USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 150:sc= 0.574 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 0.532 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.111 (180deg=-0.648) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -8! C(o=-8!,f=-8.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.0117 (180deg=-0.169) USER MOD Single : A 40 THR OG1 : rot 86:sc= 1.01 USER MOD Single : A 41 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.89) USER MOD Single : A 46 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 49 ASN : amide:sc=-0.00516 X(o=-0.0052,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00758 X(o=-0.0076,f=-0.0076) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.47 F(o=-4.1!,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= -3.31! C(o=-3.3!,f=-7.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc=0.000189 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD Single : A 74 THR OG1 : rot 148:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.305 -12.845 10.990 1.00 0.00 N ATOM 160 CA LEU A 14 2.203 -12.546 9.566 1.00 0.00 C ATOM 161 C LEU A 14 1.174 -11.449 9.312 1.00 0.00 C ATOM 162 O LEU A 14 1.420 -10.520 8.543 1.00 0.00 O ATOM 163 CB LEU A 14 1.823 -13.806 8.786 1.00 0.00 C ATOM 164 CG LEU A 14 2.849 -14.940 8.803 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.204 -16.250 8.377 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.028 -14.606 7.902 1.00 0.00 C ATOM 0 HA LEU A 14 3.176 -12.193 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.883 -14.187 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.638 -13.525 7.749 1.00 0.00 H new ATOM 0 HG LEU A 14 3.218 -15.055 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.949 -17.045 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.394 -16.496 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.806 -16.148 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.748 -15.424 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.676 -14.463 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.506 -13.691 8.253 1.00 0.00 H new ATOM 178 N ARG A 15 0.022 -11.562 9.964 1.00 0.00 N ATOM 179 CA ARG A 15 -1.044 -10.579 9.810 1.00 0.00 C ATOM 180 C ARG A 15 -0.654 -9.251 10.452 1.00 0.00 C ATOM 181 O ARG A 15 -1.110 -8.189 10.028 1.00 0.00 O ATOM 182 CB ARG A 15 -2.340 -11.099 10.434 1.00 0.00 C ATOM 183 CG ARG A 15 -2.226 -11.388 11.922 1.00 0.00 C ATOM 184 CD ARG A 15 -3.558 -11.840 12.505 1.00 0.00 C ATOM 185 NE ARG A 15 -4.618 -10.865 12.266 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.910 -11.136 12.407 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.300 -12.347 12.784 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.817 -10.197 12.172 1.00 0.00 N ATOM 0 H ARG A 15 -0.197 -12.325 10.604 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.203 -10.415 8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.130 -10.365 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.642 -12.010 9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.474 -12.160 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.884 -10.493 12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.840 -12.797 12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.448 -12.001 13.577 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.351 -9.924 11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.606 -13.072 12.966 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.293 -12.552 12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.522 -9.264 11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.809 -10.408 12.281 1.00 0.00 H new ATOM 202 N SER A 16 0.189 -9.319 11.476 1.00 0.00 N ATOM 203 CA SER A 16 0.637 -8.122 12.179 1.00 0.00 C ATOM 204 C SER A 16 1.882 -7.537 11.518 1.00 0.00 C ATOM 205 O SER A 16 2.713 -6.912 12.178 1.00 0.00 O ATOM 206 CB SER A 16 0.928 -8.445 13.646 1.00 0.00 C ATOM 207 OG SER A 16 0.762 -7.299 14.463 1.00 0.00 O ATOM 0 H SER A 16 0.576 -10.190 11.838 1.00 0.00 H new ATOM 0 HA SER A 16 -0.161 -7.381 12.129 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.262 -9.238 13.986 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.946 -8.821 13.744 1.00 0.00 H new ATOM 0 HG SER A 16 0.952 -7.532 15.396 1.00 0.00 H new ATOM 213 N PHE A 17 2.003 -7.745 10.211 1.00 0.00 N ATOM 214 CA PHE A 17 3.147 -7.240 9.460 1.00 0.00 C ATOM 215 C PHE A 17 2.853 -5.856 8.889 1.00 0.00 C ATOM 216 O PHE A 17 1.878 -5.665 8.162 1.00 0.00 O ATOM 217 CB PHE A 17 3.508 -8.205 8.330 1.00 0.00 C ATOM 218 CG PHE A 17 4.209 -7.544 7.178 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.491 -6.834 6.228 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.586 -7.632 7.044 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.134 -6.226 5.167 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.233 -7.025 5.986 1.00 0.00 C ATOM 223 CZ PHE A 17 5.507 -6.320 5.046 1.00 0.00 C ATOM 0 H PHE A 17 1.324 -8.259 9.650 1.00 0.00 H new ATOM 0 HA PHE A 17 3.993 -7.160 10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.145 -8.995 8.727 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.598 -8.682 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.418 -6.755 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.159 -8.182 7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.563 -5.677 4.432 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.306 -7.101 5.893 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.011 -5.843 4.218 1.00 0.00 H new ATOM 233 N LYS A 18 3.705 -4.892 9.222 1.00 0.00 N ATOM 234 CA LYS A 18 3.540 -3.525 8.743 1.00 0.00 C ATOM 235 C LYS A 18 4.582 -3.191 7.680 1.00 0.00 C ATOM 236 O LYS A 18 5.780 -3.382 7.890 1.00 0.00 O ATOM 237 CB LYS A 18 3.649 -2.537 9.907 1.00 0.00 C ATOM 238 CG LYS A 18 4.018 -1.128 9.477 1.00 0.00 C ATOM 239 CD LYS A 18 4.066 -0.178 10.662 1.00 0.00 C ATOM 240 CE LYS A 18 4.944 1.030 10.372 1.00 0.00 C ATOM 241 NZ LYS A 18 6.366 0.644 10.157 1.00 0.00 N ATOM 0 H LYS A 18 4.517 -5.033 9.822 1.00 0.00 H new ATOM 0 HA LYS A 18 2.550 -3.441 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.698 -2.508 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.397 -2.900 10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.988 -1.141 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.292 -0.767 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.057 0.154 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.447 -0.705 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.570 1.546 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.880 1.733 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.982 1.451 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.606 -0.157 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.505 0.368 9.164 1.00 0.00 H new ATOM 255 N LEU A 19 4.118 -2.691 6.541 1.00 0.00 N ATOM 256 CA LEU A 19 5.010 -2.329 5.445 1.00 0.00 C ATOM 257 C LEU A 19 4.965 -0.827 5.179 1.00 0.00 C ATOM 258 O LEU A 19 3.963 -0.168 5.457 1.00 0.00 O ATOM 259 CB LEU A 19 4.630 -3.095 4.177 1.00 0.00 C ATOM 260 CG LEU A 19 5.344 -2.666 2.893 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.773 -3.184 2.879 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.583 -3.158 1.671 1.00 0.00 C ATOM 0 H LEU A 19 3.129 -2.527 6.352 1.00 0.00 H new ATOM 0 HA LEU A 19 6.026 -2.598 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.829 -4.154 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.556 -2.993 4.023 1.00 0.00 H new ATOM 0 HG LEU A 19 5.375 -1.577 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.265 -2.869 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.314 -2.782 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.766 -4.273 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.105 -2.844 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.521 -4.246 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.578 -2.737 1.675 1.00 0.00 H new ATOM 274 N SER A 20 6.055 -0.295 4.635 1.00 0.00 N ATOM 275 CA SER A 20 6.140 1.129 4.333 1.00 0.00 C ATOM 276 C SER A 20 6.668 1.354 2.920 1.00 0.00 C ATOM 277 O SER A 20 7.797 0.979 2.599 1.00 0.00 O ATOM 278 CB SER A 20 7.044 1.834 5.346 1.00 0.00 C ATOM 279 OG SER A 20 6.296 2.313 6.451 1.00 0.00 O ATOM 0 H SER A 20 6.891 -0.828 4.395 1.00 0.00 H new ATOM 0 HA SER A 20 5.136 1.549 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.812 1.144 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.558 2.665 4.863 1.00 0.00 H new ATOM 0 HG SER A 20 6.897 2.758 7.085 1.00 0.00 H new ATOM 285 N VAL A 21 5.844 1.967 2.076 1.00 0.00 N ATOM 286 CA VAL A 21 6.227 2.244 0.697 1.00 0.00 C ATOM 287 C VAL A 21 6.741 3.671 0.545 1.00 0.00 C ATOM 288 O VAL A 21 6.063 4.630 0.915 1.00 0.00 O ATOM 289 CB VAL A 21 5.045 2.029 -0.268 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.525 2.042 -1.711 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.327 0.728 0.053 1.00 0.00 C ATOM 0 H VAL A 21 4.906 2.281 2.324 1.00 0.00 H new ATOM 0 HA VAL A 21 7.025 1.546 0.444 1.00 0.00 H new ATOM 0 HB VAL A 21 4.338 2.849 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.677 1.889 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.991 3.003 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.252 1.244 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.495 0.592 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.022 -0.106 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.948 0.764 1.074 1.00 0.00 H new ATOM 301 N THR A 22 7.944 3.805 -0.005 1.00 0.00 N ATOM 302 CA THR A 22 8.550 5.116 -0.207 1.00 0.00 C ATOM 303 C THR A 22 8.024 5.775 -1.476 1.00 0.00 C ATOM 304 O THR A 22 8.509 5.504 -2.575 1.00 0.00 O ATOM 305 CB THR A 22 10.085 5.018 -0.290 1.00 0.00 C ATOM 306 OG1 THR A 22 10.572 4.100 0.695 1.00 0.00 O ATOM 307 CG2 THR A 22 10.727 6.381 -0.082 1.00 0.00 C ATOM 0 H THR A 22 8.518 3.022 -0.318 1.00 0.00 H new ATOM 0 HA THR A 22 8.279 5.726 0.654 1.00 0.00 H new ATOM 0 HB THR A 22 10.350 4.658 -1.284 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.548 4.043 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.811 6.286 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.378 7.069 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.453 6.766 0.900 1.00 0.00 H new ATOM 315 N VAL A 23 7.029 6.643 -1.317 1.00 0.00 N ATOM 316 CA VAL A 23 6.438 7.343 -2.451 1.00 0.00 C ATOM 317 C VAL A 23 6.078 8.778 -2.085 1.00 0.00 C ATOM 318 O VAL A 23 5.503 9.034 -1.025 1.00 0.00 O ATOM 319 CB VAL A 23 5.176 6.623 -2.960 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.353 7.546 -3.846 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.552 5.351 -3.705 1.00 0.00 C ATOM 0 H VAL A 23 6.616 6.878 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 23 7.187 7.350 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 23 4.566 6.347 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.465 7.019 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.052 8.425 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.951 7.857 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.648 4.855 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.184 5.602 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.094 4.684 -3.035 1.00 0.00 H new ATOM 331 N ASP A 24 6.419 9.712 -2.965 1.00 0.00 N ATOM 332 CA ASP A 24 6.131 11.122 -2.735 1.00 0.00 C ATOM 333 C ASP A 24 4.672 11.321 -2.334 1.00 0.00 C ATOM 334 O ASP A 24 3.771 10.633 -2.816 1.00 0.00 O ATOM 335 CB ASP A 24 6.443 11.941 -3.990 1.00 0.00 C ATOM 336 CG ASP A 24 7.889 11.804 -4.424 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.338 10.659 -4.641 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.571 12.843 -4.549 1.00 0.00 O ATOM 0 H ASP A 24 6.896 9.518 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 24 6.765 11.467 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.791 11.620 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.221 12.991 -3.800 1.00 0.00 H new ATOM 343 N PRO A 25 4.432 12.281 -1.429 1.00 0.00 N ATOM 344 CA PRO A 25 3.085 12.591 -0.941 1.00 0.00 C ATOM 345 C PRO A 25 2.218 13.247 -2.013 1.00 0.00 C ATOM 346 O PRO A 25 1.039 13.523 -1.788 1.00 0.00 O ATOM 347 CB PRO A 25 3.339 13.566 0.211 1.00 0.00 C ATOM 348 CG PRO A 25 4.651 14.195 -0.109 1.00 0.00 C ATOM 349 CD PRO A 25 5.458 13.139 -0.811 1.00 0.00 C ATOM 0 HA PRO A 25 2.542 11.693 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.548 14.313 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.372 13.047 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.519 15.071 -0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.154 14.531 0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.123 13.572 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.082 12.580 -0.114 1.00 0.00 H new ATOM 357 N LYS A 26 2.809 13.493 -3.177 1.00 0.00 N ATOM 358 CA LYS A 26 2.092 14.114 -4.283 1.00 0.00 C ATOM 359 C LYS A 26 1.157 13.114 -4.955 1.00 0.00 C ATOM 360 O LYS A 26 0.058 13.467 -5.383 1.00 0.00 O ATOM 361 CB LYS A 26 3.080 14.674 -5.308 1.00 0.00 C ATOM 362 CG LYS A 26 4.018 13.627 -5.883 1.00 0.00 C ATOM 363 CD LYS A 26 5.046 14.249 -6.813 1.00 0.00 C ATOM 364 CE LYS A 26 6.255 13.345 -6.993 1.00 0.00 C ATOM 365 NZ LYS A 26 7.093 13.761 -8.152 1.00 0.00 N ATOM 0 H LYS A 26 3.784 13.271 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 26 1.493 14.931 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.523 15.137 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.671 15.461 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.528 13.109 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.440 12.879 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.589 14.444 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.366 15.211 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.858 13.360 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.921 12.317 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.086 13.510 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.764 13.274 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.015 14.789 -8.286 1.00 0.00 H new ATOM 379 N TYR A 27 1.600 11.866 -5.045 1.00 0.00 N ATOM 380 CA TYR A 27 0.803 10.814 -5.666 1.00 0.00 C ATOM 381 C TYR A 27 -0.102 10.138 -4.640 1.00 0.00 C ATOM 382 O TYR A 27 -1.069 9.465 -4.997 1.00 0.00 O ATOM 383 CB TYR A 27 1.714 9.775 -6.322 1.00 0.00 C ATOM 384 CG TYR A 27 2.726 10.372 -7.273 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.392 11.441 -8.093 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.018 9.865 -7.349 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.314 11.989 -8.964 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.947 10.407 -8.217 1.00 0.00 C ATOM 389 CZ TYR A 27 4.590 11.469 -9.022 1.00 0.00 C ATOM 390 OH TYR A 27 5.512 12.012 -9.887 1.00 0.00 O ATOM 0 H TYR A 27 2.507 11.557 -4.696 1.00 0.00 H new ATOM 0 HA TYR A 27 0.176 11.272 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.241 9.223 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.100 9.055 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.394 11.852 -8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.301 9.034 -6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.037 12.820 -9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.947 10.001 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 27 6.362 11.531 -9.803 1.00 0.00 H new ATOM 400 N HIS A 28 0.220 10.323 -3.364 1.00 0.00 N ATOM 401 CA HIS A 28 -0.564 9.733 -2.284 1.00 0.00 C ATOM 402 C HIS A 28 -2.058 9.930 -2.528 1.00 0.00 C ATOM 403 O HIS A 28 -2.825 8.974 -2.637 1.00 0.00 O ATOM 404 CB HIS A 28 -0.168 10.349 -0.942 1.00 0.00 C ATOM 405 CG HIS A 28 0.882 9.569 -0.212 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.062 9.644 1.153 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.810 8.694 -0.665 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.056 8.849 1.508 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.527 8.262 0.423 1.00 0.00 N ATOM 0 H HIS A 28 1.018 10.876 -3.052 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.356 8.663 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.195 11.363 -1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.054 10.428 -0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.514 10.223 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.959 8.392 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.421 8.704 2.514 1.00 0.00 H new ATOM 417 N PRO A 29 -2.481 11.200 -2.612 1.00 0.00 N ATOM 418 CA PRO A 29 -3.885 11.552 -2.842 1.00 0.00 C ATOM 419 C PRO A 29 -4.348 11.200 -4.252 1.00 0.00 C ATOM 420 O PRO A 29 -5.529 11.318 -4.577 1.00 0.00 O ATOM 421 CB PRO A 29 -3.910 13.069 -2.634 1.00 0.00 C ATOM 422 CG PRO A 29 -2.519 13.514 -2.930 1.00 0.00 C ATOM 423 CD PRO A 29 -1.622 12.390 -2.490 1.00 0.00 C ATOM 0 HA PRO A 29 -4.555 11.006 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.629 13.548 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.199 13.324 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.393 13.720 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.282 14.434 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.736 12.312 -3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.274 12.531 -1.467 1.00 0.00 H new ATOM 431 N LYS A 30 -3.410 10.767 -5.086 1.00 0.00 N ATOM 432 CA LYS A 30 -3.720 10.396 -6.462 1.00 0.00 C ATOM 433 C LYS A 30 -4.033 8.907 -6.566 1.00 0.00 C ATOM 434 O LYS A 30 -4.770 8.479 -7.455 1.00 0.00 O ATOM 435 CB LYS A 30 -2.550 10.748 -7.383 1.00 0.00 C ATOM 436 CG LYS A 30 -2.371 12.241 -7.596 1.00 0.00 C ATOM 437 CD LYS A 30 -3.360 12.782 -8.614 1.00 0.00 C ATOM 438 CE LYS A 30 -3.351 14.302 -8.648 1.00 0.00 C ATOM 439 NZ LYS A 30 -4.325 14.884 -7.684 1.00 0.00 N ATOM 0 H LYS A 30 -2.427 10.664 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.601 10.957 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.632 10.337 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.702 10.267 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.501 12.763 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.354 12.442 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.115 12.394 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.362 12.429 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.350 14.665 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.588 14.644 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.288 15.922 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.284 14.559 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.084 14.578 -6.720 1.00 0.00 H new ATOM 453 N ILE A 31 -3.471 8.123 -5.652 1.00 0.00 N ATOM 454 CA ILE A 31 -3.693 6.683 -5.641 1.00 0.00 C ATOM 455 C ILE A 31 -5.026 6.337 -4.986 1.00 0.00 C ATOM 456 O ILE A 31 -5.796 5.532 -5.510 1.00 0.00 O ATOM 457 CB ILE A 31 -2.563 5.945 -4.899 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.200 6.360 -5.458 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.751 4.440 -5.010 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.086 6.305 -4.437 1.00 0.00 C ATOM 0 H ILE A 31 -2.859 8.461 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.707 6.358 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.601 6.219 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.947 5.710 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.271 7.374 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.945 3.933 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.708 4.159 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.736 4.148 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.850 6.612 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.317 6.977 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.013 5.287 -4.061 1.00 0.00 H new ATOM 472 N ILE A 32 -5.292 6.953 -3.839 1.00 0.00 N ATOM 473 CA ILE A 32 -6.534 6.712 -3.114 1.00 0.00 C ATOM 474 C ILE A 32 -7.719 6.620 -4.068 1.00 0.00 C ATOM 475 O ILE A 32 -8.521 5.690 -3.991 1.00 0.00 O ATOM 476 CB ILE A 32 -6.806 7.822 -2.081 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.723 7.820 -1.000 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.183 7.639 -1.459 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.798 9.011 -0.069 1.00 0.00 C ATOM 0 H ILE A 32 -4.665 7.622 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.416 5.762 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.783 8.786 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.807 6.905 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.744 7.803 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.362 8.430 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.943 7.685 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.232 6.671 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.001 8.945 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.683 9.930 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.764 9.017 0.437 1.00 0.00 H new ATOM 491 N GLY A 33 -7.822 7.590 -4.972 1.00 0.00 N ATOM 492 CA GLY A 33 -8.910 7.598 -5.931 1.00 0.00 C ATOM 493 C GLY A 33 -9.793 8.824 -5.796 1.00 0.00 C ATOM 494 O GLY A 33 -9.822 9.463 -4.745 1.00 0.00 O ATOM 0 H GLY A 33 -7.171 8.370 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.501 7.558 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.515 6.701 -5.797 1.00 0.00 H new ATOM 498 N ARG A 34 -10.512 9.153 -6.864 1.00 0.00 N ATOM 499 CA ARG A 34 -11.397 10.312 -6.861 1.00 0.00 C ATOM 500 C ARG A 34 -12.424 10.210 -5.736 1.00 0.00 C ATOM 501 O ARG A 34 -12.564 11.123 -4.923 1.00 0.00 O ATOM 502 CB ARG A 34 -12.111 10.440 -8.208 1.00 0.00 C ATOM 503 CG ARG A 34 -11.175 10.750 -9.366 1.00 0.00 C ATOM 504 CD ARG A 34 -11.925 10.806 -10.688 1.00 0.00 C ATOM 505 NE ARG A 34 -11.137 11.449 -11.736 1.00 0.00 N ATOM 506 CZ ARG A 34 -11.600 11.692 -12.958 1.00 0.00 C ATOM 507 NH1 ARG A 34 -12.839 11.349 -13.282 1.00 0.00 N ATOM 508 NH2 ARG A 34 -10.823 12.281 -13.857 1.00 0.00 N ATOM 0 H ARG A 34 -10.499 8.634 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.789 11.201 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.641 9.511 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.862 11.227 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.677 11.703 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.396 9.989 -9.420 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.187 9.795 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.860 11.350 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.180 11.727 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.440 10.897 -12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.191 11.537 -14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.870 12.548 -13.611 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.179 12.467 -14.795 1.00 0.00 H new ATOM 522 N LYS A 35 -13.142 9.092 -5.698 1.00 0.00 N ATOM 523 CA LYS A 35 -14.156 8.868 -4.675 1.00 0.00 C ATOM 524 C LYS A 35 -13.636 7.932 -3.589 1.00 0.00 C ATOM 525 O LYS A 35 -14.184 7.876 -2.489 1.00 0.00 O ATOM 526 CB LYS A 35 -15.424 8.285 -5.303 1.00 0.00 C ATOM 527 CG LYS A 35 -16.629 8.316 -4.380 1.00 0.00 C ATOM 528 CD LYS A 35 -17.213 9.714 -4.270 1.00 0.00 C ATOM 529 CE LYS A 35 -18.442 9.736 -3.375 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.567 8.953 -3.958 1.00 0.00 N ATOM 0 H LYS A 35 -13.040 8.327 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.394 9.829 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.658 8.841 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.231 7.254 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.391 7.631 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.339 7.963 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.460 10.394 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.478 10.078 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.186 9.330 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.759 10.767 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.437 9.142 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.706 9.231 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.345 7.938 -3.911 1.00 0.00 H new ATOM 544 N GLY A 36 -12.573 7.197 -3.906 1.00 0.00 N ATOM 545 CA GLY A 36 -11.997 6.274 -2.947 1.00 0.00 C ATOM 546 C GLY A 36 -12.367 4.832 -3.235 1.00 0.00 C ATOM 547 O GLY A 36 -12.062 3.937 -2.447 1.00 0.00 O ATOM 0 H GLY A 36 -12.101 7.225 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.912 6.376 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.334 6.539 -1.945 1.00 0.00 H new ATOM 551 N ALA A 37 -13.028 4.608 -4.366 1.00 0.00 N ATOM 552 CA ALA A 37 -13.440 3.265 -4.755 1.00 0.00 C ATOM 553 C ALA A 37 -12.291 2.507 -5.412 1.00 0.00 C ATOM 554 O ALA A 37 -12.353 1.290 -5.581 1.00 0.00 O ATOM 555 CB ALA A 37 -14.636 3.332 -5.693 1.00 0.00 C ATOM 0 H ALA A 37 -13.289 5.338 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.729 2.724 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.934 2.322 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.466 3.827 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.366 3.895 -6.587 1.00 0.00 H new ATOM 561 N VAL A 38 -11.242 3.235 -5.782 1.00 0.00 N ATOM 562 CA VAL A 38 -10.079 2.632 -6.421 1.00 0.00 C ATOM 563 C VAL A 38 -9.237 1.861 -5.410 1.00 0.00 C ATOM 564 O VAL A 38 -9.060 0.649 -5.532 1.00 0.00 O ATOM 565 CB VAL A 38 -9.198 3.696 -7.102 1.00 0.00 C ATOM 566 CG1 VAL A 38 -8.066 3.036 -7.876 1.00 0.00 C ATOM 567 CG2 VAL A 38 -10.037 4.576 -8.016 1.00 0.00 C ATOM 0 H VAL A 38 -11.174 4.244 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.454 1.944 -7.178 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.759 4.328 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.454 3.803 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.450 2.452 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.482 2.380 -8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.399 5.322 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.506 3.960 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.809 5.077 -7.431 1.00 0.00 H new ATOM 577 N ILE A 39 -8.719 2.573 -4.415 1.00 0.00 N ATOM 578 CA ILE A 39 -7.895 1.954 -3.383 1.00 0.00 C ATOM 579 C ILE A 39 -8.590 0.736 -2.783 1.00 0.00 C ATOM 580 O ILE A 39 -7.963 -0.299 -2.551 1.00 0.00 O ATOM 581 CB ILE A 39 -7.565 2.949 -2.255 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.474 2.380 -1.345 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.814 3.276 -1.453 1.00 0.00 C ATOM 584 CD1 ILE A 39 -5.071 2.702 -1.808 1.00 0.00 C ATOM 0 H ILE A 39 -8.855 3.578 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.968 1.641 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.194 3.871 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.613 2.770 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.589 1.298 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.563 3.980 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.562 3.720 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.214 2.362 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.350 2.267 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.912 2.288 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.937 3.783 -1.839 1.00 0.00 H new ATOM 596 N THR A 40 -9.889 0.864 -2.534 1.00 0.00 N ATOM 597 CA THR A 40 -10.670 -0.225 -1.961 1.00 0.00 C ATOM 598 C THR A 40 -10.567 -1.483 -2.816 1.00 0.00 C ATOM 599 O THR A 40 -10.569 -2.598 -2.297 1.00 0.00 O ATOM 600 CB THR A 40 -12.152 0.162 -1.813 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.266 1.555 -1.501 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.822 -0.663 -0.726 1.00 0.00 C ATOM 0 H THR A 40 -10.423 1.713 -2.721 1.00 0.00 H new ATOM 0 HA THR A 40 -10.256 -0.425 -0.973 1.00 0.00 H new ATOM 0 HB THR A 40 -12.653 -0.040 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.267 2.077 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.869 -0.371 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.760 -1.721 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.318 -0.490 0.225 1.00 0.00 H new ATOM 610 N GLN A 41 -10.477 -1.295 -4.129 1.00 0.00 N ATOM 611 CA GLN A 41 -10.374 -2.416 -5.056 1.00 0.00 C ATOM 612 C GLN A 41 -9.089 -3.202 -4.819 1.00 0.00 C ATOM 613 O GLN A 41 -9.123 -4.415 -4.613 1.00 0.00 O ATOM 614 CB GLN A 41 -10.421 -1.916 -6.501 1.00 0.00 C ATOM 615 CG GLN A 41 -10.424 -3.033 -7.531 1.00 0.00 C ATOM 616 CD GLN A 41 -9.026 -3.493 -7.897 1.00 0.00 C ATOM 617 OE1 GLN A 41 -8.248 -2.742 -8.486 1.00 0.00 O ATOM 618 NE2 GLN A 41 -8.700 -4.731 -7.549 1.00 0.00 N ATOM 0 H GLN A 41 -10.473 -0.377 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.221 -3.079 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.314 -1.306 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.562 -1.269 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.991 -3.879 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.937 -2.692 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.377 -5.319 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.773 -5.095 -7.769 1.00 0.00 H new ATOM 627 N ILE A 42 -7.960 -2.502 -4.850 1.00 0.00 N ATOM 628 CA ILE A 42 -6.664 -3.136 -4.637 1.00 0.00 C ATOM 629 C ILE A 42 -6.592 -3.793 -3.263 1.00 0.00 C ATOM 630 O ILE A 42 -6.112 -4.918 -3.126 1.00 0.00 O ATOM 631 CB ILE A 42 -5.514 -2.121 -4.770 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.570 -1.428 -6.132 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.173 -2.813 -4.576 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.933 -0.055 -6.139 1.00 0.00 C ATOM 0 H ILE A 42 -7.916 -1.497 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.555 -3.900 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.626 -1.363 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.070 -2.055 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.611 -1.338 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.369 -2.083 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.136 -3.264 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.051 -3.589 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.010 0.377 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.447 0.588 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.883 -0.140 -5.860 1.00 0.00 H new ATOM 646 N ARG A 43 -7.074 -3.083 -2.248 1.00 0.00 N ATOM 647 CA ARG A 43 -7.065 -3.597 -0.883 1.00 0.00 C ATOM 648 C ARG A 43 -7.814 -4.924 -0.797 1.00 0.00 C ATOM 649 O ARG A 43 -7.270 -5.927 -0.332 1.00 0.00 O ATOM 650 CB ARG A 43 -7.695 -2.581 0.071 1.00 0.00 C ATOM 651 CG ARG A 43 -6.813 -1.375 0.345 1.00 0.00 C ATOM 652 CD ARG A 43 -7.456 -0.430 1.348 1.00 0.00 C ATOM 653 NE ARG A 43 -8.627 0.242 0.794 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.578 0.795 1.538 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.498 0.754 2.860 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.614 1.390 0.959 1.00 0.00 N ATOM 0 H ARG A 43 -7.476 -2.150 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.028 -3.765 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.642 -2.240 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.924 -3.075 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.847 -1.708 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.622 -0.843 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.746 -0.989 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.726 0.315 1.663 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.720 0.290 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.704 0.297 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.230 1.180 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.680 1.423 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.344 1.814 1.531 1.00 0.00 H new ATOM 670 N LEU A 44 -9.062 -4.923 -1.249 1.00 0.00 N ATOM 671 CA LEU A 44 -9.887 -6.126 -1.223 1.00 0.00 C ATOM 672 C LEU A 44 -9.251 -7.240 -2.049 1.00 0.00 C ATOM 673 O LEU A 44 -9.217 -8.395 -1.628 1.00 0.00 O ATOM 674 CB LEU A 44 -11.289 -5.820 -1.754 1.00 0.00 C ATOM 675 CG LEU A 44 -12.245 -5.142 -0.772 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.484 -4.640 -1.495 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.629 -6.101 0.346 1.00 0.00 C ATOM 0 H LEU A 44 -9.526 -4.102 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.962 -6.462 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.192 -5.184 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.742 -6.754 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.735 -4.286 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.153 -4.160 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.192 -3.919 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.996 -5.480 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.310 -5.602 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.120 -6.977 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.733 -6.412 0.882 1.00 0.00 H new ATOM 689 N GLU A 45 -8.746 -6.883 -3.226 1.00 0.00 N ATOM 690 CA GLU A 45 -8.109 -7.853 -4.110 1.00 0.00 C ATOM 691 C GLU A 45 -7.026 -8.632 -3.371 1.00 0.00 C ATOM 692 O GLU A 45 -7.082 -9.859 -3.277 1.00 0.00 O ATOM 693 CB GLU A 45 -7.507 -7.149 -5.327 1.00 0.00 C ATOM 694 CG GLU A 45 -6.786 -8.088 -6.278 1.00 0.00 C ATOM 695 CD GLU A 45 -6.778 -7.578 -7.706 1.00 0.00 C ATOM 696 OE1 GLU A 45 -7.872 -7.308 -8.246 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.679 -7.450 -8.285 1.00 0.00 O ATOM 0 H GLU A 45 -8.766 -5.930 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.871 -8.555 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.301 -6.636 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.809 -6.385 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.759 -8.224 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.264 -9.067 -6.248 1.00 0.00 H new ATOM 704 N HIS A 46 -6.039 -7.911 -2.847 1.00 0.00 N ATOM 705 CA HIS A 46 -4.942 -8.535 -2.116 1.00 0.00 C ATOM 706 C HIS A 46 -5.340 -8.810 -0.669 1.00 0.00 C ATOM 707 O HIS A 46 -4.539 -9.311 0.120 1.00 0.00 O ATOM 708 CB HIS A 46 -3.702 -7.640 -2.156 1.00 0.00 C ATOM 709 CG HIS A 46 -3.143 -7.451 -3.532 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.390 -8.409 -4.177 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.233 -6.406 -4.387 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.039 -7.961 -5.368 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.538 -6.748 -5.522 1.00 0.00 N ATOM 0 H HIS A 46 -5.977 -6.895 -2.915 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.711 -9.486 -2.597 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.954 -6.665 -1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.932 -8.071 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.754 -5.477 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.444 -8.496 -6.094 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.426 -6.161 -6.348 1.00 0.00 H new ATOM 721 N ASP A 47 -6.580 -8.479 -0.329 1.00 0.00 N ATOM 722 CA ASP A 47 -7.084 -8.691 1.023 1.00 0.00 C ATOM 723 C ASP A 47 -6.134 -8.095 2.057 1.00 0.00 C ATOM 724 O ASP A 47 -5.754 -8.758 3.021 1.00 0.00 O ATOM 725 CB ASP A 47 -7.277 -10.185 1.290 1.00 0.00 C ATOM 726 CG ASP A 47 -8.592 -10.706 0.744 1.00 0.00 C ATOM 727 OD1 ASP A 47 -8.640 -11.055 -0.453 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.573 -10.763 1.515 1.00 0.00 O ATOM 0 H ASP A 47 -7.255 -8.063 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.047 -8.187 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.454 -10.741 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.235 -10.368 2.364 1.00 0.00 H new ATOM 733 N VAL A 48 -5.754 -6.838 1.848 1.00 0.00 N ATOM 734 CA VAL A 48 -4.848 -6.152 2.762 1.00 0.00 C ATOM 735 C VAL A 48 -5.390 -4.779 3.144 1.00 0.00 C ATOM 736 O VAL A 48 -6.378 -4.312 2.581 1.00 0.00 O ATOM 737 CB VAL A 48 -3.447 -5.986 2.144 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.807 -7.344 1.899 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.526 -5.184 0.854 1.00 0.00 C ATOM 0 H VAL A 48 -6.059 -6.275 1.054 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.771 -6.771 3.656 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.821 -5.438 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.818 -7.207 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.715 -7.879 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.429 -7.921 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.527 -5.076 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.168 -5.703 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.940 -4.198 1.064 1.00 0.00 H new ATOM 749 N ASN A 49 -4.733 -4.138 4.105 1.00 0.00 N ATOM 750 CA ASN A 49 -5.149 -2.817 4.563 1.00 0.00 C ATOM 751 C ASN A 49 -4.092 -1.768 4.229 1.00 0.00 C ATOM 752 O ASN A 49 -2.931 -1.898 4.617 1.00 0.00 O ATOM 753 CB ASN A 49 -5.407 -2.835 6.072 1.00 0.00 C ATOM 754 CG ASN A 49 -6.326 -1.713 6.514 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.897 -0.771 7.182 1.00 0.00 O ATOM 756 ND2 ASN A 49 -7.597 -1.808 6.145 1.00 0.00 N ATOM 0 H ASN A 49 -3.912 -4.511 4.581 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.072 -2.555 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.847 -3.793 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.458 -2.753 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.262 -1.083 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.909 -2.606 5.592 1.00 0.00 H new ATOM 763 N ILE A 50 -4.504 -0.730 3.510 1.00 0.00 N ATOM 764 CA ILE A 50 -3.593 0.342 3.127 1.00 0.00 C ATOM 765 C ILE A 50 -4.040 1.679 3.709 1.00 0.00 C ATOM 766 O ILE A 50 -5.236 1.956 3.802 1.00 0.00 O ATOM 767 CB ILE A 50 -3.490 0.472 1.595 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.993 -0.840 0.983 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.565 1.621 1.222 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.387 -1.018 -0.466 1.00 0.00 C ATOM 0 H ILE A 50 -5.462 -0.608 3.181 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.614 0.082 3.530 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.481 0.685 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.907 -0.880 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.387 -1.674 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.502 1.700 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.957 2.552 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.571 1.435 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.001 -1.969 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.474 -1.010 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.971 -0.204 -1.059 1.00 0.00 H new ATOM 782 N GLN A 51 -3.072 2.502 4.096 1.00 0.00 N ATOM 783 CA GLN A 51 -3.367 3.810 4.669 1.00 0.00 C ATOM 784 C GLN A 51 -2.262 4.809 4.342 1.00 0.00 C ATOM 785 O GLN A 51 -1.097 4.437 4.203 1.00 0.00 O ATOM 786 CB GLN A 51 -3.539 3.701 6.184 1.00 0.00 C ATOM 787 CG GLN A 51 -4.467 4.752 6.770 1.00 0.00 C ATOM 788 CD GLN A 51 -4.561 4.673 8.281 1.00 0.00 C ATOM 789 OE1 GLN A 51 -4.500 3.589 8.863 1.00 0.00 O ATOM 790 NE2 GLN A 51 -4.709 5.824 8.927 1.00 0.00 N ATOM 0 H GLN A 51 -2.078 2.287 4.024 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.298 4.168 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.926 2.711 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.562 3.786 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.114 5.743 6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.462 4.632 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.755 6.699 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.777 5.833 9.945 1.00 0.00 H new ATOM 799 N PHE A 52 -2.636 6.079 4.218 1.00 0.00 N ATOM 800 CA PHE A 52 -1.676 7.131 3.905 1.00 0.00 C ATOM 801 C PHE A 52 -1.542 8.108 5.070 1.00 0.00 C ATOM 802 O PHE A 52 -2.473 8.320 5.847 1.00 0.00 O ATOM 803 CB PHE A 52 -2.104 7.882 2.643 1.00 0.00 C ATOM 804 CG PHE A 52 -2.265 6.993 1.443 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.195 6.747 0.598 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.486 6.403 1.161 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.340 5.929 -0.507 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.637 5.585 0.058 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.563 5.348 -0.778 1.00 0.00 C ATOM 0 H PHE A 52 -3.596 6.404 4.329 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.707 6.664 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.047 8.393 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.365 8.651 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.236 7.200 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.329 6.584 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.498 5.745 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.594 5.131 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.680 4.710 -1.641 1.00 0.00 H new ATOM 819 N PRO A 53 -0.353 8.718 5.197 1.00 0.00 N ATOM 820 CA PRO A 53 -0.068 9.682 6.263 1.00 0.00 C ATOM 821 C PRO A 53 -0.830 10.990 6.082 1.00 0.00 C ATOM 822 O PRO A 53 -1.319 11.289 4.992 1.00 0.00 O ATOM 823 CB PRO A 53 1.439 9.919 6.134 1.00 0.00 C ATOM 824 CG PRO A 53 1.750 9.610 4.710 1.00 0.00 C ATOM 825 CD PRO A 53 0.802 8.513 4.308 1.00 0.00 C ATOM 0 HA PRO A 53 -0.373 9.309 7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.701 10.948 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.001 9.275 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.617 10.491 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.786 9.291 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.520 8.591 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.246 7.527 4.447 1.00 0.00 H new ATOM 833 N ASP A 54 -0.927 11.767 7.156 1.00 0.00 N ATOM 834 CA ASP A 54 -1.629 13.044 7.113 1.00 0.00 C ATOM 835 C ASP A 54 -0.645 14.208 7.195 1.00 0.00 C ATOM 836 O ASP A 54 0.095 14.343 8.170 1.00 0.00 O ATOM 837 CB ASP A 54 -2.638 13.133 8.259 1.00 0.00 C ATOM 838 CG ASP A 54 -3.834 13.998 7.911 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.711 13.524 7.159 1.00 0.00 O ATOM 840 OD2 ASP A 54 -3.892 15.149 8.391 1.00 0.00 O ATOM 0 H ASP A 54 -0.529 11.535 8.066 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.161 13.107 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.981 12.131 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.145 13.538 9.143 1.00 0.00 H new ATOM 845 N LYS A 55 -0.640 15.045 6.163 1.00 0.00 N ATOM 846 CA LYS A 55 0.252 16.197 6.116 1.00 0.00 C ATOM 847 C LYS A 55 0.127 17.034 7.385 1.00 0.00 C ATOM 848 O LYS A 55 1.129 17.453 7.965 1.00 0.00 O ATOM 849 CB LYS A 55 -0.059 17.059 4.891 1.00 0.00 C ATOM 850 CG LYS A 55 -0.494 16.257 3.677 1.00 0.00 C ATOM 851 CD LYS A 55 -0.119 16.958 2.382 1.00 0.00 C ATOM 852 CE LYS A 55 -1.133 18.030 2.014 1.00 0.00 C ATOM 853 NZ LYS A 55 -1.106 18.343 0.558 1.00 0.00 N ATOM 0 H LYS A 55 -1.244 14.947 5.347 1.00 0.00 H new ATOM 0 HA LYS A 55 1.276 15.830 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.845 17.769 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.825 17.642 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.030 15.271 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.573 16.103 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.868 17.409 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.053 16.226 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.132 17.697 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.927 18.936 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.811 19.078 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.160 18.685 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.328 17.485 0.014 1.00 0.00 H new ATOM 867 N ASP A 56 -1.108 17.272 7.812 1.00 0.00 N ATOM 868 CA ASP A 56 -1.364 18.056 9.014 1.00 0.00 C ATOM 869 C ASP A 56 -0.515 17.558 10.180 1.00 0.00 C ATOM 870 O ASP A 56 0.037 18.351 10.942 1.00 0.00 O ATOM 871 CB ASP A 56 -2.846 17.994 9.384 1.00 0.00 C ATOM 872 CG ASP A 56 -3.142 18.675 10.706 1.00 0.00 C ATOM 873 OD1 ASP A 56 -2.650 18.190 11.747 1.00 0.00 O ATOM 874 OD2 ASP A 56 -3.868 19.692 10.701 1.00 0.00 O ATOM 0 H ASP A 56 -1.948 16.933 7.343 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.092 19.091 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.434 18.465 8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.161 16.952 9.437 1.00 0.00 H new ATOM 879 N ASP A 57 -0.415 16.239 10.310 1.00 0.00 N ATOM 880 CA ASP A 57 0.367 15.635 11.382 1.00 0.00 C ATOM 881 C ASP A 57 1.771 16.230 11.434 1.00 0.00 C ATOM 882 O ASP A 57 2.116 16.952 12.370 1.00 0.00 O ATOM 883 CB ASP A 57 0.449 14.119 11.190 1.00 0.00 C ATOM 884 CG ASP A 57 0.575 13.375 12.505 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.692 13.338 13.062 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.444 12.830 12.978 1.00 0.00 O ATOM 0 H ASP A 57 -0.865 15.569 9.687 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.133 15.848 12.327 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.441 13.774 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.305 13.881 10.558 1.00 0.00 H new ATOM 891 N GLY A 58 2.577 15.922 10.423 1.00 0.00 N ATOM 892 CA GLY A 58 3.934 16.433 10.373 1.00 0.00 C ATOM 893 C GLY A 58 4.955 15.411 10.828 1.00 0.00 C ATOM 894 O GLY A 58 5.535 14.697 10.011 1.00 0.00 O ATOM 0 H GLY A 58 2.314 15.327 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.165 16.744 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.008 17.321 11.001 1.00 0.00 H new ATOM 898 N ASN A 59 5.179 15.342 12.137 1.00 0.00 N ATOM 899 CA ASN A 59 6.141 14.401 12.699 1.00 0.00 C ATOM 900 C ASN A 59 6.147 13.094 11.912 1.00 0.00 C ATOM 901 O ASN A 59 7.187 12.454 11.761 1.00 0.00 O ATOM 902 CB ASN A 59 5.816 14.124 14.168 1.00 0.00 C ATOM 903 CG ASN A 59 6.062 15.331 15.052 1.00 0.00 C ATOM 904 OD1 ASN A 59 5.122 15.981 15.510 1.00 0.00 O ATOM 905 ND2 ASN A 59 7.331 15.637 15.296 1.00 0.00 N ATOM 0 H ASN A 59 4.708 15.926 12.828 1.00 0.00 H new ATOM 0 HA ASN A 59 7.132 14.849 12.632 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.773 13.820 14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.422 13.289 14.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.558 16.439 15.884 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.078 15.070 14.895 1.00 0.00 H new ATOM 912 N GLN A 60 4.977 12.704 11.415 1.00 0.00 N ATOM 913 CA GLN A 60 4.848 11.473 10.644 1.00 0.00 C ATOM 914 C GLN A 60 5.251 11.696 9.190 1.00 0.00 C ATOM 915 O GLN A 60 5.080 12.780 8.633 1.00 0.00 O ATOM 916 CB GLN A 60 3.412 10.952 10.714 1.00 0.00 C ATOM 917 CG GLN A 60 2.939 10.657 12.128 1.00 0.00 C ATOM 918 CD GLN A 60 1.516 10.136 12.171 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.611 10.830 11.491 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.232 9.122 12.810 1.00 0.00 N flip ATOM 0 H GLN A 60 4.106 13.222 11.532 1.00 0.00 H new ATOM 0 HA GLN A 60 5.518 10.730 11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.745 11.687 10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.335 10.043 10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.604 9.924 12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.008 11.565 12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.959 8.619 13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.269 8.785 12.831 1.00 0.00 H new ATOM 929 N PRO A 61 5.800 10.647 8.561 1.00 0.00 N ATOM 930 CA PRO A 61 6.239 10.703 7.163 1.00 0.00 C ATOM 931 C PRO A 61 5.067 10.799 6.190 1.00 0.00 C ATOM 932 O PRO A 61 4.130 10.003 6.255 1.00 0.00 O ATOM 933 CB PRO A 61 6.986 9.381 6.972 1.00 0.00 C ATOM 934 CG PRO A 61 6.395 8.463 7.986 1.00 0.00 C ATOM 935 CD PRO A 61 6.034 9.324 9.164 1.00 0.00 C ATOM 0 HA PRO A 61 6.848 11.585 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.853 8.993 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.058 9.506 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.515 7.957 7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.106 7.688 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.146 8.953 9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.837 9.354 9.901 1.00 0.00 H new ATOM 943 N GLN A 62 5.129 11.776 5.292 1.00 0.00 N ATOM 944 CA GLN A 62 4.071 11.975 4.307 1.00 0.00 C ATOM 945 C GLN A 62 4.364 11.195 3.030 1.00 0.00 C ATOM 946 O GLN A 62 3.480 10.992 2.197 1.00 0.00 O ATOM 947 CB GLN A 62 3.916 13.462 3.986 1.00 0.00 C ATOM 948 CG GLN A 62 3.775 14.339 5.221 1.00 0.00 C ATOM 949 CD GLN A 62 2.703 13.841 6.170 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.621 13.435 5.745 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.998 13.870 7.464 1.00 0.00 N ATOM 0 H GLN A 62 5.899 12.442 5.225 1.00 0.00 H new ATOM 0 HA GLN A 62 3.139 11.604 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.781 13.794 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.041 13.599 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.730 14.378 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.538 15.358 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.907 14.215 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.315 13.548 8.150 1.00 0.00 H new ATOM 960 N ASP A 63 5.611 10.759 2.881 1.00 0.00 N ATOM 961 CA ASP A 63 6.020 10.001 1.705 1.00 0.00 C ATOM 962 C ASP A 63 6.009 8.503 1.993 1.00 0.00 C ATOM 963 O ASP A 63 6.266 7.689 1.106 1.00 0.00 O ATOM 964 CB ASP A 63 7.416 10.436 1.252 1.00 0.00 C ATOM 965 CG ASP A 63 8.517 9.758 2.044 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.768 8.558 1.805 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.129 10.428 2.902 1.00 0.00 O ATOM 0 H ASP A 63 6.355 10.918 3.560 1.00 0.00 H new ATOM 0 HA ASP A 63 5.307 10.204 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.540 10.207 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.509 11.517 1.357 1.00 0.00 H new ATOM 972 N GLN A 64 5.710 8.148 3.238 1.00 0.00 N ATOM 973 CA GLN A 64 5.667 6.747 3.643 1.00 0.00 C ATOM 974 C GLN A 64 4.232 6.231 3.664 1.00 0.00 C ATOM 975 O GLN A 64 3.337 6.879 4.208 1.00 0.00 O ATOM 976 CB GLN A 64 6.305 6.574 5.023 1.00 0.00 C ATOM 977 CG GLN A 64 7.807 6.803 5.031 1.00 0.00 C ATOM 978 CD GLN A 64 8.593 5.539 4.744 1.00 0.00 C ATOM 979 OE1 GLN A 64 9.088 4.879 5.659 1.00 0.00 O ATOM 980 NE2 GLN A 64 8.711 5.193 3.466 1.00 0.00 N ATOM 0 H GLN A 64 5.494 8.810 3.983 1.00 0.00 H new ATOM 0 HA GLN A 64 6.232 6.166 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.836 7.268 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.097 5.568 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.059 7.559 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.105 7.199 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.285 5.769 2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.228 4.351 3.211 1.00 0.00 H new ATOM 989 N ILE A 65 4.021 5.061 3.069 1.00 0.00 N ATOM 990 CA ILE A 65 2.695 4.458 3.021 1.00 0.00 C ATOM 991 C ILE A 65 2.640 3.183 3.855 1.00 0.00 C ATOM 992 O ILE A 65 3.232 2.165 3.493 1.00 0.00 O ATOM 993 CB ILE A 65 2.277 4.131 1.575 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.630 5.293 0.644 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.789 3.826 1.510 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.701 4.899 -0.814 1.00 0.00 C ATOM 0 H ILE A 65 4.751 4.513 2.614 1.00 0.00 H new ATOM 0 HA ILE A 65 2.001 5.190 3.434 1.00 0.00 H new ATOM 0 HB ILE A 65 2.823 3.247 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.887 6.082 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.590 5.711 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.509 3.597 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.565 2.970 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.225 4.692 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.956 5.772 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.464 4.132 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.735 4.508 -1.133 1.00 0.00 H new ATOM 1008 N THR A 66 1.925 3.243 4.974 1.00 0.00 N ATOM 1009 CA THR A 66 1.793 2.094 5.860 1.00 0.00 C ATOM 1010 C THR A 66 0.776 1.095 5.316 1.00 0.00 C ATOM 1011 O THR A 66 -0.331 1.472 4.926 1.00 0.00 O ATOM 1012 CB THR A 66 1.367 2.522 7.277 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.900 3.816 7.578 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.847 1.517 8.313 1.00 0.00 C ATOM 0 H THR A 66 1.428 4.076 5.288 1.00 0.00 H new ATOM 0 HA THR A 66 2.773 1.620 5.911 1.00 0.00 H new ATOM 0 HB THR A 66 0.278 2.561 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.623 4.082 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.534 1.840 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.417 0.539 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.934 1.450 8.279 1.00 0.00 H new ATOM 1022 N ILE A 67 1.157 -0.177 5.295 1.00 0.00 N ATOM 1023 CA ILE A 67 0.276 -1.229 4.801 1.00 0.00 C ATOM 1024 C ILE A 67 0.331 -2.459 5.701 1.00 0.00 C ATOM 1025 O ILE A 67 1.406 -2.986 5.988 1.00 0.00 O ATOM 1026 CB ILE A 67 0.644 -1.642 3.364 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.660 -0.417 2.446 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.334 -2.686 2.847 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.203 -0.705 1.064 1.00 0.00 C ATOM 0 H ILE A 67 2.069 -0.505 5.614 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.735 -0.822 4.806 1.00 0.00 H new ATOM 0 HB ILE A 67 1.642 -2.080 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.354 -0.028 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.262 0.366 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.061 -2.968 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.300 -3.566 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.343 -2.273 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.185 0.208 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.229 -1.066 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.588 -1.465 0.582 1.00 0.00 H new ATOM 1041 N THR A 68 -0.838 -2.914 6.143 1.00 0.00 N ATOM 1042 CA THR A 68 -0.924 -4.083 7.010 1.00 0.00 C ATOM 1043 C THR A 68 -1.437 -5.298 6.245 1.00 0.00 C ATOM 1044 O THR A 68 -2.168 -5.163 5.266 1.00 0.00 O ATOM 1045 CB THR A 68 -1.847 -3.821 8.215 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.757 -2.449 8.613 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.478 -4.720 9.385 1.00 0.00 C ATOM 0 H THR A 68 -1.738 -2.491 5.915 1.00 0.00 H new ATOM 0 HA THR A 68 0.084 -4.284 7.371 1.00 0.00 H new ATOM 0 HB THR A 68 -2.871 -4.044 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.348 -2.291 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.143 -4.517 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.578 -5.764 9.087 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.448 -4.525 9.683 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.048 -6.485 6.701 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.479 -7.707 6.047 1.00 0.00 C ATOM 1057 C GLY A 69 -0.363 -8.725 5.929 1.00 0.00 C ATOM 1058 O GLY A 69 0.756 -8.486 6.384 1.00 0.00 O ATOM 0 H GLY A 69 -0.443 -6.622 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.307 -8.143 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.857 -7.470 5.053 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.667 -9.865 5.317 1.00 0.00 N ATOM 1063 CA TYR A 70 0.320 -10.926 5.143 1.00 0.00 C ATOM 1064 C TYR A 70 1.541 -10.415 4.385 1.00 0.00 C ATOM 1065 O TYR A 70 1.425 -9.911 3.269 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.300 -12.109 4.399 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.374 -12.825 5.186 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.052 -13.597 6.294 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.712 -12.729 4.820 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.030 -14.255 7.016 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.697 -13.381 5.536 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.350 -14.143 6.633 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.328 -14.794 7.349 1.00 0.00 O ATOM 0 H TYR A 70 -1.588 -10.078 4.933 1.00 0.00 H new ATOM 0 HA TYR A 70 0.642 -11.255 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.725 -11.754 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.486 -12.819 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.019 -13.685 6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.986 -12.134 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.762 -14.853 7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.732 -13.295 5.239 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.203 -14.611 6.948 1.00 0.00 H new ATOM 1083 N GLU A 71 2.711 -10.550 5.001 1.00 0.00 N ATOM 1084 CA GLU A 71 3.955 -10.103 4.385 1.00 0.00 C ATOM 1085 C GLU A 71 3.922 -10.322 2.876 1.00 0.00 C ATOM 1086 O GLU A 71 4.517 -9.559 2.113 1.00 0.00 O ATOM 1087 CB GLU A 71 5.147 -10.843 4.995 1.00 0.00 C ATOM 1088 CG GLU A 71 6.472 -10.514 4.328 1.00 0.00 C ATOM 1089 CD GLU A 71 7.662 -11.043 5.105 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.814 -12.279 5.189 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.442 -10.220 5.631 1.00 0.00 O ATOM 0 H GLU A 71 2.824 -10.965 5.926 1.00 0.00 H new ATOM 0 HA GLU A 71 4.064 -9.036 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.212 -10.598 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.972 -11.917 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.483 -10.935 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.563 -9.433 4.222 1.00 0.00 H new ATOM 1098 N LYS A 72 3.225 -11.370 2.450 1.00 0.00 N ATOM 1099 CA LYS A 72 3.114 -11.691 1.033 1.00 0.00 C ATOM 1100 C LYS A 72 2.147 -10.742 0.333 1.00 0.00 C ATOM 1101 O LYS A 72 2.546 -9.956 -0.525 1.00 0.00 O ATOM 1102 CB LYS A 72 2.646 -13.138 0.851 1.00 0.00 C ATOM 1103 CG LYS A 72 3.784 -14.142 0.792 1.00 0.00 C ATOM 1104 CD LYS A 72 4.362 -14.246 -0.611 1.00 0.00 C ATOM 1105 CE LYS A 72 5.411 -15.344 -0.701 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.221 -15.237 -1.945 1.00 0.00 N ATOM 0 H LYS A 72 2.728 -12.012 3.067 1.00 0.00 H new ATOM 0 HA LYS A 72 4.100 -11.574 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.982 -13.402 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.062 -13.209 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.568 -13.846 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.425 -15.120 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.561 -14.448 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.807 -13.292 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.069 -15.290 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.921 -16.317 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.924 -16.003 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.597 -15.314 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.709 -14.319 -1.964 1.00 0.00 H new ATOM 1120 N ASN A 73 0.874 -10.819 0.707 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.150 -9.965 0.117 1.00 0.00 C ATOM 1122 C ASN A 73 0.282 -8.502 0.139 1.00 0.00 C ATOM 1123 O ASN A 73 0.157 -7.790 -0.858 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.474 -10.129 0.866 1.00 0.00 C ATOM 1125 CG ASN A 73 -1.973 -11.561 0.852 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.289 -12.463 0.369 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.172 -11.774 1.381 1.00 0.00 N ATOM 0 H ASN A 73 0.527 -11.465 1.416 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.287 -10.269 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.347 -9.801 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.226 -9.481 0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.562 -12.716 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.703 -10.995 1.770 1.00 0.00 H new ATOM 1134 N THR A 74 0.794 -8.059 1.284 1.00 0.00 N ATOM 1135 CA THR A 74 1.245 -6.682 1.437 1.00 0.00 C ATOM 1136 C THR A 74 2.206 -6.291 0.319 1.00 0.00 C ATOM 1137 O THR A 74 2.081 -5.218 -0.270 1.00 0.00 O ATOM 1138 CB THR A 74 1.939 -6.466 2.795 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.885 -7.515 3.034 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.921 -6.427 3.923 1.00 0.00 C ATOM 0 H THR A 74 0.906 -8.635 2.118 1.00 0.00 H new ATOM 0 HA THR A 74 0.358 -6.051 1.387 1.00 0.00 H new ATOM 0 HB THR A 74 2.459 -5.509 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.638 -7.164 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.435 -6.274 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.221 -5.609 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.376 -7.370 3.954 1.00 0.00 H new ATOM 1148 N GLU A 75 3.164 -7.167 0.035 1.00 0.00 N ATOM 1149 CA GLU A 75 4.146 -6.910 -1.013 1.00 0.00 C ATOM 1150 C GLU A 75 3.471 -6.812 -2.379 1.00 0.00 C ATOM 1151 O GLU A 75 3.882 -6.024 -3.229 1.00 0.00 O ATOM 1152 CB GLU A 75 5.203 -8.016 -1.033 1.00 0.00 C ATOM 1153 CG GLU A 75 6.118 -8.004 0.180 1.00 0.00 C ATOM 1154 CD GLU A 75 7.196 -6.942 0.088 1.00 0.00 C ATOM 1155 OE1 GLU A 75 6.955 -5.909 -0.572 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.280 -7.143 0.675 1.00 0.00 O ATOM 0 H GLU A 75 3.282 -8.060 0.515 1.00 0.00 H new ATOM 0 HA GLU A 75 4.630 -5.958 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.704 -8.983 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.807 -7.914 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.523 -7.835 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.586 -8.983 0.287 1.00 0.00 H new ATOM 1163 N ALA A 76 2.435 -7.619 -2.579 1.00 0.00 N ATOM 1164 CA ALA A 76 1.701 -7.622 -3.839 1.00 0.00 C ATOM 1165 C ALA A 76 0.907 -6.333 -4.016 1.00 0.00 C ATOM 1166 O ALA A 76 0.864 -5.763 -5.106 1.00 0.00 O ATOM 1167 CB ALA A 76 0.777 -8.828 -3.909 1.00 0.00 C ATOM 0 H ALA A 76 2.085 -8.279 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 76 2.425 -7.685 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.236 -8.817 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.366 -9.742 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.066 -8.790 -3.084 1.00 0.00 H new ATOM 1173 N ALA A 77 0.278 -5.878 -2.937 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.515 -4.655 -2.973 1.00 0.00 C ATOM 1175 C ALA A 77 0.381 -3.422 -3.009 1.00 0.00 C ATOM 1176 O ALA A 77 0.076 -2.441 -3.688 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.448 -4.596 -1.773 1.00 0.00 C ATOM 0 H ALA A 77 0.302 -6.338 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.113 -4.665 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.034 -3.678 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.118 -5.455 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.861 -4.613 -0.855 1.00 0.00 H new ATOM 1183 N ARG A 78 1.488 -3.478 -2.276 1.00 0.00 N ATOM 1184 CA ARG A 78 2.427 -2.363 -2.223 1.00 0.00 C ATOM 1185 C ARG A 78 3.104 -2.158 -3.576 1.00 0.00 C ATOM 1186 O ARG A 78 3.552 -1.058 -3.897 1.00 0.00 O ATOM 1187 CB ARG A 78 3.483 -2.609 -1.145 1.00 0.00 C ATOM 1188 CG ARG A 78 4.694 -3.382 -1.642 1.00 0.00 C ATOM 1189 CD ARG A 78 5.783 -2.447 -2.145 1.00 0.00 C ATOM 1190 NE ARG A 78 6.814 -3.161 -2.893 1.00 0.00 N ATOM 1191 CZ ARG A 78 8.052 -2.708 -3.053 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.412 -1.549 -2.519 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.934 -3.415 -3.748 1.00 0.00 N ATOM 0 H ARG A 78 1.757 -4.283 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 78 1.868 -1.461 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.814 -1.650 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.027 -3.156 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.088 -4.001 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.393 -4.056 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.338 -1.681 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.239 -1.933 -1.299 1.00 0.00 H new ATOM 0 HE ARG A 78 6.570 -4.057 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.737 -1.003 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.364 -1.204 -2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.661 -4.307 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.885 -3.066 -3.870 1.00 0.00 H new ATOM 1207 N ASP A 79 3.173 -3.226 -4.363 1.00 0.00 N ATOM 1208 CA ASP A 79 3.795 -3.164 -5.681 1.00 0.00 C ATOM 1209 C ASP A 79 2.997 -2.260 -6.617 1.00 0.00 C ATOM 1210 O ASP A 79 3.554 -1.644 -7.526 1.00 0.00 O ATOM 1211 CB ASP A 79 3.909 -4.566 -6.282 1.00 0.00 C ATOM 1212 CG ASP A 79 4.773 -4.595 -7.526 1.00 0.00 C ATOM 1213 OD1 ASP A 79 6.010 -4.685 -7.387 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.213 -4.526 -8.640 1.00 0.00 O ATOM 0 H ASP A 79 2.806 -4.144 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 79 4.794 -2.745 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.326 -5.244 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.913 -4.935 -6.527 1.00 0.00 H new ATOM 1219 N ALA A 80 1.690 -2.187 -6.387 1.00 0.00 N ATOM 1220 CA ALA A 80 0.816 -1.358 -7.208 1.00 0.00 C ATOM 1221 C ALA A 80 1.096 0.124 -6.985 1.00 0.00 C ATOM 1222 O ALA A 80 1.377 0.861 -7.931 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.642 -1.672 -6.909 1.00 0.00 C ATOM 0 H ALA A 80 1.213 -2.692 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 80 1.019 -1.586 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.284 -1.046 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.840 -2.722 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.849 -1.474 -5.857 1.00 0.00 H new ATOM 1229 N ILE A 81 1.017 0.554 -5.730 1.00 0.00 N ATOM 1230 CA ILE A 81 1.263 1.948 -5.384 1.00 0.00 C ATOM 1231 C ILE A 81 2.458 2.503 -6.152 1.00 0.00 C ATOM 1232 O ILE A 81 2.469 3.670 -6.547 1.00 0.00 O ATOM 1233 CB ILE A 81 1.513 2.118 -3.874 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.302 1.633 -3.076 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.822 3.571 -3.548 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.580 1.459 -1.600 1.00 0.00 C ATOM 0 H ILE A 81 0.785 -0.043 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 81 0.367 2.504 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 81 2.375 1.512 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.514 2.344 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.037 0.682 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.996 3.674 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.713 3.885 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.979 4.197 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.324 1.113 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.374 0.725 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.890 2.413 -1.173 1.00 0.00 H new ATOM 1248 N LEU A 82 3.463 1.659 -6.362 1.00 0.00 N ATOM 1249 CA LEU A 82 4.663 2.063 -7.085 1.00 0.00 C ATOM 1250 C LEU A 82 4.433 2.015 -8.592 1.00 0.00 C ATOM 1251 O LEU A 82 4.648 3.002 -9.295 1.00 0.00 O ATOM 1252 CB LEU A 82 5.838 1.160 -6.708 1.00 0.00 C ATOM 1253 CG LEU A 82 6.095 0.985 -5.210 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.121 -0.113 -4.971 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.559 2.295 -4.592 1.00 0.00 C ATOM 0 H LEU A 82 3.470 0.691 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 82 4.898 3.090 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.669 0.176 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.741 1.562 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 82 5.161 0.692 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.292 -0.224 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.750 -1.053 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.057 0.151 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.737 2.152 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.482 2.618 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.791 3.056 -4.733 1.00 0.00 H new ATOM 1267 N ARG A 83 3.994 0.860 -9.082 1.00 0.00 N ATOM 1268 CA ARG A 83 3.734 0.683 -10.506 1.00 0.00 C ATOM 1269 C ARG A 83 3.085 1.930 -11.099 1.00 0.00 C ATOM 1270 O ARG A 83 3.523 2.437 -12.133 1.00 0.00 O ATOM 1271 CB ARG A 83 2.832 -0.531 -10.734 1.00 0.00 C ATOM 1272 CG ARG A 83 3.069 -1.223 -12.067 1.00 0.00 C ATOM 1273 CD ARG A 83 1.804 -1.899 -12.576 1.00 0.00 C ATOM 1274 NE ARG A 83 1.922 -2.299 -13.975 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.001 -3.009 -14.617 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.100 -3.395 -13.988 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.180 -3.333 -15.891 1.00 0.00 N ATOM 0 H ARG A 83 3.811 0.033 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 83 4.688 0.518 -11.006 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.991 -1.248 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.790 -0.215 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.414 -0.494 -12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.861 -1.964 -11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.591 -2.776 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.959 -1.219 -12.463 1.00 0.00 H new ATOM 0 HE ARG A 83 2.758 -2.018 -14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.242 -3.147 -13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.806 -3.940 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.026 -3.037 -16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.472 -3.878 -16.383 1.00 0.00 H new ATOM 1291 N ILE A 84 2.041 2.418 -10.440 1.00 0.00 N ATOM 1292 CA ILE A 84 1.332 3.606 -10.901 1.00 0.00 C ATOM 1293 C ILE A 84 2.258 4.817 -10.939 1.00 0.00 C ATOM 1294 O ILE A 84 2.389 5.479 -11.969 1.00 0.00 O ATOM 1295 CB ILE A 84 0.124 3.926 -10.002 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.806 2.714 -9.911 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.628 5.136 -10.536 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.614 2.667 -8.633 1.00 0.00 C ATOM 0 H ILE A 84 1.666 2.009 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 84 0.977 3.390 -11.909 1.00 0.00 H new ATOM 0 HB ILE A 84 0.487 4.160 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.487 2.724 -10.762 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.212 1.804 -9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.479 5.350 -9.890 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.038 5.999 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.982 4.928 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.250 1.782 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.940 2.625 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.235 3.560 -8.562 1.00 0.00 H new ATOM 1310 N VAL A 85 2.898 5.102 -9.810 1.00 0.00 N ATOM 1311 CA VAL A 85 3.815 6.232 -9.714 1.00 0.00 C ATOM 1312 C VAL A 85 4.693 6.334 -10.955 1.00 0.00 C ATOM 1313 O VAL A 85 4.644 7.323 -11.685 1.00 0.00 O ATOM 1314 CB VAL A 85 4.714 6.121 -8.469 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.721 7.262 -8.435 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.871 6.105 -7.203 1.00 0.00 C ATOM 0 H VAL A 85 2.799 4.566 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 85 3.203 7.130 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 85 5.265 5.182 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.348 7.168 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.346 7.223 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.191 8.214 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.523 6.026 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.292 7.026 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.194 5.251 -7.228 1.00 0.00 H new ATOM 1326 N GLY A 86 5.499 5.302 -11.190 1.00 0.00 N ATOM 1327 CA GLY A 86 6.378 5.294 -12.345 1.00 0.00 C ATOM 1328 C GLY A 86 5.754 5.964 -13.553 1.00 0.00 C ATOM 1329 O GLY A 86 6.448 6.607 -14.340 1.00 0.00 O ATOM 0 H GLY A 86 5.559 4.472 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.309 5.801 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.634 4.265 -12.596 1.00 0.00 H new ATOM 1333 N GLU A 87 4.441 5.814 -13.700 1.00 0.00 N ATOM 1334 CA GLU A 87 3.726 6.408 -14.823 1.00 0.00 C ATOM 1335 C GLU A 87 3.349 7.856 -14.522 1.00 0.00 C ATOM 1336 O GLU A 87 3.735 8.774 -15.248 1.00 0.00 O ATOM 1337 CB GLU A 87 2.467 5.599 -15.141 1.00 0.00 C ATOM 1338 CG GLU A 87 2.590 4.123 -14.795 1.00 0.00 C ATOM 1339 CD GLU A 87 3.855 3.497 -15.348 1.00 0.00 C ATOM 1340 OE1 GLU A 87 4.178 3.756 -16.527 1.00 0.00 O ATOM 1341 OE2 GLU A 87 4.522 2.749 -14.604 1.00 0.00 O ATOM 0 H GLU A 87 3.852 5.287 -13.056 1.00 0.00 H new ATOM 0 HA GLU A 87 4.387 6.394 -15.690 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.625 6.023 -14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.240 5.697 -16.203 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.575 4.005 -13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.724 3.589 -15.186 1.00 0.00 H new ATOM 1348 N LEU A 88 2.593 8.053 -13.448 1.00 0.00 N ATOM 1349 CA LEU A 88 2.163 9.389 -13.050 1.00 0.00 C ATOM 1350 C LEU A 88 3.264 10.414 -13.302 1.00 0.00 C ATOM 1351 O LEU A 88 3.008 11.498 -13.825 1.00 0.00 O ATOM 1352 CB LEU A 88 1.768 9.401 -11.572 1.00 0.00 C ATOM 1353 CG LEU A 88 0.861 8.259 -11.110 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.556 8.387 -9.627 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.426 8.239 -11.922 1.00 0.00 C ATOM 0 H LEU A 88 2.265 7.305 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 88 1.296 9.659 -13.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.678 9.380 -10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.267 10.345 -11.358 1.00 0.00 H new ATOM 0 HG LEU A 88 1.384 7.316 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.090 7.566 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.486 8.351 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.053 9.336 -9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.059 7.420 -11.580 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.953 9.184 -11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.189 8.098 -12.976 1.00 0.00 H new