USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 THR OG1 : rot 80:sc= 0.89 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.855 F(o=-0.45,f=1.7) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 160:sc= -0.438 (180deg=-1.58!) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot 146:sc= -1.78! USER MOD Set 3.2: A 112 HIS :FLIP no HE2:sc= -14.7! C(o=-17!,f=-16!) USER MOD Set 4.1: A 20 THR OG1 : rot -56:sc= -1.91 USER MOD Set 4.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 92 ASN : amide:sc= -2.92 K(o=-2.9,f=-7.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -93:sc= 0.919 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.146 (180deg=-0.706) USER MOD Single : A 29 GLN : amide:sc= -2.15 K(o=-2.1,f=-2.7!) USER MOD Single : A 30 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.38) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -0.0647 (180deg=-0.739) USER MOD Single : A 34 GLN : amide:sc= -4.23 K(o=-4.2,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.313 (180deg=-1.37!) USER MOD Single : A 51 MET CE :methyl 160:sc= -1.94 (180deg=-2.9!) USER MOD Single : A 54 SER OG : rot 171:sc= 0.0116 USER MOD Single : A 57 ASN : amide:sc= -6.5 K(o=-6.5,f=-16!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.718) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 163:sc= -0.217 (180deg=-0.507) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.7 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -62:sc= -2.53! USER MOD Single : A 83 SER OG : rot -46:sc= 1.15 USER MOD Single : A 84 ASN : amide:sc= -0.99 K(o=-0.99,f=-3.7!) USER MOD Single : A 87 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.6) USER MOD Single : A 98 THR OG1 : rot -150:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.038 3.155 14.870 1.00 0.00 N ATOM 194 CA TYR A 12 -2.434 4.427 15.467 1.00 0.00 C ATOM 195 C TYR A 12 -3.900 4.733 15.181 1.00 0.00 C ATOM 196 O TYR A 12 -4.732 4.730 16.088 1.00 0.00 O ATOM 197 CB TYR A 12 -1.541 5.558 14.927 1.00 0.00 C ATOM 198 CG TYR A 12 -0.152 5.093 14.533 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.023 4.138 13.538 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.980 5.582 15.175 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.276 3.686 13.193 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.242 5.137 14.828 1.00 0.00 C ATOM 203 CZ TYR A 12 2.384 4.188 13.838 1.00 0.00 C ATOM 204 OH TYR A 12 3.638 3.740 13.493 1.00 0.00 O ATOM 0 HA TYR A 12 -2.309 4.354 16.547 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.024 6.010 14.061 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.454 6.336 15.686 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.842 3.743 13.026 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.872 6.320 15.956 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.390 2.941 12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.113 5.531 15.330 1.00 0.00 H new ATOM 0 HH TYR A 12 4.310 4.195 14.042 1.00 0.00 H new ATOM 214 N GLY A 13 -4.211 4.994 13.915 1.00 0.00 N ATOM 215 CA GLY A 13 -5.580 5.295 13.539 1.00 0.00 C ATOM 216 C GLY A 13 -5.683 5.946 12.175 1.00 0.00 C ATOM 217 O GLY A 13 -6.206 5.349 11.234 1.00 0.00 O ATOM 0 H GLY A 13 -3.542 5.002 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.164 4.375 13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.021 5.955 14.286 1.00 0.00 H new ATOM 221 N ILE A 14 -5.188 7.174 12.064 1.00 0.00 N ATOM 222 CA ILE A 14 -5.232 7.900 10.802 1.00 0.00 C ATOM 223 C ILE A 14 -4.491 7.140 9.707 1.00 0.00 C ATOM 224 O ILE A 14 -4.998 6.986 8.595 1.00 0.00 O ATOM 225 CB ILE A 14 -4.640 9.320 10.944 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.941 10.161 9.696 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.140 9.258 11.212 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.108 9.793 8.484 1.00 0.00 C ATOM 0 H ILE A 14 -4.753 7.686 12.831 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.281 7.991 10.522 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.114 9.803 11.799 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.996 10.053 9.444 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.775 11.212 9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.745 10.270 11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.958 8.708 12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.643 8.752 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.382 10.434 7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.051 9.929 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.291 8.751 8.220 1.00 0.00 H new ATOM 240 N GLU A 15 -3.296 6.659 10.028 1.00 0.00 N ATOM 241 CA GLU A 15 -2.499 5.908 9.068 1.00 0.00 C ATOM 242 C GLU A 15 -3.081 4.514 8.878 1.00 0.00 C ATOM 243 O GLU A 15 -3.021 3.948 7.787 1.00 0.00 O ATOM 244 CB GLU A 15 -1.044 5.816 9.533 1.00 0.00 C ATOM 245 CG GLU A 15 -0.137 6.853 8.890 1.00 0.00 C ATOM 246 CD GLU A 15 1.232 6.298 8.551 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.320 5.450 7.637 1.00 0.00 O ATOM 248 OE2 GLU A 15 2.218 6.711 9.198 1.00 0.00 O ATOM 0 H GLU A 15 -2.859 6.775 10.942 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.523 6.432 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.008 5.935 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.661 4.820 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.608 7.229 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.024 7.701 9.565 1.00 0.00 H new ATOM 255 N GLY A 16 -3.658 3.972 9.945 1.00 0.00 N ATOM 256 CA GLY A 16 -4.259 2.658 9.869 1.00 0.00 C ATOM 257 C GLY A 16 -5.577 2.685 9.124 1.00 0.00 C ATOM 258 O GLY A 16 -5.985 1.687 8.531 1.00 0.00 O ATOM 0 H GLY A 16 -3.719 4.420 10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.573 1.973 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.418 2.272 10.876 1.00 0.00 H new ATOM 262 N ARG A 17 -6.240 3.839 9.149 1.00 0.00 N ATOM 263 CA ARG A 17 -7.516 4.000 8.465 1.00 0.00 C ATOM 264 C ARG A 17 -7.321 4.002 6.955 1.00 0.00 C ATOM 265 O ARG A 17 -8.225 3.635 6.206 1.00 0.00 O ATOM 266 CB ARG A 17 -8.197 5.297 8.907 1.00 0.00 C ATOM 267 CG ARG A 17 -9.682 5.343 8.588 1.00 0.00 C ATOM 268 CD ARG A 17 -9.949 6.081 7.286 1.00 0.00 C ATOM 269 NE ARG A 17 -10.305 7.480 7.512 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.899 8.250 6.603 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.206 7.762 5.407 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.188 9.511 6.891 1.00 0.00 N ATOM 0 H ARG A 17 -5.913 4.674 9.635 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.154 3.157 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.061 5.422 9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.704 6.140 8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.072 4.328 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.215 5.834 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.063 6.030 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.756 5.584 6.747 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.085 7.891 8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.987 6.792 5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.661 8.357 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.955 9.891 7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.643 10.102 6.195 1.00 0.00 H new ATOM 286 N TYR A 18 -6.134 4.408 6.508 1.00 0.00 N ATOM 287 CA TYR A 18 -5.831 4.442 5.083 1.00 0.00 C ATOM 288 C TYR A 18 -6.074 3.078 4.456 1.00 0.00 C ATOM 289 O TYR A 18 -6.762 2.960 3.441 1.00 0.00 O ATOM 290 CB TYR A 18 -4.376 4.863 4.859 1.00 0.00 C ATOM 291 CG TYR A 18 -4.221 6.278 4.358 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.594 7.357 5.148 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.697 6.534 3.098 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.451 8.653 4.695 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.550 7.829 2.637 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.929 8.885 3.440 1.00 0.00 C ATOM 297 OH TYR A 18 -3.784 10.176 2.986 1.00 0.00 O ATOM 0 H TYR A 18 -5.371 4.716 7.111 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.489 5.171 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.829 4.757 5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.917 4.182 4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.002 7.180 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.400 5.709 2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.747 9.482 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.141 8.013 1.654 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.401 10.164 2.084 1.00 0.00 H new ATOM 307 N ALA A 19 -5.511 2.051 5.075 1.00 0.00 N ATOM 308 CA ALA A 19 -5.670 0.693 4.586 1.00 0.00 C ATOM 309 C ALA A 19 -7.104 0.227 4.767 1.00 0.00 C ATOM 310 O ALA A 19 -7.669 -0.421 3.890 1.00 0.00 O ATOM 311 CB ALA A 19 -4.706 -0.245 5.297 1.00 0.00 C ATOM 0 H ALA A 19 -4.940 2.134 5.916 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.438 0.679 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.839 -1.258 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.682 0.079 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.906 -0.229 6.368 1.00 0.00 H new ATOM 317 N THR A 20 -7.694 0.563 5.907 1.00 0.00 N ATOM 318 CA THR A 20 -9.068 0.173 6.184 1.00 0.00 C ATOM 319 C THR A 20 -10.039 0.927 5.289 1.00 0.00 C ATOM 320 O THR A 20 -11.156 0.469 5.056 1.00 0.00 O ATOM 321 CB THR A 20 -9.415 0.390 7.656 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.348 1.023 8.339 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.719 -0.903 8.376 1.00 0.00 C ATOM 0 H THR A 20 -7.246 1.101 6.649 1.00 0.00 H new ATOM 0 HA THR A 20 -9.160 -0.891 5.967 1.00 0.00 H new ATOM 0 HB THR A 20 -10.305 1.019 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.532 0.491 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.959 -0.691 9.418 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.568 -1.393 7.900 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.849 -1.558 8.330 1.00 0.00 H new ATOM 331 N ALA A 21 -9.612 2.074 4.770 1.00 0.00 N ATOM 332 CA ALA A 21 -10.465 2.854 3.888 1.00 0.00 C ATOM 333 C ALA A 21 -10.229 2.476 2.431 1.00 0.00 C ATOM 334 O ALA A 21 -10.846 3.036 1.525 1.00 0.00 O ATOM 335 CB ALA A 21 -10.248 4.344 4.104 1.00 0.00 C ATOM 0 H ALA A 21 -8.692 2.478 4.943 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.503 2.625 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.897 4.907 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.484 4.600 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.207 4.594 3.897 1.00 0.00 H new ATOM 341 N LEU A 22 -9.357 1.498 2.216 1.00 0.00 N ATOM 342 CA LEU A 22 -9.066 1.015 0.874 1.00 0.00 C ATOM 343 C LEU A 22 -9.398 -0.455 0.816 1.00 0.00 C ATOM 344 O LEU A 22 -9.976 -0.943 -0.155 1.00 0.00 O ATOM 345 CB LEU A 22 -7.600 1.256 0.506 1.00 0.00 C ATOM 346 CG LEU A 22 -7.197 0.802 -0.900 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.983 -0.703 -0.935 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.247 1.217 -1.922 1.00 0.00 C ATOM 0 H LEU A 22 -8.839 1.024 2.956 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.671 1.561 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.389 2.321 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.971 0.740 1.231 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.257 1.289 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.697 -1.007 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.192 -0.974 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.906 -1.208 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.941 0.885 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.204 0.762 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.349 2.302 -1.919 1.00 0.00 H new ATOM 360 N TYR A 23 -9.068 -1.146 1.891 1.00 0.00 N ATOM 361 CA TYR A 23 -9.369 -2.545 2.000 1.00 0.00 C ATOM 362 C TYR A 23 -10.839 -2.706 2.383 1.00 0.00 C ATOM 363 O TYR A 23 -11.423 -3.765 2.173 1.00 0.00 O ATOM 364 CB TYR A 23 -8.432 -3.214 3.014 1.00 0.00 C ATOM 365 CG TYR A 23 -9.125 -3.819 4.209 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.934 -4.930 4.063 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.984 -3.272 5.475 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.582 -5.491 5.138 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.628 -3.818 6.559 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.427 -4.931 6.391 1.00 0.00 C ATOM 371 OH TYR A 23 -11.073 -5.479 7.474 1.00 0.00 O ATOM 0 H TYR A 23 -8.589 -0.751 2.700 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.207 -3.041 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.866 -3.995 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.711 -2.475 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.060 -5.367 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.358 -2.403 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.207 -6.362 5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.510 -3.378 7.538 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.514 -5.379 8.273 1.00 0.00 H new ATOM 381 N SER A 24 -11.452 -1.637 2.923 1.00 0.00 N ATOM 382 CA SER A 24 -12.863 -1.688 3.291 1.00 0.00 C ATOM 383 C SER A 24 -13.665 -2.235 2.120 1.00 0.00 C ATOM 384 O SER A 24 -14.553 -3.070 2.289 1.00 0.00 O ATOM 385 CB SER A 24 -13.370 -0.299 3.689 1.00 0.00 C ATOM 386 OG SER A 24 -14.740 -0.135 3.365 1.00 0.00 O ATOM 0 H SER A 24 -10.994 -0.745 3.109 1.00 0.00 H new ATOM 0 HA SER A 24 -12.986 -2.346 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.228 -0.151 4.760 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.781 0.464 3.181 1.00 0.00 H new ATOM 0 HG SER A 24 -15.035 0.761 3.633 1.00 0.00 H new ATOM 392 N ALA A 25 -13.304 -1.784 0.921 1.00 0.00 N ATOM 393 CA ALA A 25 -13.945 -2.256 -0.293 1.00 0.00 C ATOM 394 C ALA A 25 -13.483 -3.675 -0.567 1.00 0.00 C ATOM 395 O ALA A 25 -14.256 -4.525 -1.009 1.00 0.00 O ATOM 396 CB ALA A 25 -13.618 -1.344 -1.465 1.00 0.00 C ATOM 0 H ALA A 25 -12.570 -1.092 0.769 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.027 -2.244 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.109 -1.717 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.971 -0.335 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.539 -1.325 -1.622 1.00 0.00 H new ATOM 402 N ALA A 26 -12.210 -3.923 -0.274 1.00 0.00 N ATOM 403 CA ALA A 26 -11.627 -5.245 -0.458 1.00 0.00 C ATOM 404 C ALA A 26 -12.256 -6.254 0.501 1.00 0.00 C ATOM 405 O ALA A 26 -12.308 -7.447 0.212 1.00 0.00 O ATOM 406 CB ALA A 26 -10.122 -5.193 -0.250 1.00 0.00 C ATOM 0 H ALA A 26 -11.563 -3.224 0.092 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.831 -5.567 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.701 -6.188 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.679 -4.506 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.906 -4.847 0.761 1.00 0.00 H new ATOM 412 N SER A 27 -12.730 -5.762 1.641 1.00 0.00 N ATOM 413 CA SER A 27 -13.358 -6.614 2.644 1.00 0.00 C ATOM 414 C SER A 27 -14.682 -7.156 2.124 1.00 0.00 C ATOM 415 O SER A 27 -14.946 -8.356 2.196 1.00 0.00 O ATOM 416 CB SER A 27 -13.585 -5.830 3.940 1.00 0.00 C ATOM 417 OG SER A 27 -14.816 -5.129 3.907 1.00 0.00 O ATOM 0 H SER A 27 -12.691 -4.775 1.894 1.00 0.00 H new ATOM 0 HA SER A 27 -12.693 -7.452 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.576 -6.514 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.767 -5.126 4.090 1.00 0.00 H new ATOM 0 HG SER A 27 -14.666 -4.220 3.573 1.00 0.00 H new ATOM 423 N LYS A 28 -15.511 -6.262 1.586 1.00 0.00 N ATOM 424 CA LYS A 28 -16.806 -6.653 1.041 1.00 0.00 C ATOM 425 C LYS A 28 -16.631 -7.766 0.017 1.00 0.00 C ATOM 426 O LYS A 28 -17.487 -8.639 -0.125 1.00 0.00 O ATOM 427 CB LYS A 28 -17.498 -5.450 0.395 1.00 0.00 C ATOM 428 CG LYS A 28 -17.721 -4.291 1.353 1.00 0.00 C ATOM 429 CD LYS A 28 -18.749 -4.638 2.418 1.00 0.00 C ATOM 430 CE LYS A 28 -19.628 -3.444 2.753 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.416 -2.986 1.575 1.00 0.00 N ATOM 0 H LYS A 28 -15.308 -5.265 1.517 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.429 -7.019 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.898 -5.105 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.460 -5.768 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.778 -4.025 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.054 -3.416 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.371 -5.463 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.240 -4.981 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.307 -3.709 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.006 -2.625 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.312 -2.569 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.872 -2.273 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.615 -3.796 0.954 1.00 0.00 H new ATOM 445 N GLN A 29 -15.502 -7.733 -0.685 1.00 0.00 N ATOM 446 CA GLN A 29 -15.195 -8.743 -1.687 1.00 0.00 C ATOM 447 C GLN A 29 -14.511 -9.938 -1.035 1.00 0.00 C ATOM 448 O GLN A 29 -14.839 -11.087 -1.331 1.00 0.00 O ATOM 449 CB GLN A 29 -14.300 -8.157 -2.780 1.00 0.00 C ATOM 450 CG GLN A 29 -15.022 -7.190 -3.704 1.00 0.00 C ATOM 451 CD GLN A 29 -14.658 -5.743 -3.436 1.00 0.00 C ATOM 452 OE1 GLN A 29 -15.522 -4.919 -3.135 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.373 -5.427 -3.543 1.00 0.00 N ATOM 0 H GLN A 29 -14.785 -7.016 -0.577 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.128 -9.075 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.460 -7.642 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.884 -8.972 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.782 -7.435 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.098 -7.317 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.691 -6.143 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.068 -4.469 -3.373 1.00 0.00 H new ATOM 462 N ASN A 30 -13.550 -9.648 -0.148 1.00 0.00 N ATOM 463 CA ASN A 30 -12.789 -10.678 0.566 1.00 0.00 C ATOM 464 C ASN A 30 -11.434 -10.870 -0.090 1.00 0.00 C ATOM 465 O ASN A 30 -10.879 -11.969 -0.091 1.00 0.00 O ATOM 466 CB ASN A 30 -13.542 -12.012 0.622 1.00 0.00 C ATOM 467 CG ASN A 30 -13.030 -12.918 1.726 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.899 -12.502 2.876 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.736 -14.166 1.378 1.00 0.00 N ATOM 0 H ASN A 30 -13.280 -8.695 0.093 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.653 -10.336 1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.604 -11.821 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.445 -12.521 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.386 -14.821 2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.860 -14.469 0.412 1.00 0.00 H new ATOM 476 N LYS A 31 -10.909 -9.787 -0.649 1.00 0.00 N ATOM 477 CA LYS A 31 -9.619 -9.825 -1.313 1.00 0.00 C ATOM 478 C LYS A 31 -8.489 -9.506 -0.338 1.00 0.00 C ATOM 479 O LYS A 31 -7.353 -9.302 -0.756 1.00 0.00 O ATOM 480 CB LYS A 31 -9.596 -8.841 -2.483 1.00 0.00 C ATOM 481 CG LYS A 31 -10.074 -9.447 -3.793 1.00 0.00 C ATOM 482 CD LYS A 31 -11.516 -9.069 -4.090 1.00 0.00 C ATOM 483 CE LYS A 31 -11.736 -8.834 -5.576 1.00 0.00 C ATOM 484 NZ LYS A 31 -13.066 -9.328 -6.026 1.00 0.00 N ATOM 0 H LYS A 31 -11.360 -8.872 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.466 -10.835 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.222 -7.983 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.580 -8.467 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.433 -9.108 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.984 -10.532 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.180 -9.861 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.779 -8.168 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.653 -7.769 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.952 -9.336 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.951 -9.898 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.490 -9.913 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.687 -8.518 -6.226 1.00 0.00 H new ATOM 498 N LEU A 32 -8.798 -9.476 0.962 1.00 0.00 N ATOM 499 CA LEU A 32 -7.793 -9.195 1.979 1.00 0.00 C ATOM 500 C LEU A 32 -6.521 -9.998 1.726 1.00 0.00 C ATOM 501 O LEU A 32 -5.426 -9.566 2.076 1.00 0.00 O ATOM 502 CB LEU A 32 -8.367 -9.511 3.353 1.00 0.00 C ATOM 503 CG LEU A 32 -9.247 -8.407 3.938 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.389 -7.425 4.723 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.025 -7.690 2.841 1.00 0.00 C ATOM 0 H LEU A 32 -9.735 -9.643 1.329 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.528 -8.139 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.952 -10.428 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.544 -9.706 4.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.972 -8.860 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.021 -6.640 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.884 -7.950 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.646 -6.980 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.643 -6.909 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.327 -7.242 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.662 -8.405 2.320 1.00 0.00 H new ATOM 517 N GLU A 33 -6.671 -11.155 1.093 1.00 0.00 N ATOM 518 CA GLU A 33 -5.525 -11.997 0.772 1.00 0.00 C ATOM 519 C GLU A 33 -4.750 -11.401 -0.399 1.00 0.00 C ATOM 520 O GLU A 33 -3.526 -11.516 -0.474 1.00 0.00 O ATOM 521 CB GLU A 33 -5.983 -13.417 0.433 1.00 0.00 C ATOM 522 CG GLU A 33 -6.432 -14.218 1.644 1.00 0.00 C ATOM 523 CD GLU A 33 -5.356 -15.153 2.159 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.515 -14.705 2.966 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.354 -16.335 1.752 1.00 0.00 O ATOM 0 H GLU A 33 -7.571 -11.531 0.793 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.871 -12.043 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.804 -13.364 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.166 -13.945 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.723 -13.533 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.317 -14.798 1.383 1.00 0.00 H new ATOM 532 N GLN A 34 -5.477 -10.751 -1.302 1.00 0.00 N ATOM 533 CA GLN A 34 -4.876 -10.114 -2.469 1.00 0.00 C ATOM 534 C GLN A 34 -4.442 -8.683 -2.150 1.00 0.00 C ATOM 535 O GLN A 34 -3.738 -8.051 -2.936 1.00 0.00 O ATOM 536 CB GLN A 34 -5.863 -10.115 -3.640 1.00 0.00 C ATOM 537 CG GLN A 34 -5.487 -11.082 -4.750 1.00 0.00 C ATOM 538 CD GLN A 34 -4.896 -10.383 -5.959 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.304 -10.629 -7.094 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.927 -9.507 -5.720 1.00 0.00 N ATOM 0 H GLN A 34 -6.491 -10.651 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.991 -10.685 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.855 -10.370 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.926 -9.108 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.769 -11.807 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.372 -11.641 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.620 -9.334 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.489 -9.007 -6.494 1.00 0.00 H new ATOM 549 N VAL A 35 -4.864 -8.178 -0.992 1.00 0.00 N ATOM 550 CA VAL A 35 -4.513 -6.825 -0.575 1.00 0.00 C ATOM 551 C VAL A 35 -3.519 -6.857 0.583 1.00 0.00 C ATOM 552 O VAL A 35 -2.695 -5.956 0.730 1.00 0.00 O ATOM 553 CB VAL A 35 -5.753 -6.010 -0.126 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.639 -4.569 -0.597 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.058 -6.639 -0.616 1.00 0.00 C ATOM 0 H VAL A 35 -5.448 -8.686 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.069 -6.342 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.778 -6.023 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.517 -4.010 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.744 -4.117 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.574 -4.546 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.901 -6.036 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.055 -6.682 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.149 -7.648 -0.213 1.00 0.00 H new ATOM 565 N GLU A 36 -3.604 -7.904 1.396 1.00 0.00 N ATOM 566 CA GLU A 36 -2.713 -8.062 2.542 1.00 0.00 C ATOM 567 C GLU A 36 -1.318 -8.417 2.066 1.00 0.00 C ATOM 568 O GLU A 36 -0.338 -7.773 2.439 1.00 0.00 O ATOM 569 CB GLU A 36 -3.233 -9.141 3.494 1.00 0.00 C ATOM 570 CG GLU A 36 -2.356 -9.349 4.717 1.00 0.00 C ATOM 571 CD GLU A 36 -2.832 -10.495 5.588 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.966 -10.419 6.102 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.068 -11.470 5.755 1.00 0.00 O ATOM 0 H GLU A 36 -4.282 -8.658 1.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.679 -7.117 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.238 -8.872 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.315 -10.083 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.332 -9.542 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.338 -8.432 5.307 1.00 0.00 H new ATOM 580 N LYS A 37 -1.242 -9.426 1.208 1.00 0.00 N ATOM 581 CA LYS A 37 0.032 -9.837 0.647 1.00 0.00 C ATOM 582 C LYS A 37 0.548 -8.718 -0.237 1.00 0.00 C ATOM 583 O LYS A 37 1.753 -8.535 -0.400 1.00 0.00 O ATOM 584 CB LYS A 37 -0.119 -11.129 -0.157 1.00 0.00 C ATOM 585 CG LYS A 37 0.132 -12.387 0.659 1.00 0.00 C ATOM 586 CD LYS A 37 1.587 -12.494 1.083 1.00 0.00 C ATOM 587 CE LYS A 37 2.060 -13.938 1.093 1.00 0.00 C ATOM 588 NZ LYS A 37 1.570 -14.676 2.290 1.00 0.00 N ATOM 0 H LYS A 37 -2.044 -9.970 0.889 1.00 0.00 H new ATOM 0 HA LYS A 37 0.741 -10.033 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.125 -11.172 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.574 -11.107 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.506 -12.382 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.143 -13.264 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.209 -11.911 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.710 -12.063 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.712 -14.440 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.150 -13.963 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.915 -15.657 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.922 -14.213 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.530 -14.675 2.297 1.00 0.00 H new ATOM 602 N GLU A 38 -0.393 -7.953 -0.789 1.00 0.00 N ATOM 603 CA GLU A 38 -0.065 -6.830 -1.637 1.00 0.00 C ATOM 604 C GLU A 38 0.107 -5.558 -0.799 1.00 0.00 C ATOM 605 O GLU A 38 0.187 -4.454 -1.333 1.00 0.00 O ATOM 606 CB GLU A 38 -1.164 -6.646 -2.679 1.00 0.00 C ATOM 607 CG GLU A 38 -1.139 -7.688 -3.789 1.00 0.00 C ATOM 608 CD GLU A 38 -1.063 -9.111 -3.264 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.022 -9.513 -2.796 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.086 -9.822 -3.328 1.00 0.00 O ATOM 0 H GLU A 38 -1.394 -8.100 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 38 0.879 -7.026 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.133 -6.682 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.070 -5.655 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.034 -7.580 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.284 -7.500 -4.438 1.00 0.00 H new ATOM 617 N LEU A 39 0.184 -5.724 0.519 1.00 0.00 N ATOM 618 CA LEU A 39 0.375 -4.598 1.421 1.00 0.00 C ATOM 619 C LEU A 39 1.778 -4.651 2.010 1.00 0.00 C ATOM 620 O LEU A 39 2.397 -3.617 2.266 1.00 0.00 O ATOM 621 CB LEU A 39 -0.673 -4.612 2.539 1.00 0.00 C ATOM 622 CG LEU A 39 -1.525 -3.343 2.641 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.895 -3.566 2.019 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.661 -2.906 4.092 1.00 0.00 C ATOM 0 H LEU A 39 0.117 -6.629 0.984 1.00 0.00 H new ATOM 0 HA LEU A 39 0.255 -3.672 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.334 -5.465 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.165 -4.769 3.491 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.024 -2.548 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.485 -2.653 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.779 -3.829 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.404 -4.376 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.269 -2.003 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.138 -3.699 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.673 -2.702 4.505 1.00 0.00 H new ATOM 636 N LEU A 40 2.281 -5.867 2.201 1.00 0.00 N ATOM 637 CA LEU A 40 3.619 -6.061 2.736 1.00 0.00 C ATOM 638 C LEU A 40 4.662 -5.702 1.684 1.00 0.00 C ATOM 639 O LEU A 40 5.777 -5.298 2.013 1.00 0.00 O ATOM 640 CB LEU A 40 3.808 -7.510 3.190 1.00 0.00 C ATOM 641 CG LEU A 40 5.053 -7.766 4.040 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.840 -7.271 5.462 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.407 -9.245 4.035 1.00 0.00 C ATOM 0 H LEU A 40 1.780 -6.731 1.992 1.00 0.00 H new ATOM 0 HA LEU A 40 3.746 -5.406 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.930 -7.814 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.852 -8.148 2.307 1.00 0.00 H new ATOM 0 HG LEU A 40 5.886 -7.212 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.737 -7.462 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.636 -6.200 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.995 -7.796 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.295 -9.409 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.576 -9.819 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.604 -9.569 3.013 1.00 0.00 H new ATOM 655 N ARG A 41 4.288 -5.846 0.413 1.00 0.00 N ATOM 656 CA ARG A 41 5.191 -5.527 -0.685 1.00 0.00 C ATOM 657 C ARG A 41 5.492 -4.033 -0.713 1.00 0.00 C ATOM 658 O ARG A 41 6.640 -3.626 -0.884 1.00 0.00 O ATOM 659 CB ARG A 41 4.580 -5.962 -2.020 1.00 0.00 C ATOM 660 CG ARG A 41 4.560 -7.470 -2.215 1.00 0.00 C ATOM 661 CD ARG A 41 5.813 -7.956 -2.925 1.00 0.00 C ATOM 662 NE ARG A 41 6.905 -8.220 -1.990 1.00 0.00 N ATOM 663 CZ ARG A 41 8.057 -8.789 -2.336 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.273 -9.155 -3.593 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.997 -8.993 -1.422 1.00 0.00 N ATOM 0 H ARG A 41 3.369 -6.180 0.122 1.00 0.00 H new ATOM 0 HA ARG A 41 6.124 -6.069 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.561 -5.582 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.143 -5.506 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.475 -7.962 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.680 -7.752 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.585 -8.865 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.131 -7.208 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 41 6.776 -7.952 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.554 -9.001 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.158 -9.591 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.836 -8.714 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.880 -9.429 -1.687 1.00 0.00 H new ATOM 679 N VAL A 42 4.454 -3.221 -0.535 1.00 0.00 N ATOM 680 CA VAL A 42 4.611 -1.772 -0.534 1.00 0.00 C ATOM 681 C VAL A 42 5.508 -1.321 0.615 1.00 0.00 C ATOM 682 O VAL A 42 6.097 -0.240 0.569 1.00 0.00 O ATOM 683 CB VAL A 42 3.248 -1.060 -0.427 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.420 0.450 -0.532 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.296 -1.571 -1.496 1.00 0.00 C ATOM 0 H VAL A 42 3.497 -3.542 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 42 5.077 -1.499 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 42 2.818 -1.284 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.446 0.933 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.064 0.800 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.873 0.699 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.339 -1.058 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.719 -1.379 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.146 -2.643 -1.368 1.00 0.00 H new ATOM 695 N GLY A 43 5.614 -2.159 1.642 1.00 0.00 N ATOM 696 CA GLY A 43 6.448 -1.833 2.782 1.00 0.00 C ATOM 697 C GLY A 43 7.913 -2.098 2.506 1.00 0.00 C ATOM 698 O GLY A 43 8.780 -1.325 2.912 1.00 0.00 O ATOM 0 H GLY A 43 5.136 -3.058 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.312 -0.783 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.129 -2.419 3.644 1.00 0.00 H new ATOM 702 N GLN A 44 8.186 -3.193 1.804 1.00 0.00 N ATOM 703 CA GLN A 44 9.554 -3.559 1.461 1.00 0.00 C ATOM 704 C GLN A 44 10.133 -2.569 0.458 1.00 0.00 C ATOM 705 O GLN A 44 11.335 -2.301 0.455 1.00 0.00 O ATOM 706 CB GLN A 44 9.599 -4.976 0.886 1.00 0.00 C ATOM 707 CG GLN A 44 10.866 -5.736 1.242 1.00 0.00 C ATOM 708 CD GLN A 44 12.043 -5.348 0.369 1.00 0.00 C ATOM 709 OE1 GLN A 44 12.778 -4.410 0.678 1.00 0.00 O ATOM 710 NE2 GLN A 44 12.229 -6.071 -0.730 1.00 0.00 N ATOM 0 H GLN A 44 7.477 -3.842 1.462 1.00 0.00 H new ATOM 0 HA GLN A 44 10.156 -3.530 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.736 -5.534 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.510 -4.922 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.116 -5.549 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.683 -6.806 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.595 -6.840 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.005 -5.857 -1.356 1.00 0.00 H new ATOM 719 N ILE A 45 9.266 -2.022 -0.391 1.00 0.00 N ATOM 720 CA ILE A 45 9.688 -1.056 -1.396 1.00 0.00 C ATOM 721 C ILE A 45 10.293 0.176 -0.735 1.00 0.00 C ATOM 722 O ILE A 45 11.178 0.820 -1.296 1.00 0.00 O ATOM 723 CB ILE A 45 8.503 -0.639 -2.297 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.949 -1.860 -3.033 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.923 0.433 -3.296 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.512 -1.698 -3.478 1.00 0.00 C ATOM 0 H ILE A 45 8.268 -2.233 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 45 10.445 -1.533 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 45 7.723 -0.220 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.570 -2.061 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.023 -2.731 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.070 0.707 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.278 1.312 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.722 0.048 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.186 -2.602 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.879 -1.528 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.434 -0.847 -4.155 1.00 0.00 H new ATOM 738 N LEU A 46 9.826 0.492 0.466 1.00 0.00 N ATOM 739 CA LEU A 46 10.345 1.639 1.196 1.00 0.00 C ATOM 740 C LEU A 46 11.596 1.248 1.972 1.00 0.00 C ATOM 741 O LEU A 46 12.493 2.065 2.180 1.00 0.00 O ATOM 742 CB LEU A 46 9.290 2.201 2.150 1.00 0.00 C ATOM 743 CG LEU A 46 9.721 3.448 2.927 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.450 4.424 2.015 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.515 4.115 3.570 1.00 0.00 C ATOM 0 H LEU A 46 9.094 -0.026 0.952 1.00 0.00 H new ATOM 0 HA LEU A 46 10.602 2.414 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.394 2.440 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.015 1.424 2.863 1.00 0.00 H new ATOM 0 HG LEU A 46 10.408 3.142 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.748 5.303 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.336 3.943 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.789 4.726 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.838 5.000 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.805 4.407 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.036 3.417 4.257 1.00 0.00 H new ATOM 757 N LYS A 47 11.652 -0.013 2.388 1.00 0.00 N ATOM 758 CA LYS A 47 12.796 -0.523 3.130 1.00 0.00 C ATOM 759 C LYS A 47 13.976 -0.759 2.194 1.00 0.00 C ATOM 760 O LYS A 47 15.133 -0.709 2.612 1.00 0.00 O ATOM 761 CB LYS A 47 12.430 -1.822 3.849 1.00 0.00 C ATOM 762 CG LYS A 47 13.419 -2.218 4.933 1.00 0.00 C ATOM 763 CD LYS A 47 13.566 -3.727 5.029 1.00 0.00 C ATOM 764 CE LYS A 47 14.790 -4.217 4.274 1.00 0.00 C ATOM 765 NZ LYS A 47 15.976 -4.350 5.165 1.00 0.00 N ATOM 0 H LYS A 47 10.917 -0.700 2.223 1.00 0.00 H new ATOM 0 HA LYS A 47 13.082 0.221 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.441 -1.715 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.365 -2.627 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.390 -1.770 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.086 -1.822 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.642 -4.020 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.673 -4.207 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.571 -5.181 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.020 -3.523 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.790 -4.687 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.201 -3.425 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.767 -5.031 5.922 1.00 0.00 H new ATOM 779 N GLU A 48 13.676 -1.013 0.921 1.00 0.00 N ATOM 780 CA GLU A 48 14.712 -1.252 -0.076 1.00 0.00 C ATOM 781 C GLU A 48 15.688 -0.077 -0.133 1.00 0.00 C ATOM 782 O GLU A 48 15.317 1.023 -0.540 1.00 0.00 O ATOM 783 CB GLU A 48 14.075 -1.469 -1.450 1.00 0.00 C ATOM 784 CG GLU A 48 14.035 -2.927 -1.879 1.00 0.00 C ATOM 785 CD GLU A 48 13.819 -3.090 -3.370 1.00 0.00 C ATOM 786 OE1 GLU A 48 12.696 -2.816 -3.841 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.775 -3.491 -4.068 1.00 0.00 O ATOM 0 H GLU A 48 12.724 -1.058 0.558 1.00 0.00 H new ATOM 0 HA GLU A 48 15.265 -2.147 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.059 -1.075 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.629 -0.895 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.970 -3.411 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.236 -3.438 -1.342 1.00 0.00 H new ATOM 794 N PRO A 49 16.954 -0.287 0.276 1.00 0.00 N ATOM 795 CA PRO A 49 17.969 0.772 0.266 1.00 0.00 C ATOM 796 C PRO A 49 18.063 1.476 -1.082 1.00 0.00 C ATOM 797 O PRO A 49 18.233 2.694 -1.146 1.00 0.00 O ATOM 798 CB PRO A 49 19.268 0.023 0.573 1.00 0.00 C ATOM 799 CG PRO A 49 18.838 -1.183 1.334 1.00 0.00 C ATOM 800 CD PRO A 49 17.492 -1.565 0.782 1.00 0.00 C ATOM 0 HA PRO A 49 17.739 1.562 0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.792 -0.252 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.951 0.638 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.554 -1.996 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.775 -0.969 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.579 -2.307 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.850 -1.995 1.551 1.00 0.00 H new ATOM 808 N LYS A 50 17.944 0.707 -2.159 1.00 0.00 N ATOM 809 CA LYS A 50 18.007 1.265 -3.505 1.00 0.00 C ATOM 810 C LYS A 50 16.636 1.769 -3.952 1.00 0.00 C ATOM 811 O LYS A 50 16.472 2.228 -5.083 1.00 0.00 O ATOM 812 CB LYS A 50 18.524 0.215 -4.490 1.00 0.00 C ATOM 813 CG LYS A 50 17.658 -1.032 -4.561 1.00 0.00 C ATOM 814 CD LYS A 50 18.199 -2.138 -3.670 1.00 0.00 C ATOM 815 CE LYS A 50 18.043 -3.503 -4.318 1.00 0.00 C ATOM 816 NZ LYS A 50 18.634 -3.539 -5.686 1.00 0.00 N ATOM 0 H LYS A 50 17.804 -0.303 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 50 18.696 2.110 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.587 0.660 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.536 -0.072 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.640 -0.786 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.610 -1.384 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.252 -1.953 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.675 -2.126 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.523 -4.258 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.985 -3.760 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.973 -4.500 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.911 -3.269 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.431 -2.873 -5.738 1.00 0.00 H new ATOM 830 N MET A 51 15.653 1.674 -3.060 1.00 0.00 N ATOM 831 CA MET A 51 14.297 2.115 -3.360 1.00 0.00 C ATOM 832 C MET A 51 13.867 3.251 -2.435 1.00 0.00 C ATOM 833 O MET A 51 12.993 4.046 -2.783 1.00 0.00 O ATOM 834 CB MET A 51 13.329 0.941 -3.232 1.00 0.00 C ATOM 835 CG MET A 51 11.976 1.191 -3.876 1.00 0.00 C ATOM 836 SD MET A 51 12.102 1.577 -5.633 1.00 0.00 S ATOM 837 CE MET A 51 11.028 3.007 -5.743 1.00 0.00 C ATOM 0 H MET A 51 15.773 1.294 -2.121 1.00 0.00 H new ATOM 0 HA MET A 51 14.280 2.489 -4.384 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.780 0.059 -3.686 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.182 0.716 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.348 0.310 -3.746 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.480 2.014 -3.362 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.263 3.570 -6.646 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.989 2.680 -5.780 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.177 3.642 -4.870 1.00 0.00 H new ATOM 847 N ALA A 52 14.481 3.326 -1.257 1.00 0.00 N ATOM 848 CA ALA A 52 14.153 4.367 -0.291 1.00 0.00 C ATOM 849 C ALA A 52 14.410 5.753 -0.871 1.00 0.00 C ATOM 850 O ALA A 52 13.537 6.621 -0.842 1.00 0.00 O ATOM 851 CB ALA A 52 14.952 4.172 0.988 1.00 0.00 C ATOM 0 H ALA A 52 15.207 2.679 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 52 13.091 4.290 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.696 4.957 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.716 3.199 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.017 4.220 0.762 1.00 0.00 H new ATOM 857 N ALA A 53 15.613 5.954 -1.399 1.00 0.00 N ATOM 858 CA ALA A 53 15.984 7.234 -1.986 1.00 0.00 C ATOM 859 C ALA A 53 15.140 7.536 -3.219 1.00 0.00 C ATOM 860 O ALA A 53 14.823 8.692 -3.499 1.00 0.00 O ATOM 861 CB ALA A 53 17.463 7.241 -2.343 1.00 0.00 C ATOM 0 H ALA A 53 16.347 5.246 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 53 15.795 8.014 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.727 8.204 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.055 7.077 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.668 6.447 -3.061 1.00 0.00 H new ATOM 867 N SER A 54 14.779 6.489 -3.953 1.00 0.00 N ATOM 868 CA SER A 54 13.971 6.641 -5.157 1.00 0.00 C ATOM 869 C SER A 54 12.515 6.940 -4.808 1.00 0.00 C ATOM 870 O SER A 54 11.782 7.517 -5.611 1.00 0.00 O ATOM 871 CB SER A 54 14.050 5.377 -6.012 1.00 0.00 C ATOM 872 OG SER A 54 15.292 4.718 -5.835 1.00 0.00 O ATOM 0 H SER A 54 15.033 5.526 -3.735 1.00 0.00 H new ATOM 0 HA SER A 54 14.369 7.483 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.236 4.703 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.919 5.636 -7.063 1.00 0.00 H new ATOM 0 HG SER A 54 15.264 3.843 -6.275 1.00 0.00 H new ATOM 878 N LEU A 55 12.103 6.546 -3.607 1.00 0.00 N ATOM 879 CA LEU A 55 10.736 6.778 -3.154 1.00 0.00 C ATOM 880 C LEU A 55 10.650 8.059 -2.330 1.00 0.00 C ATOM 881 O LEU A 55 9.799 8.189 -1.450 1.00 0.00 O ATOM 882 CB LEU A 55 10.243 5.588 -2.327 1.00 0.00 C ATOM 883 CG LEU A 55 8.795 5.175 -2.587 1.00 0.00 C ATOM 884 CD1 LEU A 55 8.618 4.727 -4.031 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.376 4.069 -1.630 1.00 0.00 C ATOM 0 H LEU A 55 12.696 6.065 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 55 10.099 6.888 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.890 4.734 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.352 5.830 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 55 8.155 6.040 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.581 4.437 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.877 5.547 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.269 3.876 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.342 3.787 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.022 3.202 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.464 4.424 -0.603 1.00 0.00 H new ATOM 897 N LEU A 56 11.539 9.001 -2.624 1.00 0.00 N ATOM 898 CA LEU A 56 11.571 10.275 -1.914 1.00 0.00 C ATOM 899 C LEU A 56 12.382 11.315 -2.686 1.00 0.00 C ATOM 900 O LEU A 56 12.090 12.509 -2.625 1.00 0.00 O ATOM 901 CB LEU A 56 12.159 10.089 -0.515 1.00 0.00 C ATOM 902 CG LEU A 56 13.603 9.585 -0.478 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.577 10.750 -0.589 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.858 8.794 0.796 1.00 0.00 C ATOM 0 H LEU A 56 12.249 8.906 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 56 10.546 10.636 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.110 11.042 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.532 9.388 0.035 1.00 0.00 H new ATOM 0 HG LEU A 56 13.760 8.924 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.599 10.373 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.410 11.276 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.420 11.436 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.890 8.443 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.684 9.433 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.183 7.939 0.834 1.00 0.00 H new ATOM 916 N ASN A 57 13.403 10.857 -3.411 1.00 0.00 N ATOM 917 CA ASN A 57 14.252 11.754 -4.191 1.00 0.00 C ATOM 918 C ASN A 57 13.416 12.705 -5.046 1.00 0.00 C ATOM 919 O ASN A 57 12.320 12.356 -5.487 1.00 0.00 O ATOM 920 CB ASN A 57 15.195 10.945 -5.085 1.00 0.00 C ATOM 921 CG ASN A 57 14.452 9.956 -5.962 1.00 0.00 C ATOM 922 OD1 ASN A 57 13.383 9.466 -5.596 1.00 0.00 O ATOM 923 ND2 ASN A 57 15.016 9.656 -7.126 1.00 0.00 N ATOM 0 H ASN A 57 13.661 9.872 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 57 14.839 12.350 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.768 11.626 -5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.911 10.408 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.562 8.996 -7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.903 10.086 -7.389 1.00 0.00 H new ATOM 930 N PRO A 58 13.922 13.926 -5.290 1.00 0.00 N ATOM 931 CA PRO A 58 13.217 14.929 -6.093 1.00 0.00 C ATOM 932 C PRO A 58 13.274 14.634 -7.591 1.00 0.00 C ATOM 933 O PRO A 58 12.672 15.348 -8.393 1.00 0.00 O ATOM 934 CB PRO A 58 13.970 16.219 -5.775 1.00 0.00 C ATOM 935 CG PRO A 58 15.356 15.774 -5.456 1.00 0.00 C ATOM 936 CD PRO A 58 15.222 14.426 -4.799 1.00 0.00 C ATOM 0 HA PRO A 58 12.153 14.963 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.959 16.904 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.519 16.745 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.962 15.708 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.850 16.484 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.039 13.761 -5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.235 14.507 -3.712 1.00 0.00 H new ATOM 944 N TYR A 59 14.000 13.584 -7.964 1.00 0.00 N ATOM 945 CA TYR A 59 14.130 13.207 -9.367 1.00 0.00 C ATOM 946 C TYR A 59 13.042 12.216 -9.769 1.00 0.00 C ATOM 947 O TYR A 59 12.607 12.190 -10.920 1.00 0.00 O ATOM 948 CB TYR A 59 15.510 12.602 -9.627 1.00 0.00 C ATOM 949 CG TYR A 59 16.652 13.552 -9.341 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.968 13.916 -8.039 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.413 14.084 -10.374 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.010 14.784 -7.773 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.457 14.953 -10.117 1.00 0.00 C ATOM 954 CZ TYR A 59 18.750 15.299 -8.816 1.00 0.00 C ATOM 955 OH TYR A 59 19.788 16.165 -8.555 1.00 0.00 O ATOM 0 H TYR A 59 14.506 12.981 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 59 14.015 14.107 -9.971 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.628 11.710 -9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.567 12.282 -10.667 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.390 13.514 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.185 13.814 -11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.243 15.057 -6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.039 15.358 -10.931 1.00 0.00 H new ATOM 0 HH TYR A 59 20.208 16.435 -9.398 1.00 0.00 H new ATOM 965 N VAL A 60 12.609 11.401 -8.813 1.00 0.00 N ATOM 966 CA VAL A 60 11.572 10.408 -9.068 1.00 0.00 C ATOM 967 C VAL A 60 10.261 11.066 -9.493 1.00 0.00 C ATOM 968 O VAL A 60 9.390 10.416 -10.071 1.00 0.00 O ATOM 969 CB VAL A 60 11.320 9.529 -7.827 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.740 10.353 -6.686 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.404 8.367 -8.177 1.00 0.00 C ATOM 0 H VAL A 60 12.960 11.409 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 60 11.933 9.779 -9.882 1.00 0.00 H new ATOM 0 HB VAL A 60 12.276 9.124 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.571 9.710 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.439 11.145 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.794 10.794 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.236 7.756 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.450 8.752 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.868 7.759 -8.954 1.00 0.00 H new ATOM 981 N LYS A 61 10.123 12.358 -9.203 1.00 0.00 N ATOM 982 CA LYS A 61 8.917 13.097 -9.558 1.00 0.00 C ATOM 983 C LYS A 61 7.673 12.429 -8.979 1.00 0.00 C ATOM 984 O LYS A 61 7.756 11.367 -8.364 1.00 0.00 O ATOM 985 CB LYS A 61 8.791 13.205 -11.079 1.00 0.00 C ATOM 986 CG LYS A 61 9.434 14.455 -11.655 1.00 0.00 C ATOM 987 CD LYS A 61 9.468 14.416 -13.174 1.00 0.00 C ATOM 988 CE LYS A 61 8.075 14.553 -13.766 1.00 0.00 C ATOM 989 NZ LYS A 61 7.725 15.975 -14.037 1.00 0.00 N ATOM 0 H LYS A 61 10.832 12.913 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 61 8.998 14.097 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.248 12.328 -11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.735 13.192 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.881 15.335 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.449 14.554 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.103 15.220 -13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.915 13.478 -13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.016 13.982 -14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.345 14.124 -13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.768 16.026 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.756 16.515 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.407 16.378 -14.711 1.00 0.00 H new ATOM 1003 N ARG A 62 6.521 13.061 -9.181 1.00 0.00 N ATOM 1004 CA ARG A 62 5.259 12.528 -8.681 1.00 0.00 C ATOM 1005 C ARG A 62 4.496 11.809 -9.788 1.00 0.00 C ATOM 1006 O ARG A 62 3.768 10.849 -9.532 1.00 0.00 O ATOM 1007 CB ARG A 62 4.400 13.654 -8.102 1.00 0.00 C ATOM 1008 CG ARG A 62 3.579 13.233 -6.894 1.00 0.00 C ATOM 1009 CD ARG A 62 2.264 13.992 -6.823 1.00 0.00 C ATOM 1010 NE ARG A 62 2.461 15.396 -6.468 1.00 0.00 N ATOM 1011 CZ ARG A 62 2.706 15.820 -5.230 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.785 14.954 -4.227 1.00 0.00 N ATOM 1013 NH2 ARG A 62 2.873 17.114 -4.995 1.00 0.00 N ATOM 0 H ARG A 62 6.436 13.942 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 62 5.483 11.809 -7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.047 14.485 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.728 14.022 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.380 12.162 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.152 13.410 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.757 13.929 -7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.612 13.520 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 62 2.408 16.092 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.658 13.957 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.973 15.285 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.814 17.783 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.061 17.440 -4.047 1.00 0.00 H new ATOM 1027 N SER A 63 4.665 12.279 -11.020 1.00 0.00 N ATOM 1028 CA SER A 63 3.993 11.681 -12.167 1.00 0.00 C ATOM 1029 C SER A 63 4.785 10.493 -12.702 1.00 0.00 C ATOM 1030 O SER A 63 4.212 9.465 -13.064 1.00 0.00 O ATOM 1031 CB SER A 63 3.798 12.720 -13.271 1.00 0.00 C ATOM 1032 OG SER A 63 2.600 13.453 -13.080 1.00 0.00 O ATOM 0 H SER A 63 5.263 13.073 -11.249 1.00 0.00 H new ATOM 0 HA SER A 63 3.016 11.325 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.647 13.403 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.773 12.223 -14.241 1.00 0.00 H new ATOM 0 HG SER A 63 2.501 14.111 -13.799 1.00 0.00 H new ATOM 1038 N VAL A 64 6.105 10.638 -12.747 1.00 0.00 N ATOM 1039 CA VAL A 64 6.974 9.574 -13.235 1.00 0.00 C ATOM 1040 C VAL A 64 6.777 8.297 -12.427 1.00 0.00 C ATOM 1041 O VAL A 64 6.576 7.220 -12.989 1.00 0.00 O ATOM 1042 CB VAL A 64 8.457 9.988 -13.179 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.337 8.923 -13.817 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.661 11.334 -13.857 1.00 0.00 C ATOM 0 H VAL A 64 6.596 11.482 -12.452 1.00 0.00 H new ATOM 0 HA VAL A 64 6.701 9.389 -14.274 1.00 0.00 H new ATOM 0 HB VAL A 64 8.747 10.085 -12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.380 9.235 -13.767 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.214 7.981 -13.282 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.048 8.789 -14.859 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.714 11.610 -13.808 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.352 11.267 -14.900 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.063 12.091 -13.350 1.00 0.00 H new ATOM 1054 N LYS A 65 6.829 8.423 -11.103 1.00 0.00 N ATOM 1055 CA LYS A 65 6.649 7.278 -10.218 1.00 0.00 C ATOM 1056 C LYS A 65 5.367 6.522 -10.561 1.00 0.00 C ATOM 1057 O LYS A 65 5.284 5.307 -10.383 1.00 0.00 O ATOM 1058 CB LYS A 65 6.606 7.733 -8.757 1.00 0.00 C ATOM 1059 CG LYS A 65 6.472 6.586 -7.766 1.00 0.00 C ATOM 1060 CD LYS A 65 7.727 6.422 -6.920 1.00 0.00 C ATOM 1061 CE LYS A 65 8.288 5.011 -7.017 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.339 4.528 -8.425 1.00 0.00 N ATOM 0 H LYS A 65 6.994 9.307 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 65 7.497 6.608 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.514 8.292 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.769 8.418 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.616 6.765 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.274 5.660 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.482 7.137 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.498 6.652 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.290 4.989 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.673 4.334 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.014 3.740 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.395 4.203 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.644 5.303 -9.047 1.00 0.00 H new ATOM 1076 N VAL A 66 4.371 7.252 -11.057 1.00 0.00 N ATOM 1077 CA VAL A 66 3.096 6.651 -11.427 1.00 0.00 C ATOM 1078 C VAL A 66 3.289 5.563 -12.477 1.00 0.00 C ATOM 1079 O VAL A 66 2.724 4.475 -12.369 1.00 0.00 O ATOM 1080 CB VAL A 66 2.113 7.706 -11.968 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.735 7.096 -12.176 1.00 0.00 C ATOM 1082 CG2 VAL A 66 2.040 8.899 -11.029 1.00 0.00 C ATOM 0 H VAL A 66 4.424 8.259 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 66 2.678 6.210 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 66 2.479 8.055 -12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.054 7.857 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.804 6.277 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.358 6.716 -11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.341 9.634 -11.428 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.699 8.569 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.028 9.351 -10.937 1.00 0.00 H new ATOM 1092 N LYS A 67 4.092 5.862 -13.494 1.00 0.00 N ATOM 1093 CA LYS A 67 4.359 4.905 -14.560 1.00 0.00 C ATOM 1094 C LYS A 67 5.097 3.687 -14.015 1.00 0.00 C ATOM 1095 O LYS A 67 4.746 2.548 -14.320 1.00 0.00 O ATOM 1096 CB LYS A 67 5.181 5.561 -15.671 1.00 0.00 C ATOM 1097 CG LYS A 67 4.333 6.210 -16.753 1.00 0.00 C ATOM 1098 CD LYS A 67 3.579 7.418 -16.220 1.00 0.00 C ATOM 1099 CE LYS A 67 4.472 8.647 -16.156 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.740 9.839 -15.647 1.00 0.00 N ATOM 0 H LYS A 67 4.568 6.758 -13.601 1.00 0.00 H new ATOM 0 HA LYS A 67 3.405 4.578 -14.973 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.834 6.315 -15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.825 4.809 -16.128 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.971 6.515 -17.583 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.624 5.482 -17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.720 7.624 -16.859 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.191 7.197 -15.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.326 8.442 -15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.868 8.861 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.358 10.674 -15.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.892 10.000 -16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.458 9.677 -14.659 1.00 0.00 H new ATOM 1114 N SER A 68 6.117 3.938 -13.201 1.00 0.00 N ATOM 1115 CA SER A 68 6.901 2.862 -12.606 1.00 0.00 C ATOM 1116 C SER A 68 6.032 2.011 -11.686 1.00 0.00 C ATOM 1117 O SER A 68 6.273 0.815 -11.518 1.00 0.00 O ATOM 1118 CB SER A 68 8.085 3.437 -11.827 1.00 0.00 C ATOM 1119 OG SER A 68 8.587 2.499 -10.890 1.00 0.00 O ATOM 0 H SER A 68 6.420 4.876 -12.939 1.00 0.00 H new ATOM 0 HA SER A 68 7.281 2.229 -13.408 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.876 3.721 -12.521 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.776 4.344 -11.307 1.00 0.00 H new ATOM 0 HG SER A 68 9.344 2.892 -10.407 1.00 0.00 H new ATOM 1125 N LEU A 69 5.019 2.636 -11.094 1.00 0.00 N ATOM 1126 CA LEU A 69 4.111 1.939 -10.192 1.00 0.00 C ATOM 1127 C LEU A 69 3.300 0.889 -10.946 1.00 0.00 C ATOM 1128 O LEU A 69 3.116 -0.230 -10.468 1.00 0.00 O ATOM 1129 CB LEU A 69 3.174 2.939 -9.508 1.00 0.00 C ATOM 1130 CG LEU A 69 3.467 3.198 -8.028 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.949 3.472 -7.812 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.629 4.360 -7.517 1.00 0.00 C ATOM 0 H LEU A 69 4.807 3.625 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 69 4.705 1.433 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.226 3.887 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.150 2.576 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 69 3.200 2.304 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.135 3.653 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.530 2.610 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.245 4.349 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.849 4.531 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.866 5.258 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.571 4.124 -7.633 1.00 0.00 H new ATOM 1144 N SER A 70 2.818 1.258 -12.130 1.00 0.00 N ATOM 1145 CA SER A 70 2.029 0.348 -12.952 1.00 0.00 C ATOM 1146 C SER A 70 2.820 -0.915 -13.274 1.00 0.00 C ATOM 1147 O SER A 70 2.292 -2.024 -13.210 1.00 0.00 O ATOM 1148 CB SER A 70 1.597 1.039 -14.246 1.00 0.00 C ATOM 1149 OG SER A 70 0.669 2.078 -13.985 1.00 0.00 O ATOM 0 H SER A 70 2.961 2.181 -12.541 1.00 0.00 H new ATOM 0 HA SER A 70 1.140 0.065 -12.388 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.471 1.447 -14.753 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.150 0.309 -14.920 1.00 0.00 H new ATOM 0 HG SER A 70 0.410 2.505 -14.828 1.00 0.00 H new ATOM 1155 N ASP A 71 4.094 -0.738 -13.615 1.00 0.00 N ATOM 1156 CA ASP A 71 4.959 -1.868 -13.940 1.00 0.00 C ATOM 1157 C ASP A 71 5.540 -2.496 -12.675 1.00 0.00 C ATOM 1158 O ASP A 71 6.304 -3.458 -12.745 1.00 0.00 O ATOM 1159 CB ASP A 71 6.088 -1.425 -14.871 1.00 0.00 C ATOM 1160 CG ASP A 71 6.493 -2.512 -15.846 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.264 -3.701 -15.538 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.042 -2.175 -16.916 1.00 0.00 O ATOM 0 H ASP A 71 4.548 0.173 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 71 4.354 -2.619 -14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.772 -0.542 -15.426 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.953 -1.134 -14.275 1.00 0.00 H new ATOM 1167 N MET A 72 5.159 -1.959 -11.519 1.00 0.00 N ATOM 1168 CA MET A 72 5.625 -2.479 -10.242 1.00 0.00 C ATOM 1169 C MET A 72 4.499 -3.247 -9.567 1.00 0.00 C ATOM 1170 O MET A 72 4.731 -4.201 -8.826 1.00 0.00 O ATOM 1171 CB MET A 72 6.104 -1.340 -9.339 1.00 0.00 C ATOM 1172 CG MET A 72 6.599 -1.808 -7.980 1.00 0.00 C ATOM 1173 SD MET A 72 6.856 -0.445 -6.829 1.00 0.00 S ATOM 1174 CE MET A 72 5.164 -0.035 -6.406 1.00 0.00 C ATOM 0 H MET A 72 4.527 -1.162 -11.443 1.00 0.00 H new ATOM 0 HA MET A 72 6.466 -3.150 -10.418 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.906 -0.801 -9.843 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.287 -0.633 -9.195 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.878 -2.506 -7.555 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.534 -2.353 -8.106 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.152 0.567 -5.497 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.712 0.530 -7.221 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.598 -0.952 -6.242 1.00 0.00 H new ATOM 1184 N THR A 73 3.272 -2.822 -9.851 1.00 0.00 N ATOM 1185 CA THR A 73 2.091 -3.460 -9.302 1.00 0.00 C ATOM 1186 C THR A 73 1.834 -4.783 -10.022 1.00 0.00 C ATOM 1187 O THR A 73 1.303 -5.727 -9.437 1.00 0.00 O ATOM 1188 CB THR A 73 0.890 -2.506 -9.429 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.827 -1.633 -8.318 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.459 -3.178 -9.545 1.00 0.00 C ATOM 0 H THR A 73 3.074 -2.031 -10.464 1.00 0.00 H new ATOM 0 HA THR A 73 2.243 -3.680 -8.245 1.00 0.00 H new ATOM 0 HB THR A 73 1.075 -1.977 -10.364 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.058 -1.033 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.237 -2.420 -9.629 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.474 -3.813 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.640 -3.786 -8.659 1.00 0.00 H new ATOM 1198 N ALA A 74 2.221 -4.845 -11.295 1.00 0.00 N ATOM 1199 CA ALA A 74 2.037 -6.053 -12.088 1.00 0.00 C ATOM 1200 C ALA A 74 3.246 -6.981 -11.979 1.00 0.00 C ATOM 1201 O ALA A 74 3.303 -8.017 -12.642 1.00 0.00 O ATOM 1202 CB ALA A 74 1.776 -5.693 -13.543 1.00 0.00 C ATOM 0 H ALA A 74 2.662 -4.074 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 74 1.172 -6.585 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.640 -6.605 -14.125 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.876 -5.082 -13.611 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.625 -5.134 -13.937 1.00 0.00 H new ATOM 1208 N LYS A 75 4.215 -6.605 -11.144 1.00 0.00 N ATOM 1209 CA LYS A 75 5.417 -7.409 -10.960 1.00 0.00 C ATOM 1210 C LYS A 75 5.521 -7.921 -9.526 1.00 0.00 C ATOM 1211 O LYS A 75 5.975 -9.041 -9.288 1.00 0.00 O ATOM 1212 CB LYS A 75 6.661 -6.591 -11.311 1.00 0.00 C ATOM 1213 CG LYS A 75 7.810 -7.430 -11.846 1.00 0.00 C ATOM 1214 CD LYS A 75 8.646 -6.652 -12.850 1.00 0.00 C ATOM 1215 CE LYS A 75 9.653 -5.750 -12.154 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.508 -5.016 -13.128 1.00 0.00 N ATOM 0 H LYS A 75 4.189 -5.751 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 75 5.352 -8.268 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.394 -5.840 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.996 -6.055 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.441 -7.754 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.416 -8.330 -12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.170 -7.347 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.992 -6.050 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.125 -5.035 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.283 -6.349 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.181 -4.412 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.032 -5.698 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.909 -4.424 -13.739 1.00 0.00 H new ATOM 1230 N GLU A 76 5.099 -7.096 -8.571 1.00 0.00 N ATOM 1231 CA GLU A 76 5.148 -7.470 -7.163 1.00 0.00 C ATOM 1232 C GLU A 76 4.001 -8.408 -6.808 1.00 0.00 C ATOM 1233 O GLU A 76 4.215 -9.490 -6.261 1.00 0.00 O ATOM 1234 CB GLU A 76 5.095 -6.221 -6.281 1.00 0.00 C ATOM 1235 CG GLU A 76 6.465 -5.682 -5.905 1.00 0.00 C ATOM 1236 CD GLU A 76 7.344 -5.433 -7.115 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.024 -4.519 -7.904 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.355 -6.151 -7.274 1.00 0.00 O ATOM 0 H GLU A 76 4.720 -6.166 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 76 6.087 -7.993 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.538 -5.442 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.543 -6.453 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.346 -4.752 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.960 -6.390 -5.240 1.00 0.00 H new ATOM 1245 N LYS A 77 2.784 -7.979 -7.121 1.00 0.00 N ATOM 1246 CA LYS A 77 1.584 -8.764 -6.841 1.00 0.00 C ATOM 1247 C LYS A 77 0.339 -7.901 -7.016 1.00 0.00 C ATOM 1248 O LYS A 77 -0.726 -8.395 -7.387 1.00 0.00 O ATOM 1249 CB LYS A 77 1.629 -9.336 -5.420 1.00 0.00 C ATOM 1250 CG LYS A 77 1.989 -10.813 -5.370 1.00 0.00 C ATOM 1251 CD LYS A 77 2.806 -11.145 -4.133 1.00 0.00 C ATOM 1252 CE LYS A 77 2.511 -12.550 -3.632 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.415 -13.560 -4.246 1.00 0.00 N ATOM 0 H LYS A 77 2.600 -7.083 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 77 1.545 -9.594 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.355 -8.773 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.657 -9.191 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.078 -11.411 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.553 -11.082 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.868 -11.054 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.587 -10.423 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.618 -12.579 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.475 -12.805 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.181 -14.504 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.295 -13.551 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.402 -13.331 -4.010 1.00 0.00 H new ATOM 1267 N PHE A 78 0.490 -6.606 -6.747 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.603 -5.650 -6.873 1.00 0.00 C ATOM 1269 C PHE A 78 -1.324 -5.785 -8.193 1.00 0.00 C ATOM 1270 O PHE A 78 -0.978 -6.622 -9.024 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.071 -4.232 -6.758 1.00 0.00 C ATOM 1272 CG PHE A 78 0.878 -4.035 -5.631 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.819 -4.833 -4.503 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.854 -3.066 -5.721 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.727 -4.660 -3.480 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.759 -2.882 -4.702 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.700 -3.682 -3.577 1.00 0.00 C ATOM 0 H PHE A 78 1.370 -6.193 -6.437 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.307 -5.863 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.426 -3.964 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.911 -3.548 -6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.058 -5.595 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.909 -2.444 -6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.678 -5.288 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.514 -2.114 -4.781 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.411 -3.544 -2.776 1.00 0.00 H new ATOM 1287 N SER A 79 -2.312 -4.914 -8.374 1.00 0.00 N ATOM 1288 CA SER A 79 -3.110 -4.857 -9.595 1.00 0.00 C ATOM 1289 C SER A 79 -4.599 -4.773 -9.289 1.00 0.00 C ATOM 1290 O SER A 79 -5.329 -4.043 -9.958 1.00 0.00 O ATOM 1291 CB SER A 79 -2.853 -6.056 -10.517 1.00 0.00 C ATOM 1292 OG SER A 79 -3.788 -6.091 -11.581 1.00 0.00 O ATOM 0 H SER A 79 -2.583 -4.224 -7.674 1.00 0.00 H new ATOM 0 HA SER A 79 -2.797 -3.950 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.842 -5.999 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.916 -6.980 -9.943 1.00 0.00 H new ATOM 0 HG SER A 79 -3.602 -6.863 -12.155 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.097 -5.556 -8.319 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.505 -5.582 -7.999 1.00 0.00 C ATOM 1300 C PRO A 80 -6.908 -4.747 -6.790 1.00 0.00 C ATOM 1301 O PRO A 80 -7.531 -3.696 -6.948 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.738 -7.068 -7.736 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.413 -7.599 -7.251 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.368 -6.531 -7.509 1.00 0.00 C ATOM 0 HA PRO A 80 -7.104 -5.145 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.519 -7.218 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.060 -7.582 -8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.462 -7.838 -6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.156 -8.520 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.000 -6.092 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.503 -6.931 -8.038 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.571 -5.198 -5.586 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.938 -4.445 -4.397 1.00 0.00 C ATOM 1314 C LEU A 81 -5.784 -3.568 -3.969 1.00 0.00 C ATOM 1315 O LEU A 81 -5.846 -2.874 -2.955 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.357 -5.378 -3.268 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.829 -5.795 -3.297 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.731 -4.570 -3.247 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.121 -6.620 -4.542 1.00 0.00 C ATOM 0 H LEU A 81 -6.056 -6.061 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.792 -3.811 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.738 -6.275 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.150 -4.890 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.032 -6.408 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.774 -4.885 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.539 -4.014 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.527 -3.932 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.172 -6.909 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.902 -6.028 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.498 -7.515 -4.540 1.00 0.00 H new ATOM 1331 N THR A 82 -4.734 -3.600 -4.772 1.00 0.00 N ATOM 1332 CA THR A 82 -3.557 -2.813 -4.519 1.00 0.00 C ATOM 1333 C THR A 82 -3.312 -1.845 -5.667 1.00 0.00 C ATOM 1334 O THR A 82 -2.402 -1.024 -5.607 1.00 0.00 O ATOM 1335 CB THR A 82 -2.356 -3.722 -4.316 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.756 -5.081 -4.269 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.609 -3.413 -3.036 1.00 0.00 C ATOM 0 H THR A 82 -4.681 -4.174 -5.614 1.00 0.00 H new ATOM 0 HA THR A 82 -3.709 -2.232 -3.609 1.00 0.00 H new ATOM 0 HB THR A 82 -1.696 -3.544 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.354 -5.220 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.760 -4.090 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.251 -2.384 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.277 -3.543 -2.185 1.00 0.00 H new ATOM 1345 N SER A 83 -4.144 -1.922 -6.712 1.00 0.00 N ATOM 1346 CA SER A 83 -3.998 -1.020 -7.841 1.00 0.00 C ATOM 1347 C SER A 83 -4.823 0.240 -7.620 1.00 0.00 C ATOM 1348 O SER A 83 -5.295 0.876 -8.563 1.00 0.00 O ATOM 1349 CB SER A 83 -4.417 -1.693 -9.144 1.00 0.00 C ATOM 1350 OG SER A 83 -4.432 -0.766 -10.215 1.00 0.00 O ATOM 0 H SER A 83 -4.910 -2.590 -6.792 1.00 0.00 H new ATOM 0 HA SER A 83 -2.945 -0.751 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.730 -2.507 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.407 -2.134 -9.027 1.00 0.00 H new ATOM 0 HG SER A 83 -4.890 0.053 -9.932 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.972 0.591 -6.356 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.710 1.770 -5.938 1.00 0.00 C ATOM 1358 C ASN A 84 -4.983 2.350 -4.748 1.00 0.00 C ATOM 1359 O ASN A 84 -4.693 3.544 -4.690 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.151 1.412 -5.568 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.949 2.620 -5.118 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.487 3.412 -4.295 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.154 2.768 -5.655 1.00 0.00 N ATOM 0 H ASN A 84 -4.579 0.058 -5.580 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.762 2.495 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.641 0.956 -6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.145 0.667 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.737 3.562 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.497 2.088 -6.333 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.633 1.460 -3.827 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.870 1.838 -2.663 1.00 0.00 C ATOM 1372 C LEU A 85 -2.471 2.242 -3.113 1.00 0.00 C ATOM 1373 O LEU A 85 -1.756 2.944 -2.398 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.786 0.672 -1.672 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.357 1.056 -0.253 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.569 1.187 0.656 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.379 0.031 0.305 1.00 0.00 C ATOM 0 H LEU A 85 -4.871 0.469 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.359 2.673 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.761 0.187 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.083 -0.065 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.855 2.023 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.243 1.460 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.234 1.959 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.100 0.236 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.085 0.320 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.855 -0.949 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.495 -0.013 -0.332 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.086 1.794 -4.318 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.779 2.119 -4.856 1.00 0.00 C ATOM 1391 C ILE A 86 -0.695 3.601 -5.211 1.00 0.00 C ATOM 1392 O ILE A 86 0.219 4.303 -4.779 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.436 1.244 -6.090 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.628 0.210 -5.718 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.038 2.086 -7.271 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.125 -0.862 -4.780 1.00 0.00 C ATOM 0 H ILE A 86 -2.663 1.212 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.043 1.904 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.348 0.733 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.000 -0.260 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.473 0.720 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.268 1.434 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.747 2.786 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.933 2.640 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.932 -1.560 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.221 -0.402 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.700 -1.398 -5.249 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.659 4.069 -5.996 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.697 5.467 -6.403 1.00 0.00 C ATOM 1410 C ASN A 87 -1.868 6.370 -5.189 1.00 0.00 C ATOM 1411 O ASN A 87 -1.209 7.404 -5.073 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.837 5.702 -7.395 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.428 5.413 -8.826 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.360 4.854 -9.078 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.276 5.795 -9.773 1.00 0.00 N ATOM 0 H ASN A 87 -2.423 3.501 -6.362 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.752 5.709 -6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.684 5.070 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.174 6.736 -7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.053 5.628 -10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.150 6.255 -9.519 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.754 5.968 -4.283 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.012 6.738 -3.072 1.00 0.00 C ATOM 1424 C LEU A 88 -1.757 6.830 -2.211 1.00 0.00 C ATOM 1425 O LEU A 88 -1.517 7.844 -1.558 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.153 6.103 -2.273 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.175 7.092 -1.708 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.572 6.491 -1.737 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.795 7.496 -0.292 1.00 0.00 C ATOM 0 H LEU A 88 -3.305 5.114 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.303 7.747 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.674 5.392 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.726 5.534 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.174 7.985 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.285 7.209 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.844 6.251 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.590 5.582 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.532 8.200 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.768 6.611 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.812 7.967 -0.299 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.957 5.768 -2.217 1.00 0.00 N ATOM 1442 CA LEU A 89 0.272 5.745 -1.435 1.00 0.00 C ATOM 1443 C LEU A 89 1.343 6.612 -2.090 1.00 0.00 C ATOM 1444 O LEU A 89 2.226 7.139 -1.415 1.00 0.00 O ATOM 1445 CB LEU A 89 0.775 4.309 -1.276 1.00 0.00 C ATOM 1446 CG LEU A 89 0.479 3.674 0.082 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.650 2.165 0.018 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.380 4.271 1.152 1.00 0.00 C ATOM 0 H LEU A 89 -1.137 4.918 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 89 0.057 6.152 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.326 3.693 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.852 4.296 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.557 3.887 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.435 1.733 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.037 1.752 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.675 1.927 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.158 3.809 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.423 4.087 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.206 5.345 1.216 1.00 0.00 H new ATOM 1460 N ALA A 90 1.252 6.758 -3.408 1.00 0.00 N ATOM 1461 CA ALA A 90 2.209 7.566 -4.153 1.00 0.00 C ATOM 1462 C ALA A 90 1.575 8.867 -4.640 1.00 0.00 C ATOM 1463 O ALA A 90 2.096 9.517 -5.547 1.00 0.00 O ATOM 1464 CB ALA A 90 2.761 6.774 -5.329 1.00 0.00 C ATOM 0 H ALA A 90 0.526 6.328 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 90 3.028 7.824 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.475 7.388 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.261 5.878 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.944 6.488 -5.991 1.00 0.00 H new ATOM 1470 N GLU A 91 0.453 9.247 -4.033 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.239 10.473 -4.410 1.00 0.00 C ATOM 1472 C GLU A 91 0.033 11.582 -3.399 1.00 0.00 C ATOM 1473 O GLU A 91 0.667 12.587 -3.719 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.746 10.224 -4.520 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.547 11.466 -4.878 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.771 11.645 -4.001 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.666 11.409 -2.779 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.835 12.023 -4.536 1.00 0.00 O ATOM 0 H GLU A 91 0.006 8.724 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 91 0.140 10.789 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.924 9.458 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.110 9.829 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.908 12.344 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.858 11.405 -5.921 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.450 11.391 -2.176 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.259 12.375 -1.117 1.00 0.00 C ATOM 1487 C ASN A 92 1.151 12.287 -0.541 1.00 0.00 C ATOM 1488 O ASN A 92 1.698 13.280 -0.061 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.289 12.167 -0.006 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.167 10.806 0.649 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -0.461 10.643 1.643 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -1.859 9.817 0.092 1.00 0.00 N ATOM 0 H ASN A 92 -0.976 10.564 -1.894 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.396 13.367 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.166 12.943 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.292 12.280 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.817 8.878 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.432 9.997 -0.732 1.00 0.00 H new ATOM 1499 N GLY A 93 1.734 11.094 -0.593 1.00 0.00 N ATOM 1500 CA GLY A 93 3.075 10.899 -0.073 1.00 0.00 C ATOM 1501 C GLY A 93 3.093 10.024 1.164 1.00 0.00 C ATOM 1502 O GLY A 93 3.689 10.385 2.179 1.00 0.00 O ATOM 0 H GLY A 93 1.302 10.258 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.699 10.446 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.514 11.868 0.164 1.00 0.00 H new ATOM 1506 N ARG A 94 2.439 8.870 1.080 1.00 0.00 N ATOM 1507 CA ARG A 94 2.382 7.940 2.201 1.00 0.00 C ATOM 1508 C ARG A 94 3.425 6.837 2.052 1.00 0.00 C ATOM 1509 O ARG A 94 3.243 5.726 2.550 1.00 0.00 O ATOM 1510 CB ARG A 94 0.985 7.325 2.309 1.00 0.00 C ATOM 1511 CG ARG A 94 0.031 8.134 3.173 1.00 0.00 C ATOM 1512 CD ARG A 94 0.040 7.652 4.615 1.00 0.00 C ATOM 1513 NE ARG A 94 1.188 8.170 5.357 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.267 9.412 5.829 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.268 10.266 5.639 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.347 9.801 6.493 1.00 0.00 N ATOM 0 H ARG A 94 1.941 8.557 0.247 1.00 0.00 H new ATOM 0 HA ARG A 94 2.600 8.497 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.562 7.226 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.070 6.319 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.311 9.187 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.979 8.059 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.881 7.964 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.058 6.562 4.633 1.00 0.00 H new ATOM 0 HE ARG A 94 1.975 7.543 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.565 9.971 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.334 11.217 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.117 9.149 6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.408 10.753 6.855 1.00 0.00 H new ATOM 1530 N LEU A 95 4.519 7.150 1.365 1.00 0.00 N ATOM 1531 CA LEU A 95 5.591 6.183 1.154 1.00 0.00 C ATOM 1532 C LEU A 95 6.748 6.437 2.114 1.00 0.00 C ATOM 1533 O LEU A 95 7.904 6.149 1.801 1.00 0.00 O ATOM 1534 CB LEU A 95 6.085 6.241 -0.292 1.00 0.00 C ATOM 1535 CG LEU A 95 5.150 5.602 -1.321 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.679 5.818 -2.730 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.980 4.117 -1.034 1.00 0.00 C ATOM 0 H LEU A 95 4.687 8.064 0.945 1.00 0.00 H new ATOM 0 HA LEU A 95 5.193 5.188 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.242 7.285 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.055 5.747 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 95 4.174 6.081 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.001 5.357 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.749 6.887 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.667 5.366 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.312 3.677 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.951 3.624 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.555 3.985 -0.039 1.00 0.00 H new ATOM 1549 N THR A 96 6.427 6.975 3.285 1.00 0.00 N ATOM 1550 CA THR A 96 7.435 7.265 4.299 1.00 0.00 C ATOM 1551 C THR A 96 7.226 6.379 5.521 1.00 0.00 C ATOM 1552 O THR A 96 8.182 5.894 6.124 1.00 0.00 O ATOM 1553 CB THR A 96 7.375 8.739 4.704 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.280 8.976 5.572 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.240 9.678 3.526 1.00 0.00 C ATOM 0 H THR A 96 5.475 7.220 3.556 1.00 0.00 H new ATOM 0 HA THR A 96 8.419 7.057 3.878 1.00 0.00 H new ATOM 0 HB THR A 96 8.324 8.941 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.519 8.704 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.203 10.707 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.096 9.555 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.323 9.450 2.982 1.00 0.00 H new ATOM 1563 N ASN A 97 5.962 6.167 5.873 1.00 0.00 N ATOM 1564 CA ASN A 97 5.612 5.333 7.016 1.00 0.00 C ATOM 1565 C ASN A 97 4.674 4.208 6.590 1.00 0.00 C ATOM 1566 O ASN A 97 3.887 3.704 7.392 1.00 0.00 O ATOM 1567 CB ASN A 97 4.953 6.177 8.108 1.00 0.00 C ATOM 1568 CG ASN A 97 5.915 7.170 8.731 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.927 8.390 8.207 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.639 6.844 9.672 1.00 0.00 N flip ATOM 0 H ASN A 97 5.161 6.563 5.381 1.00 0.00 H new ATOM 0 HA ASN A 97 6.527 4.894 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.104 6.714 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.560 5.520 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.597 5.895 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.281 7.523 10.080 1.00 0.00 H new ATOM 1577 N THR A 98 4.761 3.819 5.316 1.00 0.00 N ATOM 1578 CA THR A 98 3.918 2.756 4.777 1.00 0.00 C ATOM 1579 C THR A 98 3.855 1.539 5.709 1.00 0.00 C ATOM 1580 O THR A 98 2.769 1.031 5.985 1.00 0.00 O ATOM 1581 CB THR A 98 4.385 2.332 3.373 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.940 1.020 3.072 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.888 2.355 3.175 1.00 0.00 C ATOM 0 H THR A 98 5.408 4.226 4.640 1.00 0.00 H new ATOM 0 HA THR A 98 2.910 3.165 4.700 1.00 0.00 H new ATOM 0 HB THR A 98 3.947 3.075 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.579 0.589 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.126 2.042 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.261 3.366 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.359 1.674 3.884 1.00 0.00 H new ATOM 1591 N PRO A 99 5.002 1.046 6.217 1.00 0.00 N ATOM 1592 CA PRO A 99 5.016 -0.112 7.116 1.00 0.00 C ATOM 1593 C PRO A 99 4.055 0.056 8.288 1.00 0.00 C ATOM 1594 O PRO A 99 3.606 -0.926 8.881 1.00 0.00 O ATOM 1595 CB PRO A 99 6.469 -0.184 7.615 1.00 0.00 C ATOM 1596 CG PRO A 99 7.097 1.106 7.202 1.00 0.00 C ATOM 1597 CD PRO A 99 6.359 1.553 5.975 1.00 0.00 C ATOM 0 HA PRO A 99 4.692 -1.019 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.507 -0.310 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.993 -1.034 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.020 1.849 7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.158 0.973 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.373 2.637 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.792 1.135 5.066 1.00 0.00 H new ATOM 1605 N ALA A 100 3.738 1.305 8.617 1.00 0.00 N ATOM 1606 CA ALA A 100 2.827 1.596 9.714 1.00 0.00 C ATOM 1607 C ALA A 100 1.379 1.362 9.300 1.00 0.00 C ATOM 1608 O ALA A 100 0.560 0.909 10.100 1.00 0.00 O ATOM 1609 CB ALA A 100 3.018 3.027 10.195 1.00 0.00 C ATOM 0 H ALA A 100 4.100 2.130 8.138 1.00 0.00 H new ATOM 0 HA ALA A 100 3.057 0.917 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.330 3.230 11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.043 3.161 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.818 3.716 9.375 1.00 0.00 H new ATOM 1615 N VAL A 101 1.067 1.671 8.044 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.285 1.487 7.532 1.00 0.00 C ATOM 1617 C VAL A 101 -0.597 0.007 7.319 1.00 0.00 C ATOM 1618 O VAL A 101 -1.760 -0.396 7.306 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.505 2.258 6.209 1.00 0.00 C ATOM 1620 CG1 VAL A 101 0.308 1.653 5.072 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -1.985 2.295 5.854 1.00 0.00 C ATOM 0 H VAL A 101 1.729 2.048 7.366 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.964 1.889 8.284 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.157 3.281 6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.131 2.218 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.368 1.691 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.008 0.616 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.122 2.841 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.357 1.277 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.538 2.793 6.650 1.00 0.00 H new ATOM 1631 N ILE A 102 0.450 -0.799 7.155 1.00 0.00 N ATOM 1632 CA ILE A 102 0.285 -2.232 6.948 1.00 0.00 C ATOM 1633 C ILE A 102 -0.085 -2.934 8.248 1.00 0.00 C ATOM 1634 O ILE A 102 -0.866 -3.885 8.251 1.00 0.00 O ATOM 1635 CB ILE A 102 1.566 -2.871 6.377 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.066 -2.076 5.170 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.309 -4.320 5.994 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.525 -2.318 4.851 1.00 0.00 C ATOM 0 H ILE A 102 1.420 -0.483 7.162 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.523 -2.356 6.228 1.00 0.00 H new ATOM 0 HB ILE A 102 2.338 -2.850 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.464 -2.335 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.915 -1.013 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.223 -4.758 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.996 -4.879 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.524 -4.363 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.812 -1.722 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.137 -2.032 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.679 -3.375 4.632 1.00 0.00 H new ATOM 1650 N SER A 103 0.478 -2.458 9.355 1.00 0.00 N ATOM 1651 CA SER A 103 0.200 -3.042 10.661 1.00 0.00 C ATOM 1652 C SER A 103 -1.288 -2.967 10.978 1.00 0.00 C ATOM 1653 O SER A 103 -1.853 -3.879 11.580 1.00 0.00 O ATOM 1654 CB SER A 103 1.006 -2.328 11.747 1.00 0.00 C ATOM 1655 OG SER A 103 2.241 -2.983 11.980 1.00 0.00 O ATOM 0 H SER A 103 1.127 -1.672 9.373 1.00 0.00 H new ATOM 0 HA SER A 103 0.496 -4.091 10.636 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.189 -1.296 11.449 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.428 -2.295 12.671 1.00 0.00 H new ATOM 0 HG SER A 103 2.738 -2.506 12.677 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.920 -1.875 10.560 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.345 -1.685 10.792 1.00 0.00 C ATOM 1663 C ALA A 104 -4.155 -2.733 10.038 1.00 0.00 C ATOM 1664 O ALA A 104 -5.195 -3.188 10.510 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.767 -0.284 10.373 1.00 0.00 C ATOM 0 H ALA A 104 -1.468 -1.110 10.060 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.540 -1.802 11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.835 -0.157 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.211 0.452 10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.558 -0.143 9.313 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.664 -3.115 8.863 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.333 -4.115 8.040 1.00 0.00 C ATOM 1673 C PHE A 105 -4.456 -5.435 8.789 1.00 0.00 C ATOM 1674 O PHE A 105 -5.385 -6.209 8.553 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.557 -4.335 6.740 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.430 -4.660 5.559 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.827 -5.966 5.303 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.844 -3.660 4.697 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.620 -6.260 4.215 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.635 -3.951 3.606 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.024 -5.252 3.365 1.00 0.00 C ATOM 0 H PHE A 105 -2.803 -2.746 8.459 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.333 -3.748 7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.979 -3.438 6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.844 -5.146 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.511 -6.760 5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.544 -2.639 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.925 -7.279 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.950 -3.161 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.645 -5.481 2.511 1.00 0.00 H new ATOM 1691 N SER A 106 -3.507 -5.695 9.684 1.00 0.00 N ATOM 1692 CA SER A 106 -3.509 -6.931 10.454 1.00 0.00 C ATOM 1693 C SER A 106 -4.449 -6.847 11.652 1.00 0.00 C ATOM 1694 O SER A 106 -4.949 -7.867 12.126 1.00 0.00 O ATOM 1695 CB SER A 106 -2.093 -7.275 10.921 1.00 0.00 C ATOM 1696 OG SER A 106 -2.062 -8.529 11.578 1.00 0.00 O ATOM 0 H SER A 106 -2.730 -5.068 9.892 1.00 0.00 H new ATOM 0 HA SER A 106 -3.871 -7.723 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.419 -7.293 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.731 -6.499 11.595 1.00 0.00 H new ATOM 0 HG SER A 106 -1.146 -8.725 11.865 1.00 0.00 H new ATOM 1702 N THR A 107 -4.702 -5.637 12.130 1.00 0.00 N ATOM 1703 CA THR A 107 -5.601 -5.451 13.260 1.00 0.00 C ATOM 1704 C THR A 107 -7.007 -5.139 12.771 1.00 0.00 C ATOM 1705 O THR A 107 -7.990 -5.442 13.446 1.00 0.00 O ATOM 1706 CB THR A 107 -5.094 -4.339 14.180 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.792 -4.634 14.652 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.978 -4.109 15.386 1.00 0.00 C ATOM 0 H THR A 107 -4.302 -4.776 11.757 1.00 0.00 H new ATOM 0 HA THR A 107 -5.629 -6.378 13.832 1.00 0.00 H new ATOM 0 HB THR A 107 -5.098 -3.436 13.570 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.484 -3.911 15.237 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.561 -3.308 15.996 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.979 -3.830 15.056 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.033 -5.023 15.977 1.00 0.00 H new ATOM 1716 N MET A 108 -7.098 -4.552 11.585 1.00 0.00 N ATOM 1717 CA MET A 108 -8.385 -4.230 11.003 1.00 0.00 C ATOM 1718 C MET A 108 -8.959 -5.453 10.304 1.00 0.00 C ATOM 1719 O MET A 108 -10.173 -5.574 10.148 1.00 0.00 O ATOM 1720 CB MET A 108 -8.254 -3.071 10.020 1.00 0.00 C ATOM 1721 CG MET A 108 -7.851 -1.761 10.680 1.00 0.00 C ATOM 1722 SD MET A 108 -9.016 -1.237 11.953 1.00 0.00 S ATOM 1723 CE MET A 108 -8.438 0.428 12.276 1.00 0.00 C ATOM 0 H MET A 108 -6.296 -4.291 11.012 1.00 0.00 H new ATOM 0 HA MET A 108 -9.063 -3.927 11.801 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.515 -3.329 9.262 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.204 -2.932 9.505 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.861 -1.871 11.122 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.776 -0.984 9.920 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.060 0.886 13.045 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.404 0.394 12.619 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.498 1.018 11.361 1.00 0.00 H new ATOM 1733 N MET A 109 -8.081 -6.372 9.898 1.00 0.00 N ATOM 1734 CA MET A 109 -8.528 -7.585 9.237 1.00 0.00 C ATOM 1735 C MET A 109 -9.359 -8.417 10.201 1.00 0.00 C ATOM 1736 O MET A 109 -10.335 -9.056 9.805 1.00 0.00 O ATOM 1737 CB MET A 109 -7.337 -8.406 8.741 1.00 0.00 C ATOM 1738 CG MET A 109 -6.320 -8.709 9.821 1.00 0.00 C ATOM 1739 SD MET A 109 -5.156 -10.001 9.340 1.00 0.00 S ATOM 1740 CE MET A 109 -5.339 -11.146 10.704 1.00 0.00 C ATOM 0 H MET A 109 -7.071 -6.296 10.016 1.00 0.00 H new ATOM 0 HA MET A 109 -9.136 -7.305 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.702 -9.344 8.323 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.846 -7.866 7.932 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.769 -7.800 10.060 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.840 -9.014 10.729 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.681 -12.002 10.552 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.075 -10.647 11.636 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.373 -11.488 10.756 1.00 0.00 H new ATOM 1750 N SER A 110 -8.972 -8.397 11.478 1.00 0.00 N ATOM 1751 CA SER A 110 -9.696 -9.145 12.500 1.00 0.00 C ATOM 1752 C SER A 110 -11.167 -8.738 12.522 1.00 0.00 C ATOM 1753 O SER A 110 -12.024 -9.493 12.980 1.00 0.00 O ATOM 1754 CB SER A 110 -9.067 -8.911 13.875 1.00 0.00 C ATOM 1755 OG SER A 110 -7.978 -9.791 14.095 1.00 0.00 O ATOM 0 H SER A 110 -8.167 -7.874 11.824 1.00 0.00 H new ATOM 0 HA SER A 110 -9.632 -10.206 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.725 -7.879 13.951 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.818 -9.056 14.651 1.00 0.00 H new ATOM 0 HG SER A 110 -7.593 -9.620 14.980 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.449 -7.538 12.021 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.810 -7.025 11.978 1.00 0.00 C ATOM 1763 C VAL A 111 -13.603 -7.659 10.834 1.00 0.00 C ATOM 1764 O VAL A 111 -14.762 -8.033 11.007 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.818 -5.487 11.827 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.234 -4.963 11.626 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.173 -4.834 13.040 1.00 0.00 C ATOM 0 H VAL A 111 -10.748 -6.903 11.639 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.286 -7.289 12.922 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.237 -5.229 10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.209 -3.878 11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.661 -5.404 10.725 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.847 -5.232 12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.186 -3.751 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.728 -5.106 13.938 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.142 -5.177 13.133 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.972 -7.783 9.668 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.630 -8.378 8.508 1.00 0.00 C ATOM 1779 C HIS A 112 -13.729 -9.894 8.664 1.00 0.00 C ATOM 1780 O HIS A 112 -14.666 -10.519 8.170 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.883 -8.018 7.217 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.650 -8.834 6.970 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.490 -10.154 6.722 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.387 -8.295 6.974 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -10.146 -10.386 6.591 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.501 -9.249 6.746 1.00 0.00 N flip ATOM 0 H HIS A 112 -12.012 -7.481 9.502 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.640 -7.972 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.561 -8.141 6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.606 -6.964 7.253 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -12.233 -10.849 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.154 -7.253 7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.690 -11.345 6.393 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.753 -10.474 9.356 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.728 -11.914 9.580 1.00 0.00 C ATOM 1797 C ARG A 113 -13.675 -12.304 10.711 1.00 0.00 C ATOM 1798 O ARG A 113 -14.220 -13.408 10.724 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.307 -12.375 9.909 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.053 -13.840 9.590 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.568 -14.160 9.590 1.00 0.00 C ATOM 1802 NE ARG A 113 -9.319 -15.598 9.506 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.109 -16.146 9.596 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.038 -15.384 9.771 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -7.971 -17.463 9.510 1.00 0.00 N ATOM 0 H ARG A 113 -11.970 -9.969 9.771 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.060 -12.405 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.597 -11.762 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.114 -12.204 10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.561 -14.467 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.478 -14.080 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.089 -13.659 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.112 -13.765 10.498 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.118 -16.217 9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.138 -14.371 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.114 -15.811 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.791 -18.054 9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.045 -17.884 9.579 1.00 0.00 H new