USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 57 THR OG1 : rot -109:sc= 0.11 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.793 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 59:sc= -0.0308 USER MOD Single : A 26 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.86) USER MOD Single : A 27 SER OG : rot 55:sc= 0.995 USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.201 USER MOD Single : A 35 GLN : amide:sc= -5.95! K(o=-6!,f=-3.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.43 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.44) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -148:sc= -0.128 (180deg=-0.469) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 23:sc= 0.404 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -139:sc= 0.34 (180deg=-0.0299) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.173 15.460 3.901 1.00 0.00 N ATOM 118 CA PRO A 12 5.389 14.362 3.328 1.00 0.00 C ATOM 119 C PRO A 12 5.228 13.197 4.298 1.00 0.00 C ATOM 120 O PRO A 12 6.208 12.569 4.697 1.00 0.00 O ATOM 121 CB PRO A 12 6.213 13.934 2.111 1.00 0.00 C ATOM 122 CG PRO A 12 7.609 14.341 2.437 1.00 0.00 C ATOM 123 CD PRO A 12 7.494 15.593 3.262 1.00 0.00 C ATOM 0 HA PRO A 12 4.373 14.672 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.143 12.859 1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.860 14.422 1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.125 13.556 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.184 14.523 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.293 15.662 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.553 16.489 2.644 1.00 0.00 H new ATOM 131 N ARG A 13 3.985 12.914 4.674 1.00 0.00 N ATOM 132 CA ARG A 13 3.696 11.824 5.598 1.00 0.00 C ATOM 133 C ARG A 13 2.564 10.948 5.069 1.00 0.00 C ATOM 134 O ARG A 13 1.454 11.425 4.833 1.00 0.00 O ATOM 135 CB ARG A 13 3.325 12.379 6.975 1.00 0.00 C ATOM 136 CG ARG A 13 2.861 11.315 7.956 1.00 0.00 C ATOM 137 CD ARG A 13 3.114 11.736 9.395 1.00 0.00 C ATOM 138 NE ARG A 13 2.316 10.961 10.341 1.00 0.00 N ATOM 139 CZ ARG A 13 2.545 10.937 11.649 1.00 0.00 C ATOM 140 NH1 ARG A 13 3.543 11.641 12.164 1.00 0.00 N ATOM 141 NH2 ARG A 13 1.774 10.207 12.445 1.00 0.00 N ATOM 0 H ARG A 13 3.162 13.424 4.353 1.00 0.00 H new ATOM 0 HA ARG A 13 4.593 11.212 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.189 12.895 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.536 13.122 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.797 11.126 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.382 10.379 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.172 11.614 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.883 12.795 9.509 1.00 0.00 H new ATOM 0 HE ARG A 13 1.540 10.408 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.138 12.203 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.716 11.620 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.005 9.664 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.950 10.189 13.449 1.00 0.00 H new ATOM 155 N PHE A 14 2.853 9.664 4.885 1.00 0.00 N ATOM 156 CA PHE A 14 1.861 8.721 4.383 1.00 0.00 C ATOM 157 C PHE A 14 0.581 8.785 5.212 1.00 0.00 C ATOM 158 O PHE A 14 0.604 9.178 6.377 1.00 0.00 O ATOM 159 CB PHE A 14 2.423 7.298 4.401 1.00 0.00 C ATOM 160 CG PHE A 14 3.553 7.087 3.435 1.00 0.00 C ATOM 161 CD1 PHE A 14 4.860 7.358 3.807 1.00 0.00 C ATOM 162 CD2 PHE A 14 3.308 6.619 2.154 1.00 0.00 C ATOM 163 CE1 PHE A 14 5.902 7.165 2.920 1.00 0.00 C ATOM 164 CE2 PHE A 14 4.346 6.424 1.263 1.00 0.00 C ATOM 165 CZ PHE A 14 5.645 6.698 1.646 1.00 0.00 C ATOM 0 H PHE A 14 3.767 9.253 5.076 1.00 0.00 H new ATOM 0 HA PHE A 14 1.622 8.997 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.769 7.065 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.622 6.597 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.067 7.724 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.295 6.404 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.916 7.379 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.142 6.058 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.458 6.547 0.951 1.00 0.00 H new ATOM 175 N GLU A 15 -0.533 8.397 4.600 1.00 0.00 N ATOM 176 CA GLU A 15 -1.823 8.412 5.281 1.00 0.00 C ATOM 177 C GLU A 15 -1.875 7.345 6.370 1.00 0.00 C ATOM 178 O GLU A 15 -2.398 7.579 7.460 1.00 0.00 O ATOM 179 CB GLU A 15 -2.957 8.188 4.278 1.00 0.00 C ATOM 180 CG GLU A 15 -3.074 9.288 3.236 1.00 0.00 C ATOM 181 CD GLU A 15 -4.478 9.418 2.680 1.00 0.00 C ATOM 182 OE1 GLU A 15 -5.436 9.067 3.401 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.620 9.870 1.524 1.00 0.00 O ATOM 0 H GLU A 15 -0.569 8.069 3.635 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.948 9.389 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.800 7.235 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.900 8.110 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.774 10.237 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.381 9.085 2.419 1.00 0.00 H new ATOM 190 N LYS A 16 -1.330 6.171 6.068 1.00 0.00 N ATOM 191 CA LYS A 16 -1.313 5.067 7.020 1.00 0.00 C ATOM 192 C LYS A 16 0.114 4.738 7.445 1.00 0.00 C ATOM 193 O LYS A 16 0.963 4.421 6.612 1.00 0.00 O ATOM 194 CB LYS A 16 -1.972 3.829 6.408 1.00 0.00 C ATOM 195 CG LYS A 16 -3.295 4.121 5.720 1.00 0.00 C ATOM 196 CD LYS A 16 -3.744 2.954 4.857 1.00 0.00 C ATOM 197 CE LYS A 16 -3.194 3.063 3.443 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.936 2.192 2.490 1.00 0.00 N ATOM 0 H LYS A 16 -0.894 5.960 5.170 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.875 5.372 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.288 3.383 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.135 3.090 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.057 4.334 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.196 5.014 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.412 2.018 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.833 2.922 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.253 4.099 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.139 2.787 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.531 2.295 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.859 1.200 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.938 2.471 2.472 1.00 0.00 H new ATOM 212 N SER A 17 0.371 4.814 8.747 1.00 0.00 N ATOM 213 CA SER A 17 1.697 4.526 9.283 1.00 0.00 C ATOM 214 C SER A 17 2.235 3.213 8.724 1.00 0.00 C ATOM 215 O SER A 17 3.389 3.130 8.304 1.00 0.00 O ATOM 216 CB SER A 17 1.650 4.463 10.811 1.00 0.00 C ATOM 217 OG SER A 17 1.192 5.687 11.358 1.00 0.00 O ATOM 0 H SER A 17 -0.321 5.072 9.450 1.00 0.00 H new ATOM 0 HA SER A 17 2.367 5.331 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.992 3.652 11.125 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.643 4.236 11.199 1.00 0.00 H new ATOM 0 HG SER A 17 1.169 5.620 12.335 1.00 0.00 H new ATOM 223 N VAL A 18 1.390 2.187 8.723 1.00 0.00 N ATOM 224 CA VAL A 18 1.778 0.876 8.216 1.00 0.00 C ATOM 225 C VAL A 18 0.826 0.406 7.122 1.00 0.00 C ATOM 226 O VAL A 18 -0.311 0.021 7.397 1.00 0.00 O ATOM 227 CB VAL A 18 1.809 -0.175 9.341 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.251 -1.525 8.799 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.722 0.280 10.470 1.00 0.00 C ATOM 0 H VAL A 18 0.431 2.238 9.068 1.00 0.00 H new ATOM 0 HA VAL A 18 2.780 0.982 7.801 1.00 0.00 H new ATOM 0 HB VAL A 18 0.801 -0.283 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.267 -2.255 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.554 -1.853 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.250 -1.436 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.732 -0.475 11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.733 0.418 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.356 1.223 10.876 1.00 0.00 H new ATOM 239 N TYR A 19 1.298 0.439 5.881 1.00 0.00 N ATOM 240 CA TYR A 19 0.488 0.017 4.744 1.00 0.00 C ATOM 241 C TYR A 19 0.344 -1.501 4.710 1.00 0.00 C ATOM 242 O TYR A 19 1.195 -2.203 4.165 1.00 0.00 O ATOM 243 CB TYR A 19 1.110 0.511 3.437 1.00 0.00 C ATOM 244 CG TYR A 19 0.645 1.891 3.028 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.732 2.964 3.906 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.119 2.121 1.763 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.308 4.225 3.537 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.307 3.380 1.384 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.211 4.428 2.275 1.00 0.00 C ATOM 250 OH TYR A 19 -0.633 5.684 1.903 1.00 0.00 O ATOM 0 H TYR A 19 2.237 0.753 5.637 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.504 0.455 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.195 0.518 3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.871 -0.194 2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.138 2.809 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.042 1.302 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.382 5.048 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.713 3.542 0.396 1.00 0.00 H new ATOM 0 HH TYR A 19 0.116 6.313 1.967 1.00 0.00 H new ATOM 260 N GLU A 20 -0.739 -2.000 5.297 1.00 0.00 N ATOM 261 CA GLU A 20 -0.995 -3.435 5.335 1.00 0.00 C ATOM 262 C GLU A 20 -1.919 -3.853 4.195 1.00 0.00 C ATOM 263 O GLU A 20 -3.120 -3.589 4.228 1.00 0.00 O ATOM 264 CB GLU A 20 -1.612 -3.831 6.678 1.00 0.00 C ATOM 265 CG GLU A 20 -1.296 -5.257 7.097 1.00 0.00 C ATOM 266 CD GLU A 20 -1.426 -5.468 8.593 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.546 -5.306 9.120 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.406 -5.795 9.235 1.00 0.00 O ATOM 0 H GLU A 20 -1.453 -1.432 5.753 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.042 -3.951 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.254 -3.147 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.694 -3.709 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.967 -5.941 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.282 -5.507 6.785 1.00 0.00 H new ATOM 275 N ALA A 21 -1.348 -4.506 3.188 1.00 0.00 N ATOM 276 CA ALA A 21 -2.120 -4.962 2.038 1.00 0.00 C ATOM 277 C ALA A 21 -2.041 -6.478 1.891 1.00 0.00 C ATOM 278 O ALA A 21 -1.018 -7.089 2.199 1.00 0.00 O ATOM 279 CB ALA A 21 -1.630 -4.280 0.770 1.00 0.00 C ATOM 0 H ALA A 21 -0.354 -4.731 3.145 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.164 -4.693 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.215 -4.630 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.744 -3.201 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.579 -4.520 0.611 1.00 0.00 H new ATOM 285 N ASP A 22 -3.127 -7.078 1.417 1.00 0.00 N ATOM 286 CA ASP A 22 -3.181 -8.524 1.228 1.00 0.00 C ATOM 287 C ASP A 22 -2.752 -8.903 -0.186 1.00 0.00 C ATOM 288 O ASP A 22 -3.542 -8.822 -1.128 1.00 0.00 O ATOM 289 CB ASP A 22 -4.593 -9.043 1.503 1.00 0.00 C ATOM 290 CG ASP A 22 -4.884 -9.170 2.986 1.00 0.00 C ATOM 291 OD1 ASP A 22 -4.388 -10.133 3.608 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.608 -8.307 3.524 1.00 0.00 O ATOM 0 H ASP A 22 -3.982 -6.586 1.156 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.490 -8.985 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.320 -8.369 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.719 -10.015 1.026 1.00 0.00 H new ATOM 297 N LEU A 23 -1.497 -9.315 -0.327 1.00 0.00 N ATOM 298 CA LEU A 23 -0.963 -9.706 -1.627 1.00 0.00 C ATOM 299 C LEU A 23 -1.178 -11.195 -1.879 1.00 0.00 C ATOM 300 O LEU A 23 -0.787 -12.034 -1.069 1.00 0.00 O ATOM 301 CB LEU A 23 0.528 -9.373 -1.708 1.00 0.00 C ATOM 302 CG LEU A 23 1.114 -9.255 -3.116 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.388 -10.632 -3.698 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.175 -8.468 -4.019 1.00 0.00 C ATOM 0 H LEU A 23 -0.831 -9.387 0.442 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.497 -9.146 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.699 -8.432 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.081 -10.142 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 23 2.060 -8.717 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.804 -10.527 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.099 -11.161 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.457 -11.197 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.607 -8.394 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.786 -8.978 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.031 -7.468 -3.611 1.00 0.00 H new ATOM 316 N ALA A 24 -1.801 -11.515 -3.009 1.00 0.00 N ATOM 317 CA ALA A 24 -2.064 -12.902 -3.369 1.00 0.00 C ATOM 318 C ALA A 24 -0.795 -13.592 -3.860 1.00 0.00 C ATOM 319 O ALA A 24 -0.201 -13.182 -4.856 1.00 0.00 O ATOM 320 CB ALA A 24 -3.150 -12.974 -4.432 1.00 0.00 C ATOM 0 H ALA A 24 -2.133 -10.832 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.408 -13.424 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.336 -14.016 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.066 -12.526 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.826 -12.431 -5.320 1.00 0.00 H new ATOM 326 N GLU A 25 -0.386 -14.641 -3.152 1.00 0.00 N ATOM 327 CA GLU A 25 0.814 -15.386 -3.516 1.00 0.00 C ATOM 328 C GLU A 25 0.875 -15.616 -5.023 1.00 0.00 C ATOM 329 O GLU A 25 1.954 -15.656 -5.612 1.00 0.00 O ATOM 330 CB GLU A 25 0.849 -16.728 -2.782 1.00 0.00 C ATOM 331 CG GLU A 25 -0.283 -17.664 -3.169 1.00 0.00 C ATOM 332 CD GLU A 25 0.026 -18.468 -4.417 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.144 -18.324 -4.953 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.850 -19.241 -4.857 1.00 0.00 O ATOM 0 H GLU A 25 -0.867 -14.993 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 25 1.681 -14.796 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.801 -17.219 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.808 -16.546 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.484 -18.346 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.191 -17.083 -3.331 1.00 0.00 H new ATOM 341 N ASN A 26 -0.292 -15.767 -5.641 1.00 0.00 N ATOM 342 CA ASN A 26 -0.372 -15.995 -7.079 1.00 0.00 C ATOM 343 C ASN A 26 -0.336 -14.674 -7.842 1.00 0.00 C ATOM 344 O ASN A 26 -0.899 -14.558 -8.930 1.00 0.00 O ATOM 345 CB ASN A 26 -1.650 -16.761 -7.425 1.00 0.00 C ATOM 346 CG ASN A 26 -1.729 -17.120 -8.896 1.00 0.00 C ATOM 347 OD1 ASN A 26 -0.802 -17.708 -9.454 1.00 0.00 O ATOM 348 ND2 ASN A 26 -2.839 -16.766 -9.533 1.00 0.00 N ATOM 0 H ASN A 26 -1.195 -15.736 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 26 0.492 -16.590 -7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.697 -17.672 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.516 -16.158 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.949 -16.980 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.582 -16.280 -9.031 1.00 0.00 H new ATOM 355 N SER A 27 0.331 -13.680 -7.262 1.00 0.00 N ATOM 356 CA SER A 27 0.438 -12.366 -7.885 1.00 0.00 C ATOM 357 C SER A 27 1.487 -12.375 -8.993 1.00 0.00 C ATOM 358 O SER A 27 2.683 -12.494 -8.729 1.00 0.00 O ATOM 359 CB SER A 27 0.794 -11.309 -6.838 1.00 0.00 C ATOM 360 OG SER A 27 -0.341 -10.950 -6.070 1.00 0.00 O ATOM 0 H SER A 27 0.805 -13.760 -6.362 1.00 0.00 H new ATOM 0 HA SER A 27 -0.528 -12.119 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.575 -11.692 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.197 -10.425 -7.332 1.00 0.00 H new ATOM 0 HG SER A 27 -0.741 -11.756 -5.681 1.00 0.00 H new ATOM 366 N ALA A 28 1.029 -12.247 -10.234 1.00 0.00 N ATOM 367 CA ALA A 28 1.927 -12.237 -11.382 1.00 0.00 C ATOM 368 C ALA A 28 3.095 -11.284 -11.158 1.00 0.00 C ATOM 369 O ALA A 28 3.108 -10.489 -10.218 1.00 0.00 O ATOM 370 CB ALA A 28 1.166 -11.855 -12.644 1.00 0.00 C ATOM 0 H ALA A 28 0.042 -12.149 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 28 2.331 -13.242 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.849 -11.851 -13.494 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.370 -12.578 -12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.734 -10.862 -12.522 1.00 0.00 H new ATOM 376 N PRO A 29 4.103 -11.363 -12.040 1.00 0.00 N ATOM 377 CA PRO A 29 5.295 -10.515 -11.958 1.00 0.00 C ATOM 378 C PRO A 29 4.992 -9.057 -12.287 1.00 0.00 C ATOM 379 O PRO A 29 5.895 -8.222 -12.342 1.00 0.00 O ATOM 380 CB PRO A 29 6.232 -11.116 -13.009 1.00 0.00 C ATOM 381 CG PRO A 29 5.326 -11.786 -13.984 1.00 0.00 C ATOM 382 CD PRO A 29 4.155 -12.288 -13.185 1.00 0.00 C ATOM 0 HA PRO A 29 5.715 -10.499 -10.952 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.832 -10.345 -13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.926 -11.827 -12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.001 -11.089 -14.757 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.835 -12.607 -14.489 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.232 -12.263 -13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.301 -13.319 -12.863 1.00 0.00 H new ATOM 390 N GLY A 30 3.715 -8.756 -12.505 1.00 0.00 N ATOM 391 CA GLY A 30 3.317 -7.398 -12.825 1.00 0.00 C ATOM 392 C GLY A 30 1.948 -7.050 -12.274 1.00 0.00 C ATOM 393 O GLY A 30 1.199 -6.288 -12.886 1.00 0.00 O ATOM 0 H GLY A 30 2.949 -9.429 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.054 -6.703 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.313 -7.269 -13.907 1.00 0.00 H new ATOM 397 N THR A 31 1.618 -7.612 -11.115 1.00 0.00 N ATOM 398 CA THR A 31 0.330 -7.359 -10.482 1.00 0.00 C ATOM 399 C THR A 31 0.403 -6.160 -9.545 1.00 0.00 C ATOM 400 O THR A 31 1.362 -5.987 -8.792 1.00 0.00 O ATOM 401 CB THR A 31 -0.157 -8.587 -9.690 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.250 -9.724 -10.556 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.512 -8.317 -9.053 1.00 0.00 C ATOM 0 H THR A 31 2.226 -8.246 -10.596 1.00 0.00 H new ATOM 0 HA THR A 31 -0.379 -7.147 -11.282 1.00 0.00 H new ATOM 0 HB THR A 31 0.565 -8.791 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.841 -10.394 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.836 -9.198 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.432 -7.470 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.241 -8.090 -9.831 1.00 0.00 H new ATOM 411 N PRO A 32 -0.633 -5.309 -9.588 1.00 0.00 N ATOM 412 CA PRO A 32 -0.710 -4.111 -8.747 1.00 0.00 C ATOM 413 C PRO A 32 -0.923 -4.449 -7.276 1.00 0.00 C ATOM 414 O PRO A 32 -1.583 -5.433 -6.944 1.00 0.00 O ATOM 415 CB PRO A 32 -1.924 -3.363 -9.305 1.00 0.00 C ATOM 416 CG PRO A 32 -2.767 -4.421 -9.929 1.00 0.00 C ATOM 417 CD PRO A 32 -1.810 -5.452 -10.462 1.00 0.00 C ATOM 0 HA PRO A 32 0.214 -3.533 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.464 -2.841 -8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.625 -2.613 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.447 -4.860 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.382 -4.009 -10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.230 -6.456 -10.409 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.560 -5.266 -11.507 1.00 0.00 H new ATOM 425 N ILE A 33 -0.359 -3.626 -6.398 1.00 0.00 N ATOM 426 CA ILE A 33 -0.489 -3.837 -4.961 1.00 0.00 C ATOM 427 C ILE A 33 -1.275 -2.705 -4.308 1.00 0.00 C ATOM 428 O ILE A 33 -2.397 -2.902 -3.840 1.00 0.00 O ATOM 429 CB ILE A 33 0.888 -3.950 -4.282 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.702 -5.080 -4.915 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.724 -4.180 -2.787 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.149 -5.104 -4.472 1.00 0.00 C ATOM 0 H ILE A 33 0.192 -2.807 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.029 -4.775 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 33 1.427 -3.014 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.238 -6.035 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.664 -4.981 -6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.706 -4.258 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.179 -3.344 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.169 -5.103 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.665 -5.931 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.629 -4.164 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.196 -5.235 -3.391 1.00 0.00 H new ATOM 444 N LEU A 34 -0.679 -1.518 -4.280 1.00 0.00 N ATOM 445 CA LEU A 34 -1.323 -0.352 -3.686 1.00 0.00 C ATOM 446 C LEU A 34 -0.676 0.938 -4.179 1.00 0.00 C ATOM 447 O LEU A 34 0.370 0.910 -4.827 1.00 0.00 O ATOM 448 CB LEU A 34 -1.245 -0.424 -2.160 1.00 0.00 C ATOM 449 CG LEU A 34 0.155 -0.577 -1.566 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.866 0.767 -1.519 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.081 -1.191 -0.175 1.00 0.00 C ATOM 0 H LEU A 34 0.249 -1.338 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.370 -0.351 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.695 0.480 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.854 -1.263 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 34 0.728 -1.246 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.861 0.638 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.953 1.168 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.294 1.460 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.087 -1.292 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.511 -0.547 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.387 -2.174 -0.235 1.00 0.00 H new ATOM 463 N GLN A 35 -1.303 2.067 -3.864 1.00 0.00 N ATOM 464 CA GLN A 35 -0.787 3.367 -4.275 1.00 0.00 C ATOM 465 C GLN A 35 -0.332 4.178 -3.066 1.00 0.00 C ATOM 466 O GLN A 35 -1.124 4.479 -2.172 1.00 0.00 O ATOM 467 CB GLN A 35 -1.854 4.142 -5.050 1.00 0.00 C ATOM 468 CG GLN A 35 -1.496 5.600 -5.287 1.00 0.00 C ATOM 469 CD GLN A 35 -2.164 6.172 -6.521 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.372 6.025 -6.713 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.381 6.830 -7.368 1.00 0.00 N ATOM 0 H GLN A 35 -2.169 2.107 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 35 0.073 3.200 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.017 3.656 -6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.796 4.092 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.786 6.188 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.415 5.693 -5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.385 6.928 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.775 7.237 -8.216 1.00 0.00 H new ATOM 480 N LEU A 36 0.949 4.529 -3.044 1.00 0.00 N ATOM 481 CA LEU A 36 1.511 5.305 -1.944 1.00 0.00 C ATOM 482 C LEU A 36 1.007 6.744 -1.980 1.00 0.00 C ATOM 483 O LEU A 36 1.423 7.537 -2.825 1.00 0.00 O ATOM 484 CB LEU A 36 3.039 5.286 -2.008 1.00 0.00 C ATOM 485 CG LEU A 36 3.729 4.151 -1.251 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.286 2.801 -1.793 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.242 4.293 -1.338 1.00 0.00 C ATOM 0 H LEU A 36 1.618 4.289 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 36 1.187 4.849 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.338 5.232 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.411 6.234 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 36 3.439 4.211 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.788 2.005 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.207 2.699 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.545 2.730 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.716 3.476 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.551 4.260 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.544 5.244 -0.900 1.00 0.00 H new ATOM 499 N ARG A 37 0.111 7.076 -1.056 1.00 0.00 N ATOM 500 CA ARG A 37 -0.448 8.420 -0.982 1.00 0.00 C ATOM 501 C ARG A 37 0.020 9.135 0.282 1.00 0.00 C ATOM 502 O ARG A 37 -0.195 8.655 1.395 1.00 0.00 O ATOM 503 CB ARG A 37 -1.977 8.361 -1.010 1.00 0.00 C ATOM 504 CG ARG A 37 -2.558 7.222 -0.189 1.00 0.00 C ATOM 505 CD ARG A 37 -4.078 7.219 -0.237 1.00 0.00 C ATOM 506 NE ARG A 37 -4.582 6.865 -1.561 1.00 0.00 N ATOM 507 CZ ARG A 37 -5.839 6.503 -1.796 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.713 6.448 -0.801 1.00 0.00 N ATOM 509 NH2 ARG A 37 -6.222 6.195 -3.029 1.00 0.00 N ATOM 0 H ARG A 37 -0.243 6.432 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.096 8.981 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.375 9.305 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.309 8.259 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.179 6.271 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.226 7.311 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.463 6.512 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.452 8.204 0.042 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.934 6.897 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.421 6.684 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.677 6.170 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.551 6.236 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.187 5.917 -3.209 1.00 0.00 H new ATOM 697 N TYR A 51 8.528 8.532 -4.533 1.00 0.00 N ATOM 698 CA TYR A 51 8.443 7.361 -3.669 1.00 0.00 C ATOM 699 C TYR A 51 9.464 6.305 -4.080 1.00 0.00 C ATOM 700 O TYR A 51 9.397 5.753 -5.178 1.00 0.00 O ATOM 701 CB TYR A 51 7.033 6.769 -3.715 1.00 0.00 C ATOM 702 CG TYR A 51 5.939 7.794 -3.526 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.491 8.565 -4.591 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.353 7.993 -2.282 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.492 9.504 -4.423 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.352 8.929 -2.105 1.00 0.00 C ATOM 707 CZ TYR A 51 3.925 9.682 -3.178 1.00 0.00 C ATOM 708 OH TYR A 51 2.929 10.616 -3.005 1.00 0.00 O ATOM 0 HA TYR A 51 8.665 7.676 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.889 6.269 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.943 6.007 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.931 8.428 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.686 7.406 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.157 10.096 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.907 9.070 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 51 2.638 10.614 -2.069 1.00 0.00 H new ATOM 718 N VAL A 52 10.411 6.029 -3.188 1.00 0.00 N ATOM 719 CA VAL A 52 11.447 5.038 -3.456 1.00 0.00 C ATOM 720 C VAL A 52 11.533 4.015 -2.328 1.00 0.00 C ATOM 721 O VAL A 52 10.785 4.086 -1.353 1.00 0.00 O ATOM 722 CB VAL A 52 12.825 5.702 -3.639 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.815 6.628 -4.845 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.223 6.456 -2.379 1.00 0.00 C ATOM 0 H VAL A 52 10.482 6.477 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 52 11.170 4.532 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 52 13.565 4.922 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.797 7.088 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.577 6.055 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.065 7.405 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.199 6.919 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.483 7.228 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.273 5.762 -1.540 1.00 0.00 H new ATOM 734 N PHE A 53 12.452 3.065 -2.468 1.00 0.00 N ATOM 735 CA PHE A 53 12.636 2.026 -1.461 1.00 0.00 C ATOM 736 C PHE A 53 13.502 2.532 -0.310 1.00 0.00 C ATOM 737 O PHE A 53 14.671 2.864 -0.498 1.00 0.00 O ATOM 738 CB PHE A 53 13.276 0.786 -2.088 1.00 0.00 C ATOM 739 CG PHE A 53 12.277 -0.183 -2.654 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.413 -0.874 -1.819 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.202 -0.402 -4.020 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.492 -1.766 -2.337 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.283 -1.292 -4.543 1.00 0.00 C ATOM 744 CZ PHE A 53 10.428 -1.976 -3.700 1.00 0.00 C ATOM 0 H PHE A 53 13.080 2.993 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 53 11.656 1.760 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.956 1.099 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.877 0.277 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.460 -0.714 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.869 0.129 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.824 -2.298 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.233 -1.453 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.711 -2.674 -4.107 1.00 0.00 H new ATOM 754 N GLY A 54 12.916 2.588 0.882 1.00 0.00 N ATOM 755 CA GLY A 54 13.647 3.055 2.046 1.00 0.00 C ATOM 756 C GLY A 54 14.456 1.953 2.703 1.00 0.00 C ATOM 757 O GLY A 54 15.476 1.520 2.169 1.00 0.00 O ATOM 0 H GLY A 54 11.949 2.319 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.314 3.865 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.945 3.468 2.771 1.00 0.00 H new ATOM 761 N ALA A 55 13.999 1.501 3.866 1.00 0.00 N ATOM 762 CA ALA A 55 14.687 0.443 4.597 1.00 0.00 C ATOM 763 C ALA A 55 14.268 -0.934 4.093 1.00 0.00 C ATOM 764 O ALA A 55 14.053 -1.855 4.881 1.00 0.00 O ATOM 765 CB ALA A 55 14.412 0.567 6.088 1.00 0.00 C ATOM 0 H ALA A 55 13.156 1.850 4.322 1.00 0.00 H new ATOM 0 HA ALA A 55 15.758 0.554 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.932 -0.229 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.767 1.534 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.340 0.485 6.268 1.00 0.00 H new ATOM 771 N ALA A 56 14.154 -1.067 2.776 1.00 0.00 N ATOM 772 CA ALA A 56 13.762 -2.332 2.167 1.00 0.00 C ATOM 773 C ALA A 56 14.985 -3.154 1.772 1.00 0.00 C ATOM 774 O ALA A 56 16.105 -2.644 1.743 1.00 0.00 O ATOM 775 CB ALA A 56 12.877 -2.083 0.954 1.00 0.00 C ATOM 0 H ALA A 56 14.328 -0.314 2.110 1.00 0.00 H new ATOM 0 HA ALA A 56 13.197 -2.901 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.592 -3.037 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.981 -1.544 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.423 -1.490 0.221 1.00 0.00 H new ATOM 781 N THR A 57 14.763 -4.429 1.470 1.00 0.00 N ATOM 782 CA THR A 57 15.846 -5.321 1.079 1.00 0.00 C ATOM 783 C THR A 57 15.819 -5.596 -0.421 1.00 0.00 C ATOM 784 O THR A 57 14.755 -5.606 -1.039 1.00 0.00 O ATOM 785 CB THR A 57 15.772 -6.661 1.835 1.00 0.00 C ATOM 786 OG1 THR A 57 16.746 -7.573 1.315 1.00 0.00 O ATOM 787 CG2 THR A 57 14.384 -7.272 1.719 1.00 0.00 C ATOM 0 H THR A 57 13.842 -4.867 1.489 1.00 0.00 H new ATOM 0 HA THR A 57 16.777 -4.817 1.337 1.00 0.00 H new ATOM 0 HB THR A 57 15.981 -6.470 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.294 -8.287 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.356 -8.217 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.649 -6.589 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.151 -7.448 0.669 1.00 0.00 H new ATOM 795 N GLU A 58 16.995 -5.818 -0.999 1.00 0.00 N ATOM 796 CA GLU A 58 17.104 -6.092 -2.427 1.00 0.00 C ATOM 797 C GLU A 58 16.020 -7.067 -2.878 1.00 0.00 C ATOM 798 O GLU A 58 15.296 -6.805 -3.839 1.00 0.00 O ATOM 799 CB GLU A 58 18.486 -6.662 -2.755 1.00 0.00 C ATOM 800 CG GLU A 58 19.582 -5.611 -2.804 1.00 0.00 C ATOM 801 CD GLU A 58 19.749 -5.006 -4.184 1.00 0.00 C ATOM 802 OE1 GLU A 58 19.999 -5.770 -5.140 1.00 0.00 O ATOM 803 OE2 GLU A 58 19.629 -3.769 -4.308 1.00 0.00 O ATOM 0 H GLU A 58 17.885 -5.814 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 58 16.969 -5.152 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.747 -7.412 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.440 -7.172 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.354 -4.820 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 58 20.525 -6.060 -2.492 1.00 0.00 H new ATOM 810 N SER A 59 15.914 -8.191 -2.177 1.00 0.00 N ATOM 811 CA SER A 59 14.921 -9.207 -2.507 1.00 0.00 C ATOM 812 C SER A 59 13.571 -8.567 -2.818 1.00 0.00 C ATOM 813 O SER A 59 12.964 -8.843 -3.852 1.00 0.00 O ATOM 814 CB SER A 59 14.773 -10.200 -1.353 1.00 0.00 C ATOM 815 OG SER A 59 14.704 -9.528 -0.108 1.00 0.00 O ATOM 0 H SER A 59 16.503 -8.421 -1.377 1.00 0.00 H new ATOM 0 HA SER A 59 15.264 -9.740 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.873 -10.798 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.617 -10.889 -1.352 1.00 0.00 H new ATOM 0 HG SER A 59 14.608 -10.185 0.613 1.00 0.00 H new ATOM 821 N VAL A 60 13.108 -7.709 -1.914 1.00 0.00 N ATOM 822 CA VAL A 60 11.831 -7.028 -2.091 1.00 0.00 C ATOM 823 C VAL A 60 11.855 -6.125 -3.319 1.00 0.00 C ATOM 824 O VAL A 60 10.832 -5.923 -3.973 1.00 0.00 O ATOM 825 CB VAL A 60 11.470 -6.184 -0.854 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.233 -5.341 -1.125 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.260 -7.078 0.358 1.00 0.00 C ATOM 0 H VAL A 60 13.598 -7.469 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 60 11.076 -7.802 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 60 12.300 -5.510 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.993 -4.752 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.425 -4.673 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.393 -5.993 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.006 -6.465 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.448 -7.778 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.175 -7.633 0.563 1.00 0.00 H new ATOM 837 N ARG A 61 13.030 -5.585 -3.627 1.00 0.00 N ATOM 838 CA ARG A 61 13.187 -4.703 -4.778 1.00 0.00 C ATOM 839 C ARG A 61 13.115 -5.492 -6.082 1.00 0.00 C ATOM 840 O ARG A 61 12.478 -5.064 -7.044 1.00 0.00 O ATOM 841 CB ARG A 61 14.519 -3.955 -4.694 1.00 0.00 C ATOM 842 CG ARG A 61 14.632 -3.046 -3.481 1.00 0.00 C ATOM 843 CD ARG A 61 16.014 -2.421 -3.381 1.00 0.00 C ATOM 844 NE ARG A 61 16.247 -1.435 -4.433 1.00 0.00 N ATOM 845 CZ ARG A 61 17.213 -0.524 -4.387 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.031 -0.474 -3.345 1.00 0.00 N ATOM 847 NH2 ARG A 61 17.361 0.338 -5.384 1.00 0.00 N ATOM 0 H ARG A 61 13.887 -5.743 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 61 12.370 -3.981 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.332 -4.680 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.649 -3.359 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.879 -2.260 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.423 -3.617 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.127 -1.945 -2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.771 -3.203 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 61 15.634 -1.446 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.919 -1.136 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.772 0.226 -3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.733 0.302 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.103 1.037 -5.348 1.00 0.00 H new ATOM 861 N ARG A 62 13.774 -6.646 -6.106 1.00 0.00 N ATOM 862 CA ARG A 62 13.786 -7.494 -7.292 1.00 0.00 C ATOM 863 C ARG A 62 12.483 -8.280 -7.412 1.00 0.00 C ATOM 864 O ARG A 62 12.131 -8.757 -8.492 1.00 0.00 O ATOM 865 CB ARG A 62 14.973 -8.458 -7.243 1.00 0.00 C ATOM 866 CG ARG A 62 14.924 -9.426 -6.072 1.00 0.00 C ATOM 867 CD ARG A 62 16.130 -10.353 -6.065 1.00 0.00 C ATOM 868 NE ARG A 62 16.462 -10.829 -7.404 1.00 0.00 N ATOM 869 CZ ARG A 62 17.256 -10.171 -8.242 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.796 -9.016 -7.880 1.00 0.00 N ATOM 871 NH2 ARG A 62 17.512 -10.670 -9.445 1.00 0.00 N ATOM 0 H ARG A 62 14.306 -7.015 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 62 13.884 -6.851 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.007 -9.027 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.896 -7.881 -7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.888 -8.867 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.010 -10.017 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.988 -9.829 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.928 -11.206 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 62 16.063 -11.715 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.602 -8.630 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.405 -8.513 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.099 -11.559 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.122 -10.164 -10.088 1.00 0.00 H new ATOM 885 N LEU A 63 11.773 -8.410 -6.298 1.00 0.00 N ATOM 886 CA LEU A 63 10.509 -9.138 -6.278 1.00 0.00 C ATOM 887 C LEU A 63 9.327 -8.182 -6.403 1.00 0.00 C ATOM 888 O LEU A 63 8.229 -8.582 -6.792 1.00 0.00 O ATOM 889 CB LEU A 63 10.386 -9.952 -4.988 1.00 0.00 C ATOM 890 CG LEU A 63 8.992 -10.489 -4.662 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.597 -11.579 -5.646 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.942 -11.012 -3.235 1.00 0.00 C ATOM 0 H LEU A 63 12.050 -8.021 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 63 10.496 -9.816 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.073 -10.796 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.717 -9.330 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 63 8.278 -9.670 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.602 -11.949 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.592 -11.172 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.314 -12.398 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.942 -11.390 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.667 -11.817 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.180 -10.204 -2.543 1.00 0.00 H new ATOM 904 N LEU A 64 9.560 -6.916 -6.073 1.00 0.00 N ATOM 905 CA LEU A 64 8.515 -5.901 -6.150 1.00 0.00 C ATOM 906 C LEU A 64 9.066 -4.596 -6.717 1.00 0.00 C ATOM 907 O LEU A 64 10.174 -4.180 -6.380 1.00 0.00 O ATOM 908 CB LEU A 64 7.912 -5.655 -4.766 1.00 0.00 C ATOM 909 CG LEU A 64 7.370 -6.888 -4.042 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.492 -6.718 -2.536 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.923 -7.145 -4.436 1.00 0.00 C ATOM 0 H LEU A 64 10.463 -6.568 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 64 7.736 -6.266 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.673 -5.194 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.102 -4.933 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 64 7.965 -7.751 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.101 -7.605 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.540 -6.583 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.922 -5.844 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.554 -8.026 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.314 -6.282 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.863 -7.312 -5.512 1.00 0.00 H new ATOM 923 N ARG A 65 8.282 -3.954 -7.577 1.00 0.00 N ATOM 924 CA ARG A 65 8.691 -2.695 -8.190 1.00 0.00 C ATOM 925 C ARG A 65 7.858 -1.534 -7.654 1.00 0.00 C ATOM 926 O ARG A 65 6.640 -1.647 -7.505 1.00 0.00 O ATOM 927 CB ARG A 65 8.554 -2.776 -9.711 1.00 0.00 C ATOM 928 CG ARG A 65 9.170 -1.593 -10.442 1.00 0.00 C ATOM 929 CD ARG A 65 10.687 -1.688 -10.476 1.00 0.00 C ATOM 930 NE ARG A 65 11.271 -0.778 -11.457 1.00 0.00 N ATOM 931 CZ ARG A 65 12.563 -0.476 -11.502 1.00 0.00 C ATOM 932 NH1 ARG A 65 13.403 -1.010 -10.627 1.00 0.00 N ATOM 933 NH2 ARG A 65 13.019 0.361 -12.426 1.00 0.00 N ATOM 0 H ARG A 65 7.361 -4.284 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 65 9.736 -2.518 -7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.025 -3.694 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.497 -2.842 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.784 -1.552 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.873 -0.666 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.087 -1.460 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.981 -2.711 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 65 10.652 -0.351 -12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.057 -1.655 -9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.395 -0.776 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.376 0.773 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.012 0.592 -12.459 1.00 0.00 H new ATOM 947 N LEU A 66 8.521 -0.420 -7.366 1.00 0.00 N ATOM 948 CA LEU A 66 7.842 0.762 -6.847 1.00 0.00 C ATOM 949 C LEU A 66 8.113 1.977 -7.728 1.00 0.00 C ATOM 950 O LEU A 66 9.250 2.223 -8.130 1.00 0.00 O ATOM 951 CB LEU A 66 8.296 1.046 -5.413 1.00 0.00 C ATOM 952 CG LEU A 66 8.096 2.479 -4.918 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.640 2.719 -4.552 1.00 0.00 C ATOM 954 CD2 LEU A 66 9.001 2.762 -3.727 1.00 0.00 C ATOM 0 H LEU A 66 9.528 -0.310 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 66 6.770 0.566 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.760 0.373 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.355 0.799 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 66 8.364 3.163 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.517 3.744 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.013 2.557 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.345 2.028 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.846 3.786 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.764 2.071 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.042 2.631 -4.022 1.00 0.00 H new ATOM 966 N ASP A 67 7.062 2.733 -8.023 1.00 0.00 N ATOM 967 CA ASP A 67 7.186 3.925 -8.854 1.00 0.00 C ATOM 968 C ASP A 67 7.254 5.183 -7.993 1.00 0.00 C ATOM 969 O ASP A 67 6.739 5.211 -6.877 1.00 0.00 O ATOM 970 CB ASP A 67 6.009 4.020 -9.826 1.00 0.00 C ATOM 971 CG ASP A 67 6.282 3.309 -11.137 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.392 3.480 -11.685 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.387 2.582 -11.614 1.00 0.00 O ATOM 0 H ASP A 67 6.114 2.542 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 67 8.112 3.846 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.122 3.590 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.789 5.069 -10.024 1.00 0.00 H new ATOM 978 N GLU A 68 7.895 6.221 -8.521 1.00 0.00 N ATOM 979 CA GLU A 68 8.032 7.481 -7.800 1.00 0.00 C ATOM 980 C GLU A 68 7.245 8.592 -8.491 1.00 0.00 C ATOM 981 O GLU A 68 6.523 9.351 -7.845 1.00 0.00 O ATOM 982 CB GLU A 68 9.506 7.876 -7.693 1.00 0.00 C ATOM 983 CG GLU A 68 10.351 7.395 -8.861 1.00 0.00 C ATOM 984 CD GLU A 68 11.838 7.540 -8.603 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.310 7.046 -7.558 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.531 8.147 -9.447 1.00 0.00 O ATOM 0 H GLU A 68 8.327 6.214 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 68 7.627 7.342 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.579 8.961 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.916 7.471 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.122 6.349 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.084 7.959 -9.755 1.00 0.00 H new ATOM 993 N THR A 69 7.392 8.681 -9.809 1.00 0.00 N ATOM 994 CA THR A 69 6.698 9.698 -10.588 1.00 0.00 C ATOM 995 C THR A 69 5.187 9.584 -10.420 1.00 0.00 C ATOM 996 O THR A 69 4.458 10.560 -10.598 1.00 0.00 O ATOM 997 CB THR A 69 7.045 9.594 -12.085 1.00 0.00 C ATOM 998 OG1 THR A 69 8.463 9.682 -12.266 1.00 0.00 O ATOM 999 CG2 THR A 69 6.359 10.696 -12.878 1.00 0.00 C ATOM 0 H THR A 69 7.986 8.061 -10.359 1.00 0.00 H new ATOM 0 HA THR A 69 7.031 10.665 -10.212 1.00 0.00 H new ATOM 0 HB THR A 69 6.691 8.630 -12.451 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.676 9.613 -13.220 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.619 10.602 -13.932 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.279 10.609 -12.762 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.687 11.668 -12.509 1.00 0.00 H new ATOM 1007 N SER A 70 4.723 8.387 -10.075 1.00 0.00 N ATOM 1008 CA SER A 70 3.298 8.145 -9.886 1.00 0.00 C ATOM 1009 C SER A 70 2.988 7.838 -8.424 1.00 0.00 C ATOM 1010 O SER A 70 1.954 8.246 -7.898 1.00 0.00 O ATOM 1011 CB SER A 70 2.834 6.987 -10.771 1.00 0.00 C ATOM 1012 OG SER A 70 3.633 5.835 -10.564 1.00 0.00 O ATOM 0 H SER A 70 5.314 7.570 -9.921 1.00 0.00 H new ATOM 0 HA SER A 70 2.760 9.049 -10.171 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.792 6.754 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.883 7.284 -11.819 1.00 0.00 H new ATOM 0 HG SER A 70 3.315 5.109 -11.140 1.00 0.00 H new ATOM 1018 N GLY A 71 3.895 7.116 -7.772 1.00 0.00 N ATOM 1019 CA GLY A 71 3.702 6.766 -6.377 1.00 0.00 C ATOM 1020 C GLY A 71 2.972 5.449 -6.206 1.00 0.00 C ATOM 1021 O GLY A 71 2.514 5.124 -5.110 1.00 0.00 O ATOM 0 H GLY A 71 4.760 6.767 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.672 6.707 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.139 7.557 -5.882 1.00 0.00 H new ATOM 1025 N TRP A 72 2.861 4.691 -7.290 1.00 0.00 N ATOM 1026 CA TRP A 72 2.179 3.402 -7.255 1.00 0.00 C ATOM 1027 C TRP A 72 3.149 2.283 -6.890 1.00 0.00 C ATOM 1028 O TRP A 72 4.366 2.471 -6.909 1.00 0.00 O ATOM 1029 CB TRP A 72 1.529 3.108 -8.608 1.00 0.00 C ATOM 1030 CG TRP A 72 0.120 3.609 -8.710 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.281 4.858 -9.091 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.074 2.871 -8.427 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.652 4.941 -9.060 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.162 3.735 -8.657 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.330 1.564 -8.002 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.483 3.334 -8.476 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.641 1.167 -7.823 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.704 2.049 -8.060 1.00 0.00 C ATOM 0 H TRP A 72 3.234 4.946 -8.204 1.00 0.00 H new ATOM 0 HA TRP A 72 1.404 3.450 -6.490 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.127 3.563 -9.397 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.538 2.032 -8.782 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.382 5.662 -9.375 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.201 5.767 -9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.517 0.877 -7.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.304 4.012 -8.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.850 0.160 -7.495 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.718 1.708 -7.911 1.00 0.00 H new ATOM 1049 N LEU A 73 2.603 1.118 -6.557 1.00 0.00 N ATOM 1050 CA LEU A 73 3.421 -0.032 -6.187 1.00 0.00 C ATOM 1051 C LEU A 73 2.824 -1.323 -6.737 1.00 0.00 C ATOM 1052 O LEU A 73 1.637 -1.595 -6.558 1.00 0.00 O ATOM 1053 CB LEU A 73 3.549 -0.123 -4.665 1.00 0.00 C ATOM 1054 CG LEU A 73 4.832 -0.766 -4.138 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.041 -0.415 -2.672 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.790 -2.275 -4.326 1.00 0.00 C ATOM 0 H LEU A 73 1.598 0.945 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 73 4.412 0.102 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.475 0.883 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.699 -0.688 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 73 5.673 -0.373 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.959 -0.881 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.117 0.667 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.197 -0.779 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.712 -2.715 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.940 -2.686 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.689 -2.507 -5.386 1.00 0.00 H new ATOM 1068 N SER A 74 3.656 -2.116 -7.404 1.00 0.00 N ATOM 1069 CA SER A 74 3.210 -3.379 -7.981 1.00 0.00 C ATOM 1070 C SER A 74 4.295 -4.445 -7.860 1.00 0.00 C ATOM 1071 O SER A 74 5.362 -4.200 -7.298 1.00 0.00 O ATOM 1072 CB SER A 74 2.830 -3.187 -9.451 1.00 0.00 C ATOM 1073 OG SER A 74 3.983 -3.035 -10.260 1.00 0.00 O ATOM 0 H SER A 74 4.642 -1.907 -7.558 1.00 0.00 H new ATOM 0 HA SER A 74 2.333 -3.713 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.251 -4.044 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.192 -2.309 -9.553 1.00 0.00 H new ATOM 0 HG SER A 74 3.713 -2.916 -11.195 1.00 0.00 H new ATOM 1079 N VAL A 75 4.013 -5.630 -8.392 1.00 0.00 N ATOM 1080 CA VAL A 75 4.964 -6.734 -8.346 1.00 0.00 C ATOM 1081 C VAL A 75 5.855 -6.746 -9.583 1.00 0.00 C ATOM 1082 O VAL A 75 5.433 -6.343 -10.668 1.00 0.00 O ATOM 1083 CB VAL A 75 4.244 -8.091 -8.233 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.243 -9.235 -8.317 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.445 -8.164 -6.940 1.00 0.00 C ATOM 0 H VAL A 75 3.134 -5.850 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 75 5.580 -6.583 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 75 3.550 -8.185 -9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.716 -10.185 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.767 -9.192 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.964 -9.149 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.943 -9.129 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.117 -8.048 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.702 -7.367 -6.926 1.00 0.00 H new ATOM 1095 N LEU A 76 7.088 -7.209 -9.413 1.00 0.00 N ATOM 1096 CA LEU A 76 8.040 -7.274 -10.517 1.00 0.00 C ATOM 1097 C LEU A 76 8.279 -8.718 -10.945 1.00 0.00 C ATOM 1098 O LEU A 76 8.430 -9.008 -12.133 1.00 0.00 O ATOM 1099 CB LEU A 76 9.364 -6.623 -10.113 1.00 0.00 C ATOM 1100 CG LEU A 76 10.387 -6.432 -11.234 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.918 -5.364 -12.209 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.748 -6.070 -10.657 1.00 0.00 C ATOM 0 H LEU A 76 7.453 -7.545 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 76 7.618 -6.730 -11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.148 -5.648 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.821 -7.230 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 76 10.483 -7.372 -11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.659 -5.242 -12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.966 -5.664 -12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.792 -4.419 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.464 -5.938 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.668 -5.143 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.089 -6.870 -9.999 1.00 0.00 H new ATOM 1114 N HIS A 77 8.311 -9.621 -9.971 1.00 0.00 N ATOM 1115 CA HIS A 77 8.530 -11.037 -10.247 1.00 0.00 C ATOM 1116 C HIS A 77 7.521 -11.899 -9.495 1.00 0.00 C ATOM 1117 O HIS A 77 7.244 -11.664 -8.318 1.00 0.00 O ATOM 1118 CB HIS A 77 9.953 -11.440 -9.860 1.00 0.00 C ATOM 1119 CG HIS A 77 10.961 -11.192 -10.940 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.708 -11.430 -12.274 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.228 -10.722 -10.876 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.777 -11.119 -12.985 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.714 -10.686 -12.160 1.00 0.00 N ATOM 0 H HIS A 77 8.188 -9.398 -8.983 1.00 0.00 H new ATOM 0 HA HIS A 77 8.394 -11.199 -11.316 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.247 -10.889 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.964 -12.499 -9.600 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.758 -10.430 -9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.869 -11.204 -14.058 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.647 -10.376 -12.432 1.00 0.00 H new ATOM 1132 N ARG A 78 6.975 -12.898 -10.181 1.00 0.00 N ATOM 1133 CA ARG A 78 5.996 -13.794 -9.578 1.00 0.00 C ATOM 1134 C ARG A 78 6.382 -14.133 -8.141 1.00 0.00 C ATOM 1135 O ARG A 78 7.565 -14.217 -7.809 1.00 0.00 O ATOM 1136 CB ARG A 78 5.873 -15.078 -10.401 1.00 0.00 C ATOM 1137 CG ARG A 78 6.803 -16.188 -9.941 1.00 0.00 C ATOM 1138 CD ARG A 78 8.252 -15.880 -10.288 1.00 0.00 C ATOM 1139 NE ARG A 78 8.613 -16.373 -11.614 1.00 0.00 N ATOM 1140 CZ ARG A 78 8.930 -17.638 -11.868 1.00 0.00 C ATOM 1141 NH1 ARG A 78 8.929 -18.533 -10.890 1.00 0.00 N ATOM 1142 NH2 ARG A 78 9.247 -18.009 -13.101 1.00 0.00 N ATOM 0 H ARG A 78 7.194 -13.107 -11.155 1.00 0.00 H new ATOM 0 HA ARG A 78 5.033 -13.284 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.844 -15.434 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.082 -14.851 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.706 -16.322 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.508 -17.128 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.414 -14.803 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.907 -16.331 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 78 8.622 -15.709 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.685 -18.251 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.173 -19.504 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.248 -17.323 -13.856 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.490 -18.980 -13.295 1.00 0.00 H new ATOM 1156 N ILE A 79 5.377 -14.328 -7.294 1.00 0.00 N ATOM 1157 CA ILE A 79 5.612 -14.658 -5.894 1.00 0.00 C ATOM 1158 C ILE A 79 5.146 -16.075 -5.578 1.00 0.00 C ATOM 1159 O ILE A 79 4.131 -16.537 -6.100 1.00 0.00 O ATOM 1160 CB ILE A 79 4.893 -13.672 -4.954 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.358 -12.241 -5.230 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.145 -14.046 -3.501 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.301 -11.197 -4.942 1.00 0.00 C ATOM 0 H ILE A 79 4.393 -14.263 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 79 6.687 -14.586 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 79 3.821 -13.729 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.240 -12.031 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.662 -12.161 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.630 -13.340 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.770 -15.052 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.215 -14.014 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.699 -10.206 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.427 -11.382 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.014 -11.250 -3.892 1.00 0.00 H new ATOM 1175 N ASP A 80 5.894 -16.760 -4.720 1.00 0.00 N ATOM 1176 CA ASP A 80 5.556 -18.125 -4.331 1.00 0.00 C ATOM 1177 C ASP A 80 5.454 -18.249 -2.814 1.00 0.00 C ATOM 1178 O ASP A 80 6.464 -18.235 -2.111 1.00 0.00 O ATOM 1179 CB ASP A 80 6.603 -19.104 -4.866 1.00 0.00 C ATOM 1180 CG ASP A 80 6.028 -20.484 -5.120 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.260 -20.973 -4.266 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.347 -21.073 -6.174 1.00 0.00 O ATOM 0 H ASP A 80 6.738 -16.393 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 80 4.586 -18.370 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.023 -18.712 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.423 -19.181 -4.152 1.00 0.00 H new ATOM 1187 N ARG A 81 4.227 -18.368 -2.317 1.00 0.00 N ATOM 1188 CA ARG A 81 3.993 -18.492 -0.883 1.00 0.00 C ATOM 1189 C ARG A 81 5.061 -19.365 -0.231 1.00 0.00 C ATOM 1190 O ARG A 81 5.444 -19.140 0.917 1.00 0.00 O ATOM 1191 CB ARG A 81 2.606 -19.082 -0.620 1.00 0.00 C ATOM 1192 CG ARG A 81 2.279 -19.235 0.856 1.00 0.00 C ATOM 1193 CD ARG A 81 1.316 -20.386 1.097 1.00 0.00 C ATOM 1194 NE ARG A 81 0.711 -20.325 2.425 1.00 0.00 N ATOM 1195 CZ ARG A 81 0.033 -21.328 2.971 1.00 0.00 C ATOM 1196 NH1 ARG A 81 -0.125 -22.465 2.306 1.00 0.00 N ATOM 1197 NH2 ARG A 81 -0.488 -21.196 4.184 1.00 0.00 N ATOM 0 H ARG A 81 3.380 -18.381 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 81 4.046 -17.496 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.855 -18.444 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.538 -20.058 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.198 -19.404 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.842 -18.309 1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.532 -20.367 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.846 -21.332 0.983 1.00 0.00 H new ATOM 0 HE ARG A 81 0.815 -19.465 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.275 -22.570 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.646 -23.234 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.368 -20.323 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.009 -21.967 4.602 1.00 0.00 H new ATOM 1211 N GLU A 82 5.537 -20.362 -0.971 1.00 0.00 N ATOM 1212 CA GLU A 82 6.559 -21.269 -0.464 1.00 0.00 C ATOM 1213 C GLU A 82 7.866 -20.525 -0.203 1.00 0.00 C ATOM 1214 O GLU A 82 8.405 -20.566 0.903 1.00 0.00 O ATOM 1215 CB GLU A 82 6.798 -22.410 -1.455 1.00 0.00 C ATOM 1216 CG GLU A 82 7.293 -23.689 -0.803 1.00 0.00 C ATOM 1217 CD GLU A 82 8.017 -24.599 -1.777 1.00 0.00 C ATOM 1218 OE1 GLU A 82 8.894 -24.102 -2.514 1.00 0.00 O ATOM 1219 OE2 GLU A 82 7.705 -25.808 -1.803 1.00 0.00 O ATOM 0 H GLU A 82 5.231 -20.561 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 82 6.203 -21.685 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.869 -22.619 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.525 -22.087 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.963 -23.437 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.446 -24.224 -0.373 1.00 0.00 H new ATOM 1226 N GLU A 83 8.369 -19.846 -1.229 1.00 0.00 N ATOM 1227 CA GLU A 83 9.613 -19.095 -1.111 1.00 0.00 C ATOM 1228 C GLU A 83 9.475 -17.972 -0.087 1.00 0.00 C ATOM 1229 O GLU A 83 10.443 -17.596 0.573 1.00 0.00 O ATOM 1230 CB GLU A 83 10.015 -18.515 -2.469 1.00 0.00 C ATOM 1231 CG GLU A 83 9.207 -17.293 -2.872 1.00 0.00 C ATOM 1232 CD GLU A 83 9.891 -16.469 -3.946 1.00 0.00 C ATOM 1233 OE1 GLU A 83 9.927 -16.923 -5.109 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.391 -15.371 -3.623 1.00 0.00 O ATOM 0 H GLU A 83 7.934 -19.801 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 83 10.390 -19.780 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.072 -18.249 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.899 -19.285 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.229 -17.612 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.036 -16.669 -1.994 1.00 0.00 H new ATOM 1241 N VAL A 84 8.263 -17.440 0.040 1.00 0.00 N ATOM 1242 CA VAL A 84 7.997 -16.361 0.983 1.00 0.00 C ATOM 1243 C VAL A 84 6.596 -16.480 1.573 1.00 0.00 C ATOM 1244 O VAL A 84 5.627 -16.719 0.854 1.00 0.00 O ATOM 1245 CB VAL A 84 8.144 -14.981 0.314 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.584 -14.749 -0.120 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.196 -14.859 -0.869 1.00 0.00 C ATOM 0 H VAL A 84 7.450 -17.739 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 84 8.734 -16.450 1.781 1.00 0.00 H new ATOM 0 HB VAL A 84 7.881 -14.214 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.669 -13.769 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.238 -14.791 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.878 -15.520 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.313 -13.878 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.426 -15.633 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.168 -14.978 -0.526 1.00 0.00 H new ATOM 1257 N ASN A 85 6.498 -16.311 2.888 1.00 0.00 N ATOM 1258 CA ASN A 85 5.215 -16.400 3.576 1.00 0.00 C ATOM 1259 C ASN A 85 4.780 -15.033 4.095 1.00 0.00 C ATOM 1260 O ASN A 85 3.617 -14.833 4.445 1.00 0.00 O ATOM 1261 CB ASN A 85 5.302 -17.394 4.736 1.00 0.00 C ATOM 1262 CG ASN A 85 6.284 -18.517 4.462 1.00 0.00 C ATOM 1263 OD1 ASN A 85 5.950 -19.500 3.800 1.00 0.00 O ATOM 1264 ND2 ASN A 85 7.501 -18.376 4.973 1.00 0.00 N ATOM 0 H ASN A 85 7.291 -16.112 3.498 1.00 0.00 H new ATOM 0 HA ASN A 85 4.471 -16.751 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.601 -16.866 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.315 -17.816 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.204 -19.100 4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.733 -17.544 5.515 1.00 0.00 H new ATOM 1271 N GLN A 86 5.722 -14.096 4.139 1.00 0.00 N ATOM 1272 CA GLN A 86 5.435 -12.747 4.614 1.00 0.00 C ATOM 1273 C GLN A 86 6.500 -11.765 4.138 1.00 0.00 C ATOM 1274 O GLN A 86 7.698 -12.019 4.270 1.00 0.00 O ATOM 1275 CB GLN A 86 5.354 -12.729 6.142 1.00 0.00 C ATOM 1276 CG GLN A 86 4.893 -11.397 6.711 1.00 0.00 C ATOM 1277 CD GLN A 86 4.650 -11.453 8.206 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.741 -12.516 8.822 1.00 0.00 O ATOM 1279 NE2 GLN A 86 4.340 -10.307 8.799 1.00 0.00 N ATOM 0 H GLN A 86 6.689 -14.246 3.852 1.00 0.00 H new ATOM 0 HA GLN A 86 4.474 -12.440 4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.670 -13.511 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.335 -12.970 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.643 -10.636 6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.975 -11.090 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.275 -9.450 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.166 -10.283 9.804 1.00 0.00 H new ATOM 1288 N LEU A 87 6.056 -10.642 3.585 1.00 0.00 N ATOM 1289 CA LEU A 87 6.971 -9.620 3.088 1.00 0.00 C ATOM 1290 C LEU A 87 6.861 -8.343 3.915 1.00 0.00 C ATOM 1291 O LEU A 87 5.769 -7.807 4.106 1.00 0.00 O ATOM 1292 CB LEU A 87 6.679 -9.316 1.618 1.00 0.00 C ATOM 1293 CG LEU A 87 6.998 -10.434 0.625 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.253 -10.215 -0.682 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.497 -10.517 0.379 1.00 0.00 C ATOM 0 H LEU A 87 5.068 -10.416 3.469 1.00 0.00 H new ATOM 0 HA LEU A 87 7.988 -10.003 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.623 -9.063 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.246 -8.430 1.331 1.00 0.00 H new ATOM 0 HG LEU A 87 6.668 -11.380 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.492 -11.020 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.180 -10.207 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.552 -9.261 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.706 -11.318 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.852 -9.570 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.009 -10.722 1.319 1.00 0.00 H new ATOM 1307 N ARG A 88 8.000 -7.859 4.401 1.00 0.00 N ATOM 1308 CA ARG A 88 8.032 -6.644 5.206 1.00 0.00 C ATOM 1309 C ARG A 88 9.131 -5.701 4.726 1.00 0.00 C ATOM 1310 O ARG A 88 10.307 -6.066 4.698 1.00 0.00 O ATOM 1311 CB ARG A 88 8.250 -6.989 6.681 1.00 0.00 C ATOM 1312 CG ARG A 88 7.606 -6.000 7.639 1.00 0.00 C ATOM 1313 CD ARG A 88 8.350 -4.675 7.655 1.00 0.00 C ATOM 1314 NE ARG A 88 9.610 -4.762 8.388 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.685 -4.855 9.711 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.579 -4.872 10.442 1.00 0.00 N ATOM 1317 NH2 ARG A 88 10.869 -4.931 10.306 1.00 0.00 N ATOM 0 H ARG A 88 8.912 -8.290 4.251 1.00 0.00 H new ATOM 0 HA ARG A 88 7.072 -6.141 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.850 -7.984 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.321 -7.031 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.569 -5.833 7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.591 -6.422 8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.548 -4.358 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.719 -3.911 8.109 1.00 0.00 H new ATOM 0 HE ARG A 88 10.480 -4.751 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.667 -4.814 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.640 -4.944 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.722 -4.918 9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.926 -5.002 11.322 1.00 0.00 H new ATOM 1331 N PHE A 89 8.741 -4.489 4.347 1.00 0.00 N ATOM 1332 CA PHE A 89 9.693 -3.495 3.866 1.00 0.00 C ATOM 1333 C PHE A 89 9.193 -2.081 4.151 1.00 0.00 C ATOM 1334 O PHE A 89 8.082 -1.890 4.645 1.00 0.00 O ATOM 1335 CB PHE A 89 9.931 -3.671 2.365 1.00 0.00 C ATOM 1336 CG PHE A 89 8.680 -3.561 1.542 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.145 -2.321 1.232 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.037 -4.699 1.079 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.993 -2.217 0.474 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.886 -4.601 0.321 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.362 -3.359 0.019 1.00 0.00 C ATOM 0 H PHE A 89 7.772 -4.171 4.364 1.00 0.00 H new ATOM 0 HA PHE A 89 10.634 -3.643 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.645 -2.919 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.387 -4.645 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.633 -1.425 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.440 -5.673 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.587 -1.244 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.396 -5.495 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.461 -3.281 -0.571 1.00 0.00 H new ATOM 1351 N THR A 90 10.024 -1.092 3.835 1.00 0.00 N ATOM 1352 CA THR A 90 9.669 0.304 4.058 1.00 0.00 C ATOM 1353 C THR A 90 9.784 1.113 2.771 1.00 0.00 C ATOM 1354 O THR A 90 10.511 0.736 1.852 1.00 0.00 O ATOM 1355 CB THR A 90 10.563 0.946 5.136 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.569 0.134 6.315 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.077 2.346 5.480 1.00 0.00 C ATOM 0 H THR A 90 10.947 -1.232 3.424 1.00 0.00 H new ATOM 0 HA THR A 90 8.634 0.316 4.400 1.00 0.00 H new ATOM 0 HB THR A 90 11.576 1.018 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.141 0.548 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.724 2.778 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.103 2.970 4.587 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.056 2.294 5.857 1.00 0.00 H new ATOM 1365 N VAL A 91 9.062 2.228 2.712 1.00 0.00 N ATOM 1366 CA VAL A 91 9.085 3.091 1.537 1.00 0.00 C ATOM 1367 C VAL A 91 9.363 4.539 1.925 1.00 0.00 C ATOM 1368 O VAL A 91 8.777 5.062 2.872 1.00 0.00 O ATOM 1369 CB VAL A 91 7.753 3.024 0.766 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.543 1.635 0.183 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.594 3.413 1.671 1.00 0.00 C ATOM 0 H VAL A 91 8.455 2.554 3.464 1.00 0.00 H new ATOM 0 HA VAL A 91 9.887 2.730 0.894 1.00 0.00 H new ATOM 0 HB VAL A 91 7.794 3.735 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.597 1.607 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.359 1.400 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.522 0.901 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.661 3.360 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.548 2.728 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.742 4.430 2.035 1.00 0.00 H new ATOM 1381 N MET A 92 10.261 5.182 1.186 1.00 0.00 N ATOM 1382 CA MET A 92 10.616 6.571 1.451 1.00 0.00 C ATOM 1383 C MET A 92 9.941 7.505 0.451 1.00 0.00 C ATOM 1384 O MET A 92 9.647 7.113 -0.677 1.00 0.00 O ATOM 1385 CB MET A 92 12.134 6.753 1.393 1.00 0.00 C ATOM 1386 CG MET A 92 12.825 6.519 2.726 1.00 0.00 C ATOM 1387 SD MET A 92 14.400 7.388 2.854 1.00 0.00 S ATOM 1388 CE MET A 92 15.190 6.882 1.328 1.00 0.00 C ATOM 0 H MET A 92 10.756 4.763 0.399 1.00 0.00 H new ATOM 0 HA MET A 92 10.266 6.824 2.452 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.546 6.066 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.358 7.763 1.049 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.169 6.844 3.533 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.992 5.450 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.268 6.824 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.812 5.904 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.971 7.610 0.546 1.00 0.00 H new ATOM 1398 N ALA A 93 9.699 8.742 0.874 1.00 0.00 N ATOM 1399 CA ALA A 93 9.062 9.731 0.014 1.00 0.00 C ATOM 1400 C ALA A 93 9.775 11.076 0.102 1.00 0.00 C ATOM 1401 O ALA A 93 9.649 11.793 1.096 1.00 0.00 O ATOM 1402 CB ALA A 93 7.594 9.885 0.385 1.00 0.00 C ATOM 0 H ALA A 93 9.934 9.082 1.806 1.00 0.00 H new ATOM 0 HA ALA A 93 9.131 9.379 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.130 10.627 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.086 8.928 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.513 10.210 1.422 1.00 0.00 H new ATOM 1408 N ARG A 94 10.525 11.413 -0.942 1.00 0.00 N ATOM 1409 CA ARG A 94 11.260 12.671 -0.982 1.00 0.00 C ATOM 1410 C ARG A 94 10.383 13.796 -1.524 1.00 0.00 C ATOM 1411 O ARG A 94 9.606 13.596 -2.458 1.00 0.00 O ATOM 1412 CB ARG A 94 12.515 12.526 -1.845 1.00 0.00 C ATOM 1413 CG ARG A 94 13.425 11.390 -1.410 1.00 0.00 C ATOM 1414 CD ARG A 94 14.810 11.520 -2.023 1.00 0.00 C ATOM 1415 NE ARG A 94 14.778 11.401 -3.479 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.729 11.873 -4.276 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.783 12.492 -3.762 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.628 11.726 -5.591 1.00 0.00 N ATOM 0 H ARG A 94 10.640 10.832 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 94 11.555 12.923 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.217 12.365 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.075 13.460 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.506 11.383 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.984 10.437 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.239 12.483 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.463 10.750 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 94 13.981 10.929 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.865 12.607 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.512 12.854 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.819 11.250 -5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.359 12.089 -6.202 1.00 0.00 H new ATOM 1520 N LYS A 101 13.330 15.917 3.027 1.00 0.00 N ATOM 1521 CA LYS A 101 12.450 15.303 4.014 1.00 0.00 C ATOM 1522 C LYS A 101 11.925 13.960 3.515 1.00 0.00 C ATOM 1523 O LYS A 101 11.003 13.905 2.701 1.00 0.00 O ATOM 1524 CB LYS A 101 11.277 16.234 4.332 1.00 0.00 C ATOM 1525 CG LYS A 101 11.701 17.557 4.945 1.00 0.00 C ATOM 1526 CD LYS A 101 11.766 17.474 6.461 1.00 0.00 C ATOM 1527 CE LYS A 101 13.164 17.114 6.940 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.981 18.326 7.227 1.00 0.00 N ATOM 0 HA LYS A 101 13.028 15.133 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.720 16.429 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.597 15.727 5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.677 17.844 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.998 18.337 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.467 18.430 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.055 16.728 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.093 16.502 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.663 16.510 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.927 18.039 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.070 18.897 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.518 18.889 7.968 1.00 0.00 H new ATOM 1542 N THR A 102 12.518 12.877 4.009 1.00 0.00 N ATOM 1543 CA THR A 102 12.111 11.535 3.613 1.00 0.00 C ATOM 1544 C THR A 102 11.291 10.864 4.709 1.00 0.00 C ATOM 1545 O THR A 102 11.732 10.763 5.854 1.00 0.00 O ATOM 1546 CB THR A 102 13.329 10.652 3.285 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.173 10.535 4.436 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.123 11.233 2.125 1.00 0.00 C ATOM 0 H THR A 102 13.282 12.904 4.684 1.00 0.00 H new ATOM 0 HA THR A 102 11.498 11.642 2.718 1.00 0.00 H new ATOM 0 HB THR A 102 12.967 9.665 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.647 10.703 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.978 10.592 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.486 11.294 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.474 12.231 2.388 1.00 0.00 H new ATOM 1556 N ASP A 103 10.096 10.406 4.351 1.00 0.00 N ATOM 1557 CA ASP A 103 9.215 9.743 5.305 1.00 0.00 C ATOM 1558 C ASP A 103 9.182 8.238 5.058 1.00 0.00 C ATOM 1559 O ASP A 103 8.956 7.786 3.935 1.00 0.00 O ATOM 1560 CB ASP A 103 7.801 10.318 5.210 1.00 0.00 C ATOM 1561 CG ASP A 103 7.325 10.454 3.777 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.949 11.224 3.016 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.331 9.791 3.417 1.00 0.00 O ATOM 0 H ASP A 103 9.716 10.482 3.408 1.00 0.00 H new ATOM 0 HA ASP A 103 9.605 9.921 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.113 9.675 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.776 11.295 5.692 1.00 0.00 H new ATOM 1568 N LYS A 104 9.412 7.465 6.114 1.00 0.00 N ATOM 1569 CA LYS A 104 9.409 6.010 6.014 1.00 0.00 C ATOM 1570 C LYS A 104 8.055 5.439 6.425 1.00 0.00 C ATOM 1571 O LYS A 104 7.518 5.787 7.476 1.00 0.00 O ATOM 1572 CB LYS A 104 10.513 5.416 6.892 1.00 0.00 C ATOM 1573 CG LYS A 104 11.838 5.245 6.170 1.00 0.00 C ATOM 1574 CD LYS A 104 12.999 5.166 7.147 1.00 0.00 C ATOM 1575 CE LYS A 104 13.469 6.551 7.567 1.00 0.00 C ATOM 1576 NZ LYS A 104 14.493 6.485 8.645 1.00 0.00 N ATOM 0 H LYS A 104 9.603 7.822 7.050 1.00 0.00 H new ATOM 0 HA LYS A 104 9.596 5.742 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.662 6.059 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.185 4.446 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.809 4.339 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.992 6.081 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.697 4.600 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.826 4.624 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.884 7.071 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.616 7.135 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.788 7.448 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.090 6.011 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.318 5.949 8.308 1.00 0.00 H new ATOM 1590 N ALA A 105 7.511 4.560 5.590 1.00 0.00 N ATOM 1591 CA ALA A 105 6.223 3.939 5.868 1.00 0.00 C ATOM 1592 C ALA A 105 6.304 2.422 5.733 1.00 0.00 C ATOM 1593 O ALA A 105 6.568 1.897 4.650 1.00 0.00 O ATOM 1594 CB ALA A 105 5.155 4.497 4.938 1.00 0.00 C ATOM 0 H ALA A 105 7.943 4.262 4.715 1.00 0.00 H new ATOM 0 HA ALA A 105 5.951 4.172 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.198 4.024 5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.070 5.574 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.431 4.294 3.903 1.00 0.00 H new ATOM 1600 N THR A 106 6.077 1.721 6.840 1.00 0.00 N ATOM 1601 CA THR A 106 6.127 0.264 6.845 1.00 0.00 C ATOM 1602 C THR A 106 5.016 -0.327 5.984 1.00 0.00 C ATOM 1603 O THR A 106 3.871 0.121 6.037 1.00 0.00 O ATOM 1604 CB THR A 106 6.007 -0.297 8.274 1.00 0.00 C ATOM 1605 OG1 THR A 106 6.895 0.405 9.152 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.329 -1.783 8.301 1.00 0.00 C ATOM 0 H THR A 106 5.857 2.139 7.744 1.00 0.00 H new ATOM 0 HA THR A 106 7.094 -0.021 6.431 1.00 0.00 H new ATOM 0 HB THR A 106 4.979 -0.158 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.812 0.044 10.059 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.238 -2.157 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.633 -2.318 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.348 -1.941 7.947 1.00 0.00 H new ATOM 1614 N VAL A 107 5.361 -1.337 5.192 1.00 0.00 N ATOM 1615 CA VAL A 107 4.392 -1.992 4.321 1.00 0.00 C ATOM 1616 C VAL A 107 4.368 -3.497 4.560 1.00 0.00 C ATOM 1617 O VAL A 107 5.190 -4.236 4.017 1.00 0.00 O ATOM 1618 CB VAL A 107 4.701 -1.723 2.836 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.731 -2.481 1.944 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.653 -0.231 2.544 1.00 0.00 C ATOM 0 H VAL A 107 6.305 -1.720 5.135 1.00 0.00 H new ATOM 0 HA VAL A 107 3.415 -1.574 4.562 1.00 0.00 H new ATOM 0 HB VAL A 107 5.709 -2.079 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.964 -2.279 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.820 -3.550 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.712 -2.158 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.874 -0.059 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.659 0.153 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.392 0.284 3.158 1.00 0.00 H new ATOM 1630 N VAL A 108 3.419 -3.946 5.375 1.00 0.00 N ATOM 1631 CA VAL A 108 3.285 -5.365 5.685 1.00 0.00 C ATOM 1632 C VAL A 108 2.355 -6.058 4.696 1.00 0.00 C ATOM 1633 O VAL A 108 1.141 -5.847 4.716 1.00 0.00 O ATOM 1634 CB VAL A 108 2.751 -5.580 7.113 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.750 -7.059 7.467 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.574 -4.784 8.115 1.00 0.00 C ATOM 0 H VAL A 108 2.731 -3.348 5.833 1.00 0.00 H new ATOM 0 HA VAL A 108 4.281 -5.801 5.609 1.00 0.00 H new ATOM 0 HB VAL A 108 1.723 -5.221 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.369 -7.190 8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.113 -7.600 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.767 -7.448 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.183 -4.948 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.613 -5.110 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.517 -3.723 7.872 1.00 0.00 H new ATOM 1646 N LEU A 109 2.930 -6.887 3.832 1.00 0.00 N ATOM 1647 CA LEU A 109 2.152 -7.613 2.835 1.00 0.00 C ATOM 1648 C LEU A 109 2.004 -9.081 3.222 1.00 0.00 C ATOM 1649 O LEU A 109 2.949 -9.860 3.110 1.00 0.00 O ATOM 1650 CB LEU A 109 2.815 -7.501 1.461 1.00 0.00 C ATOM 1651 CG LEU A 109 3.006 -6.082 0.922 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.704 -6.114 -0.429 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.666 -5.368 0.815 1.00 0.00 C ATOM 0 H LEU A 109 3.932 -7.073 3.802 1.00 0.00 H new ATOM 0 HA LEU A 109 1.159 -7.166 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.791 -7.984 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.217 -8.063 0.744 1.00 0.00 H new ATOM 0 HG LEU A 109 3.635 -5.530 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.831 -5.096 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.681 -6.586 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.101 -6.683 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.821 -4.360 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.013 -5.919 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.203 -5.313 1.800 1.00 0.00 H new ATOM 1665 N ASN A 110 0.811 -9.451 3.676 1.00 0.00 N ATOM 1666 CA ASN A 110 0.539 -10.826 4.078 1.00 0.00 C ATOM 1667 C ASN A 110 0.287 -11.710 2.860 1.00 0.00 C ATOM 1668 O ASN A 110 -0.583 -11.418 2.038 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.669 -10.876 5.016 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.319 -10.457 6.431 1.00 0.00 C ATOM 1671 OD1 ASN A 110 0.360 -11.186 7.156 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.781 -9.279 6.831 1.00 0.00 N ATOM 0 H ASN A 110 0.017 -8.818 3.775 1.00 0.00 H new ATOM 0 HA ASN A 110 1.416 -11.204 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.453 -10.224 4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.074 -11.888 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.577 -8.944 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.340 -8.708 6.197 1.00 0.00 H new ATOM 1679 N ILE A 111 1.053 -12.790 2.751 1.00 0.00 N ATOM 1680 CA ILE A 111 0.912 -13.716 1.634 1.00 0.00 C ATOM 1681 C ILE A 111 -0.370 -14.533 1.757 1.00 0.00 C ATOM 1682 O ILE A 111 -0.444 -15.481 2.539 1.00 0.00 O ATOM 1683 CB ILE A 111 2.112 -14.677 1.544 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.417 -13.887 1.419 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.945 -15.624 0.366 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.380 -12.826 0.341 1.00 0.00 C ATOM 0 H ILE A 111 1.777 -13.045 3.422 1.00 0.00 H new ATOM 0 HA ILE A 111 0.871 -13.113 0.727 1.00 0.00 H new ATOM 0 HB ILE A 111 2.154 -15.270 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.639 -13.414 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.233 -14.579 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.801 -16.297 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.033 -16.207 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.881 -15.048 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.338 -12.306 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.189 -13.295 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.587 -12.112 0.561 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.379 -14.160 0.977 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.659 -14.859 0.994 1.00 0.00 C ATOM 1700 C LYS A 112 -2.656 -16.023 0.008 1.00 0.00 C ATOM 1701 O LYS A 112 -1.854 -16.057 -0.925 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.796 -13.893 0.656 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.957 -12.766 1.662 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.580 -13.260 2.957 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.098 -13.302 2.864 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.705 -11.964 3.107 1.00 0.00 N ATOM 0 H LYS A 112 -1.335 -13.377 0.325 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.815 -15.256 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.617 -13.465 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.730 -14.451 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.984 -12.322 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.580 -11.981 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.201 -14.255 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.282 -12.607 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.392 -13.660 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.487 -14.015 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.556 -12.070 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.019 -11.355 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.965 -11.530 2.198 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.559 -16.975 0.221 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.663 -18.139 -0.651 1.00 0.00 C ATOM 1722 C ASP A 113 -4.951 -18.095 -1.466 1.00 0.00 C ATOM 1723 O ASP A 113 -6.041 -17.956 -0.913 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.610 -19.426 0.174 1.00 0.00 C ATOM 1725 CG ASP A 113 -4.162 -20.620 -0.580 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -4.264 -20.542 -1.823 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -4.491 -21.632 0.072 1.00 0.00 O ATOM 0 H ASP A 113 -4.229 -16.963 0.990 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.819 -18.123 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.578 -19.627 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.177 -19.288 1.095 1.00 0.00 H new