USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 THR OG1 : rot 102:sc= 1.15 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.61 F(o=-3.8!,f=1.8) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -121:sc= -0.0927 (180deg=-3.23!) USER MOD Set 2.2: A 68 SER OG : rot 161:sc= 0.324 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0151) USER MOD Set 3.2: A 77 LYS NZ :NH3+ -158:sc= -1.01 (180deg=-1.79!) USER MOD Set 4.1: A 23 TYR OH : rot 155:sc= -0.889 USER MOD Set 4.2: A 112 HIS :FLIP no HE2:sc= -14.5! C(o=-17!,f=-15!) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 107 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 20 THR OG1 : rot 66:sc= -0.3 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.205 USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= -0.141 (180deg=-0.614) USER MOD Single : A 29 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.7!) USER MOD Single : A 30 ASN : amide:sc= -3.5! C(o=-3.5!,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.128 (180deg=-0.632) USER MOD Single : A 34 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.7) 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 -161:sc= -7.19! (180deg=-8.12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.5 X(o=-3.5,f=-3.6!) 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= 0.00607 USER MOD Single : A 72 MET CE :methyl -117:sc= -5.53! (180deg=-9.42!) USER MOD Single : A 73 THR OG1 : rot 58:sc= -4.91! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 81:sc= 1.1 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.54! USER MOD Single : A 83 SER OG : rot -50:sc= 1.17 USER MOD Single : A 84 ASN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 87 ASN : amide:sc= -5.44! C(o=-5.4!,f=-9.1!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -150:sc= -0.932 USER MOD Single : A 103 SER OG : rot -105:sc= 0.368 USER MOD Single : A 106 SER OG : rot 180:sc=0.000431 USER MOD Single : A 108 MET CE :methyl 151:sc= -1.34 (180deg=-3.18!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.619 4.208 14.499 1.00 0.00 N ATOM 194 CA TYR A 12 -2.371 4.966 14.639 1.00 0.00 C ATOM 195 C TYR A 12 -1.762 5.281 13.274 1.00 0.00 C ATOM 196 O TYR A 12 -0.956 4.511 12.751 1.00 0.00 O ATOM 197 CB TYR A 12 -1.359 4.188 15.497 1.00 0.00 C ATOM 198 CG TYR A 12 -1.630 2.702 15.540 1.00 0.00 C ATOM 199 CD1 TYR A 12 -2.744 2.208 16.203 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.799 1.800 14.889 1.00 0.00 C ATOM 201 CE1 TYR A 12 -3.026 0.861 16.218 1.00 0.00 C ATOM 202 CE2 TYR A 12 -1.070 0.446 14.905 1.00 0.00 C ATOM 203 CZ TYR A 12 -2.186 -0.019 15.570 1.00 0.00 C ATOM 204 OH TYR A 12 -2.464 -1.367 15.583 1.00 0.00 O ATOM 0 HA TYR A 12 -2.608 5.907 15.136 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.356 4.356 15.105 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.375 4.583 16.513 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.402 2.893 16.717 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.072 2.162 14.363 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.901 0.495 16.735 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.412 -0.245 14.400 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.775 -1.848 15.079 1.00 0.00 H new ATOM 214 N GLY A 13 -2.155 6.415 12.703 1.00 0.00 N ATOM 215 CA GLY A 13 -1.641 6.810 11.405 1.00 0.00 C ATOM 216 C GLY A 13 -2.737 6.965 10.371 1.00 0.00 C ATOM 217 O GLY A 13 -3.375 5.987 9.980 1.00 0.00 O ATOM 0 H GLY A 13 -2.821 7.068 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.102 7.752 11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.923 6.066 11.060 1.00 0.00 H new ATOM 221 N ILE A 14 -2.960 8.198 9.927 1.00 0.00 N ATOM 222 CA ILE A 14 -3.988 8.481 8.932 1.00 0.00 C ATOM 223 C ILE A 14 -3.787 7.633 7.678 1.00 0.00 C ATOM 224 O ILE A 14 -4.749 7.141 7.089 1.00 0.00 O ATOM 225 CB ILE A 14 -4.001 9.978 8.550 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.279 10.326 7.777 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.760 10.345 7.746 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.313 9.787 6.362 1.00 0.00 C ATOM 0 H ILE A 14 -2.442 9.018 10.241 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.949 8.226 9.380 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.989 10.565 9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.138 9.937 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.387 11.410 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.793 11.404 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.869 10.143 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.729 9.751 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.249 10.077 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.476 10.196 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.239 8.700 6.385 1.00 0.00 H new ATOM 240 N GLU A 15 -2.530 7.464 7.279 1.00 0.00 N ATOM 241 CA GLU A 15 -2.202 6.672 6.098 1.00 0.00 C ATOM 242 C GLU A 15 -2.725 5.246 6.238 1.00 0.00 C ATOM 243 O GLU A 15 -3.133 4.626 5.259 1.00 0.00 O ATOM 244 CB GLU A 15 -0.689 6.653 5.868 1.00 0.00 C ATOM 245 CG GLU A 15 0.121 6.483 7.144 1.00 0.00 C ATOM 246 CD GLU A 15 1.550 6.055 6.875 1.00 0.00 C ATOM 247 OE1 GLU A 15 2.222 6.711 6.051 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.998 5.063 7.489 1.00 0.00 O ATOM 0 H GLU A 15 -1.722 7.865 7.756 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.684 7.136 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.445 5.842 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.393 7.582 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.125 7.423 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.362 5.742 7.781 1.00 0.00 H new ATOM 255 N GLY A 16 -2.714 4.733 7.464 1.00 0.00 N ATOM 256 CA GLY A 16 -3.197 3.385 7.704 1.00 0.00 C ATOM 257 C GLY A 16 -4.638 3.209 7.275 1.00 0.00 C ATOM 258 O GLY A 16 -5.004 2.175 6.718 1.00 0.00 O ATOM 0 H GLY A 16 -2.381 5.224 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.570 2.675 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.104 3.151 8.765 1.00 0.00 H new ATOM 262 N ARG A 17 -5.456 4.224 7.528 1.00 0.00 N ATOM 263 CA ARG A 17 -6.864 4.178 7.157 1.00 0.00 C ATOM 264 C ARG A 17 -7.024 4.063 5.646 1.00 0.00 C ATOM 265 O ARG A 17 -8.068 3.633 5.162 1.00 0.00 O ATOM 266 CB ARG A 17 -7.593 5.422 7.669 1.00 0.00 C ATOM 267 CG ARG A 17 -9.024 5.154 8.104 1.00 0.00 C ATOM 268 CD ARG A 17 -9.856 6.426 8.097 1.00 0.00 C ATOM 269 NE ARG A 17 -11.125 6.254 8.800 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.230 6.127 10.121 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.145 6.153 10.885 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.423 5.974 10.679 1.00 0.00 N ATOM 0 H ARG A 17 -5.168 5.088 7.988 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.306 3.295 7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.038 5.837 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.596 6.179 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.476 4.419 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.026 4.722 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.290 7.232 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.050 6.727 7.067 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.981 6.230 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.225 6.271 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.231 6.055 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.260 5.954 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.504 5.877 11.691 1.00 0.00 H new ATOM 286 N TYR A 18 -5.986 4.434 4.901 1.00 0.00 N ATOM 287 CA TYR A 18 -6.035 4.346 3.447 1.00 0.00 C ATOM 288 C TYR A 18 -6.230 2.899 3.024 1.00 0.00 C ATOM 289 O TYR A 18 -7.189 2.561 2.332 1.00 0.00 O ATOM 290 CB TYR A 18 -4.745 4.884 2.818 1.00 0.00 C ATOM 291 CG TYR A 18 -4.510 6.366 3.016 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.521 7.211 3.463 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.266 6.919 2.745 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.294 8.563 3.634 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.031 8.268 2.915 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.047 9.087 3.358 1.00 0.00 C ATOM 297 OH TYR A 18 -3.818 10.433 3.528 1.00 0.00 O ATOM 0 H TYR A 18 -5.109 4.795 5.277 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.872 4.952 3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.899 4.338 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.764 4.674 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.498 6.804 3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.467 6.282 2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.088 9.207 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.056 8.680 2.702 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.890 10.639 3.291 1.00 0.00 H new ATOM 307 N ALA A 19 -5.307 2.049 3.456 1.00 0.00 N ATOM 308 CA ALA A 19 -5.365 0.633 3.138 1.00 0.00 C ATOM 309 C ALA A 19 -6.606 -0.003 3.738 1.00 0.00 C ATOM 310 O ALA A 19 -7.230 -0.864 3.122 1.00 0.00 O ATOM 311 CB ALA A 19 -4.112 -0.073 3.640 1.00 0.00 C ATOM 0 H ALA A 19 -4.508 2.319 4.029 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.417 0.527 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.169 -1.134 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.233 0.363 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.036 0.046 4.721 1.00 0.00 H new ATOM 317 N THR A 20 -6.961 0.424 4.944 1.00 0.00 N ATOM 318 CA THR A 20 -8.130 -0.117 5.615 1.00 0.00 C ATOM 319 C THR A 20 -9.417 0.403 4.982 1.00 0.00 C ATOM 320 O THR A 20 -10.427 -0.298 4.947 1.00 0.00 O ATOM 321 CB THR A 20 -8.103 0.210 7.107 1.00 0.00 C ATOM 322 OG1 THR A 20 -6.833 0.706 7.492 1.00 0.00 O ATOM 323 CG2 THR A 20 -8.412 -0.990 7.973 1.00 0.00 C ATOM 0 H THR A 20 -6.459 1.138 5.472 1.00 0.00 H new ATOM 0 HA THR A 20 -8.105 -1.200 5.498 1.00 0.00 H new ATOM 0 HB THR A 20 -8.876 0.964 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.677 1.573 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.379 -0.699 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.406 -1.366 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.674 -1.771 7.789 1.00 0.00 H new ATOM 331 N ALA A 21 -9.374 1.631 4.473 1.00 0.00 N ATOM 332 CA ALA A 21 -10.539 2.226 3.832 1.00 0.00 C ATOM 333 C ALA A 21 -10.626 1.816 2.367 1.00 0.00 C ATOM 334 O ALA A 21 -11.575 2.169 1.668 1.00 0.00 O ATOM 335 CB ALA A 21 -10.506 3.742 3.962 1.00 0.00 C ATOM 0 H ALA A 21 -8.548 2.230 4.492 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.429 1.855 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.384 4.168 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.505 4.017 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.605 4.129 3.485 1.00 0.00 H new ATOM 341 N LEU A 22 -9.642 1.046 1.914 1.00 0.00 N ATOM 342 CA LEU A 22 -9.621 0.561 0.541 1.00 0.00 C ATOM 343 C LEU A 22 -9.917 -0.921 0.540 1.00 0.00 C ATOM 344 O LEU A 22 -10.538 -1.447 -0.384 1.00 0.00 O ATOM 345 CB LEU A 22 -8.269 0.843 -0.115 1.00 0.00 C ATOM 346 CG LEU A 22 -8.078 0.218 -1.499 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.383 1.194 -2.437 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.288 -1.077 -1.393 1.00 0.00 C ATOM 0 H LEU A 22 -8.848 0.745 2.479 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.382 1.084 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.141 1.922 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.480 0.479 0.543 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.061 -0.011 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.257 0.731 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.988 2.095 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.406 1.456 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.161 -1.508 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.309 -0.872 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.826 -1.781 -0.758 1.00 0.00 H new ATOM 360 N TYR A 23 -9.498 -1.583 1.604 1.00 0.00 N ATOM 361 CA TYR A 23 -9.743 -2.990 1.759 1.00 0.00 C ATOM 362 C TYR A 23 -11.205 -3.215 2.130 1.00 0.00 C ATOM 363 O TYR A 23 -11.724 -4.316 1.976 1.00 0.00 O ATOM 364 CB TYR A 23 -8.803 -3.561 2.815 1.00 0.00 C ATOM 365 CG TYR A 23 -9.501 -4.097 4.036 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.039 -5.364 4.028 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.623 -3.335 5.184 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.683 -5.875 5.129 1.00 0.00 C ATOM 369 CE2 TYR A 23 -10.265 -3.826 6.295 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.796 -5.102 6.268 1.00 0.00 C ATOM 371 OH TYR A 23 -11.441 -5.600 7.376 1.00 0.00 O ATOM 0 H TYR A 23 -8.983 -1.157 2.374 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.548 -3.509 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.214 -4.361 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.104 -2.783 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.953 -5.969 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.207 -2.339 5.207 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.097 -6.872 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.354 -3.219 7.184 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.110 -5.145 8.179 1.00 0.00 H new ATOM 381 N SER A 24 -11.878 -2.156 2.607 1.00 0.00 N ATOM 382 CA SER A 24 -13.288 -2.258 2.969 1.00 0.00 C ATOM 383 C SER A 24 -14.044 -2.949 1.843 1.00 0.00 C ATOM 384 O SER A 24 -14.872 -3.828 2.076 1.00 0.00 O ATOM 385 CB SER A 24 -13.881 -0.873 3.235 1.00 0.00 C ATOM 386 OG SER A 24 -13.323 0.096 2.363 1.00 0.00 O ATOM 0 H SER A 24 -11.469 -1.232 2.747 1.00 0.00 H new ATOM 0 HA SER A 24 -13.380 -2.844 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.963 -0.905 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.694 -0.586 4.270 1.00 0.00 H new ATOM 0 HG SER A 24 -13.719 0.972 2.552 1.00 0.00 H new ATOM 392 N ALA A 25 -13.706 -2.569 0.615 1.00 0.00 N ATOM 393 CA ALA A 25 -14.302 -3.178 -0.560 1.00 0.00 C ATOM 394 C ALA A 25 -13.675 -4.545 -0.768 1.00 0.00 C ATOM 395 O ALA A 25 -14.342 -5.499 -1.170 1.00 0.00 O ATOM 396 CB ALA A 25 -14.102 -2.298 -1.785 1.00 0.00 C ATOM 0 H ALA A 25 -13.021 -1.841 0.412 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.376 -3.288 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.557 -2.774 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.570 -1.328 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.036 -2.160 -1.964 1.00 0.00 H new ATOM 402 N ALA A 26 -12.383 -4.628 -0.463 1.00 0.00 N ATOM 403 CA ALA A 26 -11.647 -5.878 -0.586 1.00 0.00 C ATOM 404 C ALA A 26 -12.232 -6.946 0.334 1.00 0.00 C ATOM 405 O ALA A 26 -12.232 -8.129 0.001 1.00 0.00 O ATOM 406 CB ALA A 26 -10.178 -5.659 -0.262 1.00 0.00 C ATOM 0 H ALA A 26 -11.825 -3.842 -0.129 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.736 -6.224 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.640 -6.602 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.758 -4.929 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.082 -5.289 0.759 1.00 0.00 H new ATOM 412 N SER A 27 -12.732 -6.520 1.492 1.00 0.00 N ATOM 413 CA SER A 27 -13.323 -7.440 2.458 1.00 0.00 C ATOM 414 C SER A 27 -14.527 -8.147 1.849 1.00 0.00 C ATOM 415 O SER A 27 -14.626 -9.374 1.887 1.00 0.00 O ATOM 416 CB SER A 27 -13.749 -6.683 3.720 1.00 0.00 C ATOM 417 OG SER A 27 -14.759 -7.386 4.425 1.00 0.00 O ATOM 0 H SER A 27 -12.739 -5.542 1.783 1.00 0.00 H new ATOM 0 HA SER A 27 -12.574 -8.185 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.885 -6.536 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.115 -5.693 3.447 1.00 0.00 H new ATOM 0 HG SER A 27 -15.011 -6.881 5.226 1.00 0.00 H new ATOM 423 N LYS A 28 -15.440 -7.362 1.278 1.00 0.00 N ATOM 424 CA LYS A 28 -16.637 -7.910 0.651 1.00 0.00 C ATOM 425 C LYS A 28 -16.265 -8.999 -0.347 1.00 0.00 C ATOM 426 O LYS A 28 -16.966 -10.001 -0.485 1.00 0.00 O ATOM 427 CB LYS A 28 -17.426 -6.803 -0.052 1.00 0.00 C ATOM 428 CG LYS A 28 -18.925 -7.053 -0.090 1.00 0.00 C ATOM 429 CD LYS A 28 -19.705 -5.751 -0.148 1.00 0.00 C ATOM 430 CE LYS A 28 -20.990 -5.835 0.660 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.723 -6.059 2.107 1.00 0.00 N ATOM 0 H LYS A 28 -15.371 -6.345 1.238 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.262 -8.347 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.237 -5.856 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.058 -6.698 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.171 -7.665 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.223 -7.618 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.087 -4.938 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.941 -5.513 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.559 -4.914 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.608 -6.646 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.507 -5.670 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.638 -7.079 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.837 -5.584 2.374 1.00 0.00 H new ATOM 445 N GLN A 29 -15.145 -8.797 -1.033 1.00 0.00 N ATOM 446 CA GLN A 29 -14.662 -9.762 -2.008 1.00 0.00 C ATOM 447 C GLN A 29 -13.862 -10.857 -1.312 1.00 0.00 C ATOM 448 O GLN A 29 -13.919 -12.022 -1.706 1.00 0.00 O ATOM 449 CB GLN A 29 -13.797 -9.070 -3.063 1.00 0.00 C ATOM 450 CG GLN A 29 -14.585 -8.173 -4.003 1.00 0.00 C ATOM 451 CD GLN A 29 -13.867 -7.930 -5.315 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.075 -8.758 -5.766 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.141 -6.789 -5.937 1.00 0.00 N ATOM 0 H GLN A 29 -14.555 -7.971 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.522 -10.213 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.034 -8.475 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.277 -9.828 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.556 -8.626 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.774 -7.217 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.804 -6.131 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.688 -6.571 -6.825 1.00 0.00 H new ATOM 462 N ASN A 30 -13.110 -10.461 -0.280 1.00 0.00 N ATOM 463 CA ASN A 30 -12.272 -11.378 0.495 1.00 0.00 C ATOM 464 C ASN A 30 -10.875 -11.419 -0.093 1.00 0.00 C ATOM 465 O ASN A 30 -10.197 -12.446 -0.057 1.00 0.00 O ATOM 466 CB ASN A 30 -12.866 -12.791 0.553 1.00 0.00 C ATOM 467 CG ASN A 30 -14.345 -12.788 0.886 1.00 0.00 C ATOM 468 OD1 ASN A 30 -14.945 -11.733 1.092 1.00 0.00 O ATOM 469 ND2 ASN A 30 -14.943 -13.973 0.941 1.00 0.00 N ATOM 0 H ASN A 30 -13.066 -9.494 0.041 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.228 -11.004 1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.714 -13.285 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.330 -13.376 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.937 -14.033 1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.408 -14.823 0.763 1.00 0.00 H new ATOM 476 N LYS A 31 -10.453 -10.284 -0.635 1.00 0.00 N ATOM 477 CA LYS A 31 -9.137 -10.168 -1.236 1.00 0.00 C ATOM 478 C LYS A 31 -8.091 -9.779 -0.196 1.00 0.00 C ATOM 479 O LYS A 31 -6.951 -9.488 -0.546 1.00 0.00 O ATOM 480 CB LYS A 31 -9.161 -9.139 -2.367 1.00 0.00 C ATOM 481 CG LYS A 31 -9.647 -9.703 -3.692 1.00 0.00 C ATOM 482 CD LYS A 31 -8.512 -10.341 -4.476 1.00 0.00 C ATOM 483 CE LYS A 31 -8.977 -10.816 -5.843 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.751 -9.767 -6.562 1.00 0.00 N ATOM 0 H LYS A 31 -11.008 -9.429 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.865 -11.141 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.804 -8.308 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.158 -8.734 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.426 -10.444 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.097 -8.906 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.702 -9.622 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.109 -11.184 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.112 -11.103 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.594 -11.707 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.633 -9.890 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.758 -9.850 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.403 -8.827 -6.284 1.00 0.00 H new ATOM 498 N LEU A 32 -8.475 -9.782 1.085 1.00 0.00 N ATOM 499 CA LEU A 32 -7.555 -9.438 2.160 1.00 0.00 C ATOM 500 C LEU A 32 -6.203 -10.113 1.963 1.00 0.00 C ATOM 501 O LEU A 32 -5.173 -9.583 2.367 1.00 0.00 O ATOM 502 CB LEU A 32 -8.176 -9.842 3.492 1.00 0.00 C ATOM 503 CG LEU A 32 -9.178 -8.831 4.045 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.435 -7.742 4.802 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.022 -8.236 2.924 1.00 0.00 C ATOM 0 H LEU A 32 -9.417 -10.019 1.396 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.382 -8.362 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.675 -10.803 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.380 -9.986 4.223 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.855 -9.340 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.150 -7.020 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.877 -8.187 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.744 -7.236 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.728 -7.519 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.373 -7.731 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.569 -9.032 2.419 1.00 0.00 H new ATOM 517 N GLU A 33 -6.214 -11.270 1.315 1.00 0.00 N ATOM 518 CA GLU A 33 -4.980 -11.995 1.040 1.00 0.00 C ATOM 519 C GLU A 33 -4.243 -11.338 -0.122 1.00 0.00 C ATOM 520 O GLU A 33 -3.014 -11.288 -0.150 1.00 0.00 O ATOM 521 CB GLU A 33 -5.276 -13.461 0.718 1.00 0.00 C ATOM 522 CG GLU A 33 -4.041 -14.347 0.729 1.00 0.00 C ATOM 523 CD GLU A 33 -3.913 -15.151 2.008 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.856 -15.904 2.334 1.00 0.00 O ATOM 525 OE2 GLU A 33 -2.870 -15.029 2.684 1.00 0.00 O ATOM 0 H GLU A 33 -7.059 -11.725 0.971 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.349 -11.961 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.995 -13.845 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.747 -13.521 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.079 -15.028 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.153 -13.728 0.603 1.00 0.00 H new ATOM 532 N GLN A 34 -5.015 -10.816 -1.070 1.00 0.00 N ATOM 533 CA GLN A 34 -4.463 -10.134 -2.234 1.00 0.00 C ATOM 534 C GLN A 34 -4.184 -8.665 -1.923 1.00 0.00 C ATOM 535 O GLN A 34 -3.524 -7.974 -2.697 1.00 0.00 O ATOM 536 CB GLN A 34 -5.426 -10.244 -3.418 1.00 0.00 C ATOM 537 CG GLN A 34 -4.871 -9.670 -4.711 1.00 0.00 C ATOM 538 CD GLN A 34 -3.666 -10.435 -5.220 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.420 -11.570 -4.815 1.00 0.00 O ATOM 540 NE2 GLN A 34 -2.905 -9.813 -6.115 1.00 0.00 N ATOM 0 H GLN A 34 -6.034 -10.854 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.521 -10.616 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.677 -11.293 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.353 -9.728 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.651 -9.680 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.594 -8.628 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.146 -8.871 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.080 -10.278 -6.494 1.00 0.00 H new ATOM 549 N VAL A 35 -4.690 -8.194 -0.783 1.00 0.00 N ATOM 550 CA VAL A 35 -4.490 -6.809 -0.371 1.00 0.00 C ATOM 551 C VAL A 35 -3.493 -6.728 0.782 1.00 0.00 C ATOM 552 O VAL A 35 -2.694 -5.795 0.863 1.00 0.00 O ATOM 553 CB VAL A 35 -5.810 -6.137 0.077 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.785 -4.655 -0.257 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.035 -6.810 -0.544 1.00 0.00 C ATOM 0 H VAL A 35 -5.240 -8.752 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.105 -6.280 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.891 -6.256 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.719 -4.194 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.950 -4.180 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.667 -4.526 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.939 -6.306 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.973 -6.747 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.067 -7.857 -0.242 1.00 0.00 H new ATOM 565 N GLU A 36 -3.542 -7.718 1.670 1.00 0.00 N ATOM 566 CA GLU A 36 -2.640 -7.766 2.815 1.00 0.00 C ATOM 567 C GLU A 36 -1.235 -8.102 2.348 1.00 0.00 C ATOM 568 O GLU A 36 -0.269 -7.432 2.713 1.00 0.00 O ATOM 569 CB GLU A 36 -3.113 -8.800 3.839 1.00 0.00 C ATOM 570 CG GLU A 36 -2.238 -8.871 5.080 1.00 0.00 C ATOM 571 CD GLU A 36 -1.068 -9.823 4.915 1.00 0.00 C ATOM 572 OE1 GLU A 36 -1.311 -11.030 4.707 1.00 0.00 O ATOM 573 OE2 GLU A 36 0.089 -9.359 4.994 1.00 0.00 O ATOM 0 H GLU A 36 -4.198 -8.498 1.618 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.638 -6.787 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.134 -8.563 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.139 -9.782 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.861 -7.875 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.843 -9.189 5.929 1.00 0.00 H new ATOM 580 N LYS A 37 -1.134 -9.124 1.507 1.00 0.00 N ATOM 581 CA LYS A 37 0.149 -9.520 0.956 1.00 0.00 C ATOM 582 C LYS A 37 0.659 -8.399 0.067 1.00 0.00 C ATOM 583 O LYS A 37 1.863 -8.214 -0.103 1.00 0.00 O ATOM 584 CB LYS A 37 0.021 -10.819 0.159 1.00 0.00 C ATOM 585 CG LYS A 37 1.201 -11.762 0.337 1.00 0.00 C ATOM 586 CD LYS A 37 2.499 -11.125 -0.134 1.00 0.00 C ATOM 587 CE LYS A 37 3.318 -10.599 1.033 1.00 0.00 C ATOM 588 NZ LYS A 37 4.776 -10.594 0.732 1.00 0.00 N ATOM 0 H LYS A 37 -1.923 -9.689 1.195 1.00 0.00 H new ATOM 0 HA LYS A 37 0.854 -9.700 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.892 -11.332 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.084 -10.578 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.291 -12.040 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.022 -12.681 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.084 -11.858 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.276 -10.308 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.994 -9.587 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.131 -11.214 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.304 -10.293 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.077 -11.551 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.967 -9.935 -0.049 1.00 0.00 H new ATOM 602 N GLU A 38 -0.286 -7.637 -0.482 1.00 0.00 N ATOM 603 CA GLU A 38 0.033 -6.511 -1.334 1.00 0.00 C ATOM 604 C GLU A 38 0.186 -5.235 -0.504 1.00 0.00 C ATOM 605 O GLU A 38 0.199 -4.129 -1.039 1.00 0.00 O ATOM 606 CB GLU A 38 -1.065 -6.339 -2.379 1.00 0.00 C ATOM 607 CG GLU A 38 -0.876 -7.207 -3.611 1.00 0.00 C ATOM 608 CD GLU A 38 -0.762 -8.681 -3.272 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.275 -9.081 -2.701 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.709 -9.436 -3.578 1.00 0.00 O ATOM 0 H GLU A 38 -1.285 -7.788 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 38 0.981 -6.702 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.027 -6.574 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.103 -5.293 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.716 -7.058 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.022 -6.889 -4.141 1.00 0.00 H new ATOM 617 N LEU A 39 0.315 -5.400 0.808 1.00 0.00 N ATOM 618 CA LEU A 39 0.491 -4.273 1.713 1.00 0.00 C ATOM 619 C LEU A 39 1.882 -4.329 2.326 1.00 0.00 C ATOM 620 O LEU A 39 2.518 -3.300 2.553 1.00 0.00 O ATOM 621 CB LEU A 39 -0.579 -4.286 2.809 1.00 0.00 C ATOM 622 CG LEU A 39 -1.485 -3.054 2.846 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.735 -3.286 2.012 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.854 -2.707 4.281 1.00 0.00 C ATOM 0 H LEU A 39 0.301 -6.310 1.269 1.00 0.00 H new ATOM 0 HA LEU A 39 0.383 -3.346 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.201 -5.171 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.085 -4.384 3.776 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.940 -2.212 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.368 -2.399 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.451 -3.485 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.284 -4.140 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.499 -1.828 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.380 -3.547 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.948 -2.497 4.849 1.00 0.00 H new ATOM 636 N LEU A 40 2.358 -5.548 2.566 1.00 0.00 N ATOM 637 CA LEU A 40 3.683 -5.751 3.123 1.00 0.00 C ATOM 638 C LEU A 40 4.740 -5.474 2.060 1.00 0.00 C ATOM 639 O LEU A 40 5.867 -5.091 2.375 1.00 0.00 O ATOM 640 CB LEU A 40 3.830 -7.180 3.651 1.00 0.00 C ATOM 641 CG LEU A 40 4.990 -7.396 4.625 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.605 -6.936 6.022 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.408 -8.858 4.638 1.00 0.00 C ATOM 0 H LEU A 40 1.842 -6.408 2.382 1.00 0.00 H new ATOM 0 HA LEU A 40 3.822 -5.060 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.902 -7.465 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.958 -7.853 2.803 1.00 0.00 H new ATOM 0 HG LEU A 40 5.839 -6.800 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.442 -7.097 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.355 -5.875 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.742 -7.505 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.234 -8.994 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.565 -9.475 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.725 -9.155 3.638 1.00 0.00 H new ATOM 655 N ARG A 41 4.363 -5.662 0.794 1.00 0.00 N ATOM 656 CA ARG A 41 5.274 -5.420 -0.314 1.00 0.00 C ATOM 657 C ARG A 41 5.622 -3.939 -0.402 1.00 0.00 C ATOM 658 O ARG A 41 6.774 -3.574 -0.627 1.00 0.00 O ATOM 659 CB ARG A 41 4.651 -5.891 -1.629 1.00 0.00 C ATOM 660 CG ARG A 41 4.763 -7.389 -1.854 1.00 0.00 C ATOM 661 CD ARG A 41 6.079 -7.755 -2.521 1.00 0.00 C ATOM 662 NE ARG A 41 6.408 -9.169 -2.345 1.00 0.00 N ATOM 663 CZ ARG A 41 7.546 -9.721 -2.758 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.465 -8.986 -3.370 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.765 -11.014 -2.558 1.00 0.00 N ATOM 0 H ARG A 41 3.435 -5.980 0.516 1.00 0.00 H new ATOM 0 HA ARG A 41 6.189 -5.985 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.599 -5.608 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.133 -5.371 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.681 -7.909 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.933 -7.728 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.022 -7.526 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.879 -7.142 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 41 5.726 -9.767 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.301 -7.991 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.335 -9.415 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.061 -11.584 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.637 -11.438 -2.874 1.00 0.00 H new ATOM 679 N VAL A 42 4.616 -3.088 -0.212 1.00 0.00 N ATOM 680 CA VAL A 42 4.818 -1.646 -0.261 1.00 0.00 C ATOM 681 C VAL A 42 5.835 -1.208 0.787 1.00 0.00 C ATOM 682 O VAL A 42 6.530 -0.207 0.614 1.00 0.00 O ATOM 683 CB VAL A 42 3.492 -0.886 -0.043 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.708 0.619 -0.135 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.445 -1.336 -1.051 1.00 0.00 C ATOM 0 H VAL A 42 3.655 -3.374 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 42 5.198 -1.404 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 42 3.130 -1.118 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.760 1.133 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.421 0.932 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.098 0.871 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.518 -0.789 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.803 -1.138 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.263 -2.404 -0.934 1.00 0.00 H new ATOM 695 N GLY A 43 5.926 -1.973 1.868 1.00 0.00 N ATOM 696 CA GLY A 43 6.869 -1.659 2.922 1.00 0.00 C ATOM 697 C GLY A 43 8.267 -2.124 2.579 1.00 0.00 C ATOM 698 O GLY A 43 9.252 -1.471 2.923 1.00 0.00 O ATOM 0 H GLY A 43 5.362 -2.807 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.876 -0.583 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.547 -2.130 3.851 1.00 0.00 H new ATOM 702 N GLN A 44 8.352 -3.257 1.888 1.00 0.00 N ATOM 703 CA GLN A 44 9.635 -3.809 1.480 1.00 0.00 C ATOM 704 C GLN A 44 10.261 -2.948 0.391 1.00 0.00 C ATOM 705 O GLN A 44 11.483 -2.853 0.284 1.00 0.00 O ATOM 706 CB GLN A 44 9.463 -5.245 0.980 1.00 0.00 C ATOM 707 CG GLN A 44 10.692 -6.114 1.191 1.00 0.00 C ATOM 708 CD GLN A 44 10.590 -7.450 0.480 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.320 -8.477 1.101 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.808 -7.441 -0.829 1.00 0.00 N ATOM 0 H GLN A 44 7.545 -3.810 1.600 1.00 0.00 H new ATOM 0 HA GLN A 44 10.298 -3.816 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.615 -5.700 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.221 -5.224 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.574 -5.583 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.833 -6.284 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.029 -6.565 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.754 -8.310 -1.361 1.00 0.00 H new ATOM 719 N ILE A 45 9.411 -2.312 -0.413 1.00 0.00 N ATOM 720 CA ILE A 45 9.879 -1.451 -1.490 1.00 0.00 C ATOM 721 C ILE A 45 10.719 -0.306 -0.931 1.00 0.00 C ATOM 722 O ILE A 45 11.679 0.137 -1.563 1.00 0.00 O ATOM 723 CB ILE A 45 8.690 -0.886 -2.303 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.945 -2.025 -3.000 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.156 0.142 -3.330 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.504 -1.694 -3.327 1.00 0.00 C ATOM 0 H ILE A 45 8.396 -2.379 -0.337 1.00 0.00 H new ATOM 0 HA ILE A 45 10.498 -2.052 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 45 8.015 -0.384 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.469 -2.281 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.971 -2.909 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.296 0.519 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.649 0.969 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.856 -0.326 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.038 -2.547 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.965 -1.467 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.471 -0.829 -3.990 1.00 0.00 H new ATOM 738 N LEU A 46 10.361 0.160 0.259 1.00 0.00 N ATOM 739 CA LEU A 46 11.095 1.242 0.902 1.00 0.00 C ATOM 740 C LEU A 46 12.340 0.705 1.596 1.00 0.00 C ATOM 741 O LEU A 46 13.339 1.410 1.735 1.00 0.00 O ATOM 742 CB LEU A 46 10.200 1.974 1.906 1.00 0.00 C ATOM 743 CG LEU A 46 9.053 2.780 1.289 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.460 3.731 2.315 1.00 0.00 C ATOM 745 CD2 LEU A 46 9.533 3.548 0.064 1.00 0.00 C ATOM 0 H LEU A 46 9.569 -0.193 0.797 1.00 0.00 H new ATOM 0 HA LEU A 46 11.406 1.950 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.779 1.242 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.820 2.648 2.497 1.00 0.00 H new ATOM 0 HG LEU A 46 8.276 2.084 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.646 4.296 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.077 3.161 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.231 4.420 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.703 4.114 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.329 4.234 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.911 2.847 -0.680 1.00 0.00 H new ATOM 757 N LYS A 47 12.276 -0.553 2.018 1.00 0.00 N ATOM 758 CA LYS A 47 13.403 -1.191 2.682 1.00 0.00 C ATOM 759 C LYS A 47 14.473 -1.565 1.663 1.00 0.00 C ATOM 760 O LYS A 47 15.659 -1.621 1.984 1.00 0.00 O ATOM 761 CB LYS A 47 12.940 -2.438 3.439 1.00 0.00 C ATOM 762 CG LYS A 47 13.686 -2.670 4.743 1.00 0.00 C ATOM 763 CD LYS A 47 13.320 -1.628 5.788 1.00 0.00 C ATOM 764 CE LYS A 47 11.965 -1.916 6.411 1.00 0.00 C ATOM 765 NZ LYS A 47 11.224 -0.666 6.734 1.00 0.00 N ATOM 0 H LYS A 47 11.456 -1.150 1.911 1.00 0.00 H new ATOM 0 HA LYS A 47 13.828 -0.486 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.874 -2.350 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.067 -3.310 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.455 -3.665 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.760 -2.641 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.083 -1.608 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.308 -0.639 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.372 -2.522 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.101 -2.502 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.305 -0.907 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.777 -0.099 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.071 -0.118 5.863 1.00 0.00 H new ATOM 779 N GLU A 48 14.042 -1.815 0.430 1.00 0.00 N ATOM 780 CA GLU A 48 14.959 -2.177 -0.643 1.00 0.00 C ATOM 781 C GLU A 48 15.976 -1.061 -0.881 1.00 0.00 C ATOM 782 O GLU A 48 15.623 0.011 -1.371 1.00 0.00 O ATOM 783 CB GLU A 48 14.177 -2.456 -1.929 1.00 0.00 C ATOM 784 CG GLU A 48 13.955 -3.936 -2.197 1.00 0.00 C ATOM 785 CD GLU A 48 13.542 -4.213 -3.629 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.373 -4.005 -4.538 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.386 -4.637 -3.842 1.00 0.00 O ATOM 0 H GLU A 48 13.062 -1.773 0.150 1.00 0.00 H new ATOM 0 HA GLU A 48 15.497 -3.079 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.210 -1.957 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.712 -2.019 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.871 -4.483 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.187 -4.313 -1.522 1.00 0.00 H new ATOM 794 N PRO A 49 17.256 -1.294 -0.537 1.00 0.00 N ATOM 795 CA PRO A 49 18.312 -0.292 -0.719 1.00 0.00 C ATOM 796 C PRO A 49 18.368 0.237 -2.148 1.00 0.00 C ATOM 797 O PRO A 49 18.631 1.419 -2.372 1.00 0.00 O ATOM 798 CB PRO A 49 19.595 -1.054 -0.379 1.00 0.00 C ATOM 799 CG PRO A 49 19.153 -2.157 0.519 1.00 0.00 C ATOM 800 CD PRO A 49 17.775 -2.541 0.057 1.00 0.00 C ATOM 0 HA PRO A 49 18.148 0.587 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.074 -1.443 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.320 -0.408 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.835 -3.005 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.139 -1.831 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.806 -3.351 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.153 -2.881 0.885 1.00 0.00 H new ATOM 808 N LYS A 50 18.114 -0.641 -3.111 1.00 0.00 N ATOM 809 CA LYS A 50 18.130 -0.257 -4.518 1.00 0.00 C ATOM 810 C LYS A 50 16.778 0.314 -4.943 1.00 0.00 C ATOM 811 O LYS A 50 16.581 0.666 -6.106 1.00 0.00 O ATOM 812 CB LYS A 50 18.486 -1.460 -5.393 1.00 0.00 C ATOM 813 CG LYS A 50 18.793 -1.093 -6.836 1.00 0.00 C ATOM 814 CD LYS A 50 17.589 -1.318 -7.736 1.00 0.00 C ATOM 815 CE LYS A 50 17.462 -0.222 -8.781 1.00 0.00 C ATOM 816 NZ LYS A 50 16.990 -0.753 -10.089 1.00 0.00 N ATOM 0 H LYS A 50 17.895 -1.623 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 50 18.888 0.516 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.350 -1.968 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.658 -2.169 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.099 -0.048 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.632 -1.689 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.679 -2.285 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.683 -1.352 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.767 0.539 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.428 0.266 -8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.917 0.026 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.666 -1.461 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.057 -1.196 -9.968 1.00 0.00 H new ATOM 830 N MET A 51 15.847 0.399 -3.995 1.00 0.00 N ATOM 831 CA MET A 51 14.517 0.922 -4.273 1.00 0.00 C ATOM 832 C MET A 51 14.248 2.195 -3.472 1.00 0.00 C ATOM 833 O MET A 51 13.496 3.065 -3.911 1.00 0.00 O ATOM 834 CB MET A 51 13.460 -0.133 -3.944 1.00 0.00 C ATOM 835 CG MET A 51 12.060 0.240 -4.398 1.00 0.00 C ATOM 836 SD MET A 51 11.979 0.620 -6.160 1.00 0.00 S ATOM 837 CE MET A 51 11.149 2.206 -6.125 1.00 0.00 C ATOM 0 H MET A 51 15.992 0.111 -3.027 1.00 0.00 H new ATOM 0 HA MET A 51 14.464 1.168 -5.334 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.744 -1.076 -4.411 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.450 -0.300 -2.867 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.379 -0.582 -4.176 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.715 1.103 -3.828 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.726 2.417 -7.107 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.350 2.182 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.865 2.985 -5.863 1.00 0.00 H new ATOM 847 N ALA A 52 14.863 2.296 -2.297 1.00 0.00 N ATOM 848 CA ALA A 52 14.684 3.463 -1.442 1.00 0.00 C ATOM 849 C ALA A 52 15.190 4.727 -2.126 1.00 0.00 C ATOM 850 O ALA A 52 14.463 5.713 -2.247 1.00 0.00 O ATOM 851 CB ALA A 52 15.396 3.258 -0.113 1.00 0.00 C ATOM 0 H ALA A 52 15.488 1.585 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 52 13.617 3.585 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.254 4.137 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.984 2.383 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.461 3.107 -0.290 1.00 0.00 H new ATOM 857 N ALA A 53 16.442 4.693 -2.574 1.00 0.00 N ATOM 858 CA ALA A 53 17.044 5.836 -3.247 1.00 0.00 C ATOM 859 C ALA A 53 16.228 6.251 -4.469 1.00 0.00 C ATOM 860 O ALA A 53 16.310 7.392 -4.923 1.00 0.00 O ATOM 861 CB ALA A 53 18.475 5.515 -3.652 1.00 0.00 C ATOM 0 H ALA A 53 17.058 3.885 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 53 17.052 6.673 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.913 6.378 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.060 5.276 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.479 4.661 -4.329 1.00 0.00 H new ATOM 867 N SER A 54 15.441 5.317 -4.998 1.00 0.00 N ATOM 868 CA SER A 54 14.613 5.588 -6.167 1.00 0.00 C ATOM 869 C SER A 54 13.253 6.145 -5.758 1.00 0.00 C ATOM 870 O SER A 54 12.837 7.201 -6.235 1.00 0.00 O ATOM 871 CB SER A 54 14.427 4.313 -6.991 1.00 0.00 C ATOM 872 OG SER A 54 15.676 3.735 -7.328 1.00 0.00 O ATOM 0 H SER A 54 15.360 4.367 -4.635 1.00 0.00 H new ATOM 0 HA SER A 54 15.122 6.336 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.832 3.595 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.872 4.542 -7.901 1.00 0.00 H new ATOM 0 HG SER A 54 15.529 2.921 -7.853 1.00 0.00 H new ATOM 878 N LEU A 55 12.566 5.430 -4.874 1.00 0.00 N ATOM 879 CA LEU A 55 11.252 5.853 -4.405 1.00 0.00 C ATOM 880 C LEU A 55 11.355 7.113 -3.550 1.00 0.00 C ATOM 881 O LEU A 55 10.430 7.926 -3.510 1.00 0.00 O ATOM 882 CB LEU A 55 10.585 4.731 -3.606 1.00 0.00 C ATOM 883 CG LEU A 55 9.107 4.499 -3.926 1.00 0.00 C ATOM 884 CD1 LEU A 55 8.933 4.083 -5.378 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.520 3.449 -2.994 1.00 0.00 C ATOM 0 H LEU A 55 12.897 4.555 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 55 10.640 6.080 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.130 3.804 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.680 4.956 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 55 8.570 5.435 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.875 3.923 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.316 4.868 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.483 3.160 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.468 3.296 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.061 2.511 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.610 3.787 -1.962 1.00 0.00 H new ATOM 897 N LEU A 56 12.484 7.268 -2.868 1.00 0.00 N ATOM 898 CA LEU A 56 12.706 8.429 -2.013 1.00 0.00 C ATOM 899 C LEU A 56 13.196 9.628 -2.823 1.00 0.00 C ATOM 900 O LEU A 56 13.099 10.770 -2.375 1.00 0.00 O ATOM 901 CB LEU A 56 13.720 8.093 -0.917 1.00 0.00 C ATOM 902 CG LEU A 56 14.043 9.243 0.040 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.240 8.722 1.455 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.279 9.995 -0.431 1.00 0.00 C ATOM 0 H LEU A 56 13.259 6.605 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 56 11.753 8.693 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.339 7.253 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.645 7.762 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 56 13.200 9.934 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.469 9.554 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.328 8.228 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.065 8.009 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.495 10.809 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.129 9.313 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.100 10.402 -1.426 1.00 0.00 H new ATOM 916 N ASN A 57 13.724 9.363 -4.015 1.00 0.00 N ATOM 917 CA ASN A 57 14.228 10.423 -4.880 1.00 0.00 C ATOM 918 C ASN A 57 13.146 11.466 -5.159 1.00 0.00 C ATOM 919 O ASN A 57 11.978 11.124 -5.343 1.00 0.00 O ATOM 920 CB ASN A 57 14.735 9.836 -6.199 1.00 0.00 C ATOM 921 CG ASN A 57 15.971 10.548 -6.712 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.856 10.915 -5.940 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.037 10.747 -8.024 1.00 0.00 N ATOM 0 H ASN A 57 13.813 8.424 -4.403 1.00 0.00 H new ATOM 0 HA ASN A 57 15.054 10.913 -4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.960 8.778 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.946 9.898 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.845 11.221 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.280 10.426 -8.627 1.00 0.00 H new ATOM 930 N PRO A 58 13.522 12.757 -5.197 1.00 0.00 N ATOM 931 CA PRO A 58 12.578 13.846 -5.458 1.00 0.00 C ATOM 932 C PRO A 58 12.243 13.992 -6.941 1.00 0.00 C ATOM 933 O PRO A 58 11.486 14.882 -7.329 1.00 0.00 O ATOM 934 CB PRO A 58 13.332 15.076 -4.958 1.00 0.00 C ATOM 935 CG PRO A 58 14.769 14.748 -5.181 1.00 0.00 C ATOM 936 CD PRO A 58 14.896 13.258 -4.991 1.00 0.00 C ATOM 0 HA PRO A 58 11.617 13.681 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.039 15.971 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.127 15.266 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.084 15.041 -6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.405 15.286 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.592 12.822 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.266 13.012 -3.996 1.00 0.00 H new ATOM 944 N TYR A 59 12.812 13.118 -7.768 1.00 0.00 N ATOM 945 CA TYR A 59 12.572 13.156 -9.205 1.00 0.00 C ATOM 946 C TYR A 59 11.368 12.298 -9.582 1.00 0.00 C ATOM 947 O TYR A 59 10.687 12.567 -10.570 1.00 0.00 O ATOM 948 CB TYR A 59 13.813 12.673 -9.957 1.00 0.00 C ATOM 949 CG TYR A 59 15.030 13.545 -9.741 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.658 13.598 -8.503 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.548 14.316 -10.773 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.769 14.395 -8.300 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.659 15.116 -10.578 1.00 0.00 C ATOM 954 CZ TYR A 59 17.265 15.151 -9.341 1.00 0.00 C ATOM 955 OH TYR A 59 18.371 15.945 -9.142 1.00 0.00 O ATOM 0 H TYR A 59 13.442 12.375 -7.466 1.00 0.00 H new ATOM 0 HA TYR A 59 12.359 14.187 -9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.045 11.656 -9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.589 12.634 -11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.272 13.007 -7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.076 14.291 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.246 14.425 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.050 15.710 -11.391 1.00 0.00 H new ATOM 0 HH TYR A 59 18.593 16.412 -9.975 1.00 0.00 H new ATOM 965 N VAL A 60 11.112 11.264 -8.786 1.00 0.00 N ATOM 966 CA VAL A 60 9.991 10.365 -9.035 1.00 0.00 C ATOM 967 C VAL A 60 8.673 11.130 -9.108 1.00 0.00 C ATOM 968 O VAL A 60 7.729 10.695 -9.767 1.00 0.00 O ATOM 969 CB VAL A 60 9.884 9.287 -7.942 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.085 8.354 -7.992 1.00 0.00 C ATOM 971 CG2 VAL A 60 9.753 9.929 -6.569 1.00 0.00 C ATOM 0 H VAL A 60 11.666 11.028 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 60 10.181 9.884 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 60 8.987 8.696 -8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.992 7.599 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.127 7.867 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 60 11.998 8.928 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.679 9.151 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.629 10.547 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.857 10.550 -6.542 1.00 0.00 H new ATOM 981 N LYS A 61 8.614 12.272 -8.429 1.00 0.00 N ATOM 982 CA LYS A 61 7.410 13.094 -8.420 1.00 0.00 C ATOM 983 C LYS A 61 6.223 12.317 -7.860 1.00 0.00 C ATOM 984 O LYS A 61 6.366 11.175 -7.424 1.00 0.00 O ATOM 985 CB LYS A 61 7.093 13.585 -9.834 1.00 0.00 C ATOM 986 CG LYS A 61 7.725 14.925 -10.169 1.00 0.00 C ATOM 987 CD LYS A 61 6.760 16.073 -9.919 1.00 0.00 C ATOM 988 CE LYS A 61 7.155 17.314 -10.705 1.00 0.00 C ATOM 989 NZ LYS A 61 7.975 18.250 -9.889 1.00 0.00 N ATOM 0 H LYS A 61 9.386 12.648 -7.878 1.00 0.00 H new ATOM 0 HA LYS A 61 7.592 13.954 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.436 12.841 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.012 13.664 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.623 15.066 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.037 14.931 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.751 15.769 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.739 16.307 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.716 17.019 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.257 17.826 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.224 19.083 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.431 18.552 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.844 17.770 -9.580 1.00 0.00 H new ATOM 1003 N ARG A 62 5.052 12.945 -7.874 1.00 0.00 N ATOM 1004 CA ARG A 62 3.840 12.313 -7.368 1.00 0.00 C ATOM 1005 C ARG A 62 3.057 11.652 -8.498 1.00 0.00 C ATOM 1006 O ARG A 62 2.764 10.457 -8.449 1.00 0.00 O ATOM 1007 CB ARG A 62 2.960 13.344 -6.658 1.00 0.00 C ATOM 1008 CG ARG A 62 1.753 12.737 -5.962 1.00 0.00 C ATOM 1009 CD ARG A 62 0.554 13.671 -6.012 1.00 0.00 C ATOM 1010 NE ARG A 62 -0.366 13.323 -7.093 1.00 0.00 N ATOM 1011 CZ ARG A 62 -1.618 13.769 -7.171 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -2.103 14.577 -6.238 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -2.387 13.404 -8.189 1.00 0.00 N ATOM 0 H ARG A 62 4.917 13.891 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 62 4.134 11.543 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.562 13.879 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.617 14.080 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.497 11.789 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.002 12.518 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.025 13.633 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.899 14.697 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.030 12.703 -7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.516 14.861 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.063 14.915 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.019 12.783 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.347 13.744 -8.251 1.00 0.00 H new ATOM 1027 N SER A 63 2.720 12.438 -9.516 1.00 0.00 N ATOM 1028 CA SER A 63 1.971 11.929 -10.659 1.00 0.00 C ATOM 1029 C SER A 63 2.775 10.872 -11.411 1.00 0.00 C ATOM 1030 O SER A 63 2.276 9.782 -11.691 1.00 0.00 O ATOM 1031 CB SER A 63 1.601 13.073 -11.604 1.00 0.00 C ATOM 1032 OG SER A 63 0.447 13.758 -11.150 1.00 0.00 O ATOM 0 H SER A 63 2.954 13.429 -9.572 1.00 0.00 H new ATOM 0 HA SER A 63 1.058 11.466 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.435 13.770 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.423 12.679 -12.605 1.00 0.00 H new ATOM 0 HG SER A 63 0.233 14.485 -11.771 1.00 0.00 H new ATOM 1038 N VAL A 64 4.021 11.201 -11.734 1.00 0.00 N ATOM 1039 CA VAL A 64 4.892 10.278 -12.451 1.00 0.00 C ATOM 1040 C VAL A 64 5.064 8.976 -11.677 1.00 0.00 C ATOM 1041 O VAL A 64 5.081 7.892 -12.260 1.00 0.00 O ATOM 1042 CB VAL A 64 6.280 10.898 -12.711 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.126 9.977 -13.575 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.140 12.269 -13.358 1.00 0.00 C ATOM 0 H VAL A 64 4.450 12.099 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 64 4.414 10.069 -13.408 1.00 0.00 H new ATOM 0 HB VAL A 64 6.785 11.023 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.101 10.433 -13.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.257 9.021 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.628 9.816 -14.531 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.129 12.691 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.613 12.171 -14.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.577 12.928 -12.697 1.00 0.00 H new ATOM 1054 N LYS A 65 5.185 9.090 -10.358 1.00 0.00 N ATOM 1055 CA LYS A 65 5.349 7.920 -9.503 1.00 0.00 C ATOM 1056 C LYS A 65 4.156 6.979 -9.641 1.00 0.00 C ATOM 1057 O LYS A 65 4.294 5.763 -9.506 1.00 0.00 O ATOM 1058 CB LYS A 65 5.511 8.347 -8.042 1.00 0.00 C ATOM 1059 CG LYS A 65 5.701 7.182 -7.084 1.00 0.00 C ATOM 1060 CD LYS A 65 7.081 6.557 -7.231 1.00 0.00 C ATOM 1061 CE LYS A 65 7.015 5.221 -7.952 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.361 4.756 -8.386 1.00 0.00 N ATOM 0 H LYS A 65 5.173 9.979 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 65 6.248 7.391 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.367 9.016 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.632 8.916 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.564 7.527 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.937 6.427 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.732 7.236 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.525 6.418 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.568 4.475 -7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.364 5.310 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.369 4.633 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.076 5.461 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.579 3.849 -7.927 1.00 0.00 H new ATOM 1076 N VAL A 66 2.988 7.550 -9.914 1.00 0.00 N ATOM 1077 CA VAL A 66 1.773 6.761 -10.074 1.00 0.00 C ATOM 1078 C VAL A 66 1.903 5.785 -11.238 1.00 0.00 C ATOM 1079 O VAL A 66 1.598 4.601 -11.104 1.00 0.00 O ATOM 1080 CB VAL A 66 0.544 7.662 -10.305 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.733 6.834 -10.322 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.471 8.747 -9.241 1.00 0.00 C ATOM 0 H VAL A 66 2.857 8.555 -10.029 1.00 0.00 H new ATOM 0 HA VAL A 66 1.633 6.202 -9.149 1.00 0.00 H new ATOM 0 HB VAL A 66 0.648 8.144 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.589 7.489 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.679 6.099 -11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.847 6.321 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.403 9.374 -9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.392 8.286 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.372 9.360 -9.284 1.00 0.00 H new ATOM 1092 N LYS A 67 2.360 6.289 -12.379 1.00 0.00 N ATOM 1093 CA LYS A 67 2.532 5.459 -13.564 1.00 0.00 C ATOM 1094 C LYS A 67 3.626 4.421 -13.339 1.00 0.00 C ATOM 1095 O LYS A 67 3.501 3.270 -13.759 1.00 0.00 O ATOM 1096 CB LYS A 67 2.874 6.324 -14.777 1.00 0.00 C ATOM 1097 CG LYS A 67 2.409 5.733 -16.098 1.00 0.00 C ATOM 1098 CD LYS A 67 2.278 6.802 -17.171 1.00 0.00 C ATOM 1099 CE LYS A 67 1.313 6.375 -18.266 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.024 5.782 -19.432 1.00 0.00 N ATOM 0 H LYS A 67 2.618 7.268 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 67 1.593 4.940 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.422 7.308 -14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.953 6.471 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.116 4.971 -16.426 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.449 5.237 -15.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.930 7.731 -16.720 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.257 7.005 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.606 5.649 -17.864 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.732 7.237 -18.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.331 5.504 -20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.680 6.483 -19.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.558 4.944 -19.124 1.00 0.00 H new ATOM 1114 N SER A 68 4.696 4.834 -12.668 1.00 0.00 N ATOM 1115 CA SER A 68 5.810 3.940 -12.381 1.00 0.00 C ATOM 1116 C SER A 68 5.397 2.867 -11.379 1.00 0.00 C ATOM 1117 O SER A 68 5.933 1.759 -11.384 1.00 0.00 O ATOM 1118 CB SER A 68 7.001 4.732 -11.839 1.00 0.00 C ATOM 1119 OG SER A 68 7.946 3.874 -11.221 1.00 0.00 O ATOM 0 H SER A 68 4.815 5.783 -12.313 1.00 0.00 H new ATOM 0 HA SER A 68 6.103 3.452 -13.310 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.479 5.278 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.652 5.472 -11.119 1.00 0.00 H new ATOM 0 HG SER A 68 8.811 4.331 -11.158 1.00 0.00 H new ATOM 1125 N LEU A 69 4.440 3.204 -10.520 1.00 0.00 N ATOM 1126 CA LEU A 69 3.953 2.270 -9.513 1.00 0.00 C ATOM 1127 C LEU A 69 3.172 1.131 -10.159 1.00 0.00 C ATOM 1128 O LEU A 69 3.293 -0.026 -9.757 1.00 0.00 O ATOM 1129 CB LEU A 69 3.069 2.996 -8.497 1.00 0.00 C ATOM 1130 CG LEU A 69 3.825 3.817 -7.451 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.962 4.960 -6.942 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.271 2.929 -6.298 1.00 0.00 C ATOM 0 H LEU A 69 3.987 4.118 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 69 4.817 1.849 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.391 3.658 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.453 2.259 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 69 4.712 4.241 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.517 5.532 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.692 5.611 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.056 4.558 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.807 3.529 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.398 2.476 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.928 2.145 -6.675 1.00 0.00 H new ATOM 1144 N SER A 70 2.370 1.468 -11.163 1.00 0.00 N ATOM 1145 CA SER A 70 1.565 0.476 -11.866 1.00 0.00 C ATOM 1146 C SER A 70 2.439 -0.446 -12.709 1.00 0.00 C ATOM 1147 O SER A 70 2.057 -1.580 -13.000 1.00 0.00 O ATOM 1148 CB SER A 70 0.524 1.164 -12.751 1.00 0.00 C ATOM 1149 OG SER A 70 0.029 2.341 -12.136 1.00 0.00 O ATOM 0 H SER A 70 2.260 2.421 -11.509 1.00 0.00 H new ATOM 0 HA SER A 70 1.053 -0.129 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.969 1.413 -13.714 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.300 0.479 -12.948 1.00 0.00 H new ATOM 0 HG SER A 70 -0.633 2.763 -12.722 1.00 0.00 H new ATOM 1155 N ASP A 71 3.615 0.036 -13.088 1.00 0.00 N ATOM 1156 CA ASP A 71 4.538 -0.763 -13.882 1.00 0.00 C ATOM 1157 C ASP A 71 5.494 -1.509 -12.968 1.00 0.00 C ATOM 1158 O ASP A 71 5.891 -2.639 -13.253 1.00 0.00 O ATOM 1159 CB ASP A 71 5.315 0.119 -14.861 1.00 0.00 C ATOM 1160 CG ASP A 71 6.002 -0.687 -15.945 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.870 -1.519 -15.607 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.672 -0.486 -17.133 1.00 0.00 O ATOM 0 H ASP A 71 3.951 0.972 -12.860 1.00 0.00 H new ATOM 0 HA ASP A 71 3.963 -1.486 -14.461 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.633 0.834 -15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.060 0.696 -14.313 1.00 0.00 H new ATOM 1167 N MET A 72 5.845 -0.878 -11.855 1.00 0.00 N ATOM 1168 CA MET A 72 6.734 -1.493 -10.885 1.00 0.00 C ATOM 1169 C MET A 72 5.957 -2.466 -10.017 1.00 0.00 C ATOM 1170 O MET A 72 6.514 -3.447 -9.522 1.00 0.00 O ATOM 1171 CB MET A 72 7.424 -0.428 -10.025 1.00 0.00 C ATOM 1172 CG MET A 72 6.546 0.140 -8.920 1.00 0.00 C ATOM 1173 SD MET A 72 6.850 -0.639 -7.323 1.00 0.00 S ATOM 1174 CE MET A 72 5.323 -0.262 -6.466 1.00 0.00 C ATOM 0 H MET A 72 5.527 0.058 -11.604 1.00 0.00 H new ATOM 0 HA MET A 72 7.509 -2.042 -11.420 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.319 -0.861 -9.578 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.752 0.388 -10.669 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.722 1.212 -8.836 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.498 0.009 -9.190 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.536 0.370 -5.604 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.647 0.262 -7.141 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.856 -1.188 -6.131 1.00 0.00 H new ATOM 1184 N THR A 73 4.659 -2.213 -9.850 1.00 0.00 N ATOM 1185 CA THR A 73 3.837 -3.107 -9.059 1.00 0.00 C ATOM 1186 C THR A 73 3.744 -4.454 -9.748 1.00 0.00 C ATOM 1187 O THR A 73 3.616 -5.489 -9.094 1.00 0.00 O ATOM 1188 CB THR A 73 2.439 -2.545 -8.830 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.716 -3.416 -7.992 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.629 -2.378 -10.088 1.00 0.00 C ATOM 0 H THR A 73 4.168 -1.411 -10.246 1.00 0.00 H new ATOM 0 HA THR A 73 4.309 -3.218 -8.083 1.00 0.00 H new ATOM 0 HB THR A 73 2.590 -1.559 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.192 -3.523 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.648 -1.974 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.143 -1.694 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.509 -3.346 -10.575 1.00 0.00 H new ATOM 1198 N ALA A 74 3.841 -4.444 -11.079 1.00 0.00 N ATOM 1199 CA ALA A 74 3.797 -5.680 -11.841 1.00 0.00 C ATOM 1200 C ALA A 74 4.780 -6.684 -11.249 1.00 0.00 C ATOM 1201 O ALA A 74 4.582 -7.895 -11.338 1.00 0.00 O ATOM 1202 CB ALA A 74 4.115 -5.417 -13.305 1.00 0.00 C ATOM 0 H ALA A 74 3.949 -3.600 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 74 2.791 -6.096 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.077 -6.355 -13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.383 -4.722 -13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.113 -4.986 -13.389 1.00 0.00 H new ATOM 1208 N LYS A 75 5.841 -6.160 -10.632 1.00 0.00 N ATOM 1209 CA LYS A 75 6.852 -7.003 -10.012 1.00 0.00 C ATOM 1210 C LYS A 75 6.636 -7.110 -8.502 1.00 0.00 C ATOM 1211 O LYS A 75 7.118 -8.048 -7.868 1.00 0.00 O ATOM 1212 CB LYS A 75 8.252 -6.458 -10.302 1.00 0.00 C ATOM 1213 CG LYS A 75 8.875 -7.026 -11.567 1.00 0.00 C ATOM 1214 CD LYS A 75 10.372 -6.771 -11.613 1.00 0.00 C ATOM 1215 CE LYS A 75 11.078 -7.763 -12.523 1.00 0.00 C ATOM 1216 NZ LYS A 75 12.461 -7.321 -12.859 1.00 0.00 N ATOM 0 H LYS A 75 6.018 -5.159 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 75 6.761 -8.001 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.200 -5.373 -10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.902 -6.680 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.686 -8.098 -11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.401 -6.577 -12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.559 -5.756 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.785 -6.841 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.116 -8.738 -12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.503 -7.887 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.909 -8.024 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.423 -6.403 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.017 -7.227 -11.985 1.00 0.00 H new ATOM 1230 N GLU A 76 5.909 -6.152 -7.926 1.00 0.00 N ATOM 1231 CA GLU A 76 5.643 -6.166 -6.494 1.00 0.00 C ATOM 1232 C GLU A 76 4.606 -7.227 -6.148 1.00 0.00 C ATOM 1233 O GLU A 76 4.899 -8.178 -5.423 1.00 0.00 O ATOM 1234 CB GLU A 76 5.158 -4.790 -6.031 1.00 0.00 C ATOM 1235 CG GLU A 76 6.179 -3.685 -6.235 1.00 0.00 C ATOM 1236 CD GLU A 76 7.476 -3.946 -5.493 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.416 -4.435 -4.346 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.552 -3.660 -6.061 1.00 0.00 O ATOM 0 H GLU A 76 5.498 -5.364 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 76 6.572 -6.408 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.246 -4.535 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.898 -4.842 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.388 -3.581 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.756 -2.738 -5.899 1.00 0.00 H new ATOM 1245 N LYS A 77 3.393 -7.054 -6.679 1.00 0.00 N ATOM 1246 CA LYS A 77 2.286 -7.988 -6.444 1.00 0.00 C ATOM 1247 C LYS A 77 0.941 -7.299 -6.661 1.00 0.00 C ATOM 1248 O LYS A 77 -0.012 -7.911 -7.141 1.00 0.00 O ATOM 1249 CB LYS A 77 2.338 -8.565 -5.023 1.00 0.00 C ATOM 1250 CG LYS A 77 2.904 -9.974 -4.958 1.00 0.00 C ATOM 1251 CD LYS A 77 3.732 -10.186 -3.701 1.00 0.00 C ATOM 1252 CE LYS A 77 4.576 -11.446 -3.796 1.00 0.00 C ATOM 1253 NZ LYS A 77 4.663 -12.156 -2.489 1.00 0.00 N ATOM 0 H LYS A 77 3.150 -6.267 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 77 2.392 -8.804 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.943 -7.910 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.332 -8.567 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.088 -10.696 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.521 -10.160 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.380 -9.324 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.072 -10.253 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.149 -12.114 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.579 -11.187 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.506 -12.765 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.731 -11.460 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.813 -12.739 -2.354 1.00 0.00 H new ATOM 1267 N PHE A 78 0.871 -6.022 -6.287 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.353 -5.238 -6.421 1.00 0.00 C ATOM 1269 C PHE A 78 -0.952 -5.344 -7.801 1.00 0.00 C ATOM 1270 O PHE A 78 -0.452 -6.064 -8.664 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.095 -3.760 -6.137 1.00 0.00 C ATOM 1272 CG PHE A 78 0.989 -3.528 -5.145 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.969 -4.180 -3.930 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.038 -2.682 -5.441 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.988 -3.991 -3.020 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.056 -2.482 -4.538 1.00 0.00 C ATOM 1277 CZ PHE A 78 3.035 -3.138 -3.323 1.00 0.00 C ATOM 0 H PHE A 78 1.655 -5.507 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.051 -5.650 -5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.163 -3.258 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.015 -3.302 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.151 -4.842 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.060 -2.171 -6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.969 -4.508 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.870 -1.814 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.833 -2.986 -2.611 1.00 0.00 H new ATOM 1287 N SER A 79 -2.019 -4.574 -7.985 1.00 0.00 N ATOM 1288 CA SER A 79 -2.743 -4.492 -9.247 1.00 0.00 C ATOM 1289 C SER A 79 -4.249 -4.458 -9.021 1.00 0.00 C ATOM 1290 O SER A 79 -4.962 -3.716 -9.694 1.00 0.00 O ATOM 1291 CB SER A 79 -2.401 -5.649 -10.194 1.00 0.00 C ATOM 1292 OG SER A 79 -1.188 -5.404 -10.886 1.00 0.00 O ATOM 0 H SER A 79 -2.410 -3.982 -7.252 1.00 0.00 H new ATOM 0 HA SER A 79 -2.425 -3.561 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.318 -6.575 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.210 -5.787 -10.911 1.00 0.00 H new ATOM 0 HG SER A 79 -0.430 -5.626 -10.306 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.776 -5.302 -8.119 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.198 -5.383 -7.874 1.00 0.00 C ATOM 1300 C PRO A 80 -6.689 -4.640 -6.639 1.00 0.00 C ATOM 1301 O PRO A 80 -7.390 -3.636 -6.762 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.397 -6.888 -7.718 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.087 -7.409 -7.182 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.064 -6.297 -7.321 1.00 0.00 C ATOM 0 HA PRO A 80 -6.768 -4.908 -8.673 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.217 -7.108 -7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.644 -7.353 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.191 -7.707 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.770 -8.293 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.764 -5.899 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.157 -6.641 -7.818 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.343 -5.121 -5.450 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.793 -4.461 -4.238 1.00 0.00 C ATOM 1314 C LEU A 81 -5.718 -3.530 -3.727 1.00 0.00 C ATOM 1315 O LEU A 81 -5.813 -2.980 -2.631 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.162 -5.481 -3.170 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.601 -5.997 -3.246 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.591 -4.844 -3.137 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.821 -6.767 -4.540 1.00 0.00 C ATOM 0 H LEU A 81 -5.764 -5.948 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.684 -3.879 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.482 -6.329 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.003 -5.033 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.769 -6.673 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.608 -5.231 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.450 -4.332 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.424 -4.143 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.849 -7.127 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.634 -6.111 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.138 -7.615 -4.579 1.00 0.00 H new ATOM 1331 N THR A 82 -4.692 -3.361 -4.540 1.00 0.00 N ATOM 1332 CA THR A 82 -3.587 -2.507 -4.200 1.00 0.00 C ATOM 1333 C THR A 82 -3.288 -1.532 -5.332 1.00 0.00 C ATOM 1334 O THR A 82 -2.373 -0.719 -5.225 1.00 0.00 O ATOM 1335 CB THR A 82 -2.368 -3.353 -3.883 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.702 -4.731 -3.879 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.749 -3.021 -2.543 1.00 0.00 C ATOM 0 H THR A 82 -4.608 -3.814 -5.450 1.00 0.00 H new ATOM 0 HA THR A 82 -3.851 -1.922 -3.319 1.00 0.00 H new ATOM 0 HB THR A 82 -1.643 -3.129 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.264 -4.929 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.882 -3.660 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.437 -1.977 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.481 -3.187 -1.753 1.00 0.00 H new ATOM 1345 N SER A 83 -4.072 -1.595 -6.414 1.00 0.00 N ATOM 1346 CA SER A 83 -3.868 -0.684 -7.531 1.00 0.00 C ATOM 1347 C SER A 83 -4.711 0.573 -7.352 1.00 0.00 C ATOM 1348 O SER A 83 -5.120 1.216 -8.319 1.00 0.00 O ATOM 1349 CB SER A 83 -4.207 -1.351 -8.859 1.00 0.00 C ATOM 1350 OG SER A 83 -4.160 -0.418 -9.925 1.00 0.00 O ATOM 0 H SER A 83 -4.839 -2.257 -6.534 1.00 0.00 H new ATOM 0 HA SER A 83 -2.813 -0.409 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.506 -2.163 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.201 -1.795 -8.803 1.00 0.00 H new ATOM 0 HG SER A 83 -4.688 0.373 -9.691 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.941 0.910 -6.098 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.706 2.083 -5.715 1.00 0.00 C ATOM 1358 C ASN A 84 -5.093 2.615 -4.441 1.00 0.00 C ATOM 1359 O ASN A 84 -4.833 3.809 -4.299 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.180 1.731 -5.500 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.015 1.950 -6.745 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.519 1.000 -7.344 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.166 3.208 -7.143 1.00 0.00 N ATOM 0 H ASN A 84 -4.597 0.369 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.673 2.834 -6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.260 0.689 -5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.580 2.336 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.717 3.417 -7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.731 3.965 -6.616 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.804 1.684 -3.539 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.149 2.009 -2.296 1.00 0.00 C ATOM 1372 C LEU A 85 -2.709 2.413 -2.598 1.00 0.00 C ATOM 1373 O LEU A 85 -2.054 3.064 -1.784 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.184 0.806 -1.344 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.290 0.928 -0.106 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.818 2.007 0.828 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -3.195 -0.407 0.617 1.00 0.00 C ATOM 0 H LEU A 85 -5.018 0.694 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.667 2.835 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.212 0.652 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.890 -0.085 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.289 1.214 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.171 2.080 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.833 2.964 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.829 1.751 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.556 -0.301 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.190 -0.723 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.771 -1.154 -0.053 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.219 2.025 -3.788 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.863 2.363 -4.186 1.00 0.00 C ATOM 1391 C ILE A 86 -0.732 3.867 -4.416 1.00 0.00 C ATOM 1392 O ILE A 86 0.212 4.498 -3.942 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.427 1.582 -5.456 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.675 0.579 -5.109 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.046 2.521 -6.562 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.181 -0.615 -4.322 1.00 0.00 C ATOM 0 H ILE A 86 -2.743 1.484 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.199 2.071 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.299 1.044 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.140 0.229 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.450 1.087 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.342 1.937 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.764 3.197 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.898 3.101 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.016 -1.283 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.258 -0.276 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.572 -1.147 -4.903 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.689 4.432 -5.146 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.684 5.860 -5.437 1.00 0.00 C ATOM 1410 C ASN A 87 -1.898 6.668 -4.163 1.00 0.00 C ATOM 1411 O ASN A 87 -1.352 7.760 -4.009 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.771 6.199 -6.459 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.441 5.684 -7.846 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.486 4.930 -8.030 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.232 6.092 -8.832 1.00 0.00 N ATOM 0 H ASN A 87 -2.477 3.922 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.712 6.120 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.719 5.772 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.905 7.280 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.059 5.780 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.013 6.718 -8.634 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.696 6.122 -3.251 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.983 6.788 -1.987 1.00 0.00 C ATOM 1424 C LEU A 88 -1.728 6.892 -1.133 1.00 0.00 C ATOM 1425 O LEU A 88 -1.504 7.901 -0.463 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.079 6.036 -1.228 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.241 6.902 -0.740 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -4.726 8.066 0.093 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -6.057 7.409 -1.920 1.00 0.00 C ATOM 0 H LEU A 88 -3.156 5.219 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.333 7.797 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.476 5.254 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.629 5.541 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.887 6.290 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.567 8.671 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.183 7.683 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.058 8.679 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.880 8.024 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.420 8.005 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.456 6.562 -2.477 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.906 5.848 -1.161 1.00 0.00 N ATOM 1442 CA LEU A 89 0.326 5.840 -0.387 1.00 0.00 C ATOM 1443 C LEU A 89 1.349 6.786 -1.003 1.00 0.00 C ATOM 1444 O LEU A 89 2.178 7.367 -0.302 1.00 0.00 O ATOM 1445 CB LEU A 89 0.893 4.423 -0.303 1.00 0.00 C ATOM 1446 CG LEU A 89 0.796 3.784 1.079 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.718 2.269 0.965 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.980 4.203 1.937 1.00 0.00 C ATOM 0 H LEU A 89 -1.071 5.003 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 89 0.102 6.184 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.367 3.792 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.940 4.445 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.118 4.132 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.649 1.832 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.163 1.993 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.612 1.895 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.899 3.740 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.906 3.882 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.985 5.288 2.046 1.00 0.00 H new ATOM 1460 N ALA A 90 1.275 6.946 -2.318 1.00 0.00 N ATOM 1461 CA ALA A 90 2.183 7.831 -3.033 1.00 0.00 C ATOM 1462 C ALA A 90 1.476 9.122 -3.437 1.00 0.00 C ATOM 1463 O ALA A 90 1.932 9.835 -4.332 1.00 0.00 O ATOM 1464 CB ALA A 90 2.750 7.130 -4.258 1.00 0.00 C ATOM 0 H ALA A 90 0.594 6.473 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 90 3.006 8.088 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.427 7.804 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.294 6.238 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.935 6.844 -4.923 1.00 0.00 H new ATOM 1470 N GLU A 91 0.359 9.418 -2.774 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.407 10.623 -3.070 1.00 0.00 C ATOM 1472 C GLU A 91 0.095 11.804 -2.243 1.00 0.00 C ATOM 1473 O GLU A 91 0.306 12.897 -2.768 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.895 10.387 -2.797 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.795 10.788 -3.954 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.602 9.909 -5.174 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -1.502 9.946 -5.764 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.552 9.185 -5.540 1.00 0.00 O ATOM 0 H GLU A 91 -0.033 8.840 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.272 10.860 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.052 9.332 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.187 10.948 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.836 10.737 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.595 11.825 -4.223 1.00 0.00 H new ATOM 1485 N ASN A 92 0.282 11.576 -0.947 1.00 0.00 N ATOM 1486 CA ASN A 92 0.756 12.623 -0.050 1.00 0.00 C ATOM 1487 C ASN A 92 2.177 12.339 0.438 1.00 0.00 C ATOM 1488 O ASN A 92 2.660 12.985 1.368 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.186 12.762 1.147 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.339 13.706 0.869 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.301 14.878 1.244 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.372 13.200 0.207 1.00 0.00 N ATOM 0 H ASN A 92 0.113 10.677 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 92 0.769 13.558 -0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.579 11.781 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.376 13.123 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.176 13.788 -0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.361 12.223 -0.085 1.00 0.00 H new ATOM 1499 N GLY A 93 2.841 11.373 -0.191 1.00 0.00 N ATOM 1500 CA GLY A 93 4.195 11.032 0.202 1.00 0.00 C ATOM 1501 C GLY A 93 4.236 10.170 1.447 1.00 0.00 C ATOM 1502 O GLY A 93 5.097 10.351 2.308 1.00 0.00 O ATOM 0 H GLY A 93 2.466 10.822 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.686 10.506 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.760 11.947 0.378 1.00 0.00 H new ATOM 1506 N ARG A 94 3.302 9.230 1.543 1.00 0.00 N ATOM 1507 CA ARG A 94 3.233 8.337 2.694 1.00 0.00 C ATOM 1508 C ARG A 94 4.290 7.236 2.608 1.00 0.00 C ATOM 1509 O ARG A 94 4.437 6.438 3.534 1.00 0.00 O ATOM 1510 CB ARG A 94 1.840 7.714 2.799 1.00 0.00 C ATOM 1511 CG ARG A 94 0.762 8.702 3.213 1.00 0.00 C ATOM 1512 CD ARG A 94 1.104 9.380 4.531 1.00 0.00 C ATOM 1513 NE ARG A 94 1.773 10.662 4.330 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.138 11.790 4.019 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.181 11.797 3.872 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.823 12.913 3.856 1.00 0.00 N ATOM 0 H ARG A 94 2.583 9.067 0.838 1.00 0.00 H new ATOM 0 HA ARG A 94 3.431 8.929 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.572 7.279 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.870 6.898 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.640 9.456 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.192 8.183 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.191 9.534 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.746 8.725 5.120 1.00 0.00 H new ATOM 0 HE ARG A 94 2.787 10.695 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.713 10.936 3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.663 12.664 3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.837 12.913 3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.336 13.777 3.618 1.00 0.00 H new ATOM 1530 N LEU A 95 5.028 7.194 1.500 1.00 0.00 N ATOM 1531 CA LEU A 95 6.067 6.187 1.316 1.00 0.00 C ATOM 1532 C LEU A 95 7.252 6.471 2.229 1.00 0.00 C ATOM 1533 O LEU A 95 8.346 6.808 1.776 1.00 0.00 O ATOM 1534 CB LEU A 95 6.518 6.141 -0.145 1.00 0.00 C ATOM 1535 CG LEU A 95 5.385 6.139 -1.172 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.946 6.228 -2.584 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.528 4.891 -1.016 1.00 0.00 C ATOM 0 H LEU A 95 4.925 7.843 0.720 1.00 0.00 H new ATOM 0 HA LEU A 95 5.652 5.214 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.161 6.999 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.125 5.248 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 95 4.757 7.012 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.126 6.225 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.519 7.149 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.596 5.373 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.726 4.905 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.145 4.005 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.098 4.868 -0.015 1.00 0.00 H new ATOM 1549 N THR A 96 7.009 6.321 3.521 1.00 0.00 N ATOM 1550 CA THR A 96 8.020 6.542 4.544 1.00 0.00 C ATOM 1551 C THR A 96 7.605 5.815 5.812 1.00 0.00 C ATOM 1552 O THR A 96 8.420 5.179 6.481 1.00 0.00 O ATOM 1553 CB THR A 96 8.191 8.036 4.822 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.974 8.604 5.273 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.644 8.823 3.611 1.00 0.00 C ATOM 0 H THR A 96 6.101 6.041 3.892 1.00 0.00 H new ATOM 0 HA THR A 96 8.977 6.155 4.194 1.00 0.00 H new ATOM 0 HB THR A 96 8.965 8.101 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.008 8.721 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.745 9.875 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.606 8.441 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.908 8.720 2.814 1.00 0.00 H new ATOM 1563 N ASN A 97 6.314 5.897 6.115 1.00 0.00 N ATOM 1564 CA ASN A 97 5.749 5.235 7.279 1.00 0.00 C ATOM 1565 C ASN A 97 4.835 4.093 6.835 1.00 0.00 C ATOM 1566 O ASN A 97 4.015 3.606 7.614 1.00 0.00 O ATOM 1567 CB ASN A 97 4.959 6.228 8.144 1.00 0.00 C ATOM 1568 CG ASN A 97 5.348 7.676 7.898 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.646 7.932 7.795 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 4.489 8.552 7.801 1.00 0.00 N flip ATOM 0 H ASN A 97 5.636 6.422 5.563 1.00 0.00 H new ATOM 0 HA ASN A 97 6.568 4.833 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.894 6.106 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.117 5.990 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.502 8.310 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.764 9.520 7.635 1.00 0.00 H new ATOM 1577 N THR A 98 4.979 3.677 5.570 1.00 0.00 N ATOM 1578 CA THR A 98 4.168 2.599 5.002 1.00 0.00 C ATOM 1579 C THR A 98 3.925 1.472 6.006 1.00 0.00 C ATOM 1580 O THR A 98 2.785 1.062 6.220 1.00 0.00 O ATOM 1581 CB THR A 98 4.842 2.037 3.747 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.826 2.934 3.261 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.872 1.767 2.620 1.00 0.00 C ATOM 0 H THR A 98 5.655 4.076 4.919 1.00 0.00 H new ATOM 0 HA THR A 98 3.199 3.025 4.741 1.00 0.00 H new ATOM 0 HB THR A 98 5.288 1.092 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.902 2.840 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.413 1.370 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.128 1.041 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.374 2.695 2.338 1.00 0.00 H new ATOM 1591 N PRO A 99 4.991 0.951 6.638 1.00 0.00 N ATOM 1592 CA PRO A 99 4.871 -0.131 7.619 1.00 0.00 C ATOM 1593 C PRO A 99 3.768 0.133 8.636 1.00 0.00 C ATOM 1594 O PRO A 99 3.039 -0.779 9.026 1.00 0.00 O ATOM 1595 CB PRO A 99 6.242 -0.142 8.295 1.00 0.00 C ATOM 1596 CG PRO A 99 7.176 0.372 7.255 1.00 0.00 C ATOM 1597 CD PRO A 99 6.394 1.372 6.447 1.00 0.00 C ATOM 0 HA PRO A 99 4.603 -1.081 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.251 0.489 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.519 -1.147 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.049 0.838 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.541 -0.439 6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.559 2.390 6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.680 1.349 5.395 1.00 0.00 H new ATOM 1605 N ALA A 100 3.642 1.388 9.054 1.00 0.00 N ATOM 1606 CA ALA A 100 2.616 1.770 10.014 1.00 0.00 C ATOM 1607 C ALA A 100 1.227 1.612 9.407 1.00 0.00 C ATOM 1608 O ALA A 100 0.247 1.384 10.117 1.00 0.00 O ATOM 1609 CB ALA A 100 2.833 3.203 10.479 1.00 0.00 C ATOM 0 H ALA A 100 4.237 2.156 8.743 1.00 0.00 H new ATOM 0 HA ALA A 100 2.690 1.109 10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.058 3.474 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.811 3.288 10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.785 3.875 9.622 1.00 0.00 H new ATOM 1615 N VAL A 101 1.152 1.731 8.083 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.111 1.597 7.370 1.00 0.00 C ATOM 1617 C VAL A 101 -0.627 0.164 7.437 1.00 0.00 C ATOM 1618 O VAL A 101 -1.816 -0.069 7.651 1.00 0.00 O ATOM 1619 CB VAL A 101 0.035 2.010 5.891 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.306 1.944 5.173 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.635 3.404 5.785 1.00 0.00 C ATOM 0 H VAL A 101 1.955 1.921 7.483 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.825 2.261 7.857 1.00 0.00 H new ATOM 0 HB VAL A 101 0.711 1.306 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.176 2.240 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.692 0.925 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.011 2.620 5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.731 3.680 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.014 4.119 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.619 3.413 6.254 1.00 0.00 H new ATOM 1631 N ILE A 102 0.276 -0.794 7.254 1.00 0.00 N ATOM 1632 CA ILE A 102 -0.089 -2.204 7.293 1.00 0.00 C ATOM 1633 C ILE A 102 -0.611 -2.603 8.672 1.00 0.00 C ATOM 1634 O ILE A 102 -1.310 -3.607 8.813 1.00 0.00 O ATOM 1635 CB ILE A 102 1.108 -3.104 6.928 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.743 -2.643 5.614 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.669 -4.559 6.829 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.255 -2.673 5.630 1.00 0.00 C ATOM 0 H ILE A 102 1.265 -0.619 7.077 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.879 -2.345 6.556 1.00 0.00 H new ATOM 0 HB ILE A 102 1.855 -3.023 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.384 -3.278 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.410 -1.628 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.526 -5.181 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.262 -4.882 7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.096 -4.657 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.636 -2.334 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.624 -2.016 6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.597 -3.691 5.817 1.00 0.00 H new ATOM 1650 N SER A 103 -0.268 -1.814 9.686 1.00 0.00 N ATOM 1651 CA SER A 103 -0.701 -2.091 11.051 1.00 0.00 C ATOM 1652 C SER A 103 -2.208 -1.900 11.201 1.00 0.00 C ATOM 1653 O SER A 103 -2.848 -2.570 12.011 1.00 0.00 O ATOM 1654 CB SER A 103 0.040 -1.187 12.037 1.00 0.00 C ATOM 1655 OG SER A 103 -0.555 0.099 12.097 1.00 0.00 O ATOM 0 H SER A 103 0.308 -0.978 9.588 1.00 0.00 H new ATOM 0 HA SER A 103 -0.465 -3.132 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.032 -1.641 13.028 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.084 -1.095 11.737 1.00 0.00 H new ATOM 0 HG SER A 103 0.004 0.741 11.612 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.771 -0.989 10.413 1.00 0.00 N ATOM 1662 CA ALA A 104 -4.204 -0.726 10.464 1.00 0.00 C ATOM 1663 C ALA A 104 -4.978 -1.826 9.747 1.00 0.00 C ATOM 1664 O ALA A 104 -6.138 -2.094 10.063 1.00 0.00 O ATOM 1665 CB ALA A 104 -4.514 0.631 9.849 1.00 0.00 C ATOM 0 H ALA A 104 -2.260 -0.424 9.735 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.516 -0.714 11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.588 0.814 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.990 1.410 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.187 0.642 8.809 1.00 0.00 H new ATOM 1671 N PHE A 105 -4.323 -2.458 8.781 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.932 -3.532 8.009 1.00 0.00 C ATOM 1673 C PHE A 105 -5.061 -4.799 8.841 1.00 0.00 C ATOM 1674 O PHE A 105 -6.055 -5.517 8.745 1.00 0.00 O ATOM 1675 CB PHE A 105 -4.083 -3.823 6.770 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.861 -4.349 5.598 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.145 -5.703 5.479 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.292 -3.491 4.604 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.848 -6.182 4.393 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.992 -3.966 3.516 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.270 -5.312 3.411 1.00 0.00 C ATOM 0 H PHE A 105 -3.363 -2.242 8.513 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.930 -3.211 7.709 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.572 -2.908 6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.312 -4.547 7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.812 -6.388 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.078 -2.435 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.067 -7.236 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.322 -3.284 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.819 -5.685 2.559 1.00 0.00 H new ATOM 1691 N SER A 106 -4.041 -5.078 9.645 1.00 0.00 N ATOM 1692 CA SER A 106 -4.035 -6.273 10.476 1.00 0.00 C ATOM 1693 C SER A 106 -4.922 -6.124 11.709 1.00 0.00 C ATOM 1694 O SER A 106 -5.071 -7.066 12.487 1.00 0.00 O ATOM 1695 CB SER A 106 -2.606 -6.622 10.892 1.00 0.00 C ATOM 1696 OG SER A 106 -1.676 -6.233 9.896 1.00 0.00 O ATOM 0 H SER A 106 -3.210 -4.494 9.738 1.00 0.00 H new ATOM 0 HA SER A 106 -4.446 -7.085 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.366 -6.125 11.832 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.527 -7.695 11.069 1.00 0.00 H new ATOM 0 HG SER A 106 -0.769 -6.465 10.186 1.00 0.00 H new ATOM 1702 N THR A 107 -5.528 -4.955 11.879 1.00 0.00 N ATOM 1703 CA THR A 107 -6.416 -4.727 13.010 1.00 0.00 C ATOM 1704 C THR A 107 -7.853 -4.703 12.535 1.00 0.00 C ATOM 1705 O THR A 107 -8.738 -5.280 13.168 1.00 0.00 O ATOM 1706 CB THR A 107 -6.064 -3.423 13.729 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.660 -3.236 13.769 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.576 -3.366 15.151 1.00 0.00 C ATOM 0 H THR A 107 -5.422 -4.157 11.253 1.00 0.00 H new ATOM 0 HA THR A 107 -6.291 -5.543 13.722 1.00 0.00 H new ATOM 0 HB THR A 107 -6.551 -2.636 13.154 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.358 -2.847 12.922 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.292 -2.415 15.602 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.662 -3.457 15.151 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.144 -4.184 15.726 1.00 0.00 H new ATOM 1716 N MET A 108 -8.081 -4.069 11.393 1.00 0.00 N ATOM 1717 CA MET A 108 -9.411 -4.026 10.824 1.00 0.00 C ATOM 1718 C MET A 108 -9.732 -5.379 10.212 1.00 0.00 C ATOM 1719 O MET A 108 -10.898 -5.721 10.012 1.00 0.00 O ATOM 1720 CB MET A 108 -9.519 -2.927 9.773 1.00 0.00 C ATOM 1721 CG MET A 108 -10.949 -2.504 9.481 1.00 0.00 C ATOM 1722 SD MET A 108 -11.740 -1.707 10.892 1.00 0.00 S ATOM 1723 CE MET A 108 -13.468 -2.009 10.527 1.00 0.00 C ATOM 0 H MET A 108 -7.367 -3.583 10.851 1.00 0.00 H new ATOM 0 HA MET A 108 -10.129 -3.801 11.612 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.953 -2.058 10.108 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.055 -3.272 8.849 1.00 0.00 H new ATOM 0 HG2 MET A 108 -10.955 -1.820 8.632 1.00 0.00 H new ATOM 0 HG3 MET A 108 -11.530 -3.379 9.190 1.00 0.00 H new ATOM 0 HE1 MET A 108 -14.032 -2.065 11.458 1.00 0.00 H new ATOM 0 HE2 MET A 108 -13.858 -1.196 9.915 1.00 0.00 H new ATOM 0 HE3 MET A 108 -13.567 -2.950 9.986 1.00 0.00 H new ATOM 1733 N MET A 109 -8.685 -6.163 9.932 1.00 0.00 N ATOM 1734 CA MET A 109 -8.870 -7.485 9.367 1.00 0.00 C ATOM 1735 C MET A 109 -9.722 -8.324 10.308 1.00 0.00 C ATOM 1736 O MET A 109 -10.583 -9.089 9.873 1.00 0.00 O ATOM 1737 CB MET A 109 -7.518 -8.174 9.135 1.00 0.00 C ATOM 1738 CG MET A 109 -6.819 -8.602 10.416 1.00 0.00 C ATOM 1739 SD MET A 109 -5.319 -9.554 10.104 1.00 0.00 S ATOM 1740 CE MET A 109 -5.969 -11.222 10.116 1.00 0.00 C ATOM 0 H MET A 109 -7.712 -5.899 10.089 1.00 0.00 H new ATOM 0 HA MET A 109 -9.373 -7.386 8.405 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.671 -9.051 8.505 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.865 -7.496 8.585 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.568 -7.717 11.001 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.505 -9.199 11.018 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.159 -11.929 9.936 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.423 -11.429 11.085 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.721 -11.325 9.334 1.00 0.00 H new ATOM 1750 N SER A 110 -9.477 -8.165 11.610 1.00 0.00 N ATOM 1751 CA SER A 110 -10.228 -8.902 12.619 1.00 0.00 C ATOM 1752 C SER A 110 -11.726 -8.630 12.483 1.00 0.00 C ATOM 1753 O SER A 110 -12.554 -9.423 12.933 1.00 0.00 O ATOM 1754 CB SER A 110 -9.751 -8.519 14.022 1.00 0.00 C ATOM 1755 OG SER A 110 -8.886 -9.507 14.554 1.00 0.00 O ATOM 0 H SER A 110 -8.768 -7.535 11.986 1.00 0.00 H new ATOM 0 HA SER A 110 -10.053 -9.967 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.234 -7.560 13.984 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.611 -8.392 14.680 1.00 0.00 H new ATOM 0 HG SER A 110 -8.594 -9.238 15.450 1.00 0.00 H new ATOM 1761 N VAL A 111 -12.064 -7.506 11.858 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.457 -7.129 11.660 1.00 0.00 C ATOM 1763 C VAL A 111 -14.077 -7.901 10.497 1.00 0.00 C ATOM 1764 O VAL A 111 -15.218 -8.356 10.583 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.592 -5.614 11.399 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -15.052 -5.225 11.214 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.964 -4.821 12.534 1.00 0.00 C ATOM 0 H VAL A 111 -11.390 -6.840 11.480 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.991 -7.380 12.577 1.00 0.00 H new ATOM 0 HB VAL A 111 -13.060 -5.377 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -15.123 -4.153 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.468 -5.766 10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.613 -5.477 12.114 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -13.068 -3.755 12.334 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.466 -5.065 13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.907 -5.074 12.613 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.321 -8.047 9.411 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.807 -8.768 8.239 1.00 0.00 C ATOM 1779 C HIS A 112 -13.800 -10.275 8.488 1.00 0.00 C ATOM 1780 O HIS A 112 -14.619 -11.009 7.934 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.961 -8.423 7.004 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.663 -9.165 6.920 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.398 -10.481 6.750 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.443 -8.547 7.030 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -10.036 -10.631 6.768 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.481 -9.449 6.938 1.00 0.00 N flip ATOM 0 H HIS A 112 -12.375 -7.678 9.319 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.835 -8.458 8.051 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.545 -8.633 6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.755 -7.353 7.007 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -12.086 -11.225 6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.292 -7.487 7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.505 -11.565 6.660 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.870 -10.726 9.323 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.756 -12.144 9.645 1.00 0.00 C ATOM 1797 C ARG A 113 -13.732 -12.530 10.752 1.00 0.00 C ATOM 1798 O ARG A 113 -14.208 -13.664 10.805 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.325 -12.478 10.072 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.869 -13.862 9.641 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.360 -13.923 9.467 1.00 0.00 C ATOM 1802 NE ARG A 113 -8.963 -13.769 8.070 1.00 0.00 N ATOM 1803 CZ ARG A 113 -7.737 -14.018 7.616 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -6.786 -14.432 8.445 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -7.459 -13.854 6.330 1.00 0.00 N ATOM 0 H ARG A 113 -12.185 -10.131 9.789 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.004 -12.715 8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.647 -11.734 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.251 -12.402 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.181 -14.596 10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.355 -14.131 8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.894 -13.139 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.990 -14.875 9.846 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.667 -13.452 7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.993 -14.561 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.848 -14.621 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.185 -13.537 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.519 -14.045 5.983 1.00 0.00 H new