEU A 61 4.469 -3.137 -14.450 1.00 50.14 N ATOM 985 CA LEU A 61 4.159 -4.558 -14.548 1.00 74.44 C ATOM 986 C LEU A 61 4.577 -5.115 -15.906 1.00 15.31 C ATOM 987 O LEU A 61 4.914 -6.293 -16.029 1.00 61.41 O ATOM 988 CB LEU A 61 2.663 -4.791 -14.328 1.00 51.31 C ATOM 989 CG LEU A 61 2.157 -4.597 -12.899 1.00 22.14 C ATOM 990 CD1 LEU A 61 0.643 -4.729 -12.845 1.00 1.30 C ATOM 991 CD2 LEU A 61 2.815 -5.599 -11.960 1.00 34.23 C ATOM 0 H LEU A 61 3.670 -2.546 -14.219 1.00 50.14 H new ATOM 0 HA LEU A 61 4.720 -5.080 -13.773 1.00 74.44 H new ATOM 0 HB2 LEU A 61 2.111 -4.117 -14.982 1.00 51.31 H new ATOM 0 HB3 LEU A 61 2.424 -5.807 -14.642 1.00 51.31 H new ATOM 0 HG LEU A 61 2.425 -3.592 -12.573 1.00 22.14 H new ATOM 0 HD11 LEU A 61 0.302 -4.588 -11.819 1.00 1.30 H new ATOM 0 HD12 LEU A 61 0.189 -3.973 -13.486 1.00 1.30 H new ATOM 0 HD13 LEU A 61 0.352 -5.721 -13.191 1.00 1.30 H new ATOM 0 HD21 LEU A 61 2.443 -5.447 -10.947 1.00 34.23 H new ATOM 0 HD22 LEU A 61 2.578 -6.612 -12.285 1.00 34.23 H new ATOM 0 HD23 LEU A 61 3.896 -5.457 -11.975 1.00 34.23 H new ATOM 1003 N THR A 62 4.554 -4.259 -16.923 1.00 73.21 N ATOM 1004 CA THR A 62 4.931 -4.665 -18.271 1.00 41.43 C ATOM 1005 C THR A 62 6.431 -4.919 -18.369 1.00 60.31 C ATOM 1006 O THR A 62 6.881 -5.736 -19.173 1.00 35.12 O ATOM 1007 CB THR A 62 4.534 -3.599 -19.310 1.00 42.12 C ATOM 1008 OG1 THR A 62 4.309 -4.216 -20.583 1.00 55.31 O ATOM 1009 CG2 THR A 62 5.618 -2.539 -19.439 1.00 53.13 C ATOM 0 H THR A 62 4.278 -3.281 -16.839 1.00 73.21 H new ATOM 0 HA THR A 62 4.394 -5.589 -18.485 1.00 41.43 H new ATOM 0 HB THR A 62 3.616 -3.118 -18.972 1.00 42.12 H new ATOM 0 HG1 THR A 62 4.056 -3.532 -21.238 1.00 55.31 H new ATOM 0 HG21 THR A 62 5.315 -1.797 -20.178 1.00 53.13 H new ATOM 0 HG22 THR A 62 5.767 -2.052 -18.475 1.00 53.13 H new ATOM 0 HG23 THR A 62 6.550 -3.008 -19.756 1.00 53.13 H new ATOM 1017 N VAL A 63 7.201 -4.216 -17.546 1.00 24.05 N ATOM 1018 CA VAL A 63 8.651 -4.368 -17.538 1.00 20.41 C ATOM 1019 C VAL A 63 9.070 -5.610 -16.759 1.00 11.03 C ATOM 1020 O VAL A 63 9.977 -6.335 -17.167 1.00 60.51 O ATOM 1021 CB VAL A 63 9.342 -3.134 -16.927 1.00 41.12 C ATOM 1022 CG1 VAL A 63 10.851 -3.323 -16.906 1.00 3.43 C ATOM 1023 CG2 VAL A 63 8.963 -1.877 -17.696 1.00 23.15 C ATOM 0 H VAL A 63 6.845 -3.535 -16.875 1.00 24.05 H new ATOM 0 HA VAL A 63 8.963 -4.472 -18.577 1.00 20.41 H new ATOM 0 HB VAL A 63 9.001 -3.019 -15.898 1.00 41.12 H new ATOM 0 HG11 VAL A 63 11.322 -2.441 -16.471 1.00 3.43 H new ATOM 0 HG12 VAL A 63 11.100 -4.200 -16.308 1.00 3.43 H new ATOM 0 HG13 VAL A 63 11.214 -3.464 -17.924 1.00 3.43 H new ATOM 0 HG21 VAL A 63 9.460 -1.015 -17.251 1.00 23.15 H new ATOM 0 HG22 VAL A 63 9.274 -1.979 -18.736 1.00 23.15 H new ATOM 0 HG23 VAL A 63 7.883 -1.736 -17.653 1.00 23.15 H new ATOM 1033 N LEU A 64 8.403 -5.848 -15.635 1.00 72.30 N ATOM 1034 CA LEU A 64 8.705 -7.003 -14.796 1.00 70.10 C ATOM 1035 C LEU A 64 7.860 -8.206 -15.202 1.00 64.43 C ATOM 1036 O LEU A 64 7.961 -9.278 -14.605 1.00 73.01 O ATOM 1037 CB LEU A 64 8.461 -6.668 -13.324 1.00 61.20 C ATOM 1038 CG LEU A 64 9.090 -5.369 -12.819 1.00 31.42 C ATOM 1039 CD1 LEU A 64 8.267 -4.785 -11.682 1.00 13.33 C ATOM 1040 CD2 LEU A 64 10.525 -5.611 -12.371 1.00 52.52 C ATOM 0 H LEU A 64 7.650 -5.257 -15.283 1.00 72.30 H new ATOM 0 HA LEU A 64 9.756 -7.256 -14.935 1.00 70.10 H new ATOM 0 HB2 LEU A 64 7.385 -6.616 -13.157 1.00 61.20 H new ATOM 0 HB3 LEU A 64 8.838 -7.491 -12.717 1.00 61.20 H new ATOM 0 HG LEU A 64 9.102 -4.650 -13.638 1.00 31.42 H new ATOM 0 HD11 LEU A 64 8.730 -3.861 -11.335 1.00 13.33 H new ATOM 0 HD12 LEU A 64 7.257 -4.575 -12.034 1.00 13.33 H new ATOM 0 HD13 LEU A 64 8.223 -5.500 -10.860 1.00 13.33 H new ATOM 0 HD21 LEU A 64 10.957 -4.676 -12.015 1.00 52.52 H new ATOM 0 HD22 LEU A 64 10.536 -6.346 -11.566 1.00 52.52 H new ATOM 0 HD23 LEU A 64 11.110 -5.985 -13.211 1.00 52.52 H new ATOM 1052 N ASP A 65 7.030 -8.023 -16.224 1.00 4.32 N ATOM 1053 CA ASP A 65 6.170 -9.094 -16.712 1.00 3.22 C ATOM 1054 C ASP A 65 7.001 -10.247 -17.266 1.00 53.15 C ATOM 1055 O ASP A 65 6.928 -11.382 -16.793 1.00 13.41 O ATOM 1056 CB ASP A 65 5.224 -8.565 -17.791 1.00 41.22 C ATOM 1057 CG ASP A 65 4.906 -9.608 -18.844 1.00 35.42 C ATOM 1058 OD1 ASP A 65 4.519 -10.735 -18.466 1.00 3.12 O ATOM 1059 OD2 ASP A 65 5.040 -9.299 -20.046 1.00 4.22 O ATOM 0 H ASP A 65 6.935 -7.143 -16.730 1.00 4.32 H new ATOM 0 HA ASP A 65 5.580 -9.465 -15.874 1.00 3.22 H new ATOM 0 HB2 ASP A 65 4.298 -8.229 -17.325 1.00 41.22 H new ATOM 0 HB3 ASP A 65 5.674 -7.695 -18.270 1.00 41.22 H new ATOM 1064 N PRO A 66 7.808 -9.954 -18.296 1.00 3.51 N ATOM 1065 CA PRO A 66 8.668 -10.952 -18.938 1.00 72.14 C ATOM 1066 C PRO A 66 9.815 -11.395 -18.037 1.00 22.42 C ATOM 1067 O PRO A 66 10.554 -12.323 -18.367 1.00 61.22 O ATOM 1068 CB PRO A 66 9.207 -10.219 -20.169 1.00 4.23 C ATOM 1069 CG PRO A 66 9.147 -8.775 -19.805 1.00 52.15 C ATOM 1070 CD PRO A 66 7.946 -8.623 -18.913 1.00 0.25 C ATOM 0 HA PRO A 66 8.123 -11.866 -19.175 1.00 72.14 H new ATOM 0 HB2 PRO A 66 10.227 -10.528 -20.399 1.00 4.23 H new ATOM 0 HB3 PRO A 66 8.604 -10.430 -21.052 1.00 4.23 H new ATOM 0 HG2 PRO A 66 10.057 -8.464 -19.291 1.00 52.15 H new ATOM 0 HG3 PRO A 66 9.054 -8.152 -20.694 1.00 52.15 H new ATOM 0 HD2 PRO A 66 8.098 -7.846 -18.163 1.00 0.25 H new ATOM 0 HD3 PRO A 66 7.056 -8.349 -19.480 1.00 0.25 H new ATOM 1078 N MET A 67 9.958 -10.727 -16.897 1.00 24.31 N ATOM 1079 CA MET A 67 11.016 -11.054 -15.947 1.00 72.15 C ATOM 1080 C MET A 67 10.637 -12.272 -15.110 1.00 72.23 C ATOM 1081 O MET A 67 11.489 -12.885 -14.467 1.00 61.34 O ATOM 1082 CB MET A 67 11.296 -9.860 -15.033 1.00 23.24 C ATOM 1083 CG MET A 67 11.895 -8.666 -15.759 1.00 63.42 C ATOM 1084 SD MET A 67 12.883 -7.618 -14.675 1.00 41.11 S ATOM 1085 CE MET A 67 12.917 -6.095 -15.617 1.00 1.34 C ATOM 0 H MET A 67 9.355 -9.956 -16.608 1.00 24.31 H new ATOM 0 HA MET A 67 11.918 -11.290 -16.512 1.00 72.15 H new ATOM 0 HB2 MET A 67 10.366 -9.554 -14.553 1.00 23.24 H new ATOM 0 HB3 MET A 67 11.976 -10.171 -14.240 1.00 23.24 H new ATOM 0 HG2 MET A 67 12.517 -9.020 -16.581 1.00 63.42 H new ATOM 0 HG3 MET A 67 11.093 -8.073 -16.199 1.00 63.42 H new ATOM 0 HE1 MET A 67 13.951 -5.818 -15.824 1.00 1.34 H new ATOM 0 HE2 MET A 67 12.384 -6.237 -16.557 1.00 1.34 H new ATOM 0 HE3 MET A 67 12.437 -5.302 -15.044 1.00 1.34 H new ATOM 1095 N VAL A 68 9.353 -12.618 -15.124 1.00 5.40 N ATOM 1096 CA VAL A 68 8.863 -13.764 -14.367 1.00 14.32 C ATOM 1097 C VAL A 68 9.501 -15.059 -14.854 1.00 52.55 C ATOM 1098 O VAL A 68 10.148 -15.784 -14.099 1.00 43.30 O ATOM 1099 CB VAL A 68 7.331 -13.888 -14.469 1.00 35.15 C ATOM 1100 CG1 VAL A 68 6.901 -15.339 -14.304 1.00 14.32 C ATOM 1101 CG2 VAL A 68 6.654 -13.003 -13.433 1.00 53.41 C ATOM 0 H VAL A 68 8.634 -12.121 -15.651 1.00 5.40 H new ATOM 0 HA VAL A 68 9.139 -13.598 -13.326 1.00 14.32 H new ATOM 0 HB VAL A 68 7.022 -13.551 -15.459 1.00 35.15 H new ATOM 0 HG11 VAL A 68 5.816 -15.408 -14.379 1.00 14.32 H new ATOM 0 HG12 VAL A 68 7.358 -15.945 -15.086 1.00 14.32 H new ATOM 0 HG13 VAL A 68 7.221 -15.705 -13.328 1.00 14.32 H new ATOM 0 HG21 VAL A 68 5.572 -13.103 -13.520 1.00 53.41 H new ATOM 0 HG22 VAL A 68 6.968 -13.307 -12.434 1.00 53.41 H new ATOM 0 HG23 VAL A 68 6.937 -11.964 -13.602 1.00 53.41 H new ATOM 1111 N PRO A 69 9.316 -15.358 -16.148 1.00 63.23 N ATOM 1112 CA PRO A 69 9.868 -16.568 -16.768 1.00 11.13 C ATOM 1113 C PRO A 69 11.386 -16.513 -16.895 1.00 72.40 C ATOM 1114 O PRO A 69 12.013 -17.450 -17.392 1.00 53.51 O ATOM 1115 CB PRO A 69 9.215 -16.587 -18.152 1.00 73.22 C ATOM 1116 CG PRO A 69 8.887 -15.162 -18.436 1.00 41.25 C ATOM 1117 CD PRO A 69 8.556 -14.540 -17.108 1.00 33.41 C ATOM 0 HA PRO A 69 9.665 -17.459 -16.174 1.00 11.13 H new ATOM 0 HB2 PRO A 69 9.891 -16.995 -18.903 1.00 73.22 H new ATOM 0 HB3 PRO A 69 8.319 -17.208 -18.159 1.00 73.22 H new ATOM 0 HG2 PRO A 69 9.729 -14.654 -18.906 1.00 41.25 H new ATOM 0 HG3 PRO A 69 8.045 -15.085 -19.124 1.00 41.25 H new ATOM 0 HD2 PRO A 69 8.856 -13.493 -17.069 1.00 33.41 H new ATOM 0 HD3 PRO A 69 7.486 -14.573 -16.905 1.00 33.41 H new ATOM 1125 N THR A 70 11.974 -15.410 -16.443 1.00 52.45 N ATOM 1126 CA THR A 70 13.419 -15.233 -16.508 1.00 12.10 C ATOM 1127 C THR A 70 13.958 -14.637 -15.212 1.00 65.32 C ATOM 1128 O THR A 70 14.901 -13.848 -15.225 1.00 52.31 O ATOM 1129 CB THR A 70 13.822 -14.322 -17.684 1.00 31.43 C ATOM 1130 OG1 THR A 70 13.320 -12.998 -17.472 1.00 21.14 O ATOM 1131 CG2 THR A 70 13.286 -14.869 -18.998 1.00 40.24 C ATOM 0 H THR A 70 11.471 -14.626 -16.028 1.00 52.45 H new ATOM 0 HA THR A 70 13.852 -16.222 -16.659 1.00 12.10 H new ATOM 0 HB THR A 70 14.910 -14.293 -17.737 1.00 31.43 H new ATOM 0 HG1 THR A 70 12.412 -12.931 -17.834 1.00 21.14 H new ATOM 0 HG21 THR A 70 13.582 -14.210 -19.814 1.00 40.24 H new ATOM 0 HG22 THR A 70 13.693 -15.866 -19.170 1.00 40.24 H new ATOM 0 HG23 THR A 70 12.198 -14.924 -18.953 1.00 40.24 H new ATOM 1139 N GLY A 71 13.355 -15.024 -14.092 1.00 33.01 N ATOM 1140 CA GLY A 71 13.789 -14.520 -12.803 1.00 5.33 C ATOM 1141 C GLY A 71 13.614 -15.537 -11.693 1.00 24.42 C ATOM 1142 O GLY A 71 13.087 -16.627 -11.918 1.00 2.51 O ATOM 0 H GLY A 71 12.573 -15.678 -14.055 1.00 33.01 H new ATOM 0 HA2 GLY A 71 14.838 -14.231 -12.864 1.00 5.33 H new ATOM 0 HA3 GLY A 71 13.224 -13.620 -12.559 1.00 5.33 H new ATOM 1146 N SER A 72 14.060 -15.184 -10.492 1.00 4.41 N ATOM 1147 CA SER A 72 13.956 -16.077 -9.344 1.00 52.41 C ATOM 1148 C SER A 72 12.948 -15.543 -8.330 1.00 50.43 C ATOM 1149 O SER A 72 12.227 -14.583 -8.603 1.00 45.13 O ATOM 1150 CB SER A 72 15.323 -16.248 -8.679 1.00 10.02 C ATOM 1151 OG SER A 72 15.575 -15.203 -7.755 1.00 22.44 O ATOM 0 H SER A 72 14.497 -14.285 -10.288 1.00 4.41 H new ATOM 0 HA SER A 72 13.609 -17.047 -9.700 1.00 52.41 H new ATOM 0 HB2 SER A 72 15.364 -17.209 -8.166 1.00 10.02 H new ATOM 0 HB3 SER A 72 16.103 -16.260 -9.441 1.00 10.02 H new ATOM 0 HG SER A 72 16.454 -15.336 -7.342 1.00 22.44 H new ATOM 1157 N GLU A 73 12.905 -16.172 -7.161 1.00 31.44 N ATOM 1158 CA GLU A 73 11.985 -15.762 -6.106 1.00 62.33 C ATOM 1159 C GLU A 73 12.216 -14.304 -5.720 1.00 23.03 C ATOM 1160 O GLU A 73 11.275 -13.578 -5.405 1.00 20.12 O ATOM 1161 CB GLU A 73 12.149 -16.659 -4.878 1.00 34.00 C ATOM 1162 CG GLU A 73 11.510 -18.028 -5.035 1.00 25.11 C ATOM 1163 CD GLU A 73 12.008 -19.026 -4.006 1.00 43.45 C ATOM 1164 OE1 GLU A 73 12.435 -18.591 -2.917 1.00 3.32 O ATOM 1165 OE2 GLU A 73 11.973 -20.241 -4.293 1.00 30.14 O ATOM 0 H GLU A 73 13.496 -16.967 -6.920 1.00 31.44 H new ATOM 0 HA GLU A 73 10.968 -15.863 -6.486 1.00 62.33 H new ATOM 0 HB2 GLU A 73 13.211 -16.785 -4.670 1.00 34.00 H new ATOM 0 HB3 GLU A 73 11.712 -16.160 -4.013 1.00 34.00 H new ATOM 0 HG2 GLU A 73 10.428 -17.932 -4.948 1.00 25.11 H new ATOM 0 HG3 GLU A 73 11.717 -18.409 -6.035 1.00 25.11 H new ATOM 1172 N ASN A 74 13.477 -13.884 -5.747 1.00 22.02 N ATOM 1173 CA ASN A 74 13.833 -12.514 -5.399 1.00 14.54 C ATOM 1174 C ASN A 74 13.277 -11.529 -6.423 1.00 72.45 C ATOM 1175 O ASN A 74 12.939 -10.392 -6.089 1.00 21.33 O ATOM 1176 CB ASN A 74 15.353 -12.367 -5.307 1.00 51.55 C ATOM 1177 CG ASN A 74 15.911 -12.920 -4.011 1.00 3.44 C ATOM 1178 OD1 ASN A 74 15.668 -12.373 -2.934 1.00 55.23 O ATOM 1179 ND2 ASN A 74 16.664 -14.009 -4.107 1.00 52.21 N ATOM 0 H ASN A 74 14.269 -14.473 -6.006 1.00 22.02 H new ATOM 0 HA ASN A 74 13.393 -12.287 -4.428 1.00 14.54 H new ATOM 0 HB2 ASN A 74 15.816 -12.883 -6.148 1.00 51.55 H new ATOM 0 HB3 ASN A 74 15.619 -11.313 -5.393 1.00 51.55 H new ATOM 0 HD21 ASN A 74 17.067 -14.426 -3.268 1.00 52.21 H new ATOM 0 HD22 ASN A 74 16.839 -14.429 -5.020 1.00 52.21 H new ATOM 1186 N LEU A 75 13.183 -11.973 -7.671 1.00 74.02 N ATOM 1187 CA LEU A 75 12.666 -11.132 -8.746 1.00 34.20 C ATOM 1188 C LEU A 75 11.141 -11.168 -8.780 1.00 3.51 C ATOM 1189 O LEU A 75 10.484 -10.128 -8.731 1.00 75.14 O ATOM 1190 CB LEU A 75 13.228 -11.589 -10.093 1.00 72.34 C ATOM 1191 CG LEU A 75 12.659 -10.893 -11.330 1.00 35.42 C ATOM 1192 CD1 LEU A 75 13.708 -10.807 -12.425 1.00 61.32 C ATOM 1193 CD2 LEU A 75 11.420 -11.625 -11.830 1.00 22.14 C ATOM 0 H LEU A 75 13.458 -12.910 -7.964 1.00 74.02 H new ATOM 0 HA LEU A 75 12.983 -10.107 -8.556 1.00 34.20 H new ATOM 0 HB2 LEU A 75 14.308 -11.441 -10.082 1.00 72.34 H new ATOM 0 HB3 LEU A 75 13.054 -12.661 -10.192 1.00 72.34 H new ATOM 0 HG LEU A 75 12.371 -9.879 -11.053 1.00 35.42 H new ATOM 0 HD11 LEU A 75 13.284 -10.309 -13.297 1.00 61.32 H new ATOM 0 HD12 LEU A 75 14.565 -10.239 -12.064 1.00 61.32 H new ATOM 0 HD13 LEU A 75 14.029 -11.811 -12.701 1.00 61.32 H new ATOM 0 HD21 LEU A 75 11.028 -11.117 -12.711 1.00 22.14 H new ATOM 0 HD22 LEU A 75 11.683 -12.650 -12.090 1.00 22.14 H new ATOM 0 HD23 LEU A 75 10.661 -11.633 -11.047 1.00 22.14 H new ATOM 1205 N LYS A 76 10.584 -12.372 -8.861 1.00 11.11 N ATOM 1206 CA LYS A 76 9.137 -12.544 -8.898 1.00 70.04 C ATOM 1207 C LYS A 76 8.468 -11.774 -7.764 1.00 51.42 C ATOM 1208 O LYS A 76 7.363 -11.254 -7.921 1.00 64.01 O ATOM 1209 CB LYS A 76 8.777 -14.029 -8.802 1.00 1.21 C ATOM 1210 CG LYS A 76 7.764 -14.478 -9.841 1.00 44.14 C ATOM 1211 CD LYS A 76 7.291 -15.898 -9.581 1.00 14.12 C ATOM 1212 CE LYS A 76 8.446 -16.886 -9.612 1.00 50.21 C ATOM 1213 NZ LYS A 76 9.061 -17.064 -8.267 1.00 51.54 N ATOM 0 H LYS A 76 11.113 -13.243 -8.902 1.00 11.11 H new ATOM 0 HA LYS A 76 8.773 -12.148 -9.846 1.00 70.04 H new ATOM 0 HB2 LYS A 76 9.685 -14.622 -8.912 1.00 1.21 H new ATOM 0 HB3 LYS A 76 8.380 -14.235 -7.808 1.00 1.21 H new ATOM 0 HG2 LYS A 76 6.909 -13.802 -9.833 1.00 44.14 H new ATOM 0 HG3 LYS A 76 8.209 -14.418 -10.834 1.00 44.14 H new ATOM 0 HD2 LYS A 76 6.796 -15.946 -8.611 1.00 14.12 H new ATOM 0 HD3 LYS A 76 6.551 -16.179 -10.330 1.00 14.12 H new ATOM 0 HE2 LYS A 76 8.090 -17.849 -9.979 1.00 50.21 H new ATOM 0 HE3 LYS A 76 9.203 -16.537 -10.314 1.00 50.21 H new ATOM 0 HZ1 LYS A 76 10.071 -16.822 -8.313 1.00 51.54 H new ATOM 0 HZ2 LYS A 76 8.586 -16.441 -7.583 1.00 51.54 H new ATOM 0 HZ3 LYS A 76 8.955 -18.054 -7.965 1.00 51.54 H new ATOM 1227 N SER A 77 9.145 -11.704 -6.623 1.00 12.14 N ATOM 1228 CA SER A 77 8.615 -10.998 -5.461 1.00 62.12 C ATOM 1229 C SER A 77 8.308 -9.543 -5.803 1.00 73.42 C ATOM 1230 O SER A 77 7.315 -8.980 -5.339 1.00 42.02 O ATOM 1231 CB SER A 77 9.609 -11.063 -4.301 1.00 43.20 C ATOM 1232 OG SER A 77 9.560 -12.323 -3.656 1.00 71.31 O ATOM 0 H SER A 77 10.062 -12.127 -6.477 1.00 12.14 H new ATOM 0 HA SER A 77 7.687 -11.486 -5.162 1.00 62.12 H new ATOM 0 HB2 SER A 77 10.618 -10.880 -4.672 1.00 43.20 H new ATOM 0 HB3 SER A 77 9.386 -10.274 -3.582 1.00 43.20 H new ATOM 0 HG SER A 77 10.129 -12.959 -4.138 1.00 71.31 H new ATOM 1238 N LEU A 78 9.166 -8.940 -6.618 1.00 2.52 N ATOM 1239 CA LEU A 78 8.989 -7.550 -7.023 1.00 10.32 C ATOM 1240 C LEU A 78 7.849 -7.417 -8.027 1.00 50.45 C ATOM 1241 O LEU A 78 7.210 -6.370 -8.122 1.00 14.20 O ATOM 1242 CB LEU A 78 10.283 -7.006 -7.629 1.00 2.35 C ATOM 1243 CG LEU A 78 10.169 -5.673 -8.371 1.00 20.42 C ATOM 1244 CD1 LEU A 78 9.762 -4.563 -7.415 1.00 14.11 C ATOM 1245 CD2 LEU A 78 11.482 -5.332 -9.059 1.00 24.01 C ATOM 0 H LEU A 78 9.991 -9.392 -7.012 1.00 2.52 H new ATOM 0 HA LEU A 78 8.738 -6.968 -6.136 1.00 10.32 H new ATOM 0 HB2 LEU A 78 11.015 -6.892 -6.830 1.00 2.35 H new ATOM 0 HB3 LEU A 78 10.678 -7.751 -8.320 1.00 2.35 H new ATOM 0 HG LEU A 78 9.396 -5.769 -9.134 1.00 20.42 H new ATOM 0 HD11 LEU A 78 9.686 -3.623 -7.961 1.00 14.11 H new ATOM 0 HD12 LEU A 78 8.797 -4.803 -6.969 1.00 14.11 H new ATOM 0 HD13 LEU A 78 10.511 -4.467 -6.629 1.00 14.11 H new ATOM 0 HD21 LEU A 78 11.383 -4.381 -9.582 1.00 24.01 H new ATOM 0 HD22 LEU A 78 12.274 -5.256 -8.314 1.00 24.01 H new ATOM 0 HD23 LEU A 78 11.732 -6.115 -9.775 1.00 24.01 H new ATOM 1257 N PHE A 79 7.599 -8.487 -8.776 1.00 54.51 N ATOM 1258 CA PHE A 79 6.535 -8.491 -9.773 1.00 55.21 C ATOM 1259 C PHE A 79 5.172 -8.681 -9.114 1.00 22.31 C ATOM 1260 O PHE A 79 4.200 -8.016 -9.468 1.00 2.31 O ATOM 1261 CB PHE A 79 6.775 -9.596 -10.803 1.00 24.32 C ATOM 1262 CG PHE A 79 5.627 -9.794 -11.750 1.00 52.42 C ATOM 1263 CD1 PHE A 79 5.322 -8.833 -12.700 1.00 43.53 C ATOM 1264 CD2 PHE A 79 4.851 -10.940 -11.689 1.00 35.31 C ATOM 1265 CE1 PHE A 79 4.266 -9.012 -13.575 1.00 12.45 C ATOM 1266 CE2 PHE A 79 3.793 -11.124 -12.560 1.00 64.44 C ATOM 1267 CZ PHE A 79 3.501 -10.158 -13.503 1.00 35.12 C ATOM 0 H PHE A 79 8.119 -9.362 -8.711 1.00 54.51 H new ATOM 0 HA PHE A 79 6.543 -7.525 -10.279 1.00 55.21 H new ATOM 0 HB2 PHE A 79 7.671 -9.359 -11.376 1.00 24.32 H new ATOM 0 HB3 PHE A 79 6.970 -10.532 -10.280 1.00 24.32 H new ATOM 0 HD1 PHE A 79 5.916 -7.933 -12.758 1.00 43.53 H new ATOM 0 HD2 PHE A 79 5.075 -11.698 -10.953 1.00 35.31 H new ATOM 0 HE1 PHE A 79 4.041 -8.256 -14.313 1.00 12.45 H new ATOM 0 HE2 PHE A 79 3.196 -12.022 -12.503 1.00 64.44 H new ATOM 0 HZ PHE A 79 2.674 -10.300 -14.184 1.00 35.12 H new ATOM 1277 N ASN A 80 5.110 -9.598 -8.152 1.00 42.41 N ATOM 1278 CA ASN A 80 3.867 -9.878 -7.443 1.00 30.02 C ATOM 1279 C ASN A 80 3.440 -8.682 -6.598 1.00 73.14 C ATOM 1280 O ASN A 80 2.249 -8.447 -6.389 1.00 21.20 O ATOM 1281 CB ASN A 80 4.030 -11.113 -6.554 1.00 14.05 C ATOM 1282 CG ASN A 80 4.332 -10.750 -5.113 1.00 33.33 C ATOM 1283 OD1 ASN A 80 5.493 -10.676 -4.709 1.00 75.52 O ATOM 1284 ND2 ASN A 80 3.284 -10.524 -4.328 1.00 52.54 N ATOM 0 H ASN A 80 5.906 -10.159 -7.847 1.00 42.41 H new ATOM 0 HA ASN A 80 3.091 -10.071 -8.184 1.00 30.02 H new ATOM 0 HB2 ASN A 80 3.118 -11.708 -6.593 1.00 14.05 H new ATOM 0 HB3 ASN A 80 4.834 -11.736 -6.945 1.00 14.05 H new ATOM 0 HD21 ASN A 80 3.424 -10.278 -3.348 1.00 52.54 H new ATOM 0 HD22 ASN A 80 2.339 -10.597 -4.705 1.00 52.54 H new ATOM 1291 N THR A 81 4.421 -7.926 -6.115 1.00 52.41 N ATOM 1292 CA THR A 81 4.148 -6.753 -5.292 1.00 70.44 C ATOM 1293 C THR A 81 3.546 -5.627 -6.124 1.00 31.14 C ATOM 1294 O THR A 81 2.549 -5.019 -5.734 1.00 12.12 O ATOM 1295 CB THR A 81 5.427 -6.240 -4.603 1.00 62.44 C ATOM 1296 OG1 THR A 81 5.979 -7.266 -3.770 1.00 15.00 O ATOM 1297 CG2 THR A 81 5.133 -5.004 -3.768 1.00 12.33 C ATOM 0 H THR A 81 5.412 -8.105 -6.279 1.00 52.41 H new ATOM 0 HA THR A 81 3.432 -7.061 -4.530 1.00 70.44 H new ATOM 0 HB THR A 81 6.148 -5.973 -5.376 1.00 62.44 H new ATOM 0 HG1 THR A 81 6.588 -7.824 -4.298 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.051 -4.660 -3.291 1.00 12.33 H new ATOM 0 HG22 THR A 81 4.740 -4.216 -4.410 1.00 12.33 H new ATOM 0 HG23 THR A 81 4.396 -5.249 -3.003 1.00 12.33 H new ATOM 1305 N VAL A 82 4.157 -5.353 -7.272 1.00 73.22 N ATOM 1306 CA VAL A 82 3.679 -4.300 -8.159 1.00 54.24 C ATOM 1307 C VAL A 82 2.250 -4.572 -8.617 1.00 2.52 C ATOM 1308 O VAL A 82 1.547 -3.666 -9.066 1.00 3.01 O ATOM 1309 CB VAL A 82 4.583 -4.155 -9.398 1.00 63.52 C ATOM 1310 CG1 VAL A 82 4.068 -3.054 -10.311 1.00 5.14 C ATOM 1311 CG2 VAL A 82 6.020 -3.885 -8.979 1.00 52.33 C ATOM 0 H VAL A 82 4.984 -5.846 -7.609 1.00 73.22 H new ATOM 0 HA VAL A 82 3.705 -3.372 -7.588 1.00 54.24 H new ATOM 0 HB VAL A 82 4.561 -5.092 -9.954 1.00 63.52 H new ATOM 0 HG11 VAL A 82 4.720 -2.967 -11.180 1.00 5.14 H new ATOM 0 HG12 VAL A 82 3.057 -3.296 -10.639 1.00 5.14 H new ATOM 0 HG13 VAL A 82 4.057 -2.108 -9.770 1.00 5.14 H new ATOM 0 HG21 VAL A 82 6.645 -3.785 -9.866 1.00 52.33 H new ATOM 0 HG22 VAL A 82 6.063 -2.963 -8.399 1.00 52.33 H new ATOM 0 HG23 VAL A 82 6.383 -4.713 -8.371 1.00 52.33 H new ATOM 1321 N CYS A 83 1.826 -5.825 -8.498 1.00 72.40 N ATOM 1322 CA CYS A 83 0.480 -6.218 -8.899 1.00 12.42 C ATOM 1323 C CYS A 83 -0.549 -5.765 -7.868 1.00 30.41 C ATOM 1324 O CYS A 83 -1.603 -5.232 -8.219 1.00 24.51 O ATOM 1325 CB CYS A 83 0.402 -7.735 -9.083 1.00 13.21 C ATOM 1326 SG CYS A 83 1.007 -8.315 -10.684 1.00 70.14 S ATOM 0 H CYS A 83 2.395 -6.586 -8.127 1.00 72.40 H new ATOM 0 HA CYS A 83 0.254 -5.732 -9.848 1.00 12.42 H new ATOM 0 HB2 CYS A 83 0.978 -8.216 -8.293 1.00 13.21 H new ATOM 0 HB3 CYS A 83 -0.634 -8.052 -8.961 1.00 13.21 H new ATOM 0 HG CYS A 83 2.306 -8.357 -10.668 1.00 70.14 H new ATOM 1332 N VAL A 84 -0.238 -5.982 -6.594 1.00 23.22 N ATOM 1333 CA VAL A 84 -1.134 -5.597 -5.512 1.00 13.43 C ATOM 1334 C VAL A 84 -1.290 -4.081 -5.439 1.00 22.54 C ATOM 1335 O VAL A 84 -2.377 -3.572 -5.168 1.00 1.21 O ATOM 1336 CB VAL A 84 -0.629 -6.116 -4.152 1.00 52.53 C ATOM 1337 CG1 VAL A 84 -1.470 -5.550 -3.018 1.00 23.13 C ATOM 1338 CG2 VAL A 84 -0.637 -7.636 -4.127 1.00 24.34 C ATOM 0 H VAL A 84 0.629 -6.423 -6.287 1.00 23.22 H new ATOM 0 HA VAL A 84 -2.102 -6.049 -5.728 1.00 13.43 H new ATOM 0 HB VAL A 84 0.398 -5.779 -4.012 1.00 52.53 H new ATOM 0 HG11 VAL A 84 -1.098 -5.928 -2.066 1.00 23.13 H new ATOM 0 HG12 VAL A 84 -1.407 -4.462 -3.026 1.00 23.13 H new ATOM 0 HG13 VAL A 84 -2.509 -5.854 -3.148 1.00 23.13 H new ATOM 0 HG21 VAL A 84 -0.277 -7.986 -3.159 1.00 24.34 H new ATOM 0 HG22 VAL A 84 -1.653 -7.997 -4.289 1.00 24.34 H new ATOM 0 HG23 VAL A 84 0.013 -8.016 -4.915 1.00 24.34 H new ATOM 1348 N ILE A 85 -0.195 -3.369 -5.683 1.00 55.53 N ATOM 1349 CA ILE A 85 -0.211 -1.911 -5.647 1.00 73.51 C ATOM 1350 C ILE A 85 -1.197 -1.347 -6.664 1.00 54.12 C ATOM 1351 O ILE A 85 -1.785 -0.286 -6.451 1.00 12.14 O ATOM 1352 CB ILE A 85 1.187 -1.327 -5.924 1.00 51.32 C ATOM 1353 CG1 ILE A 85 2.187 -1.821 -4.877 1.00 53.24 C ATOM 1354 CG2 ILE A 85 1.132 0.194 -5.936 1.00 52.43 C ATOM 1355 CD1 ILE A 85 1.929 -1.275 -3.490 1.00 33.52 C ATOM 0 H ILE A 85 0.713 -3.777 -5.907 1.00 55.53 H new ATOM 0 HA ILE A 85 -0.524 -1.623 -4.644 1.00 73.51 H new ATOM 0 HB ILE A 85 1.519 -1.667 -6.905 1.00 51.32 H new ATOM 0 HG12 ILE A 85 2.155 -2.910 -4.842 1.00 53.24 H new ATOM 0 HG13 ILE A 85 3.194 -1.541 -5.187 1.00 53.24 H new ATOM 0 HG21 ILE A 85 2.127 0.593 -6.133 1.00 52.43 H new ATOM 0 HG22 ILE A 85 0.447 0.527 -6.716 1.00 52.43 H new ATOM 0 HG23 ILE A 85 0.782 0.553 -4.968 1.00 52.43 H new ATOM 0 HD11 ILE A 85 2.676 -1.667 -2.800 1.00 33.52 H new ATOM 0 HD12 ILE A 85 1.990 -0.187 -3.510 1.00 33.52 H new ATOM 0 HD13 ILE A 85 0.935 -1.577 -3.159 1.00 33.52 H new ATOM 1367 N TRP A 86 -1.373 -2.062 -7.769 1.00 33.53 N ATOM 1368 CA TRP A 86 -2.291 -1.633 -8.818 1.00 43.24 C ATOM 1369 C TRP A 86 -3.739 -1.768 -8.364 1.00 74.11 C ATOM 1370 O TRP A 86 -4.585 -0.937 -8.701 1.00 61.20 O ATOM 1371 CB TRP A 86 -2.063 -2.454 -10.089 1.00 61.34 C ATOM 1372 CG TRP A 86 -2.891 -1.992 -11.251 1.00 22.44 C ATOM 1373 CD1 TRP A 86 -2.546 -1.054 -12.181 1.00 34.20 C ATOM 1374 CD2 TRP A 86 -4.201 -2.448 -11.604 1.00 73.10 C ATOM 1375 NE1 TRP A 86 -3.564 -0.898 -13.091 1.00 22.52 N ATOM 1376 CE2 TRP A 86 -4.590 -1.743 -12.760 1.00 64.50 C ATOM 1377 CE3 TRP A 86 -5.083 -3.385 -11.058 1.00 40.20 C ATOM 1378 CZ2 TRP A 86 -5.822 -1.946 -13.376 1.00 1.02 C ATOM 1379 CZ3 TRP A 86 -6.306 -3.584 -11.670 1.00 24.03 C ATOM 1380 CH2 TRP A 86 -6.666 -2.868 -12.819 1.00 52.24 C ATOM 0 H TRP A 86 -0.893 -2.941 -7.962 1.00 33.53 H new ATOM 0 HA TRP A 86 -2.094 -0.582 -9.031 1.00 43.24 H new ATOM 0 HB2 TRP A 86 -1.009 -2.404 -10.361 1.00 61.34 H new ATOM 0 HB3 TRP A 86 -2.290 -3.500 -9.883 1.00 61.34 H new ATOM 0 HD1 TRP A 86 -1.611 -0.514 -12.199 1.00 34.20 H new ATOM 0 HE1 TRP A 86 -3.557 -0.257 -13.884 1.00 22.52 H new ATOM 0 HE3 TRP A 86 -4.814 -3.943 -10.174 1.00 40.20 H new ATOM 0 HZ2 TRP A 86 -6.102 -1.395 -14.262 1.00 1.02 H new ATOM 0 HZ3 TRP A 86 -6.996 -4.304 -11.255 1.00 24.03 H new ATOM 0 HH2 TRP A 86 -7.629 -3.047 -13.274 1.00 52.24 H new ATOM 1391 N CYS A 87 -4.021 -2.817 -7.600 1.00 0.30 N ATOM 1392 CA CYS A 87 -5.369 -3.060 -7.099 1.00 52.31 C ATOM 1393 C CYS A 87 -5.784 -1.978 -6.107 1.00 50.12 C ATOM 1394 O CYS A 87 -6.965 -1.831 -5.792 1.00 72.31 O ATOM 1395 CB CYS A 87 -5.450 -4.436 -6.437 1.00 54.40 C ATOM 1396 SG CYS A 87 -5.977 -5.760 -7.549 1.00 2.12 S ATOM 0 H CYS A 87 -3.333 -3.514 -7.314 1.00 0.30 H new ATOM 0 HA CYS A 87 -6.055 -3.033 -7.946 1.00 52.31 H new ATOM 0 HB2 CYS A 87 -4.472 -4.688 -6.027 1.00 54.40 H new ATOM 0 HB3 CYS A 87 -6.144 -4.383 -5.598 1.00 54.40 H new ATOM 0 HG CYS A 87 -5.440 -6.883 -7.172 1.00 2.12 H new ATOM 1402 N ILE A 88 -4.804 -1.227 -5.616 1.00 54.42 N ATOM 1403 CA ILE A 88 -5.068 -0.159 -4.658 1.00 62.53 C ATOM 1404 C ILE A 88 -5.531 1.111 -5.364 1.00 75.43 C ATOM 1405 O ILE A 88 -6.394 1.833 -4.862 1.00 24.04 O ATOM 1406 CB ILE A 88 -3.819 0.162 -3.816 1.00 14.23 C ATOM 1407 CG1 ILE A 88 -3.329 -1.093 -3.092 1.00 44.12 C ATOM 1408 CG2 ILE A 88 -4.123 1.270 -2.819 1.00 73.42 C ATOM 1409 CD1 ILE A 88 -1.957 -0.937 -2.475 1.00 62.40 C ATOM 0 H ILE A 88 -3.821 -1.338 -5.865 1.00 54.42 H new ATOM 0 HA ILE A 88 -5.860 -0.515 -3.999 1.00 62.53 H new ATOM 0 HB ILE A 88 -3.028 0.506 -4.483 1.00 14.23 H new ATOM 0 HG12 ILE A 88 -4.043 -1.354 -2.310 1.00 44.12 H new ATOM 0 HG13 ILE A 88 -3.309 -1.925 -3.796 1.00 44.12 H new ATOM 0 HG21 ILE A 88 -3.231 1.486 -2.231 1.00 73.42 H new ATOM 0 HG22 ILE A 88 -4.430 2.168 -3.355 1.00 73.42 H new ATOM 0 HG23 ILE A 88 -4.927 0.952 -2.155 1.00 73.42 H new ATOM 0 HD11 ILE A 88 -1.674 -1.865 -1.979 1.00 62.40 H new ATOM 0 HD12 ILE A 88 -1.231 -0.707 -3.255 1.00 62.40 H new ATOM 0 HD13 ILE A 88 -1.976 -0.127 -1.746 1.00 62.40 H new ATOM 1421 N HIS A 89 -4.956 1.376 -6.532 1.00 73.43 N ATOM 1422 CA HIS A 89 -5.311 2.559 -7.310 1.00 34.42 C ATOM 1423 C HIS A 89 -6.496 2.267 -8.227 1.00 44.33 C ATOM 1424 O HIS A 89 -7.128 3.231 -8.658 1.00 20.01 O ATOM 1425 CB HIS A 89 -4.115 3.031 -8.137 1.00 33.11 C ATOM 1426 CG HIS A 89 -2.905 3.344 -7.312 1.00 13.52 C ATOM 1427 ND1 HIS A 89 -2.918 4.245 -6.268 1.00 60.43 N ATOM 1428 CD2 HIS A 89 -1.639 2.872 -7.383 1.00 63.41 C ATOM 1429 CE1 HIS A 89 -1.712 4.312 -5.733 1.00 24.40 C ATOM 1430 NE2 HIS A 89 -0.917 3.486 -6.391 1.00 11.52 N ATOM 0 H HIS A 89 -4.242 0.788 -6.962 1.00 73.43 H new ATOM 0 HA HIS A 89 -5.595 3.350 -6.616 1.00 34.42 H new ATOM 0 HB2 HIS A 89 -3.860 2.261 -8.865 1.00 33.11 H new ATOM 0 HB3 HIS A 89 -4.401 3.919 -8.700 1.00 33.11 H new ATOM 0 HD1 HIS A 89 -3.731 4.776 -5.958 1.00 60.43 H new ATOM 0 HD2 HIS A 89 -1.266 2.146 -8.090 1.00 63.41 H new ATOM 0 HE1 HIS A 89 -1.424 4.936 -4.900 1.00 24.40 H new ATOM 1438 N ALA A 90 -6.802 1.009 -8.527 1.00 44.44 N ATOM 1439 CA ALA A 90 -7.924 0.683 -9.398 1.00 60.44 C ATOM 1440 C ALA A 90 -9.206 0.492 -8.594 1.00 1.25 C ATOM 1441 O ALA A 90 -10.211 0.011 -9.116 1.00 23.11 O ATOM 1442 CB ALA A 90 -7.617 -0.568 -10.208 1.00 70.25 C ATOM 0 H ALA A 90 -6.288 0.199 -8.180 1.00 44.44 H new ATOM 0 HA ALA A 90 -8.075 1.518 -10.082 1.00 60.44 H new ATOM 0 HB1 ALA A 90 -8.464 -0.800 -10.854 1.00 70.25 H new ATOM 0 HB2 ALA A 90 -6.730 -0.398 -10.819 1.00 70.25 H new ATOM 0 HB3 ALA A 90 -7.437 -1.404 -9.532 1.00 70.25 H new ATOM 1448 N GLU A 91 -9.162 0.874 -7.320 1.00 71.33 N ATOM 1449 CA GLU A 91 -10.320 0.743 -6.445 1.00 25.52 C ATOM 1450 C GLU A 91 -10.710 -0.723 -6.272 1.00 4.34 C ATOM 1451 O GLU A 91 -11.817 -1.033 -5.837 1.00 23.35 O ATOM 1452 CB GLU A 91 -11.504 1.533 -7.006 1.00 44.21 C ATOM 1453 CG GLU A 91 -11.160 2.968 -7.368 1.00 14.52 C ATOM 1454 CD GLU A 91 -11.134 3.202 -8.866 1.00 20.10 C ATOM 1455 OE1 GLU A 91 -12.130 2.858 -9.537 1.00 33.05 O ATOM 1456 OE2 GLU A 91 -10.119 3.728 -9.368 1.00 61.30 O ATOM 0 H GLU A 91 -8.338 1.276 -6.873 1.00 71.33 H new ATOM 0 HA GLU A 91 -10.052 1.148 -5.469 1.00 25.52 H new ATOM 0 HB2 GLU A 91 -11.882 1.024 -7.892 1.00 44.21 H new ATOM 0 HB3 GLU A 91 -12.309 1.535 -6.272 1.00 44.21 H new ATOM 0 HG2 GLU A 91 -11.889 3.638 -6.912 1.00 14.52 H new ATOM 0 HG3 GLU A 91 -10.187 3.221 -6.948 1.00 14.52 H new ATOM 1463 N GLU A 92 -9.789 -1.618 -6.618 1.00 72.24 N ATOM 1464 CA GLU A 92 -10.036 -3.050 -6.503 1.00 73.53 C ATOM 1465 C GLU A 92 -9.756 -3.538 -5.085 1.00 20.54 C ATOM 1466 O GLU A 92 -8.769 -3.145 -4.464 1.00 61.05 O ATOM 1467 CB GLU A 92 -9.171 -3.822 -7.501 1.00 70.10 C ATOM 1468 CG GLU A 92 -9.581 -3.617 -8.950 1.00 31.24 C ATOM 1469 CD GLU A 92 -10.603 -4.636 -9.416 1.00 23.22 C ATOM 1470 OE1 GLU A 92 -11.404 -5.100 -8.578 1.00 21.23 O ATOM 1471 OE2 GLU A 92 -10.601 -4.969 -10.620 1.00 13.14 O ATOM 0 H GLU A 92 -8.866 -1.376 -6.980 1.00 72.24 H new ATOM 0 HA GLU A 92 -11.087 -3.231 -6.730 1.00 73.53 H new ATOM 0 HB2 GLU A 92 -8.132 -3.517 -7.380 1.00 70.10 H new ATOM 0 HB3 GLU A 92 -9.221 -4.885 -7.265 1.00 70.10 H new ATOM 0 HG2 GLU A 92 -9.992 -2.615 -9.069 1.00 31.24 H new ATOM 0 HG3 GLU A 92 -8.698 -3.677 -9.586 1.00 31.24 H new ATOM 1478 N LYS A 93 -10.632 -4.399 -4.577 1.00 73.52 N ATOM 1479 CA LYS A 93 -10.480 -4.943 -3.233 1.00 71.23 C ATOM 1480 C LYS A 93 -10.017 -6.396 -3.283 1.00 34.13 C ATOM 1481 O LYS A 93 -10.645 -7.236 -3.927 1.00 74.32 O ATOM 1482 CB LYS A 93 -11.803 -4.844 -2.469 1.00 24.15 C ATOM 1483 CG LYS A 93 -12.489 -3.498 -2.612 1.00 13.42 C ATOM 1484 CD LYS A 93 -13.641 -3.562 -3.601 1.00 12.10 C ATOM 1485 CE LYS A 93 -14.812 -4.357 -3.044 1.00 4.44 C ATOM 1486 NZ LYS A 93 -15.463 -3.657 -1.902 1.00 71.34 N ATOM 0 H LYS A 93 -11.455 -4.735 -5.077 1.00 73.52 H new ATOM 0 HA LYS A 93 -9.722 -4.357 -2.714 1.00 71.23 H new ATOM 0 HB2 LYS A 93 -12.476 -5.625 -2.823 1.00 24.15 H new ATOM 0 HB3 LYS A 93 -11.618 -5.037 -1.412 1.00 24.15 H new ATOM 0 HG2 LYS A 93 -12.860 -3.173 -1.640 1.00 13.42 H new ATOM 0 HG3 LYS A 93 -11.765 -2.753 -2.943 1.00 13.42 H new ATOM 0 HD2 LYS A 93 -13.969 -2.551 -3.844 1.00 12.10 H new ATOM 0 HD3 LYS A 93 -13.299 -4.019 -4.530 1.00 12.10 H new ATOM 0 HE2 LYS A 93 -15.545 -4.525 -3.833 1.00 4.44 H new ATOM 0 HE3 LYS A 93 -14.464 -5.337 -2.719 1.00 4.44 H new ATOM 0 HZ1 LYS A 93 -16.398 -4.076 -1.725 1.00 71.34 H new ATOM 0 HZ2 LYS A 93 -14.873 -3.756 -1.052 1.00 71.34 H new ATOM 0 HZ3 LYS A 93 -15.574 -2.648 -2.131 1.00 71.34 H new ATOM 1500 N VAL A 94 -8.915 -6.685 -2.599 1.00 14.03 N ATOM 1501 CA VAL A 94 -8.370 -8.036 -2.563 1.00 4.41 C ATOM 1502 C VAL A 94 -8.051 -8.463 -1.135 1.00 24.44 C ATOM 1503 O VAL A 94 -7.414 -7.726 -0.382 1.00 4.21 O ATOM 1504 CB VAL A 94 -7.092 -8.149 -3.417 1.00 71.20 C ATOM 1505 CG1 VAL A 94 -7.396 -7.838 -4.875 1.00 24.24 C ATOM 1506 CG2 VAL A 94 -6.010 -7.224 -2.880 1.00 74.01 C ATOM 0 H VAL A 94 -8.382 -6.001 -2.062 1.00 14.03 H new ATOM 0 HA VAL A 94 -9.134 -8.696 -2.975 1.00 4.41 H new ATOM 0 HB VAL A 94 -6.724 -9.173 -3.358 1.00 71.20 H new ATOM 0 HG11 VAL A 94 -6.482 -7.923 -5.463 1.00 24.24 H new ATOM 0 HG12 VAL A 94 -8.136 -8.544 -5.251 1.00 24.24 H new ATOM 0 HG13 VAL A 94 -7.788 -6.824 -4.957 1.00 24.24 H new ATOM 0 HG21 VAL A 94 -5.114 -7.316 -3.495 1.00 74.01 H new ATOM 0 HG22 VAL A 94 -6.365 -6.194 -2.908 1.00 74.01 H new ATOM 0 HG23 VAL A 94 -5.774 -7.498 -1.852 1.00 74.01 H new ATOM 1516 N LYS A 95 -8.499 -9.659 -0.766 1.00 33.04 N ATOM 1517 CA LYS A 95 -8.262 -10.186 0.572 1.00 65.31 C ATOM 1518 C LYS A 95 -6.812 -10.632 0.732 1.00 41.32 C ATOM 1519 O LYS A 95 -6.182 -10.374 1.758 1.00 52.54 O ATOM 1520 CB LYS A 95 -9.201 -11.361 0.853 1.00 3.15 C ATOM 1521 CG LYS A 95 -10.369 -11.004 1.757 1.00 4.10 C ATOM 1522 CD LYS A 95 -11.085 -12.246 2.260 1.00 0.32 C ATOM 1523 CE LYS A 95 -11.288 -12.199 3.767 1.00 73.52 C ATOM 1524 NZ LYS A 95 -12.425 -11.316 4.146 1.00 34.35 N ATOM 0 H LYS A 95 -9.029 -10.282 -1.376 1.00 33.04 H new ATOM 0 HA LYS A 95 -8.461 -9.390 1.289 1.00 65.31 H new ATOM 0 HB2 LYS A 95 -9.587 -11.741 -0.093 1.00 3.15 H new ATOM 0 HB3 LYS A 95 -8.631 -12.169 1.312 1.00 3.15 H new ATOM 0 HG2 LYS A 95 -10.009 -10.422 2.605 1.00 4.10 H new ATOM 0 HG3 LYS A 95 -11.072 -10.373 1.213 1.00 4.10 H new ATOM 0 HD2 LYS A 95 -12.051 -12.336 1.764 1.00 0.32 H new ATOM 0 HD3 LYS A 95 -10.508 -13.132 1.997 1.00 0.32 H new ATOM 0 HE2 LYS A 95 -11.471 -13.207 4.140 1.00 73.52 H new ATOM 0 HE3 LYS A 95 -10.376 -11.842 4.245 1.00 73.52 H new ATOM 0 HZ1 LYS A 95 -12.531 -11.311 5.181 1.00 34.35 H new ATOM 0 HZ2 LYS A 95 -12.240 -10.349 3.812 1.00 34.35 H new ATOM 0 HZ3 LYS A 95 -13.300 -11.671 3.710 1.00 34.35 H new ATOM 1538 N ASP A 96 -6.287 -11.301 -0.290 1.00 15.55 N ATOM 1539 CA ASP A 96 -4.910 -11.779 -0.264 1.00 13.34 C ATOM 1540 C ASP A 96 -4.187 -11.424 -1.558 1.00 43.25 C ATOM 1541 O ASP A 96 -4.728 -10.720 -2.412 1.00 62.54 O ATOM 1542 CB ASP A 96 -4.878 -13.293 -0.046 1.00 30.04 C ATOM 1543 CG ASP A 96 -5.756 -14.038 -1.030 1.00 61.43 C ATOM 1544 OD1 ASP A 96 -5.703 -13.716 -2.236 1.00 13.25 O ATOM 1545 OD2 ASP A 96 -6.496 -14.945 -0.596 1.00 12.22 O ATOM 0 H ASP A 96 -6.795 -11.524 -1.146 1.00 15.55 H new ATOM 0 HA ASP A 96 -4.397 -11.289 0.563 1.00 13.34 H new ATOM 0 HB2 ASP A 96 -3.852 -13.649 -0.138 1.00 30.04 H new ATOM 0 HB3 ASP A 96 -5.204 -13.518 0.970 1.00 30.04 H new ATOM 1550 N THR A 97 -2.958 -11.914 -1.698 1.00 13.31 N ATOM 1551 CA THR A 97 -2.160 -11.646 -2.887 1.00 44.34 C ATOM 1552 C THR A 97 -2.556 -12.567 -4.035 1.00 21.24 C ATOM 1553 O THR A 97 -2.628 -12.142 -5.188 1.00 22.14 O ATOM 1554 CB THR A 97 -0.655 -11.817 -2.604 1.00 24.11 C ATOM 1555 OG1 THR A 97 -0.234 -10.878 -1.607 1.00 74.10 O ATOM 1556 CG2 THR A 97 0.161 -11.617 -3.872 1.00 23.01 C ATOM 0 H THR A 97 -2.495 -12.498 -1.002 1.00 13.31 H new ATOM 0 HA THR A 97 -2.355 -10.612 -3.171 1.00 44.34 H new ATOM 0 HB THR A 97 -0.490 -12.831 -2.241 1.00 24.11 H new ATOM 0 HG1 THR A 97 -0.924 -10.805 -0.915 1.00 74.10 H new ATOM 0 HG21 THR A 97 1.220 -11.743 -3.647 1.00 23.01 H new ATOM 0 HG22 THR A 97 -0.141 -12.352 -4.619 1.00 23.01 H new ATOM 0 HG23 THR A 97 -0.011 -10.613 -4.261 1.00 23.01 H new ATOM 1564 N GLU A 98 -2.813 -13.831 -3.712 1.00 23.10 N ATOM 1565 CA GLU A 98 -3.202 -14.813 -4.717 1.00 12.11 C ATOM 1566 C GLU A 98 -4.369 -14.298 -5.555 1.00 53.31 C ATOM 1567 O GLU A 98 -4.481 -14.608 -6.741 1.00 10.42 O ATOM 1568 CB GLU A 98 -3.584 -16.135 -4.050 1.00 70.12 C ATOM 1569 CG GLU A 98 -2.778 -17.324 -4.550 1.00 11.42 C ATOM 1570 CD GLU A 98 -1.283 -17.069 -4.515 1.00 63.44 C ATOM 1571 OE1 GLU A 98 -0.837 -16.268 -3.669 1.00 34.04 O ATOM 1572 OE2 GLU A 98 -0.559 -17.673 -5.334 1.00 74.55 O ATOM 0 H GLU A 98 -2.759 -14.199 -2.762 1.00 23.10 H new ATOM 0 HA GLU A 98 -2.349 -14.980 -5.375 1.00 12.11 H new ATOM 0 HB2 GLU A 98 -3.448 -16.042 -2.973 1.00 70.12 H new ATOM 0 HB3 GLU A 98 -4.643 -16.326 -4.222 1.00 70.12 H new ATOM 0 HG2 GLU A 98 -3.009 -18.197 -3.940 1.00 11.42 H new ATOM 0 HG3 GLU A 98 -3.079 -17.560 -5.571 1.00 11.42 H new ATOM 1579 N GLY A 99 -5.239 -13.510 -4.929 1.00 40.31 N ATOM 1580 CA GLY A 99 -6.386 -12.966 -5.631 1.00 52.42 C ATOM 1581 C GLY A 99 -6.029 -11.760 -6.479 1.00 1.03 C ATOM 1582 O GLY A 99 -6.567 -11.579 -7.571 1.00 64.53 O ATOM 0 H GLY A 99 -5.169 -13.239 -3.948 1.00 40.31 H new ATOM 0 HA2 GLY A 99 -6.819 -13.738 -6.267 1.00 52.42 H new ATOM 0 HA3 GLY A 99 -7.151 -12.684 -4.907 1.00 52.42 H new ATOM 1586 N ALA A 100 -5.121 -10.931 -5.973 1.00 63.50 N ATOM 1587 CA ALA A 100 -4.693 -9.738 -6.691 1.00 74.14 C ATOM 1588 C ALA A 100 -3.986 -10.103 -7.992 1.00 12.40 C ATOM 1589 O ALA A 100 -4.234 -9.499 -9.036 1.00 41.41 O ATOM 1590 CB ALA A 100 -3.782 -8.893 -5.813 1.00 13.51 C ATOM 0 H ALA A 100 -4.668 -11.064 -5.069 1.00 63.50 H new ATOM 0 HA ALA A 100 -5.581 -9.157 -6.941 1.00 74.14 H new ATOM 0 HB1 ALA A 100 -3.469 -8.005 -6.362 1.00 13.51 H new ATOM 0 HB2 ALA A 100 -4.319 -8.593 -4.913 1.00 13.51 H new ATOM 0 HB3 ALA A 100 -2.904 -9.475 -5.534 1.00 13.51 H new ATOM 1596 N LYS A 101 -3.106 -11.095 -7.923 1.00 4.51 N ATOM 1597 CA LYS A 101 -2.362 -11.542 -9.095 1.00 75.02 C ATOM 1598 C LYS A 101 -3.310 -12.024 -10.189 1.00 31.24 C ATOM 1599 O LYS A 101 -2.971 -11.999 -11.371 1.00 64.44 O ATOM 1600 CB LYS A 101 -1.394 -12.663 -8.714 1.00 4.03 C ATOM 1601 CG LYS A 101 -0.034 -12.164 -8.258 1.00 61.25 C ATOM 1602 CD LYS A 101 0.878 -13.313 -7.859 1.00 54.40 C ATOM 1603 CE LYS A 101 1.370 -14.082 -9.076 1.00 11.11 C ATOM 1604 NZ LYS A 101 2.313 -15.171 -8.698 1.00 40.13 N ATOM 0 H LYS A 101 -2.890 -11.606 -7.067 1.00 4.51 H new ATOM 0 HA LYS A 101 -1.793 -10.695 -9.478 1.00 75.02 H new ATOM 0 HB2 LYS A 101 -1.838 -13.260 -7.918 1.00 4.03 H new ATOM 0 HB3 LYS A 101 -1.261 -13.323 -9.571 1.00 4.03 H new ATOM 0 HG2 LYS A 101 0.431 -11.591 -9.060 1.00 61.25 H new ATOM 0 HG3 LYS A 101 -0.159 -11.487 -7.413 1.00 61.25 H new ATOM 0 HD2 LYS A 101 1.731 -12.925 -7.303 1.00 54.40 H new ATOM 0 HD3 LYS A 101 0.343 -13.989 -7.192 1.00 54.40 H new ATOM 0 HE2 LYS A 101 0.518 -14.507 -9.606 1.00 11.11 H new ATOM 0 HE3 LYS A 101 1.864 -13.396 -9.764 1.00 11.11 H new ATOM 0 HZ1 LYS A 101 2.626 -15.672 -9.554 1.00 40.13 H new ATOM 0 HZ2 LYS A 101 3.138 -14.763 -8.214 1.00 40.13 H new ATOM 0 HZ3 LYS A 101 1.834 -15.840 -8.061 1.00 40.13 H new ATOM 1618 N GLN A 102 -4.499 -12.461 -9.786 1.00 3.15 N ATOM 1619 CA GLN A 102 -5.494 -12.948 -10.732 1.00 35.21 C ATOM 1620 C GLN A 102 -6.220 -11.787 -11.405 1.00 61.41 C ATOM 1621 O GLN A 102 -6.458 -11.809 -12.613 1.00 72.52 O ATOM 1622 CB GLN A 102 -6.504 -13.853 -10.022 1.00 30.21 C ATOM 1623 CG GLN A 102 -6.643 -15.226 -10.660 1.00 34.34 C ATOM 1624 CD GLN A 102 -5.651 -16.229 -10.107 1.00 60.02 C ATOM 1625 OE1 GLN A 102 -4.443 -16.100 -10.307 1.00 70.15 O ATOM 1626 NE2 GLN A 102 -6.156 -17.237 -9.405 1.00 3.12 N ATOM 0 H GLN A 102 -4.796 -12.487 -8.811 1.00 3.15 H new ATOM 0 HA GLN A 102 -4.977 -13.524 -11.500 1.00 35.21 H new ATOM 0 HB2 GLN A 102 -6.203 -13.974 -8.981 1.00 30.21 H new ATOM 0 HB3 GLN A 102 -7.478 -13.363 -10.017 1.00 30.21 H new ATOM 0 HG2 GLN A 102 -7.656 -15.596 -10.500 1.00 34.34 H new ATOM 0 HG3 GLN A 102 -6.503 -15.138 -11.737 1.00 34.34 H new ATOM 0 HE21 GLN A 102 -7.164 -17.305 -9.263 1.00 3.12 H new ATOM 0 HE22 GLN A 102 -5.536 -17.943 -9.007 1.00 3.12 H new ATOM 1635 N ILE A 103 -6.567 -10.777 -10.616 1.00 54.30 N ATOM 1636 CA ILE A 103 -7.264 -9.607 -11.136 1.00 40.22 C ATOM 1637 C ILE A 103 -6.374 -8.815 -12.087 1.00 12.41 C ATOM 1638 O ILE A 103 -6.794 -8.443 -13.184 1.00 23.05 O ATOM 1639 CB ILE A 103 -7.735 -8.681 -10.000 1.00 52.32 C ATOM 1640 CG1 ILE A 103 -8.665 -9.436 -9.048 1.00 3.33 C ATOM 1641 CG2 ILE A 103 -8.434 -7.456 -10.570 1.00 53.33 C ATOM 1642 CD1 ILE A 103 -9.151 -8.598 -7.886 1.00 23.32 C ATOM 0 H ILE A 103 -6.377 -10.745 -9.614 1.00 54.30 H new ATOM 0 HA ILE A 103 -8.135 -9.974 -11.679 1.00 40.22 H new ATOM 0 HB ILE A 103 -6.862 -8.349 -9.438 1.00 52.32 H new ATOM 0 HG12 ILE A 103 -9.526 -9.801 -9.608 1.00 3.33 H new ATOM 0 HG13 ILE A 103 -8.143 -10.311 -8.661 1.00 3.33 H new ATOM 0 HG21 ILE A 103 -8.761 -6.811 -9.754 1.00 53.33 H new ATOM 0 HG22 ILE A 103 -7.743 -6.908 -11.211 1.00 53.33 H new ATOM 0 HG23 ILE A 103 -9.299 -7.770 -11.154 1.00 53.33 H new ATOM 0 HD11 ILE A 103 -9.805 -9.198 -7.253 1.00 23.32 H new ATOM 0 HD12 ILE A 103 -8.297 -8.255 -7.302 1.00 23.32 H new ATOM 0 HD13 ILE A 103 -9.702 -7.737 -8.264 1.00 23.32 H new ATOM 1654 N VAL A 104 -5.141 -8.559 -11.660 1.00 63.14 N ATOM 1655 CA VAL A 104 -4.189 -7.813 -12.475 1.00 61.45 C ATOM 1656 C VAL A 104 -3.859 -8.565 -13.760 1.00 5.10 C ATOM 1657 O VAL A 104 -3.973 -8.019 -14.857 1.00 42.32 O ATOM 1658 CB VAL A 104 -2.885 -7.538 -11.704 1.00 1.11 C ATOM 1659 CG1 VAL A 104 -1.894 -6.789 -12.581 1.00 4.21 C ATOM 1660 CG2 VAL A 104 -3.174 -6.761 -10.429 1.00 33.43 C ATOM 0 H VAL A 104 -4.778 -8.857 -10.755 1.00 63.14 H new ATOM 0 HA VAL A 104 -4.661 -6.863 -12.725 1.00 61.45 H new ATOM 0 HB VAL A 104 -2.439 -8.493 -11.427 1.00 1.11 H new ATOM 0 HG11 VAL A 104 -0.979 -6.604 -12.019 1.00 4.21 H new ATOM 0 HG12 VAL A 104 -1.664 -7.387 -13.463 1.00 4.21 H new ATOM 0 HG13 VAL A 104 -2.328 -5.839 -12.891 1.00 4.21 H new ATOM 0 HG21 VAL A 104 -2.241 -6.575 -9.897 1.00 33.43 H new ATOM 0 HG22 VAL A 104 -3.643 -5.810 -10.681 1.00 33.43 H new ATOM 0 HG23 VAL A 104 -3.845 -7.340 -9.794 1.00 33.43 H new ATOM 1670 N ARG A 105 -3.448 -9.821 -13.616 1.00 2.42 N ATOM 1671 CA ARG A 105 -3.099 -10.647 -14.765 1.00 52.20 C ATOM 1672 C ARG A 105 -4.237 -10.673 -15.781 1.00 31.51 C ATOM 1673 O ARG A 105 -4.032 -10.403 -16.964 1.00 41.02 O ATOM 1674 CB ARG A 105 -2.769 -12.072 -14.315 1.00 14.12 C ATOM 1675 CG ARG A 105 -2.281 -12.969 -15.440 1.00 33.42 C ATOM 1676 CD ARG A 105 -1.506 -14.162 -14.904 1.00 41.11 C ATOM 1677 NE ARG A 105 -2.311 -15.382 -14.902 1.00 42.43 N ATOM 1678 CZ ARG A 105 -2.550 -16.105 -15.991 1.00 11.14 C ATOM 1679 NH1 ARG A 105 -2.049 -15.734 -17.161 1.00 24.52 N ATOM 1680 NH2 ARG A 105 -3.291 -17.203 -15.909 1.00 4.42 N ATOM 0 H ARG A 105 -3.349 -10.288 -12.715 1.00 2.42 H new ATOM 0 HA ARG A 105 -2.220 -10.211 -15.241 1.00 52.20 H new ATOM 0 HB2 ARG A 105 -2.006 -12.031 -13.538 1.00 14.12 H new ATOM 0 HB3 ARG A 105 -3.657 -12.517 -13.866 1.00 14.12 H new ATOM 0 HG2 ARG A 105 -3.133 -13.319 -16.023 1.00 33.42 H new ATOM 0 HG3 ARG A 105 -1.647 -12.395 -16.115 1.00 33.42 H new ATOM 0 HD2 ARG A 105 -0.614 -14.317 -15.511 1.00 41.11 H new ATOM 0 HD3 ARG A 105 -1.168 -13.949 -13.890 1.00 41.11 H new ATOM 0 HE ARG A 105 -2.711 -15.695 -14.017 1.00 42.43 H new ATOM 0 HH11 ARG A 105 -1.478 -14.891 -17.227 1.00 24.52 H new ATOM 0 HH12 ARG A 105 -2.234 -16.291 -17.995 1.00 24.52 H new ATOM 0 HH21 ARG A 105 -3.677 -17.492 -15.010 1.00 4.42 H new ATOM 0 HH22 ARG A 105 -3.475 -17.758 -16.745 1.00 4.42 H new ATOM 1694 N ARG A 106 -5.436 -11.002 -15.310 1.00 13.11 N ATOM 1695 CA ARG A 106 -6.606 -11.065 -16.178 1.00 33.14 C ATOM 1696 C ARG A 106 -6.794 -9.753 -16.934 1.00 42.13 C ATOM 1697 O ARG A 106 -6.971 -9.747 -18.153 1.00 34.45 O ATOM 1698 CB ARG A 106 -7.859 -11.376 -15.357 1.00 22.42 C ATOM 1699 CG ARG A 106 -8.173 -12.861 -15.265 1.00 73.02 C ATOM 1700 CD ARG A 106 -9.510 -13.106 -14.583 1.00 23.05 C ATOM 1701 NE ARG A 106 -10.132 -14.350 -15.028 1.00 21.45 N ATOM 1702 CZ ARG A 106 -10.610 -14.535 -16.253 1.00 31.20 C ATOM 1703 NH1 ARG A 106 -10.538 -13.562 -17.151 1.00 4.01 N ATOM 1704 NH2 ARG A 106 -11.161 -15.697 -16.583 1.00 11.32 N ATOM 0 H ARG A 106 -5.622 -11.229 -14.333 1.00 13.11 H new ATOM 0 HA ARG A 106 -6.447 -11.863 -16.903 1.00 33.14 H new ATOM 0 HB2 ARG A 106 -7.732 -10.977 -14.351 1.00 22.42 H new ATOM 0 HB3 ARG A 106 -8.711 -10.860 -15.800 1.00 22.42 H new ATOM 0 HG2 ARG A 106 -8.189 -13.293 -16.265 1.00 73.02 H new ATOM 0 HG3 ARG A 106 -7.383 -13.368 -14.711 1.00 73.02 H new ATOM 0 HD2 ARG A 106 -9.365 -13.139 -13.503 1.00 23.05 H new ATOM 0 HD3 ARG A 106 -10.180 -12.272 -14.789 1.00 23.05 H new ATOM 0 HE ARG A 106 -10.203 -15.119 -14.361 1.00 21.45 H new ATOM 0 HH11 ARG A 106 -10.114 -12.668 -16.902 1.00 4.01 H new ATOM 0 HH12 ARG A 106 -10.906 -13.707 -18.091 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -11.217 -16.448 -15.895 1.00 11.32 H new ATOM 0 HH22 ARG A 106 -11.528 -15.838 -17.524 1.00 11.32 H new ATOM 1718 N HIS A 107 -6.753 -8.644 -16.204 1.00 13.32 N ATOM 1719 CA HIS A 107 -6.918 -7.325 -16.805 1.00 54.43 C ATOM 1720 C HIS A 107 -5.872 -7.088 -17.890 1.00 45.15 C ATOM 1721 O HIS A 107 -6.191 -6.372 -18.840 1.00 63.03 O ATOM 1722 CB HIS A 107 -6.817 -6.236 -15.737 1.00 11.23 C ATOM 1723 CG HIS A 107 -8.032 -6.136 -14.867 1.00 51.44 C ATOM 1724 ND1 HIS A 107 -9.313 -6.332 -15.338 1.00 60.34 N ATOM 1725 CD2 HIS A 107 -8.157 -5.857 -13.549 1.00 1.13 C ATOM 1726 CE1 HIS A 107 -10.172 -6.179 -14.346 1.00 41.04 C ATOM 1727 NE2 HIS A 107 -9.495 -5.891 -13.249 1.00 54.45 N ATOM 0 H HIS A 107 -6.607 -8.632 -15.195 1.00 13.32 H new ATOM 0 HA HIS A 107 -7.907 -7.283 -17.262 1.00 54.43 H new ATOM 0 HB2 HIS A 107 -5.947 -6.432 -15.111 1.00 11.23 H new ATOM 0 HB3 HIS A 107 -6.649 -5.275 -16.224 1.00 11.23 H new ATOM 0 HD2 HIS A 107 -7.352 -5.646 -12.860 1.00 1.13 H new ATOM 0 HE1 HIS A 107 -11.245 -6.273 -14.420 1.00 41.04 H new ATOM 0 HE2 HIS A 107 -9.901 -5.722 -12.329 1.00 54.45 H new ATOM 1735 N LEU A 108 -4.673 -7.650 -17.780 1.00 24.42 N ATOM 1736 CA LEU A 108 -3.640 -7.453 -18.791 1.00 63.22 C ATOM 1737 C LEU A 108 -3.808 -8.441 -19.941 1.00 5.12 C ATOM 1738 O LEU A 108 -3.565 -8.108 -21.101 1.00 14.40 O ATOM 1739 CB LEU A 108 -2.251 -7.611 -18.168 1.00 54.52 C ATOM 1740 CG LEU A 108 -1.977 -6.768 -16.921 1.00 45.34 C ATOM 1741 CD1 LEU A 108 -0.963 -7.460 -16.023 1.00 34.31 C ATOM 1742 CD2 LEU A 108 -1.485 -5.382 -17.313 1.00 32.35 C ATOM 0 H LEU A 108 -4.392 -8.246 -17.001 1.00 24.42 H new ATOM 0 HA LEU A 108 -3.742 -6.442 -19.186 1.00 63.22 H new ATOM 0 HB2 LEU A 108 -2.106 -8.661 -17.912 1.00 54.52 H new ATOM 0 HB3 LEU A 108 -1.505 -7.361 -18.923 1.00 54.52 H new ATOM 0 HG LEU A 108 -2.909 -6.658 -16.367 1.00 45.34 H new ATOM 0 HD11 LEU A 108 -0.780 -6.847 -15.141 1.00 34.31 H new ATOM 0 HD12 LEU A 108 -1.352 -8.431 -15.716 1.00 34.31 H new ATOM 0 HD13 LEU A 108 -0.029 -7.599 -16.568 1.00 34.31 H new ATOM 0 HD21 LEU A 108 -1.295 -4.796 -16.414 1.00 32.35 H new ATOM 0 HD22 LEU A 108 -0.564 -5.472 -17.889 1.00 32.35 H new ATOM 0 HD23 LEU A 108 -2.243 -4.884 -17.917 1.00 32.35 H new