USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 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 65 LYS NZ :NH3+ -118:sc= -0.0609 (180deg=-1.42!) USER MOD Set 1.2: A 68 SER OG : rot -49:sc= 0.0466 USER MOD Set 2.1: A 23 TYR OH : rot -130:sc= -3.9! USER MOD Set 2.2: A 27 SER OG : rot 106:sc= 0.409 USER MOD Set 2.3: A 112 HIS : no HD1:sc= -9.68! C(o=-13!,f=-17!) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= -3.01 USER MOD Set 3.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 TYR OH : rot 0:sc= -1.42 USER MOD Set 4.2: A 92 ASN :FLIP amide:sc= -1.42 F(o=-3.5,f=-2.8) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= -2.16! USER MOD Set 5.2: A 97 ASN : amide:sc= -3.96 K(o=-6.1,f=-7.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.83) USER MOD Single : A 30 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.02 X(o=-3,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -1.12 (180deg=-1.59) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -138:sc= -6.85! (180deg=-9.38!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 175:sc= -8.05! (180deg=-8.36!) USER MOD Single : A 73 THR OG1 : rot 55:sc= -5.41! 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 -90:sc= -1.76! USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.38 USER MOD Single : A 83 SER OG : rot -172:sc= -2.32! USER MOD Single : A 84 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.6) USER MOD Single : A 87 ASN : amide:sc= -3.28 K(o=-3.3,f=-4.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 98 THR OG1 : rot 115:sc= -4.01! 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 -104:sc= -0.609 (180deg=-2.72!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.021 5.217 14.214 1.00 0.00 N ATOM 194 CA TYR A 12 -2.265 6.661 14.150 1.00 0.00 C ATOM 195 C TYR A 12 -3.733 7.014 13.875 1.00 0.00 C ATOM 196 O TYR A 12 -4.046 8.160 13.554 1.00 0.00 O ATOM 197 CB TYR A 12 -1.352 7.268 13.069 1.00 0.00 C ATOM 198 CG TYR A 12 -0.158 6.383 12.754 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.307 5.244 11.973 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.101 6.659 13.271 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.750 4.405 11.715 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.172 5.819 13.019 1.00 0.00 C ATOM 203 CZ TYR A 12 1.990 4.692 12.243 1.00 0.00 C ATOM 204 OH TYR A 12 3.053 3.855 11.991 1.00 0.00 O ATOM 0 HA TYR A 12 -2.035 7.083 15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.930 7.431 12.159 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.999 8.244 13.402 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.277 5.012 11.559 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.246 7.541 13.878 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.610 3.527 11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.146 6.044 13.428 1.00 0.00 H new ATOM 0 HH TYR A 12 3.855 4.201 12.436 1.00 0.00 H new ATOM 214 N GLY A 13 -4.628 6.036 14.015 1.00 0.00 N ATOM 215 CA GLY A 13 -6.044 6.268 13.790 1.00 0.00 C ATOM 216 C GLY A 13 -6.384 6.565 12.344 1.00 0.00 C ATOM 217 O GLY A 13 -7.223 5.892 11.745 1.00 0.00 O ATOM 0 H GLY A 13 -4.393 5.080 14.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.604 5.391 14.114 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.371 7.102 14.411 1.00 0.00 H new ATOM 221 N ILE A 14 -5.739 7.579 11.785 1.00 0.00 N ATOM 222 CA ILE A 14 -5.983 7.971 10.403 1.00 0.00 C ATOM 223 C ILE A 14 -5.491 6.901 9.435 1.00 0.00 C ATOM 224 O ILE A 14 -6.193 6.534 8.492 1.00 0.00 O ATOM 225 CB ILE A 14 -5.309 9.323 10.074 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.863 9.896 8.764 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.794 9.176 10.004 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.420 9.145 7.524 1.00 0.00 C ATOM 0 H ILE A 14 -5.042 8.146 12.267 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.061 8.083 10.286 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.540 10.022 10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.952 9.891 8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.553 10.937 8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.345 10.142 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.418 8.823 10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.534 8.458 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.855 9.613 6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.333 9.172 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.754 8.109 7.587 1.00 0.00 H new ATOM 240 N GLU A 15 -4.286 6.399 9.675 1.00 0.00 N ATOM 241 CA GLU A 15 -3.712 5.368 8.824 1.00 0.00 C ATOM 242 C GLU A 15 -4.483 4.059 8.972 1.00 0.00 C ATOM 243 O GLU A 15 -4.483 3.224 8.067 1.00 0.00 O ATOM 244 CB GLU A 15 -2.235 5.156 9.161 1.00 0.00 C ATOM 245 CG GLU A 15 -1.315 5.306 7.961 1.00 0.00 C ATOM 246 CD GLU A 15 0.057 5.830 8.340 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.166 6.504 9.386 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.021 5.567 7.591 1.00 0.00 O ATOM 0 H GLU A 15 -3.690 6.689 10.450 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.788 5.698 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.939 5.871 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.106 4.161 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.207 4.340 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.772 5.983 7.240 1.00 0.00 H new ATOM 255 N GLY A 16 -5.149 3.890 10.113 1.00 0.00 N ATOM 256 CA GLY A 16 -5.920 2.683 10.342 1.00 0.00 C ATOM 257 C GLY A 16 -7.194 2.658 9.524 1.00 0.00 C ATOM 258 O GLY A 16 -7.689 1.589 9.167 1.00 0.00 O ATOM 0 H GLY A 16 -5.167 4.565 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.313 1.813 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.168 2.607 11.401 1.00 0.00 H new ATOM 262 N ARG A 17 -7.723 3.839 9.221 1.00 0.00 N ATOM 263 CA ARG A 17 -8.945 3.948 8.436 1.00 0.00 C ATOM 264 C ARG A 17 -8.651 3.779 6.951 1.00 0.00 C ATOM 265 O ARG A 17 -9.511 3.343 6.190 1.00 0.00 O ATOM 266 CB ARG A 17 -9.623 5.296 8.686 1.00 0.00 C ATOM 267 CG ARG A 17 -10.343 5.375 10.022 1.00 0.00 C ATOM 268 CD ARG A 17 -11.217 6.616 10.112 1.00 0.00 C ATOM 269 NE ARG A 17 -12.413 6.505 9.278 1.00 0.00 N ATOM 270 CZ ARG A 17 -13.155 7.544 8.904 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.830 8.773 9.287 1.00 0.00 N ATOM 272 NH2 ARG A 17 -14.226 7.354 8.146 1.00 0.00 N ATOM 0 H ARG A 17 -7.324 4.733 9.507 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.620 3.151 8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.872 6.085 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.337 5.488 7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.958 4.485 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.612 5.384 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.512 6.777 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.640 7.489 9.805 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.695 5.576 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.008 8.924 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.403 9.566 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.481 6.412 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.795 8.150 7.859 1.00 0.00 H new ATOM 286 N TYR A 18 -7.431 4.116 6.540 1.00 0.00 N ATOM 287 CA TYR A 18 -7.040 3.983 5.140 1.00 0.00 C ATOM 288 C TYR A 18 -7.271 2.556 4.664 1.00 0.00 C ATOM 289 O TYR A 18 -7.790 2.330 3.570 1.00 0.00 O ATOM 290 CB TYR A 18 -5.567 4.359 4.956 1.00 0.00 C ATOM 291 CG TYR A 18 -5.358 5.711 4.315 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.754 6.872 4.963 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.763 5.826 3.063 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.564 8.112 4.385 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.569 7.063 2.478 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.972 8.202 3.143 1.00 0.00 C ATOM 297 OH TYR A 18 -4.782 9.436 2.564 1.00 0.00 O ATOM 0 H TYR A 18 -6.701 4.481 7.152 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.652 4.661 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.075 4.348 5.929 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.081 3.598 4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.219 6.805 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.448 4.935 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.877 9.006 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.105 7.137 1.506 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.122 10.134 3.162 1.00 0.00 H new ATOM 307 N ALA A 19 -6.889 1.599 5.498 1.00 0.00 N ATOM 308 CA ALA A 19 -7.062 0.196 5.171 1.00 0.00 C ATOM 309 C ALA A 19 -8.528 -0.201 5.270 1.00 0.00 C ATOM 310 O ALA A 19 -9.030 -0.952 4.444 1.00 0.00 O ATOM 311 CB ALA A 19 -6.210 -0.672 6.084 1.00 0.00 C ATOM 0 H ALA A 19 -6.457 1.772 6.406 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.735 0.040 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.352 -1.721 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.160 -0.407 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.507 -0.511 7.120 1.00 0.00 H new ATOM 317 N THR A 20 -9.213 0.312 6.284 1.00 0.00 N ATOM 318 CA THR A 20 -10.622 -0.003 6.470 1.00 0.00 C ATOM 319 C THR A 20 -11.484 0.699 5.427 1.00 0.00 C ATOM 320 O THR A 20 -12.566 0.223 5.087 1.00 0.00 O ATOM 321 CB THR A 20 -11.084 0.367 7.881 1.00 0.00 C ATOM 322 OG1 THR A 20 -10.040 0.996 8.605 1.00 0.00 O ATOM 323 CG2 THR A 20 -11.542 -0.831 8.687 1.00 0.00 C ATOM 0 H THR A 20 -8.820 0.942 6.984 1.00 0.00 H new ATOM 0 HA THR A 20 -10.740 -1.079 6.341 1.00 0.00 H new ATOM 0 HB THR A 20 -11.928 1.043 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.357 1.225 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.857 -0.504 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.379 -1.312 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.720 -1.540 8.783 1.00 0.00 H new ATOM 331 N ALA A 21 -10.995 1.819 4.904 1.00 0.00 N ATOM 332 CA ALA A 21 -11.733 2.553 3.886 1.00 0.00 C ATOM 333 C ALA A 21 -11.230 2.197 2.493 1.00 0.00 C ATOM 334 O ALA A 21 -11.662 2.775 1.496 1.00 0.00 O ATOM 335 CB ALA A 21 -11.637 4.052 4.128 1.00 0.00 C ATOM 0 H ALA A 21 -10.101 2.234 5.166 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.782 2.265 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.195 4.582 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.055 4.290 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.592 4.360 4.095 1.00 0.00 H new ATOM 341 N LEU A 22 -10.336 1.218 2.436 1.00 0.00 N ATOM 342 CA LEU A 22 -9.790 0.747 1.174 1.00 0.00 C ATOM 343 C LEU A 22 -10.093 -0.722 1.041 1.00 0.00 C ATOM 344 O LEU A 22 -10.507 -1.194 -0.017 1.00 0.00 O ATOM 345 CB LEU A 22 -8.285 0.995 1.100 1.00 0.00 C ATOM 346 CG LEU A 22 -7.620 0.520 -0.193 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.156 1.707 -1.022 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.457 -0.410 0.117 1.00 0.00 C ATOM 0 H LEU A 22 -9.973 0.733 3.257 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.249 1.296 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.101 2.063 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.807 0.496 1.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.355 -0.035 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.685 1.349 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.013 2.332 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.437 2.292 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.995 -0.738 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.719 0.119 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.822 -1.278 0.667 1.00 0.00 H new ATOM 360 N TYR A 23 -9.933 -1.435 2.142 1.00 0.00 N ATOM 361 CA TYR A 23 -10.243 -2.836 2.161 1.00 0.00 C ATOM 362 C TYR A 23 -11.755 -3.005 2.277 1.00 0.00 C ATOM 363 O TYR A 23 -12.282 -4.081 2.013 1.00 0.00 O ATOM 364 CB TYR A 23 -9.510 -3.541 3.302 1.00 0.00 C ATOM 365 CG TYR A 23 -10.425 -4.185 4.311 1.00 0.00 C ATOM 366 CD1 TYR A 23 -11.013 -5.409 4.042 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.699 -3.570 5.522 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.854 -6.007 4.949 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.539 -4.160 6.439 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.118 -5.379 6.148 1.00 0.00 C ATOM 371 OH TYR A 23 -12.965 -5.965 7.053 1.00 0.00 O ATOM 0 H TYR A 23 -9.591 -1.060 3.027 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.905 -3.299 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.854 -4.304 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.873 -2.819 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.807 -5.902 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.248 -2.616 5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.305 -6.962 4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.744 -3.672 7.381 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.636 -5.312 7.344 1.00 0.00 H new ATOM 381 N SER A 24 -12.463 -1.923 2.644 1.00 0.00 N ATOM 382 CA SER A 24 -13.917 -1.981 2.743 1.00 0.00 C ATOM 383 C SER A 24 -14.467 -2.563 1.450 1.00 0.00 C ATOM 384 O SER A 24 -15.437 -3.322 1.451 1.00 0.00 O ATOM 385 CB SER A 24 -14.500 -0.587 2.992 1.00 0.00 C ATOM 386 OG SER A 24 -15.856 -0.518 2.583 1.00 0.00 O ATOM 0 H SER A 24 -12.054 -1.017 2.872 1.00 0.00 H new ATOM 0 HA SER A 24 -14.201 -2.613 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.424 -0.342 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.916 0.157 2.450 1.00 0.00 H new ATOM 0 HG SER A 24 -16.204 0.382 2.754 1.00 0.00 H new ATOM 392 N ALA A 25 -13.793 -2.231 0.353 1.00 0.00 N ATOM 393 CA ALA A 25 -14.154 -2.744 -0.953 1.00 0.00 C ATOM 394 C ALA A 25 -13.549 -4.129 -1.121 1.00 0.00 C ATOM 395 O ALA A 25 -14.145 -5.012 -1.737 1.00 0.00 O ATOM 396 CB ALA A 25 -13.672 -1.808 -2.052 1.00 0.00 C ATOM 0 H ALA A 25 -12.989 -1.604 0.349 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.239 -2.810 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.954 -2.213 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.129 -0.827 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.587 -1.713 -1.999 1.00 0.00 H new ATOM 402 N ALA A 26 -12.364 -4.318 -0.537 1.00 0.00 N ATOM 403 CA ALA A 26 -11.686 -5.604 -0.595 1.00 0.00 C ATOM 404 C ALA A 26 -12.426 -6.639 0.250 1.00 0.00 C ATOM 405 O ALA A 26 -12.270 -7.842 0.049 1.00 0.00 O ATOM 406 CB ALA A 26 -10.247 -5.468 -0.124 1.00 0.00 C ATOM 0 H ALA A 26 -11.860 -3.597 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.682 -5.943 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.755 -6.439 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.720 -4.761 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.233 -5.107 0.904 1.00 0.00 H new ATOM 412 N SER A 27 -13.236 -6.160 1.194 1.00 0.00 N ATOM 413 CA SER A 27 -14.004 -7.039 2.064 1.00 0.00 C ATOM 414 C SER A 27 -15.135 -7.693 1.284 1.00 0.00 C ATOM 415 O SER A 27 -15.350 -8.902 1.377 1.00 0.00 O ATOM 416 CB SER A 27 -14.569 -6.257 3.251 1.00 0.00 C ATOM 417 OG SER A 27 -14.738 -7.095 4.381 1.00 0.00 O ATOM 0 H SER A 27 -13.375 -5.165 1.373 1.00 0.00 H new ATOM 0 HA SER A 27 -13.340 -7.816 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.898 -5.435 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.527 -5.815 2.976 1.00 0.00 H new ATOM 0 HG SER A 27 -14.039 -6.901 5.040 1.00 0.00 H new ATOM 423 N LYS A 28 -15.849 -6.887 0.501 1.00 0.00 N ATOM 424 CA LYS A 28 -16.949 -7.394 -0.311 1.00 0.00 C ATOM 425 C LYS A 28 -16.477 -8.577 -1.147 1.00 0.00 C ATOM 426 O LYS A 28 -17.240 -9.501 -1.429 1.00 0.00 O ATOM 427 CB LYS A 28 -17.494 -6.291 -1.221 1.00 0.00 C ATOM 428 CG LYS A 28 -18.486 -5.369 -0.533 1.00 0.00 C ATOM 429 CD LYS A 28 -19.471 -4.770 -1.525 1.00 0.00 C ATOM 430 CE LYS A 28 -20.814 -4.486 -0.874 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.950 -4.767 -1.795 1.00 0.00 N ATOM 0 H LYS A 28 -15.685 -5.884 0.413 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.749 -7.724 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.661 -5.698 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.976 -6.749 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.030 -5.924 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.948 -4.569 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.061 -3.846 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.609 -5.455 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.917 -5.094 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.851 -3.443 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.848 -4.560 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.867 -4.169 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.930 -5.768 -2.075 1.00 0.00 H new ATOM 445 N GLN A 29 -15.201 -8.544 -1.523 1.00 0.00 N ATOM 446 CA GLN A 29 -14.607 -9.614 -2.309 1.00 0.00 C ATOM 447 C GLN A 29 -13.948 -10.636 -1.389 1.00 0.00 C ATOM 448 O GLN A 29 -14.038 -11.842 -1.624 1.00 0.00 O ATOM 449 CB GLN A 29 -13.577 -9.049 -3.289 1.00 0.00 C ATOM 450 CG GLN A 29 -14.192 -8.483 -4.558 1.00 0.00 C ATOM 451 CD GLN A 29 -13.185 -7.734 -5.410 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.062 -8.194 -5.611 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.585 -6.574 -5.916 1.00 0.00 N ATOM 0 H GLN A 29 -14.560 -7.785 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.396 -10.106 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.006 -8.265 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.872 -9.836 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.623 -9.296 -5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.009 -7.812 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.526 -6.231 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.951 -6.026 -6.498 1.00 0.00 H new ATOM 462 N ASN A 30 -13.278 -10.137 -0.345 1.00 0.00 N ATOM 463 CA ASN A 30 -12.586 -10.986 0.626 1.00 0.00 C ATOM 464 C ASN A 30 -11.154 -11.214 0.180 1.00 0.00 C ATOM 465 O ASN A 30 -10.591 -12.292 0.364 1.00 0.00 O ATOM 466 CB ASN A 30 -13.301 -12.329 0.815 1.00 0.00 C ATOM 467 CG ASN A 30 -13.086 -12.909 2.200 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.016 -12.177 3.187 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.979 -14.229 2.278 1.00 0.00 N ATOM 0 H ASN A 30 -13.201 -9.139 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.592 -10.472 1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.369 -12.196 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.942 -13.037 0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.832 -14.676 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.043 -14.797 1.433 1.00 0.00 H new ATOM 476 N LYS A 31 -10.576 -10.180 -0.418 1.00 0.00 N ATOM 477 CA LYS A 31 -9.213 -10.244 -0.908 1.00 0.00 C ATOM 478 C LYS A 31 -8.234 -9.652 0.102 1.00 0.00 C ATOM 479 O LYS A 31 -7.111 -9.299 -0.255 1.00 0.00 O ATOM 480 CB LYS A 31 -9.108 -9.509 -2.245 1.00 0.00 C ATOM 481 CG LYS A 31 -9.454 -10.380 -3.444 1.00 0.00 C ATOM 482 CD LYS A 31 -8.392 -10.296 -4.532 1.00 0.00 C ATOM 483 CE LYS A 31 -7.658 -11.616 -4.700 1.00 0.00 C ATOM 484 NZ LYS A 31 -8.428 -12.577 -5.537 1.00 0.00 N ATOM 0 H LYS A 31 -11.037 -9.284 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.949 -11.292 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.773 -8.645 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.093 -9.128 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.562 -11.416 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.417 -10.071 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.859 -10.016 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.678 -9.511 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.685 -11.435 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.473 -12.056 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.893 -13.464 -5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.346 -12.770 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.583 -12.169 -6.481 1.00 0.00 H new ATOM 498 N LEU A 32 -8.657 -9.561 1.368 1.00 0.00 N ATOM 499 CA LEU A 32 -7.804 -9.031 2.432 1.00 0.00 C ATOM 500 C LEU A 32 -6.383 -9.553 2.284 1.00 0.00 C ATOM 501 O LEU A 32 -5.419 -8.850 2.569 1.00 0.00 O ATOM 502 CB LEU A 32 -8.367 -9.438 3.790 1.00 0.00 C ATOM 503 CG LEU A 32 -9.455 -8.515 4.321 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.130 -9.121 5.538 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.868 -7.155 4.647 1.00 0.00 C ATOM 0 H LEU A 32 -9.585 -9.848 1.678 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.784 -7.944 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.769 -10.448 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.552 -9.472 4.513 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.214 -8.389 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.904 -8.444 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.581 -10.075 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.391 -9.280 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.653 -6.501 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.091 -7.266 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.437 -6.719 3.746 1.00 0.00 H new ATOM 517 N GLU A 33 -6.271 -10.790 1.818 1.00 0.00 N ATOM 518 CA GLU A 33 -4.970 -11.415 1.611 1.00 0.00 C ATOM 519 C GLU A 33 -4.276 -10.809 0.396 1.00 0.00 C ATOM 520 O GLU A 33 -3.094 -10.469 0.446 1.00 0.00 O ATOM 521 CB GLU A 33 -5.128 -12.926 1.425 1.00 0.00 C ATOM 522 CG GLU A 33 -4.016 -13.737 2.071 1.00 0.00 C ATOM 523 CD GLU A 33 -4.531 -14.980 2.769 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.272 -14.838 3.764 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.194 -16.096 2.319 1.00 0.00 O ATOM 0 H GLU A 33 -7.066 -11.381 1.576 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.356 -11.232 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.085 -13.237 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.159 -13.151 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.292 -14.026 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.488 -13.113 2.792 1.00 0.00 H new ATOM 532 N GLN A 34 -5.025 -10.671 -0.693 1.00 0.00 N ATOM 533 CA GLN A 34 -4.492 -10.098 -1.924 1.00 0.00 C ATOM 534 C GLN A 34 -4.169 -8.619 -1.743 1.00 0.00 C ATOM 535 O GLN A 34 -3.338 -8.064 -2.460 1.00 0.00 O ATOM 536 CB GLN A 34 -5.490 -10.282 -3.066 1.00 0.00 C ATOM 537 CG GLN A 34 -4.983 -9.783 -4.409 1.00 0.00 C ATOM 538 CD GLN A 34 -4.020 -10.750 -5.069 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.918 -11.910 -4.672 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.306 -10.275 -6.084 1.00 0.00 N ATOM 0 H GLN A 34 -6.005 -10.949 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.568 -10.621 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.739 -11.340 -3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.412 -9.757 -2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.831 -9.613 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.488 -8.822 -4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.423 -9.306 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.641 -10.879 -6.567 1.00 0.00 H new ATOM 549 N VAL A 35 -4.826 -7.984 -0.776 1.00 0.00 N ATOM 550 CA VAL A 35 -4.595 -6.570 -0.504 1.00 0.00 C ATOM 551 C VAL A 35 -3.638 -6.390 0.669 1.00 0.00 C ATOM 552 O VAL A 35 -2.996 -5.350 0.807 1.00 0.00 O ATOM 553 CB VAL A 35 -5.910 -5.809 -0.195 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.895 -4.443 -0.856 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.143 -6.608 -0.624 1.00 0.00 C ATOM 0 H VAL A 35 -5.519 -8.424 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.156 -6.152 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.972 -5.676 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.824 -3.920 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.052 -3.865 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.798 -4.562 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.044 -6.040 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.100 -6.795 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.164 -7.558 -0.091 1.00 0.00 H new ATOM 565 N GLU A 36 -3.547 -7.414 1.509 1.00 0.00 N ATOM 566 CA GLU A 36 -2.666 -7.376 2.669 1.00 0.00 C ATOM 567 C GLU A 36 -1.291 -7.885 2.281 1.00 0.00 C ATOM 568 O GLU A 36 -0.268 -7.344 2.701 1.00 0.00 O ATOM 569 CB GLU A 36 -3.231 -8.219 3.815 1.00 0.00 C ATOM 570 CG GLU A 36 -2.337 -8.253 5.045 1.00 0.00 C ATOM 571 CD GLU A 36 -1.442 -9.476 5.080 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.368 -9.445 4.444 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.817 -10.467 5.743 1.00 0.00 O ATOM 0 H GLU A 36 -4.073 -8.282 1.408 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.590 -6.344 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.208 -7.826 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.388 -9.238 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.720 -7.355 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.957 -8.235 5.941 1.00 0.00 H new ATOM 580 N LYS A 37 -1.278 -8.925 1.455 1.00 0.00 N ATOM 581 CA LYS A 37 -0.034 -9.504 0.986 1.00 0.00 C ATOM 582 C LYS A 37 0.636 -8.550 0.018 1.00 0.00 C ATOM 583 O LYS A 37 1.859 -8.413 0.014 1.00 0.00 O ATOM 584 CB LYS A 37 -0.281 -10.856 0.314 1.00 0.00 C ATOM 585 CG LYS A 37 -0.692 -11.951 1.285 1.00 0.00 C ATOM 586 CD LYS A 37 -0.652 -13.322 0.627 1.00 0.00 C ATOM 587 CE LYS A 37 -0.151 -14.387 1.589 1.00 0.00 C ATOM 588 NZ LYS A 37 -1.272 -15.141 2.216 1.00 0.00 N ATOM 0 H LYS A 37 -2.118 -9.382 1.099 1.00 0.00 H new ATOM 0 HA LYS A 37 0.621 -9.669 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.059 -10.741 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.625 -11.165 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.027 -11.941 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.698 -11.753 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.649 -13.587 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.004 -13.288 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.500 -15.080 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.452 -13.919 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.909 -16.024 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.705 -14.562 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.987 -15.365 1.494 1.00 0.00 H new ATOM 602 N GLU A 38 -0.170 -7.866 -0.793 1.00 0.00 N ATOM 603 CA GLU A 38 0.370 -6.910 -1.734 1.00 0.00 C ATOM 604 C GLU A 38 1.006 -5.752 -0.980 1.00 0.00 C ATOM 605 O GLU A 38 2.152 -5.389 -1.238 1.00 0.00 O ATOM 606 CB GLU A 38 -0.731 -6.408 -2.661 1.00 0.00 C ATOM 607 CG GLU A 38 -0.767 -7.130 -3.998 1.00 0.00 C ATOM 608 CD GLU A 38 -0.879 -8.634 -3.843 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.097 -9.256 -3.372 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.942 -9.189 -4.191 1.00 0.00 O ATOM 0 H GLU A 38 -1.185 -7.960 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 38 1.135 -7.395 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.695 -6.526 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.591 -5.341 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.612 -6.764 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.136 -6.892 -4.560 1.00 0.00 H new ATOM 617 N LEU A 39 0.263 -5.180 -0.036 1.00 0.00 N ATOM 618 CA LEU A 39 0.764 -4.065 0.761 1.00 0.00 C ATOM 619 C LEU A 39 2.169 -4.358 1.280 1.00 0.00 C ATOM 620 O LEU A 39 2.975 -3.446 1.463 1.00 0.00 O ATOM 621 CB LEU A 39 -0.183 -3.775 1.928 1.00 0.00 C ATOM 622 CG LEU A 39 -1.020 -2.504 1.771 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.435 -2.726 2.285 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.364 -1.341 2.498 1.00 0.00 C ATOM 0 H LEU A 39 -0.687 -5.470 0.195 1.00 0.00 H new ATOM 0 HA LEU A 39 0.812 -3.184 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.856 -4.624 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.404 -3.697 2.843 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.076 -2.260 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.014 -1.810 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.906 -3.530 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.400 -2.997 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.973 -0.445 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.276 -1.578 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.628 -1.165 2.082 1.00 0.00 H new ATOM 636 N LEU A 40 2.459 -5.636 1.501 1.00 0.00 N ATOM 637 CA LEU A 40 3.775 -6.039 1.984 1.00 0.00 C ATOM 638 C LEU A 40 4.852 -5.653 0.974 1.00 0.00 C ATOM 639 O LEU A 40 6.002 -5.405 1.340 1.00 0.00 O ATOM 640 CB LEU A 40 3.811 -7.547 2.239 1.00 0.00 C ATOM 641 CG LEU A 40 4.744 -7.990 3.367 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.198 -9.232 4.054 1.00 0.00 C ATOM 643 CD2 LEU A 40 6.143 -8.248 2.829 1.00 0.00 C ATOM 0 H LEU A 40 1.806 -6.406 1.355 1.00 0.00 H new ATOM 0 HA LEU A 40 3.971 -5.521 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.801 -7.885 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.113 -8.049 1.320 1.00 0.00 H new ATOM 0 HG LEU A 40 4.801 -7.188 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.875 -9.533 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.216 -9.014 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.112 -10.041 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.794 -8.562 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.103 -9.033 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.536 -7.334 2.383 1.00 0.00 H new ATOM 655 N ARG A 41 4.468 -5.598 -0.298 1.00 0.00 N ATOM 656 CA ARG A 41 5.392 -5.237 -1.366 1.00 0.00 C ATOM 657 C ARG A 41 5.878 -3.802 -1.200 1.00 0.00 C ATOM 658 O ARG A 41 7.081 -3.545 -1.166 1.00 0.00 O ATOM 659 CB ARG A 41 4.723 -5.408 -2.731 1.00 0.00 C ATOM 660 CG ARG A 41 4.592 -6.857 -3.166 1.00 0.00 C ATOM 661 CD ARG A 41 5.939 -7.563 -3.171 1.00 0.00 C ATOM 662 NE ARG A 41 6.237 -8.179 -1.880 1.00 0.00 N ATOM 663 CZ ARG A 41 7.344 -8.876 -1.630 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.258 -9.046 -2.578 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.538 -9.403 -0.429 1.00 0.00 N ATOM 0 H ARG A 41 3.519 -5.800 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 41 6.253 -5.903 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.732 -4.956 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.299 -4.863 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.909 -7.379 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.154 -6.900 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.945 -8.328 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.723 -6.848 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 41 5.558 -8.069 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.114 -8.642 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.104 -9.581 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.840 -9.275 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.386 -9.937 -0.237 1.00 0.00 H new ATOM 679 N VAL A 42 4.936 -2.868 -1.093 1.00 0.00 N ATOM 680 CA VAL A 42 5.275 -1.459 -0.926 1.00 0.00 C ATOM 681 C VAL A 42 6.219 -1.261 0.257 1.00 0.00 C ATOM 682 O VAL A 42 6.985 -0.298 0.296 1.00 0.00 O ATOM 683 CB VAL A 42 4.011 -0.593 -0.726 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.382 0.870 -0.528 1.00 0.00 C ATOM 685 CG2 VAL A 42 3.065 -0.745 -1.909 1.00 0.00 C ATOM 0 H VAL A 42 3.935 -3.062 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 42 5.775 -1.140 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 42 3.501 -0.941 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.476 1.460 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.017 0.968 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.919 1.231 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.181 -0.128 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.570 -0.428 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.766 -1.789 -2.004 1.00 0.00 H new ATOM 695 N GLY A 43 6.166 -2.181 1.216 1.00 0.00 N ATOM 696 CA GLY A 43 7.031 -2.088 2.376 1.00 0.00 C ATOM 697 C GLY A 43 8.445 -2.531 2.069 1.00 0.00 C ATOM 698 O GLY A 43 9.410 -1.907 2.512 1.00 0.00 O ATOM 0 H GLY A 43 5.541 -2.987 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.044 -1.059 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.626 -2.702 3.180 1.00 0.00 H new ATOM 702 N GLN A 44 8.570 -3.607 1.301 1.00 0.00 N ATOM 703 CA GLN A 44 9.878 -4.129 0.926 1.00 0.00 C ATOM 704 C GLN A 44 10.556 -3.196 -0.072 1.00 0.00 C ATOM 705 O GLN A 44 11.781 -3.082 -0.097 1.00 0.00 O ATOM 706 CB GLN A 44 9.741 -5.529 0.325 1.00 0.00 C ATOM 707 CG GLN A 44 10.931 -6.432 0.610 1.00 0.00 C ATOM 708 CD GLN A 44 10.689 -7.362 1.783 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.658 -6.931 2.935 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.515 -8.646 1.493 1.00 0.00 N ATOM 0 H GLN A 44 7.782 -4.135 0.926 1.00 0.00 H new ATOM 0 HA GLN A 44 10.494 -4.191 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.838 -5.997 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.612 -5.441 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.155 -7.023 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.808 -5.818 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.549 -8.959 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.347 -9.320 2.240 1.00 0.00 H new ATOM 719 N ILE A 45 9.748 -2.526 -0.887 1.00 0.00 N ATOM 720 CA ILE A 45 10.267 -1.597 -1.882 1.00 0.00 C ATOM 721 C ILE A 45 10.904 -0.388 -1.208 1.00 0.00 C ATOM 722 O ILE A 45 11.995 0.041 -1.582 1.00 0.00 O ATOM 723 CB ILE A 45 9.152 -1.119 -2.838 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.502 -2.316 -3.532 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.703 -0.139 -3.867 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.086 -2.047 -3.995 1.00 0.00 C ATOM 0 H ILE A 45 8.731 -2.610 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 45 11.022 -2.129 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 45 8.394 -0.601 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.109 -2.602 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.498 -3.165 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.899 0.184 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.122 0.728 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.482 -0.627 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.686 -2.938 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.465 -1.790 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.086 -1.219 -4.704 1.00 0.00 H new ATOM 738 N LEU A 46 10.216 0.159 -0.214 1.00 0.00 N ATOM 739 CA LEU A 46 10.717 1.318 0.508 1.00 0.00 C ATOM 740 C LEU A 46 11.947 0.955 1.332 1.00 0.00 C ATOM 741 O LEU A 46 12.934 1.690 1.352 1.00 0.00 O ATOM 742 CB LEU A 46 9.626 1.887 1.415 1.00 0.00 C ATOM 743 CG LEU A 46 9.388 3.389 1.276 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.690 4.155 1.453 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.760 3.703 -0.073 1.00 0.00 C ATOM 0 H LEU A 46 9.311 -0.182 0.109 1.00 0.00 H new ATOM 0 HA LEU A 46 11.004 2.076 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.692 1.366 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.886 1.670 2.451 1.00 0.00 H new ATOM 0 HG LEU A 46 8.698 3.704 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.500 5.223 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.100 3.952 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.404 3.839 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.596 4.777 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.427 3.374 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.806 3.183 -0.160 1.00 0.00 H new ATOM 757 N LYS A 47 11.879 -0.186 2.008 1.00 0.00 N ATOM 758 CA LYS A 47 12.987 -0.652 2.830 1.00 0.00 C ATOM 759 C LYS A 47 14.143 -1.121 1.956 1.00 0.00 C ATOM 760 O LYS A 47 15.293 -1.146 2.395 1.00 0.00 O ATOM 761 CB LYS A 47 12.528 -1.788 3.746 1.00 0.00 C ATOM 762 CG LYS A 47 13.509 -2.104 4.862 1.00 0.00 C ATOM 763 CD LYS A 47 13.532 -3.590 5.182 1.00 0.00 C ATOM 764 CE LYS A 47 12.626 -3.921 6.356 1.00 0.00 C ATOM 765 NZ LYS A 47 13.209 -4.980 7.226 1.00 0.00 N ATOM 0 H LYS A 47 11.068 -0.805 2.002 1.00 0.00 H new ATOM 0 HA LYS A 47 13.331 0.180 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.565 -1.524 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.371 -2.685 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.508 -1.778 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.237 -1.543 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.216 -4.157 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.552 -3.898 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.453 -3.021 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.656 -4.250 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.561 -5.177 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.351 -5.847 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.123 -4.656 7.602 1.00 0.00 H new ATOM 779 N GLU A 48 13.832 -1.490 0.717 1.00 0.00 N ATOM 780 CA GLU A 48 14.846 -1.956 -0.216 1.00 0.00 C ATOM 781 C GLU A 48 15.909 -0.881 -0.445 1.00 0.00 C ATOM 782 O GLU A 48 15.633 0.149 -1.060 1.00 0.00 O ATOM 783 CB GLU A 48 14.201 -2.346 -1.549 1.00 0.00 C ATOM 784 CG GLU A 48 13.900 -3.830 -1.669 1.00 0.00 C ATOM 785 CD GLU A 48 14.995 -4.590 -2.395 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.275 -4.252 -3.564 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.569 -5.522 -1.794 1.00 0.00 O ATOM 0 H GLU A 48 12.885 -1.474 0.338 1.00 0.00 H new ATOM 0 HA GLU A 48 15.329 -2.833 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.275 -1.785 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.863 -2.051 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.769 -4.252 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.957 -3.964 -2.199 1.00 0.00 H new ATOM 794 N PRO A 49 17.141 -1.103 0.048 1.00 0.00 N ATOM 795 CA PRO A 49 18.237 -0.140 -0.111 1.00 0.00 C ATOM 796 C PRO A 49 18.421 0.300 -1.560 1.00 0.00 C ATOM 797 O PRO A 49 18.946 1.381 -1.828 1.00 0.00 O ATOM 798 CB PRO A 49 19.464 -0.916 0.372 1.00 0.00 C ATOM 799 CG PRO A 49 18.922 -1.926 1.322 1.00 0.00 C ATOM 800 CD PRO A 49 17.565 -2.303 0.796 1.00 0.00 C ATOM 0 HA PRO A 49 18.052 0.781 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.984 -1.393 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.182 -0.257 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.574 -2.797 1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.850 -1.515 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.614 -3.181 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.872 -2.538 1.604 1.00 0.00 H new ATOM 808 N LYS A 50 17.989 -0.545 -2.491 1.00 0.00 N ATOM 809 CA LYS A 50 18.110 -0.242 -3.913 1.00 0.00 C ATOM 810 C LYS A 50 16.988 0.685 -4.375 1.00 0.00 C ATOM 811 O LYS A 50 17.161 1.460 -5.315 1.00 0.00 O ATOM 812 CB LYS A 50 18.090 -1.532 -4.733 1.00 0.00 C ATOM 813 CG LYS A 50 19.396 -2.308 -4.677 1.00 0.00 C ATOM 814 CD LYS A 50 19.346 -3.409 -3.630 1.00 0.00 C ATOM 815 CE LYS A 50 20.069 -4.660 -4.102 1.00 0.00 C ATOM 816 NZ LYS A 50 21.546 -4.473 -4.124 1.00 0.00 N ATOM 0 H LYS A 50 17.552 -1.444 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 50 19.061 0.267 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.282 -2.169 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.865 -1.289 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.604 -2.743 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.216 -1.626 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.799 -3.053 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.307 -3.651 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.818 -5.493 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.722 -4.925 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.002 -5.349 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.788 -3.694 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.881 -4.245 -3.166 1.00 0.00 H new ATOM 830 N MET A 51 15.839 0.597 -3.712 1.00 0.00 N ATOM 831 CA MET A 51 14.692 1.428 -4.063 1.00 0.00 C ATOM 832 C MET A 51 14.605 2.658 -3.164 1.00 0.00 C ATOM 833 O MET A 51 14.064 3.690 -3.563 1.00 0.00 O ATOM 834 CB MET A 51 13.398 0.619 -3.967 1.00 0.00 C ATOM 835 CG MET A 51 12.742 0.365 -5.315 1.00 0.00 C ATOM 836 SD MET A 51 12.995 -1.319 -5.908 1.00 0.00 S ATOM 837 CE MET A 51 12.173 -2.254 -4.620 1.00 0.00 C ATOM 0 H MET A 51 15.677 -0.039 -2.931 1.00 0.00 H new ATOM 0 HA MET A 51 14.827 1.765 -5.091 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.611 -0.337 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.695 1.147 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.673 0.561 -5.236 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.142 1.067 -6.047 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.772 -3.129 -4.367 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.054 -1.628 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.193 -2.575 -4.972 1.00 0.00 H new ATOM 847 N ALA A 52 15.137 2.545 -1.952 1.00 0.00 N ATOM 848 CA ALA A 52 15.114 3.652 -1.004 1.00 0.00 C ATOM 849 C ALA A 52 15.795 4.883 -1.588 1.00 0.00 C ATOM 850 O ALA A 52 15.236 5.979 -1.574 1.00 0.00 O ATOM 851 CB ALA A 52 15.780 3.245 0.302 1.00 0.00 C ATOM 0 H ALA A 52 15.589 1.699 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 52 14.073 3.905 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.755 4.082 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.248 2.397 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.815 2.964 0.110 1.00 0.00 H new ATOM 857 N ALA A 53 17.002 4.691 -2.108 1.00 0.00 N ATOM 858 CA ALA A 53 17.756 5.785 -2.706 1.00 0.00 C ATOM 859 C ALA A 53 17.032 6.348 -3.927 1.00 0.00 C ATOM 860 O ALA A 53 17.309 7.465 -4.363 1.00 0.00 O ATOM 861 CB ALA A 53 19.151 5.316 -3.088 1.00 0.00 C ATOM 0 H ALA A 53 17.478 3.789 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 53 17.842 6.582 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.704 6.143 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.674 4.968 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.076 4.500 -3.807 1.00 0.00 H new ATOM 867 N SER A 54 16.105 5.567 -4.475 1.00 0.00 N ATOM 868 CA SER A 54 15.343 5.986 -5.645 1.00 0.00 C ATOM 869 C SER A 54 14.069 6.718 -5.236 1.00 0.00 C ATOM 870 O SER A 54 13.792 7.816 -5.717 1.00 0.00 O ATOM 871 CB SER A 54 14.992 4.775 -6.511 1.00 0.00 C ATOM 872 OG SER A 54 14.764 5.158 -7.856 1.00 0.00 O ATOM 0 H SER A 54 15.864 4.639 -4.126 1.00 0.00 H new ATOM 0 HA SER A 54 15.963 6.672 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.802 4.047 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.103 4.285 -6.113 1.00 0.00 H new ATOM 0 HG SER A 54 14.543 4.366 -8.389 1.00 0.00 H new ATOM 878 N LEU A 55 13.294 6.101 -4.350 1.00 0.00 N ATOM 879 CA LEU A 55 12.046 6.694 -3.882 1.00 0.00 C ATOM 880 C LEU A 55 12.304 7.969 -3.087 1.00 0.00 C ATOM 881 O LEU A 55 11.454 8.857 -3.028 1.00 0.00 O ATOM 882 CB LEU A 55 11.271 5.691 -3.025 1.00 0.00 C ATOM 883 CG LEU A 55 10.521 4.613 -3.812 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.365 3.353 -3.925 1.00 0.00 C ATOM 885 CD2 LEU A 55 9.181 4.305 -3.157 1.00 0.00 C ATOM 0 H LEU A 55 13.508 5.191 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 55 11.450 6.954 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.968 5.203 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.554 6.237 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 55 10.330 4.990 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.817 2.597 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.297 3.584 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.587 2.973 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.663 3.537 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.346 3.949 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.573 5.209 -3.130 1.00 0.00 H new ATOM 897 N LEU A 56 13.482 8.057 -2.476 1.00 0.00 N ATOM 898 CA LEU A 56 13.847 9.226 -1.686 1.00 0.00 C ATOM 899 C LEU A 56 14.250 10.392 -2.585 1.00 0.00 C ATOM 900 O LEU A 56 14.163 11.554 -2.189 1.00 0.00 O ATOM 901 CB LEU A 56 14.990 8.885 -0.728 1.00 0.00 C ATOM 902 CG LEU A 56 15.059 9.748 0.534 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.463 11.173 0.187 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.723 9.733 1.263 1.00 0.00 C ATOM 0 H LEU A 56 14.199 7.333 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 56 12.974 9.526 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.895 7.841 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.934 8.978 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 56 15.817 9.329 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.506 11.771 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.443 11.167 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.730 11.603 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.790 10.352 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.946 10.126 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.475 8.710 1.547 1.00 0.00 H new ATOM 916 N ASN A 57 14.695 10.076 -3.799 1.00 0.00 N ATOM 917 CA ASN A 57 15.113 11.099 -4.749 1.00 0.00 C ATOM 918 C ASN A 57 13.965 12.065 -5.050 1.00 0.00 C ATOM 919 O ASN A 57 12.865 11.638 -5.399 1.00 0.00 O ATOM 920 CB ASN A 57 15.601 10.447 -6.045 1.00 0.00 C ATOM 921 CG ASN A 57 17.012 10.868 -6.407 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.790 11.279 -5.546 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.350 10.767 -7.688 1.00 0.00 N ATOM 0 H ASN A 57 14.775 9.120 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 57 15.931 11.665 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.564 9.363 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.926 10.712 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.286 11.035 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.673 10.421 -8.368 1.00 0.00 H new ATOM 930 N PRO A 58 14.203 13.385 -4.921 1.00 0.00 N ATOM 931 CA PRO A 58 13.176 14.402 -5.187 1.00 0.00 C ATOM 932 C PRO A 58 12.757 14.448 -6.656 1.00 0.00 C ATOM 933 O PRO A 58 11.819 15.157 -7.020 1.00 0.00 O ATOM 934 CB PRO A 58 13.851 15.725 -4.789 1.00 0.00 C ATOM 935 CG PRO A 58 15.051 15.337 -3.992 1.00 0.00 C ATOM 936 CD PRO A 58 15.477 13.995 -4.510 1.00 0.00 C ATOM 0 HA PRO A 58 12.260 14.192 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.135 16.301 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.176 16.349 -4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.849 16.070 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.814 15.287 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.170 14.086 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.979 13.406 -3.742 1.00 0.00 H new ATOM 944 N TYR A 59 13.462 13.697 -7.496 1.00 0.00 N ATOM 945 CA TYR A 59 13.169 13.659 -8.925 1.00 0.00 C ATOM 946 C TYR A 59 12.004 12.721 -9.229 1.00 0.00 C ATOM 947 O TYR A 59 11.292 12.904 -10.216 1.00 0.00 O ATOM 948 CB TYR A 59 14.413 13.220 -9.697 1.00 0.00 C ATOM 949 CG TYR A 59 15.656 13.995 -9.321 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.375 13.679 -8.176 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.104 15.050 -10.106 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.505 14.388 -7.824 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.236 15.765 -9.761 1.00 0.00 C ATOM 954 CZ TYR A 59 17.932 15.431 -8.619 1.00 0.00 C ATOM 955 OH TYR A 59 19.058 16.141 -8.271 1.00 0.00 O ATOM 0 H TYR A 59 14.242 13.105 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 59 12.881 14.662 -9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.587 12.159 -9.518 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.229 13.337 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.044 12.864 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.559 15.316 -11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.053 14.128 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.573 16.581 -10.383 1.00 0.00 H new ATOM 0 HH TYR A 59 19.222 16.841 -8.937 1.00 0.00 H new ATOM 965 N VAL A 60 11.814 11.718 -8.377 1.00 0.00 N ATOM 966 CA VAL A 60 10.735 10.755 -8.563 1.00 0.00 C ATOM 967 C VAL A 60 9.375 11.448 -8.594 1.00 0.00 C ATOM 968 O VAL A 60 8.435 10.962 -9.222 1.00 0.00 O ATOM 969 CB VAL A 60 10.730 9.692 -7.450 1.00 0.00 C ATOM 970 CG1 VAL A 60 12.008 8.868 -7.494 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.553 10.344 -6.085 1.00 0.00 C ATOM 0 H VAL A 60 12.392 11.552 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 60 10.913 10.266 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 60 9.886 9.022 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.987 8.121 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.086 8.369 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.868 9.523 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.552 9.575 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.373 11.039 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.607 10.885 -6.060 1.00 0.00 H new ATOM 981 N LYS A 61 9.278 12.585 -7.912 1.00 0.00 N ATOM 982 CA LYS A 61 8.033 13.343 -7.862 1.00 0.00 C ATOM 983 C LYS A 61 6.925 12.525 -7.206 1.00 0.00 C ATOM 984 O LYS A 61 7.152 11.401 -6.759 1.00 0.00 O ATOM 985 CB LYS A 61 7.611 13.763 -9.274 1.00 0.00 C ATOM 986 CG LYS A 61 7.233 15.232 -9.382 1.00 0.00 C ATOM 987 CD LYS A 61 5.735 15.411 -9.578 1.00 0.00 C ATOM 988 CE LYS A 61 5.431 16.545 -10.543 1.00 0.00 C ATOM 989 NZ LYS A 61 4.167 17.250 -10.194 1.00 0.00 N ATOM 0 H LYS A 61 10.047 13.001 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 61 8.202 14.237 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.427 13.554 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.763 13.154 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.548 15.757 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.767 15.685 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.303 14.484 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.263 15.614 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.257 17.257 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.358 16.149 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.997 18.016 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.375 16.577 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.245 17.650 -9.237 1.00 0.00 H new ATOM 1003 N ARG A 62 5.726 13.096 -7.153 1.00 0.00 N ATOM 1004 CA ARG A 62 4.583 12.419 -6.551 1.00 0.00 C ATOM 1005 C ARG A 62 3.693 11.797 -7.622 1.00 0.00 C ATOM 1006 O ARG A 62 3.060 10.766 -7.393 1.00 0.00 O ATOM 1007 CB ARG A 62 3.771 13.402 -5.704 1.00 0.00 C ATOM 1008 CG ARG A 62 2.584 12.762 -5.004 1.00 0.00 C ATOM 1009 CD ARG A 62 1.466 13.767 -4.772 1.00 0.00 C ATOM 1010 NE ARG A 62 1.861 14.818 -3.838 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.213 15.974 -3.706 1.00 0.00 C ATOM 1012 NH1 ARG A 62 0.142 16.230 -4.446 1.00 0.00 N ATOM 1013 NH2 ARG A 62 1.638 16.876 -2.832 1.00 0.00 N ATOM 0 H ARG A 62 5.521 14.025 -7.519 1.00 0.00 H new ATOM 0 HA ARG A 62 4.960 11.622 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.425 13.851 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.414 14.210 -6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.210 11.932 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.904 12.346 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.179 14.216 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.588 13.250 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 62 2.681 14.657 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.189 15.540 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.350 17.117 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.461 16.684 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.142 17.761 -2.731 1.00 0.00 H new ATOM 1027 N SER A 63 3.650 12.429 -8.790 1.00 0.00 N ATOM 1028 CA SER A 63 2.837 11.936 -9.896 1.00 0.00 C ATOM 1029 C SER A 63 3.637 10.979 -10.775 1.00 0.00 C ATOM 1030 O SER A 63 3.152 9.910 -11.147 1.00 0.00 O ATOM 1031 CB SER A 63 2.319 13.105 -10.735 1.00 0.00 C ATOM 1032 OG SER A 63 1.112 12.762 -11.394 1.00 0.00 O ATOM 0 H SER A 63 4.168 13.283 -8.995 1.00 0.00 H new ATOM 0 HA SER A 63 1.989 11.394 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.154 13.972 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.071 13.390 -11.471 1.00 0.00 H new ATOM 0 HG SER A 63 0.799 13.526 -11.923 1.00 0.00 H new ATOM 1038 N VAL A 64 4.863 11.370 -11.104 1.00 0.00 N ATOM 1039 CA VAL A 64 5.730 10.547 -11.938 1.00 0.00 C ATOM 1040 C VAL A 64 5.996 9.195 -11.285 1.00 0.00 C ATOM 1041 O VAL A 64 6.021 8.164 -11.957 1.00 0.00 O ATOM 1042 CB VAL A 64 7.075 11.246 -12.215 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.904 10.441 -13.205 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.848 12.662 -12.727 1.00 0.00 C ATOM 0 H VAL A 64 5.279 12.252 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 64 5.209 10.395 -12.883 1.00 0.00 H new ATOM 0 HB VAL A 64 7.629 11.307 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.850 10.951 -13.387 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.100 9.450 -12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.357 10.344 -14.143 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.810 13.139 -12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.272 12.627 -13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.300 13.236 -11.980 1.00 0.00 H new ATOM 1054 N LYS A 65 6.194 9.207 -9.972 1.00 0.00 N ATOM 1055 CA LYS A 65 6.457 7.981 -9.227 1.00 0.00 C ATOM 1056 C LYS A 65 5.290 7.008 -9.357 1.00 0.00 C ATOM 1057 O LYS A 65 5.484 5.793 -9.401 1.00 0.00 O ATOM 1058 CB LYS A 65 6.713 8.300 -7.752 1.00 0.00 C ATOM 1059 CG LYS A 65 7.915 7.572 -7.171 1.00 0.00 C ATOM 1060 CD LYS A 65 7.497 6.329 -6.401 1.00 0.00 C ATOM 1061 CE LYS A 65 7.763 5.062 -7.198 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.189 4.955 -7.612 1.00 0.00 N ATOM 0 H LYS A 65 6.177 10.052 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 65 7.346 7.511 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.861 9.374 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.827 8.040 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.595 7.291 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.463 8.243 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.039 6.286 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.436 6.391 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.493 4.193 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.126 5.049 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.250 4.953 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.722 5.765 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.593 4.072 -7.240 1.00 0.00 H new ATOM 1076 N VAL A 66 4.078 7.550 -9.416 1.00 0.00 N ATOM 1077 CA VAL A 66 2.880 6.729 -9.540 1.00 0.00 C ATOM 1078 C VAL A 66 2.917 5.890 -10.813 1.00 0.00 C ATOM 1079 O VAL A 66 2.411 4.769 -10.845 1.00 0.00 O ATOM 1080 CB VAL A 66 1.604 7.594 -9.545 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.362 6.717 -9.520 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.607 8.561 -8.369 1.00 0.00 C ATOM 0 H VAL A 66 3.900 8.554 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 66 2.859 6.068 -8.673 1.00 0.00 H new ATOM 0 HB VAL A 66 1.589 8.178 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.528 7.346 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.354 6.072 -10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.368 6.103 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.698 9.163 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.648 7.999 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.476 9.215 -8.438 1.00 0.00 H new ATOM 1092 N LYS A 67 3.520 6.441 -11.861 1.00 0.00 N ATOM 1093 CA LYS A 67 3.623 5.742 -13.137 1.00 0.00 C ATOM 1094 C LYS A 67 4.600 4.575 -13.040 1.00 0.00 C ATOM 1095 O LYS A 67 4.352 3.498 -13.585 1.00 0.00 O ATOM 1096 CB LYS A 67 4.070 6.707 -14.237 1.00 0.00 C ATOM 1097 CG LYS A 67 2.934 7.527 -14.826 1.00 0.00 C ATOM 1098 CD LYS A 67 2.015 6.669 -15.682 1.00 0.00 C ATOM 1099 CE LYS A 67 0.711 7.387 -15.990 1.00 0.00 C ATOM 1100 NZ LYS A 67 -0.121 6.635 -16.969 1.00 0.00 N ATOM 0 H LYS A 67 3.944 7.368 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 67 2.638 5.348 -13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.823 7.383 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.548 6.139 -15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.360 7.987 -14.021 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.343 8.338 -15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.519 6.412 -16.614 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.803 5.733 -15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.148 7.527 -15.068 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.928 8.379 -16.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.001 7.159 -17.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.406 6.523 -17.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.350 5.697 -16.582 1.00 0.00 H new ATOM 1114 N SER A 68 5.711 4.795 -12.345 1.00 0.00 N ATOM 1115 CA SER A 68 6.725 3.760 -12.178 1.00 0.00 C ATOM 1116 C SER A 68 6.192 2.607 -11.333 1.00 0.00 C ATOM 1117 O SER A 68 6.584 1.456 -11.518 1.00 0.00 O ATOM 1118 CB SER A 68 7.980 4.346 -11.528 1.00 0.00 C ATOM 1119 OG SER A 68 7.825 4.452 -10.123 1.00 0.00 O ATOM 0 H SER A 68 5.932 5.680 -11.889 1.00 0.00 H new ATOM 0 HA SER A 68 6.981 3.375 -13.165 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.839 3.715 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.186 5.330 -11.950 1.00 0.00 H new ATOM 0 HG SER A 68 6.971 4.887 -9.920 1.00 0.00 H new ATOM 1125 N LEU A 69 5.295 2.926 -10.406 1.00 0.00 N ATOM 1126 CA LEU A 69 4.708 1.916 -9.533 1.00 0.00 C ATOM 1127 C LEU A 69 3.817 0.964 -10.325 1.00 0.00 C ATOM 1128 O LEU A 69 3.692 -0.211 -9.985 1.00 0.00 O ATOM 1129 CB LEU A 69 3.898 2.582 -8.418 1.00 0.00 C ATOM 1130 CG LEU A 69 4.707 3.469 -7.470 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.801 4.479 -6.780 1.00 0.00 C ATOM 1132 CD2 LEU A 69 5.441 2.619 -6.442 1.00 0.00 C ATOM 0 H LEU A 69 4.959 3.875 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 69 5.520 1.341 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.111 3.185 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.407 1.805 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 69 5.446 4.015 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.394 5.101 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.321 5.108 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.039 3.952 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.012 3.266 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.718 2.046 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.119 1.935 -6.953 1.00 0.00 H new ATOM 1144 N SER A 70 3.197 1.481 -11.379 1.00 0.00 N ATOM 1145 CA SER A 70 2.314 0.679 -12.218 1.00 0.00 C ATOM 1146 C SER A 70 3.096 -0.392 -12.969 1.00 0.00 C ATOM 1147 O SER A 70 2.695 -1.554 -13.008 1.00 0.00 O ATOM 1148 CB SER A 70 1.562 1.571 -13.208 1.00 0.00 C ATOM 1149 OG SER A 70 0.640 2.412 -12.537 1.00 0.00 O ATOM 0 H SER A 70 3.289 2.453 -11.674 1.00 0.00 H new ATOM 0 HA SER A 70 1.592 0.184 -11.568 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.273 2.179 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.033 0.951 -13.932 1.00 0.00 H new ATOM 0 HG SER A 70 0.173 2.973 -13.191 1.00 0.00 H new ATOM 1155 N ASP A 71 4.219 -0.002 -13.557 1.00 0.00 N ATOM 1156 CA ASP A 71 5.053 -0.944 -14.288 1.00 0.00 C ATOM 1157 C ASP A 71 5.918 -1.736 -13.319 1.00 0.00 C ATOM 1158 O ASP A 71 6.277 -2.883 -13.582 1.00 0.00 O ATOM 1159 CB ASP A 71 5.930 -0.214 -15.307 1.00 0.00 C ATOM 1160 CG ASP A 71 5.143 0.262 -16.513 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.159 -0.414 -16.883 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.510 1.308 -17.086 1.00 0.00 O ATOM 0 H ASP A 71 4.571 0.955 -13.542 1.00 0.00 H new ATOM 0 HA ASP A 71 4.404 -1.633 -14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.405 0.641 -14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.728 -0.879 -15.637 1.00 0.00 H new ATOM 1167 N MET A 72 6.232 -1.118 -12.187 1.00 0.00 N ATOM 1168 CA MET A 72 7.036 -1.766 -11.166 1.00 0.00 C ATOM 1169 C MET A 72 6.182 -2.738 -10.371 1.00 0.00 C ATOM 1170 O MET A 72 6.681 -3.752 -9.885 1.00 0.00 O ATOM 1171 CB MET A 72 7.666 -0.725 -10.235 1.00 0.00 C ATOM 1172 CG MET A 72 8.360 -1.321 -9.020 1.00 0.00 C ATOM 1173 SD MET A 72 8.811 -0.075 -7.798 1.00 0.00 S ATOM 1174 CE MET A 72 7.259 0.113 -6.921 1.00 0.00 C ATOM 0 H MET A 72 5.940 -0.168 -11.956 1.00 0.00 H new ATOM 0 HA MET A 72 7.839 -2.319 -11.654 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.388 -0.136 -10.801 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.890 -0.038 -9.897 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.704 -2.058 -8.557 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.257 -1.850 -9.342 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.398 0.786 -6.075 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.508 0.527 -7.594 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.925 -0.860 -6.559 1.00 0.00 H new ATOM 1184 N THR A 73 4.889 -2.441 -10.250 1.00 0.00 N ATOM 1185 CA THR A 73 4.005 -3.328 -9.520 1.00 0.00 C ATOM 1186 C THR A 73 3.936 -4.675 -10.210 1.00 0.00 C ATOM 1187 O THR A 73 3.754 -5.705 -9.561 1.00 0.00 O ATOM 1188 CB THR A 73 2.604 -2.752 -9.377 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.822 -3.620 -8.590 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.872 -2.571 -10.679 1.00 0.00 C ATOM 0 H THR A 73 4.444 -1.611 -10.641 1.00 0.00 H new ATOM 0 HA THR A 73 4.418 -3.445 -8.518 1.00 0.00 H new ATOM 0 HB THR A 73 2.740 -1.769 -8.927 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.272 -3.780 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.883 -2.156 -10.486 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.432 -1.890 -11.320 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.770 -3.536 -11.176 1.00 0.00 H new ATOM 1198 N ALA A 74 4.107 -4.673 -11.531 1.00 0.00 N ATOM 1199 CA ALA A 74 4.086 -5.914 -12.285 1.00 0.00 C ATOM 1200 C ALA A 74 5.019 -6.925 -11.633 1.00 0.00 C ATOM 1201 O ALA A 74 4.801 -8.135 -11.713 1.00 0.00 O ATOM 1202 CB ALA A 74 4.484 -5.669 -13.733 1.00 0.00 C ATOM 0 H ALA A 74 4.259 -3.834 -12.091 1.00 0.00 H new ATOM 0 HA ALA A 74 3.072 -6.315 -12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.462 -6.611 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.785 -4.968 -14.189 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.491 -5.252 -13.768 1.00 0.00 H new ATOM 1208 N LYS A 75 6.057 -6.413 -10.970 1.00 0.00 N ATOM 1209 CA LYS A 75 7.014 -7.265 -10.283 1.00 0.00 C ATOM 1210 C LYS A 75 6.695 -7.357 -8.794 1.00 0.00 C ATOM 1211 O LYS A 75 7.084 -8.317 -8.128 1.00 0.00 O ATOM 1212 CB LYS A 75 8.438 -6.743 -10.486 1.00 0.00 C ATOM 1213 CG LYS A 75 9.134 -7.328 -11.704 1.00 0.00 C ATOM 1214 CD LYS A 75 10.057 -6.313 -12.359 1.00 0.00 C ATOM 1215 CE LYS A 75 11.398 -6.239 -11.646 1.00 0.00 C ATOM 1216 NZ LYS A 75 12.275 -5.181 -12.219 1.00 0.00 N ATOM 0 H LYS A 75 6.252 -5.414 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 75 6.941 -8.265 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.408 -5.658 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.028 -6.968 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.708 -8.206 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.388 -7.662 -12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.213 -6.582 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.584 -5.331 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.235 -6.041 -10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.900 -7.204 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.179 -5.163 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.452 -5.383 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.808 -4.256 -12.129 1.00 0.00 H new ATOM 1230 N GLU A 76 5.982 -6.361 -8.271 1.00 0.00 N ATOM 1231 CA GLU A 76 5.615 -6.352 -6.863 1.00 0.00 C ATOM 1232 C GLU A 76 4.536 -7.389 -6.582 1.00 0.00 C ATOM 1233 O GLU A 76 4.767 -8.349 -5.848 1.00 0.00 O ATOM 1234 CB GLU A 76 5.125 -4.964 -6.447 1.00 0.00 C ATOM 1235 CG GLU A 76 6.156 -3.866 -6.648 1.00 0.00 C ATOM 1236 CD GLU A 76 7.500 -4.205 -6.031 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.527 -4.997 -5.067 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.524 -3.677 -6.513 1.00 0.00 O ATOM 0 H GLU A 76 5.650 -5.555 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 76 6.501 -6.603 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.230 -4.718 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.836 -4.990 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.286 -3.686 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.784 -2.939 -6.211 1.00 0.00 H new ATOM 1245 N LYS A 77 3.359 -7.187 -7.181 1.00 0.00 N ATOM 1246 CA LYS A 77 2.221 -8.102 -7.014 1.00 0.00 C ATOM 1247 C LYS A 77 0.893 -7.392 -7.275 1.00 0.00 C ATOM 1248 O LYS A 77 -0.043 -7.993 -7.803 1.00 0.00 O ATOM 1249 CB LYS A 77 2.196 -8.708 -5.604 1.00 0.00 C ATOM 1250 CG LYS A 77 2.742 -10.126 -5.541 1.00 0.00 C ATOM 1251 CD LYS A 77 1.634 -11.155 -5.699 1.00 0.00 C ATOM 1252 CE LYS A 77 2.057 -12.514 -5.164 1.00 0.00 C ATOM 1253 NZ LYS A 77 0.924 -13.236 -4.522 1.00 0.00 N ATOM 0 H LYS A 77 3.167 -6.392 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 77 2.349 -8.900 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.777 -8.074 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.170 -8.706 -5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.485 -10.266 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.250 -10.280 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.743 -10.816 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.366 -11.244 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.456 -13.117 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.862 -12.385 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.254 -14.158 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.559 -12.673 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.166 -13.383 -5.219 1.00 0.00 H new ATOM 1267 N PHE A 78 0.807 -6.119 -6.884 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.419 -5.338 -7.057 1.00 0.00 C ATOM 1269 C PHE A 78 -1.048 -5.557 -8.404 1.00 0.00 C ATOM 1270 O PHE A 78 -0.409 -6.027 -9.344 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.159 -3.845 -6.893 1.00 0.00 C ATOM 1272 CG PHE A 78 0.799 -3.549 -5.801 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.571 -4.047 -4.541 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.934 -2.801 -6.037 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.458 -3.803 -3.525 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.835 -2.557 -5.026 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.596 -3.059 -3.763 1.00 0.00 C ATOM 0 H PHE A 78 1.572 -5.607 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.101 -5.685 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.228 -3.442 -7.829 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.102 -3.336 -6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.314 -4.635 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.117 -2.403 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.266 -4.194 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.724 -1.976 -5.220 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.297 -2.870 -2.963 1.00 0.00 H new ATOM 1287 N SER A 79 -2.309 -5.173 -8.483 1.00 0.00 N ATOM 1288 CA SER A 79 -3.068 -5.277 -9.715 1.00 0.00 C ATOM 1289 C SER A 79 -4.572 -5.266 -9.465 1.00 0.00 C ATOM 1290 O SER A 79 -5.321 -4.661 -10.233 1.00 0.00 O ATOM 1291 CB SER A 79 -2.692 -6.533 -10.516 1.00 0.00 C ATOM 1292 OG SER A 79 -2.293 -7.594 -9.666 1.00 0.00 O ATOM 0 H SER A 79 -2.833 -4.783 -7.700 1.00 0.00 H new ATOM 0 HA SER A 79 -2.807 -4.396 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.543 -6.849 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.883 -6.296 -11.207 1.00 0.00 H new ATOM 0 HG SER A 79 -1.326 -7.545 -9.513 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.058 -5.976 -8.433 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.471 -6.069 -8.154 1.00 0.00 C ATOM 1300 C PRO A 80 -6.961 -5.202 -6.999 1.00 0.00 C ATOM 1301 O PRO A 80 -7.652 -4.208 -7.223 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.611 -7.550 -7.814 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.272 -7.955 -7.248 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.308 -6.812 -7.499 1.00 0.00 C ATOM 0 HA PRO A 80 -7.072 -5.710 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.410 -7.714 -7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.857 -8.136 -8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.353 -8.161 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.915 -8.869 -7.723 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.062 -6.278 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.368 -7.159 -7.928 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.625 -5.573 -5.767 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.069 -4.801 -4.622 1.00 0.00 C ATOM 1314 C LEU A 81 -6.013 -3.788 -4.241 1.00 0.00 C ATOM 1315 O LEU A 81 -6.159 -3.043 -3.271 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.376 -5.718 -3.443 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.745 -6.397 -3.496 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.857 -5.358 -3.491 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.851 -7.285 -4.727 1.00 0.00 C ATOM 0 H LEU A 81 -6.057 -6.390 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.984 -4.273 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.606 -6.488 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.310 -5.137 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.854 -7.022 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.824 -5.860 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.793 -4.761 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.751 -4.708 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.832 -7.761 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.721 -6.680 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.077 -8.051 -4.691 1.00 0.00 H new ATOM 1331 N THR A 82 -4.946 -3.773 -5.019 1.00 0.00 N ATOM 1332 CA THR A 82 -3.849 -2.870 -4.787 1.00 0.00 C ATOM 1333 C THR A 82 -3.616 -1.967 -5.989 1.00 0.00 C ATOM 1334 O THR A 82 -2.765 -1.082 -5.946 1.00 0.00 O ATOM 1335 CB THR A 82 -2.595 -3.663 -4.463 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.904 -5.033 -4.273 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.911 -3.168 -3.211 1.00 0.00 C ATOM 0 H THR A 82 -4.822 -4.386 -5.825 1.00 0.00 H new ATOM 0 HA THR A 82 -4.098 -2.232 -3.939 1.00 0.00 H new ATOM 0 HB THR A 82 -1.925 -3.531 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.108 -5.194 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.020 -3.767 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.626 -2.124 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.593 -3.255 -2.365 1.00 0.00 H new ATOM 1345 N SER A 83 -4.381 -2.171 -7.062 1.00 0.00 N ATOM 1346 CA SER A 83 -4.225 -1.338 -8.242 1.00 0.00 C ATOM 1347 C SER A 83 -5.036 -0.053 -8.107 1.00 0.00 C ATOM 1348 O SER A 83 -5.416 0.570 -9.098 1.00 0.00 O ATOM 1349 CB SER A 83 -4.650 -2.084 -9.501 1.00 0.00 C ATOM 1350 OG SER A 83 -3.525 -2.480 -10.264 1.00 0.00 O ATOM 0 H SER A 83 -5.099 -2.892 -7.134 1.00 0.00 H new ATOM 0 HA SER A 83 -3.168 -1.084 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.235 -2.962 -9.227 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.296 -1.446 -10.104 1.00 0.00 H new ATOM 0 HG SER A 83 -3.824 -2.843 -11.124 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.273 0.335 -6.868 1.00 0.00 N ATOM 1357 CA ASN A 84 -6.010 1.542 -6.543 1.00 0.00 C ATOM 1358 C ASN A 84 -5.322 2.172 -5.357 1.00 0.00 C ATOM 1359 O ASN A 84 -5.024 3.366 -5.344 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.470 1.222 -6.214 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.267 2.462 -5.856 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.770 3.583 -5.953 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.513 2.265 -5.439 1.00 0.00 N ATOM 0 H ASN A 84 -4.956 -0.185 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.021 2.224 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.933 0.730 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.506 0.517 -5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.097 3.061 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.885 1.318 -5.374 1.00 0.00 H new ATOM 1370 N LEU A 85 -5.009 1.322 -4.388 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.283 1.746 -3.218 1.00 0.00 C ATOM 1372 C LEU A 85 -2.876 2.137 -3.644 1.00 0.00 C ATOM 1373 O LEU A 85 -2.192 2.887 -2.950 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.225 0.615 -2.185 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.311 0.875 -0.986 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.796 2.080 -0.195 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -3.235 -0.357 -0.095 1.00 0.00 C ATOM 0 H LEU A 85 -5.252 0.331 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.787 2.597 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.234 0.427 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.893 -0.295 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.309 1.091 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.133 2.249 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.795 2.961 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.808 1.895 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.580 -0.153 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.232 -0.605 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.838 -1.196 -0.667 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.447 1.623 -4.808 1.00 0.00 N ATOM 1390 CA ILE A 86 -1.126 1.932 -5.318 1.00 0.00 C ATOM 1391 C ILE A 86 -1.004 3.423 -5.617 1.00 0.00 C ATOM 1392 O ILE A 86 -0.040 4.071 -5.213 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.790 1.092 -6.580 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.217 -0.005 -6.231 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.245 1.963 -7.707 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.222 -0.886 -5.083 1.00 0.00 C ATOM 0 H ILE A 86 -2.998 1.000 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.403 1.670 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.716 0.635 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.385 -0.626 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.172 0.456 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.022 1.340 -8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.989 2.711 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.665 2.461 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.541 -1.641 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.362 -0.277 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.161 -1.376 -5.339 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.997 3.959 -6.317 1.00 0.00 N ATOM 1409 CA ASN A 87 -2.008 5.375 -6.658 1.00 0.00 C ATOM 1410 C ASN A 87 -2.314 6.216 -5.424 1.00 0.00 C ATOM 1411 O ASN A 87 -1.882 7.363 -5.319 1.00 0.00 O ATOM 1412 CB ASN A 87 -3.041 5.654 -7.751 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.573 5.200 -9.120 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -2.251 6.019 -9.982 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.532 3.889 -9.328 1.00 0.00 N ATOM 0 H ASN A 87 -2.803 3.435 -6.658 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.021 5.646 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.974 5.148 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.256 6.722 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.225 3.525 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.808 3.246 -8.586 1.00 0.00 H new ATOM 1422 N LEU A 88 -3.060 5.631 -4.490 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.423 6.321 -3.259 1.00 0.00 C ATOM 1424 C LEU A 88 -2.239 6.381 -2.302 1.00 0.00 C ATOM 1425 O LEU A 88 -2.034 7.387 -1.621 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.607 5.621 -2.588 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.696 6.556 -2.058 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -7.065 5.905 -2.184 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.415 6.934 -0.612 1.00 0.00 C ATOM 0 H LEU A 88 -3.424 4.681 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.712 7.341 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.057 4.934 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.232 5.019 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.692 7.466 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.827 6.584 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.268 5.684 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.082 4.980 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.199 7.599 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.392 6.033 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.452 7.441 -0.549 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.458 5.307 -2.253 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.297 5.261 -1.377 1.00 0.00 C ATOM 1443 C LEU A 89 0.777 6.228 -1.858 1.00 0.00 C ATOM 1444 O LEU A 89 1.537 6.777 -1.060 1.00 0.00 O ATOM 1445 CB LEU A 89 0.264 3.839 -1.304 1.00 0.00 C ATOM 1446 CG LEU A 89 0.030 3.130 0.029 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.161 1.636 -0.182 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.186 3.397 0.980 1.00 0.00 C ATOM 0 H LEU A 89 -1.608 4.463 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.611 5.563 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.184 3.245 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.336 3.875 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.882 3.527 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.326 1.151 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.024 1.467 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.730 1.218 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.005 2.885 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.112 3.028 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.271 4.469 1.158 1.00 0.00 H new ATOM 1460 N ALA A 90 0.830 6.439 -3.169 1.00 0.00 N ATOM 1461 CA ALA A 90 1.806 7.345 -3.758 1.00 0.00 C ATOM 1462 C ALA A 90 1.199 8.723 -4.016 1.00 0.00 C ATOM 1463 O ALA A 90 1.777 9.539 -4.734 1.00 0.00 O ATOM 1464 CB ALA A 90 2.356 6.760 -5.050 1.00 0.00 C ATOM 0 H ALA A 90 0.207 5.994 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 90 2.624 7.466 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.084 7.448 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.838 5.805 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.540 6.608 -5.757 1.00 0.00 H new ATOM 1470 N GLU A 91 0.031 8.980 -3.428 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.642 10.263 -3.602 1.00 0.00 C ATOM 1472 C GLU A 91 -0.649 11.055 -2.298 1.00 0.00 C ATOM 1473 O GLU A 91 0.043 12.065 -2.170 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.077 10.051 -4.092 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.862 11.342 -4.263 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.236 11.279 -3.625 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.310 11.147 -2.386 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -5.239 11.361 -4.366 1.00 0.00 O ATOM 0 H GLU A 91 -0.465 8.319 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.092 10.834 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.052 9.523 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.602 9.408 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.299 12.166 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.969 11.560 -5.326 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.437 10.590 -1.333 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.535 11.255 -0.038 1.00 0.00 C ATOM 1487 C ASN A 92 -0.165 11.370 0.624 1.00 0.00 C ATOM 1488 O ASN A 92 0.073 12.275 1.423 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.495 10.494 0.877 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.708 11.197 2.204 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.033 10.718 3.242 1.00 0.00 O flip ATOM 1492 ND2 ASN A 92 -3.470 12.160 2.293 1.00 0.00 N flip ATOM 0 H ASN A 92 -2.017 9.756 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.921 12.261 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.455 10.375 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.104 9.493 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.968 12.494 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.603 12.624 3.192 1.00 0.00 H new ATOM 1499 N GLY A 93 0.731 10.448 0.288 1.00 0.00 N ATOM 1500 CA GLY A 93 2.064 10.465 0.861 1.00 0.00 C ATOM 1501 C GLY A 93 2.276 9.347 1.863 1.00 0.00 C ATOM 1502 O GLY A 93 3.097 9.468 2.773 1.00 0.00 O ATOM 0 H GLY A 93 0.558 9.689 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.801 10.378 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.234 11.424 1.349 1.00 0.00 H new ATOM 1506 N ARG A 94 1.535 8.256 1.696 1.00 0.00 N ATOM 1507 CA ARG A 94 1.647 7.112 2.592 1.00 0.00 C ATOM 1508 C ARG A 94 2.999 6.424 2.439 1.00 0.00 C ATOM 1509 O ARG A 94 3.471 5.756 3.358 1.00 0.00 O ATOM 1510 CB ARG A 94 0.518 6.115 2.322 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.856 6.630 2.720 1.00 0.00 C ATOM 1512 CD ARG A 94 -1.179 6.296 4.168 1.00 0.00 C ATOM 1513 NE ARG A 94 -2.125 7.244 4.750 1.00 0.00 N ATOM 1514 CZ ARG A 94 -1.782 8.439 5.228 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.516 8.837 5.196 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -2.707 9.239 5.740 1.00 0.00 N ATOM 0 H ARG A 94 0.851 8.141 0.948 1.00 0.00 H new ATOM 0 HA ARG A 94 1.564 7.477 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.510 5.866 1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.722 5.192 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.896 7.710 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.612 6.194 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.594 5.289 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.260 6.295 4.754 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.108 6.975 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.201 8.226 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.260 9.753 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.682 8.939 5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.444 10.154 6.106 1.00 0.00 H new ATOM 1530 N LEU A 95 3.623 6.593 1.275 1.00 0.00 N ATOM 1531 CA LEU A 95 4.924 5.987 1.012 1.00 0.00 C ATOM 1532 C LEU A 95 5.926 6.371 2.096 1.00 0.00 C ATOM 1533 O LEU A 95 5.660 7.253 2.912 1.00 0.00 O ATOM 1534 CB LEU A 95 5.446 6.414 -0.363 1.00 0.00 C ATOM 1535 CG LEU A 95 4.640 5.892 -1.555 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.331 6.251 -2.862 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.443 4.387 -1.450 1.00 0.00 C ATOM 0 H LEU A 95 3.249 7.143 0.502 1.00 0.00 H new ATOM 0 HA LEU A 95 4.802 4.904 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.464 7.503 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.477 6.074 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 95 3.659 6.367 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.745 5.872 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.419 7.335 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.325 5.804 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.868 4.035 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.414 3.893 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.905 4.154 -0.531 1.00 0.00 H new ATOM 1549 N THR A 96 7.070 5.690 2.109 1.00 0.00 N ATOM 1550 CA THR A 96 8.114 5.941 3.105 1.00 0.00 C ATOM 1551 C THR A 96 7.776 5.219 4.403 1.00 0.00 C ATOM 1552 O THR A 96 8.552 4.401 4.894 1.00 0.00 O ATOM 1553 CB THR A 96 8.287 7.441 3.362 1.00 0.00 C ATOM 1554 OG1 THR A 96 8.069 8.182 2.174 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.659 7.805 3.886 1.00 0.00 C ATOM 0 H THR A 96 7.300 4.956 1.438 1.00 0.00 H new ATOM 0 HA THR A 96 9.057 5.558 2.715 1.00 0.00 H new ATOM 0 HB THR A 96 7.548 7.690 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.182 9.138 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.713 8.882 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.837 7.288 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.416 7.507 3.161 1.00 0.00 H new ATOM 1563 N ASN A 97 6.596 5.515 4.940 1.00 0.00 N ATOM 1564 CA ASN A 97 6.130 4.881 6.166 1.00 0.00 C ATOM 1565 C ASN A 97 5.223 3.697 5.832 1.00 0.00 C ATOM 1566 O ASN A 97 4.401 3.281 6.649 1.00 0.00 O ATOM 1567 CB ASN A 97 5.380 5.897 7.030 1.00 0.00 C ATOM 1568 CG ASN A 97 4.956 5.323 8.368 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.650 4.486 8.947 1.00 0.00 O ATOM 1570 ND2 ASN A 97 3.810 5.772 8.866 1.00 0.00 N ATOM 0 H ASN A 97 5.945 6.192 4.543 1.00 0.00 H new ATOM 0 HA ASN A 97 6.991 4.515 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 97 6.016 6.766 7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.498 6.245 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.472 5.423 9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.267 6.466 8.352 1.00 0.00 H new ATOM 1577 N THR A 98 5.376 3.170 4.614 1.00 0.00 N ATOM 1578 CA THR A 98 4.573 2.040 4.142 1.00 0.00 C ATOM 1579 C THR A 98 4.357 0.980 5.231 1.00 0.00 C ATOM 1580 O THR A 98 3.223 0.571 5.477 1.00 0.00 O ATOM 1581 CB THR A 98 5.191 1.394 2.886 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.087 -0.019 2.939 1.00 0.00 O ATOM 1583 CG2 THR A 98 6.653 1.728 2.653 1.00 0.00 C ATOM 0 H THR A 98 6.054 3.511 3.933 1.00 0.00 H new ATOM 0 HA THR A 98 3.597 2.448 3.880 1.00 0.00 H new ATOM 0 HB THR A 98 4.614 1.815 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.498 -0.331 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.000 1.230 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.766 2.806 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.244 1.389 3.504 1.00 0.00 H new ATOM 1591 N PRO A 99 5.431 0.510 5.898 1.00 0.00 N ATOM 1592 CA PRO A 99 5.318 -0.507 6.947 1.00 0.00 C ATOM 1593 C PRO A 99 4.210 -0.189 7.945 1.00 0.00 C ATOM 1594 O PRO A 99 3.633 -1.092 8.554 1.00 0.00 O ATOM 1595 CB PRO A 99 6.692 -0.492 7.639 1.00 0.00 C ATOM 1596 CG PRO A 99 7.442 0.654 7.041 1.00 0.00 C ATOM 1597 CD PRO A 99 6.828 0.912 5.696 1.00 0.00 C ATOM 0 HA PRO A 99 5.058 -1.481 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.585 -0.368 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.221 -1.431 7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.371 1.537 7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.501 0.416 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.910 1.960 5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.309 0.327 4.912 1.00 0.00 H new ATOM 1605 N ALA A 100 3.911 1.094 8.103 1.00 0.00 N ATOM 1606 CA ALA A 100 2.864 1.524 9.020 1.00 0.00 C ATOM 1607 C ALA A 100 1.486 1.300 8.410 1.00 0.00 C ATOM 1608 O ALA A 100 0.539 0.936 9.106 1.00 0.00 O ATOM 1609 CB ALA A 100 3.051 2.988 9.388 1.00 0.00 C ATOM 0 H ALA A 100 4.378 1.854 7.609 1.00 0.00 H new ATOM 0 HA ALA A 100 2.936 0.925 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.261 3.295 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.020 3.122 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.006 3.599 8.486 1.00 0.00 H new ATOM 1615 N VAL A 101 1.385 1.515 7.102 1.00 0.00 N ATOM 1616 CA VAL A 101 0.127 1.330 6.392 1.00 0.00 C ATOM 1617 C VAL A 101 -0.173 -0.151 6.198 1.00 0.00 C ATOM 1618 O VAL A 101 -1.333 -0.563 6.165 1.00 0.00 O ATOM 1619 CB VAL A 101 0.148 2.024 5.018 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.232 1.988 4.380 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.645 3.455 5.150 1.00 0.00 C ATOM 0 H VAL A 101 2.161 1.818 6.513 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.654 1.783 7.003 1.00 0.00 H new ATOM 0 HB VAL A 101 0.837 1.483 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.197 2.483 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.545 0.952 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.944 2.503 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.653 3.929 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.016 4.010 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.655 3.453 5.560 1.00 0.00 H new ATOM 1631 N ILE A 102 0.884 -0.951 6.073 1.00 0.00 N ATOM 1632 CA ILE A 102 0.736 -2.388 5.885 1.00 0.00 C ATOM 1633 C ILE A 102 0.361 -3.070 7.195 1.00 0.00 C ATOM 1634 O ILE A 102 -0.391 -4.045 7.206 1.00 0.00 O ATOM 1635 CB ILE A 102 2.032 -3.021 5.342 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.542 -2.237 4.132 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.795 -4.478 4.975 1.00 0.00 C ATOM 1638 CD1 ILE A 102 4.001 -2.487 3.822 1.00 0.00 C ATOM 0 H ILE A 102 1.851 -0.626 6.099 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.061 -2.535 5.156 1.00 0.00 H new ATOM 0 HB ILE A 102 2.793 -2.981 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.943 -2.500 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.394 -1.172 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.719 -4.912 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.474 -5.028 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.022 -4.539 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.294 -1.899 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.610 -2.197 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.152 -3.546 3.611 1.00 0.00 H new ATOM 1650 N SER A 103 0.886 -2.549 8.300 1.00 0.00 N ATOM 1651 CA SER A 103 0.604 -3.104 9.618 1.00 0.00 C ATOM 1652 C SER A 103 -0.768 -2.656 10.111 1.00 0.00 C ATOM 1653 O SER A 103 -1.420 -3.355 10.886 1.00 0.00 O ATOM 1654 CB SER A 103 1.682 -2.678 10.616 1.00 0.00 C ATOM 1655 OG SER A 103 1.650 -3.488 11.778 1.00 0.00 O ATOM 0 H SER A 103 1.510 -1.742 8.308 1.00 0.00 H new ATOM 0 HA SER A 103 0.606 -4.191 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.664 -2.748 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.534 -1.634 10.892 1.00 0.00 H new ATOM 0 HG SER A 103 2.350 -3.196 12.399 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.199 -1.483 9.656 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.492 -0.938 10.048 1.00 0.00 C ATOM 1663 C ALA A 104 -3.637 -1.699 9.388 1.00 0.00 C ATOM 1664 O ALA A 104 -4.750 -1.744 9.915 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.565 0.540 9.694 1.00 0.00 C ATOM 0 H ALA A 104 -0.670 -0.892 9.015 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.594 -1.052 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.535 0.938 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.776 1.079 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.436 0.663 8.619 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.361 -2.293 8.231 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.372 -3.048 7.500 1.00 0.00 C ATOM 1673 C PHE A 105 -4.651 -4.386 8.170 1.00 0.00 C ATOM 1674 O PHE A 105 -5.802 -4.806 8.279 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.925 -3.274 6.053 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.922 -4.033 5.216 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.277 -3.992 5.510 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.504 -4.786 4.130 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.183 -4.681 4.737 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.411 -5.476 3.359 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.750 -5.423 3.660 1.00 0.00 C ATOM 0 H PHE A 105 -2.446 -2.266 7.780 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.292 -2.464 7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.736 -2.307 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.980 -3.817 6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.624 -3.414 6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.453 -4.832 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.236 -4.640 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.070 -6.060 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.462 -5.962 3.053 1.00 0.00 H new ATOM 1691 N SER A 106 -3.594 -5.056 8.613 1.00 0.00 N ATOM 1692 CA SER A 106 -3.734 -6.351 9.268 1.00 0.00 C ATOM 1693 C SER A 106 -4.672 -6.258 10.468 1.00 0.00 C ATOM 1694 O SER A 106 -5.383 -7.210 10.786 1.00 0.00 O ATOM 1695 CB SER A 106 -2.366 -6.874 9.708 1.00 0.00 C ATOM 1696 OG SER A 106 -2.494 -8.068 10.460 1.00 0.00 O ATOM 0 H SER A 106 -2.633 -4.725 8.531 1.00 0.00 H new ATOM 0 HA SER A 106 -4.166 -7.048 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.744 -7.057 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.859 -6.117 10.306 1.00 0.00 H new ATOM 0 HG SER A 106 -1.605 -8.383 10.728 1.00 0.00 H new ATOM 1702 N THR A 107 -4.672 -5.103 11.126 1.00 0.00 N ATOM 1703 CA THR A 107 -5.531 -4.891 12.285 1.00 0.00 C ATOM 1704 C THR A 107 -6.993 -4.841 11.861 1.00 0.00 C ATOM 1705 O THR A 107 -7.807 -5.646 12.314 1.00 0.00 O ATOM 1706 CB THR A 107 -5.148 -3.598 13.007 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.773 -3.601 13.344 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.932 -3.368 14.280 1.00 0.00 C ATOM 0 H THR A 107 -4.090 -4.303 10.878 1.00 0.00 H new ATOM 0 HA THR A 107 -5.394 -5.727 12.971 1.00 0.00 H new ATOM 0 HB THR A 107 -5.382 -2.796 12.306 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.547 -2.765 13.803 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.611 -2.434 14.741 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.995 -3.311 14.047 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.756 -4.193 14.970 1.00 0.00 H new ATOM 1716 N MET A 108 -7.318 -3.905 10.978 1.00 0.00 N ATOM 1717 CA MET A 108 -8.680 -3.774 10.484 1.00 0.00 C ATOM 1718 C MET A 108 -9.061 -5.008 9.674 1.00 0.00 C ATOM 1719 O MET A 108 -10.235 -5.364 9.572 1.00 0.00 O ATOM 1720 CB MET A 108 -8.814 -2.519 9.623 1.00 0.00 C ATOM 1721 CG MET A 108 -8.518 -1.232 10.375 1.00 0.00 C ATOM 1722 SD MET A 108 -9.539 -1.036 11.847 1.00 0.00 S ATOM 1723 CE MET A 108 -9.138 0.644 12.318 1.00 0.00 C ATOM 0 H MET A 108 -6.659 -3.229 10.592 1.00 0.00 H new ATOM 0 HA MET A 108 -9.355 -3.686 11.335 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.136 -2.598 8.773 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.826 -2.471 9.221 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.467 -1.218 10.662 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.678 -0.383 9.711 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.694 0.913 13.216 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.069 0.721 12.516 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.407 1.323 11.509 1.00 0.00 H new ATOM 1733 N MET A 109 -8.049 -5.657 9.107 1.00 0.00 N ATOM 1734 CA MET A 109 -8.251 -6.857 8.308 1.00 0.00 C ATOM 1735 C MET A 109 -8.548 -8.064 9.199 1.00 0.00 C ATOM 1736 O MET A 109 -9.037 -9.084 8.722 1.00 0.00 O ATOM 1737 CB MET A 109 -7.011 -7.125 7.448 1.00 0.00 C ATOM 1738 CG MET A 109 -6.969 -8.516 6.831 1.00 0.00 C ATOM 1739 SD MET A 109 -6.000 -9.680 7.810 1.00 0.00 S ATOM 1740 CE MET A 109 -7.109 -11.086 7.858 1.00 0.00 C ATOM 0 H MET A 109 -7.074 -5.368 9.188 1.00 0.00 H new ATOM 0 HA MET A 109 -9.111 -6.698 7.657 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.969 -6.384 6.650 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.120 -6.984 8.060 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.986 -8.894 6.726 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.548 -8.452 5.828 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.584 -11.142 8.838 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.874 -10.972 7.090 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.545 -12.001 7.676 1.00 0.00 H new ATOM 1750 N SER A 110 -8.250 -7.945 10.493 1.00 0.00 N ATOM 1751 CA SER A 110 -8.497 -9.035 11.430 1.00 0.00 C ATOM 1752 C SER A 110 -9.735 -8.752 12.268 1.00 0.00 C ATOM 1753 O SER A 110 -10.467 -9.667 12.643 1.00 0.00 O ATOM 1754 CB SER A 110 -7.284 -9.248 12.337 1.00 0.00 C ATOM 1755 OG SER A 110 -7.162 -10.607 12.718 1.00 0.00 O ATOM 0 H SER A 110 -7.840 -7.110 10.912 1.00 0.00 H new ATOM 0 HA SER A 110 -8.668 -9.945 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.379 -8.930 11.819 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.378 -8.625 13.227 1.00 0.00 H new ATOM 0 HG SER A 110 -6.378 -10.716 13.296 1.00 0.00 H new ATOM 1761 N VAL A 111 -9.974 -7.476 12.545 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.135 -7.074 13.324 1.00 0.00 C ATOM 1763 C VAL A 111 -12.425 -7.340 12.550 1.00 0.00 C ATOM 1764 O VAL A 111 -13.516 -7.306 13.117 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.073 -5.582 13.702 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -12.217 -5.218 14.637 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -9.730 -5.246 14.336 1.00 0.00 C ATOM 0 H VAL A 111 -9.380 -6.704 12.242 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.128 -7.668 14.238 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.177 -4.992 12.791 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.156 -4.160 14.892 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.168 -5.418 14.143 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.148 -5.815 15.546 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.705 -4.188 14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.593 -5.844 15.237 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.929 -5.465 13.630 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.292 -7.606 11.250 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.439 -7.878 10.405 1.00 0.00 C ATOM 1779 C HIS A 112 -14.009 -9.264 10.689 1.00 0.00 C ATOM 1780 O HIS A 112 -15.202 -9.507 10.499 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.031 -7.757 8.938 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.391 -8.987 8.373 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.456 -9.737 9.052 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.569 -9.603 7.185 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.090 -10.762 8.304 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.752 -10.704 7.168 1.00 0.00 N ATOM 0 H HIS A 112 -11.395 -7.637 10.765 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.218 -7.147 10.623 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.914 -7.517 8.346 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.340 -6.921 8.833 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.233 -9.287 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.370 -11.519 8.578 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.671 -11.370 6.400 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.149 -10.175 11.139 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.571 -11.535 11.442 1.00 0.00 C ATOM 1797 C ARG A 113 -14.545 -11.555 12.617 1.00 0.00 C ATOM 1798 O ARG A 113 -15.410 -12.426 12.705 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.357 -12.412 11.755 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.511 -13.852 11.290 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.009 -14.034 9.867 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.804 -15.442 9.534 1.00 0.00 N ATOM 1803 CZ ARG A 113 -12.788 -16.278 9.211 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -14.045 -15.853 9.175 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -12.514 -17.543 8.923 1.00 0.00 N ATOM 0 H ARG A 113 -12.158 -9.994 11.301 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.081 -11.933 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.475 -11.979 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.180 -12.403 12.831 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.959 -14.513 11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.560 -14.144 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.726 -13.598 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.072 -13.492 9.741 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.851 -15.805 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.261 -14.881 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.795 -16.499 8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.550 -17.875 8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.267 -18.184 8.675 1.00 0.00 H new