USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 40 GLN : amide:sc= -4.98! K(o=-4.3!,f=0.16) USER MOD Set 1.2: A 44 SER OG : rot 87:sc= 0.696 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -167:sc= 1.43 (180deg=-1.02!) USER MOD Set 2.2: A 21 SER OG : rot -150:sc= 0.366 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.0225 (180deg=-2.66!) USER MOD Single : A 24 SER OG : rot -125:sc= 1.01! USER MOD Single : A 27 ASN : amide:sc= -2.82 X(o=-2.8,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 106:sc= -1.26 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -8.51! C(o=-8.5!,f=-15!) USER MOD Single : A 64 ASN : amide:sc=-0.00822 X(o=-0.0082,f=-0.0082) USER MOD Single : A 67 MET CE :methyl 165:sc= -0.0421 (180deg=-0.352) USER MOD Single : A 70 HIS : no HE2:sc= 0.128 K(o=2.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 202 N VAL A 14 -4.594 5.617 -2.837 1.00 0.00 N ATOM 203 CA VAL A 14 -3.955 4.556 -2.094 1.00 0.00 C ATOM 204 C VAL A 14 -2.579 4.271 -2.649 1.00 0.00 C ATOM 205 O VAL A 14 -2.431 3.651 -3.699 1.00 0.00 O ATOM 206 CB VAL A 14 -4.792 3.258 -2.111 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.174 2.210 -1.205 1.00 0.00 C ATOM 208 CG2 VAL A 14 -6.227 3.534 -1.694 1.00 0.00 C ATOM 0 HA VAL A 14 -3.870 4.896 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.798 2.875 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.779 1.304 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.165 1.983 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.134 2.590 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.797 2.605 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.240 3.946 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.675 4.249 -2.384 1.00 0.00 H new ATOM 218 N VAL A 15 -1.573 4.739 -1.945 1.00 0.00 N ATOM 219 CA VAL A 15 -0.210 4.444 -2.310 1.00 0.00 C ATOM 220 C VAL A 15 0.248 3.169 -1.616 1.00 0.00 C ATOM 221 O VAL A 15 0.304 3.090 -0.383 1.00 0.00 O ATOM 222 CB VAL A 15 0.739 5.624 -1.994 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.654 6.040 -0.534 1.00 0.00 C ATOM 224 CG2 VAL A 15 2.168 5.276 -2.374 1.00 0.00 C ATOM 0 H VAL A 15 -1.675 5.325 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.173 4.291 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 15 0.417 6.476 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.335 6.871 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.365 6.349 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.931 5.198 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.821 6.118 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.492 4.401 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.218 5.058 -3.441 1.00 0.00 H new ATOM 234 N LEU A 16 0.551 2.168 -2.419 1.00 0.00 N ATOM 235 CA LEU A 16 0.959 0.877 -1.907 1.00 0.00 C ATOM 236 C LEU A 16 2.465 0.746 -2.043 1.00 0.00 C ATOM 237 O LEU A 16 3.005 0.766 -3.143 1.00 0.00 O ATOM 238 CB LEU A 16 0.266 -0.248 -2.685 1.00 0.00 C ATOM 239 CG LEU A 16 0.001 -1.534 -1.904 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.488 -2.626 -2.829 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.243 -1.994 -1.174 1.00 0.00 C ATOM 0 H LEU A 16 0.521 2.227 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 16 0.674 0.798 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.685 0.129 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.877 -0.493 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.773 -1.321 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.671 -3.534 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.413 -2.308 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.267 -2.824 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.025 -2.911 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.040 -2.182 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.561 -1.221 -0.474 1.00 0.00 H new ATOM 253 N LYS A 17 3.143 0.623 -0.922 1.00 0.00 N ATOM 254 CA LYS A 17 4.584 0.508 -0.934 1.00 0.00 C ATOM 255 C LYS A 17 5.004 -0.914 -0.574 1.00 0.00 C ATOM 256 O LYS A 17 4.405 -1.547 0.296 1.00 0.00 O ATOM 257 CB LYS A 17 5.205 1.542 0.015 1.00 0.00 C ATOM 258 CG LYS A 17 4.752 2.965 -0.280 1.00 0.00 C ATOM 259 CD LYS A 17 5.202 3.922 0.801 1.00 0.00 C ATOM 260 CE LYS A 17 4.740 5.346 0.512 1.00 0.00 C ATOM 261 NZ LYS A 17 5.404 5.939 -0.679 1.00 0.00 N ATOM 0 H LYS A 17 2.720 0.600 0.006 1.00 0.00 H new ATOM 0 HA LYS A 17 4.953 0.716 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.943 1.288 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.291 1.489 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.154 3.285 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.666 2.993 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.806 3.598 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.289 3.900 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.661 5.348 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.940 5.971 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.781 6.877 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.183 5.322 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.713 6.034 -1.450 1.00 0.00 H new ATOM 275 N LEU A 18 6.035 -1.393 -1.250 1.00 0.00 N ATOM 276 CA LEU A 18 6.536 -2.751 -1.086 1.00 0.00 C ATOM 277 C LEU A 18 7.758 -2.709 -0.188 1.00 0.00 C ATOM 278 O LEU A 18 8.701 -1.969 -0.449 1.00 0.00 O ATOM 279 CB LEU A 18 6.895 -3.311 -2.476 1.00 0.00 C ATOM 280 CG LEU A 18 8.193 -4.128 -2.600 1.00 0.00 C ATOM 281 CD1 LEU A 18 8.093 -5.477 -1.906 1.00 0.00 C ATOM 282 CD2 LEU A 18 8.538 -4.321 -4.066 1.00 0.00 C ATOM 0 H LEU A 18 6.555 -0.845 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 18 5.785 -3.396 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.069 -3.940 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.958 -2.473 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 18 8.984 -3.567 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.033 -6.016 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.889 -5.327 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.285 -6.057 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.458 -4.900 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.727 -4.853 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.677 -3.348 -4.538 1.00 0.00 H new ATOM 294 N TRP A 19 7.715 -3.470 0.885 1.00 0.00 N ATOM 295 CA TRP A 19 8.789 -3.479 1.853 1.00 0.00 C ATOM 296 C TRP A 19 9.431 -4.853 1.902 1.00 0.00 C ATOM 297 O TRP A 19 9.174 -5.694 1.047 1.00 0.00 O ATOM 298 CB TRP A 19 8.263 -3.134 3.240 1.00 0.00 C ATOM 299 CG TRP A 19 7.283 -2.013 3.279 1.00 0.00 C ATOM 300 CD1 TRP A 19 5.934 -2.136 3.389 1.00 0.00 C ATOM 301 CD2 TRP A 19 7.553 -0.610 3.213 1.00 0.00 C ATOM 302 NE1 TRP A 19 5.358 -0.905 3.473 1.00 0.00 N ATOM 303 CE2 TRP A 19 6.324 0.045 3.351 1.00 0.00 C ATOM 304 CE3 TRP A 19 8.706 0.160 3.067 1.00 0.00 C ATOM 305 CZ2 TRP A 19 6.208 1.423 3.363 1.00 0.00 C ATOM 306 CZ3 TRP A 19 8.586 1.538 3.063 1.00 0.00 C ATOM 307 CH2 TRP A 19 7.346 2.155 3.215 1.00 0.00 C ATOM 0 H TRP A 19 6.941 -4.095 1.109 1.00 0.00 H new ATOM 0 HA TRP A 19 9.525 -2.734 1.550 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.795 -4.021 3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.108 -2.881 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.397 -3.073 3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.363 -0.724 3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.673 -0.310 2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.248 1.902 3.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.470 2.147 2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.287 3.233 3.215 1.00 0.00 H new ATOM 318 N LYS A 20 10.252 -5.093 2.908 1.00 0.00 N ATOM 319 CA LYS A 20 10.885 -6.389 3.045 1.00 0.00 C ATOM 320 C LYS A 20 9.936 -7.402 3.691 1.00 0.00 C ATOM 321 O LYS A 20 9.980 -8.591 3.377 1.00 0.00 O ATOM 322 CB LYS A 20 12.209 -6.266 3.821 1.00 0.00 C ATOM 323 CG LYS A 20 12.087 -5.759 5.261 1.00 0.00 C ATOM 324 CD LYS A 20 11.809 -6.900 6.238 1.00 0.00 C ATOM 325 CE LYS A 20 12.011 -6.477 7.685 1.00 0.00 C ATOM 326 NZ LYS A 20 10.939 -5.567 8.161 1.00 0.00 N ATOM 0 H LYS A 20 10.493 -4.417 3.633 1.00 0.00 H new ATOM 0 HA LYS A 20 11.121 -6.764 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.691 -7.243 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.870 -5.594 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.008 -5.250 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.285 -5.024 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.786 -7.251 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.467 -7.739 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.041 -7.363 8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.976 -5.981 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.226 -5.133 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.777 -4.822 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.062 -6.108 8.301 1.00 0.00 H new ATOM 340 N SER A 21 9.068 -6.931 4.578 1.00 0.00 N ATOM 341 CA SER A 21 8.114 -7.814 5.232 1.00 0.00 C ATOM 342 C SER A 21 6.851 -7.953 4.403 1.00 0.00 C ATOM 343 O SER A 21 6.304 -9.044 4.269 1.00 0.00 O ATOM 344 CB SER A 21 7.744 -7.295 6.621 1.00 0.00 C ATOM 345 OG SER A 21 8.883 -7.143 7.444 1.00 0.00 O ATOM 0 H SER A 21 9.006 -5.952 4.858 1.00 0.00 H new ATOM 0 HA SER A 21 8.592 -8.789 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.233 -6.337 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.044 -7.985 7.092 1.00 0.00 H new ATOM 0 HG SER A 21 8.631 -7.282 8.381 1.00 0.00 H new ATOM 351 N GLY A 22 6.394 -6.845 3.844 1.00 0.00 N ATOM 352 CA GLY A 22 5.134 -6.857 3.145 1.00 0.00 C ATOM 353 C GLY A 22 4.865 -5.584 2.383 1.00 0.00 C ATOM 354 O GLY A 22 5.759 -5.017 1.769 1.00 0.00 O ATOM 0 H GLY A 22 6.872 -5.944 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.119 -7.698 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.330 -7.020 3.862 1.00 0.00 H new ATOM 358 N PHE A 23 3.628 -5.137 2.440 1.00 0.00 N ATOM 359 CA PHE A 23 3.165 -4.026 1.632 1.00 0.00 C ATOM 360 C PHE A 23 2.244 -3.129 2.450 1.00 0.00 C ATOM 361 O PHE A 23 1.401 -3.614 3.197 1.00 0.00 O ATOM 362 CB PHE A 23 2.437 -4.586 0.406 1.00 0.00 C ATOM 363 CG PHE A 23 1.247 -5.432 0.768 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.391 -6.784 1.031 1.00 0.00 C ATOM 365 CD2 PHE A 23 -0.011 -4.866 0.874 1.00 0.00 C ATOM 366 CE1 PHE A 23 0.307 -7.553 1.389 1.00 0.00 C ATOM 367 CE2 PHE A 23 -1.096 -5.630 1.237 1.00 0.00 C ATOM 368 CZ PHE A 23 -0.938 -6.976 1.493 1.00 0.00 C ATOM 0 H PHE A 23 2.913 -5.534 3.049 1.00 0.00 H new ATOM 0 HA PHE A 23 4.011 -3.421 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.110 -3.760 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.134 -5.181 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.367 -7.241 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.143 -3.814 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.433 -8.607 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.072 -5.175 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.790 -7.576 1.775 1.00 0.00 H new ATOM 378 N SER A 24 2.418 -1.829 2.337 1.00 0.00 N ATOM 379 CA SER A 24 1.567 -0.901 3.059 1.00 0.00 C ATOM 380 C SER A 24 0.765 -0.060 2.098 1.00 0.00 C ATOM 381 O SER A 24 1.305 0.494 1.139 1.00 0.00 O ATOM 382 CB SER A 24 2.400 0.013 3.945 1.00 0.00 C ATOM 383 OG SER A 24 3.250 0.822 3.157 1.00 0.00 O ATOM 0 H SER A 24 3.134 -1.391 1.758 1.00 0.00 H new ATOM 0 HA SER A 24 0.889 -1.486 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.745 0.642 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.994 -0.584 4.637 1.00 0.00 H new ATOM 0 HG SER A 24 4.177 0.712 3.456 1.00 0.00 H new ATOM 389 N LEU A 25 -0.509 0.062 2.379 1.00 0.00 N ATOM 390 CA LEU A 25 -1.394 0.851 1.558 1.00 0.00 C ATOM 391 C LEU A 25 -1.670 2.151 2.288 1.00 0.00 C ATOM 392 O LEU A 25 -1.208 2.321 3.414 1.00 0.00 O ATOM 393 CB LEU A 25 -2.704 0.098 1.287 1.00 0.00 C ATOM 394 CG LEU A 25 -2.558 -1.371 0.861 1.00 0.00 C ATOM 395 CD1 LEU A 25 -2.378 -2.278 2.074 1.00 0.00 C ATOM 396 CD2 LEU A 25 -3.744 -1.816 0.017 1.00 0.00 C ATOM 0 H LEU A 25 -0.960 -0.381 3.180 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.928 1.050 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.315 0.136 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.251 0.629 0.508 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.661 -1.453 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.277 -3.312 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.482 -1.982 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.246 -2.189 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.615 -2.859 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.662 -1.710 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.806 -1.198 -0.879 1.00 0.00 H new ATOM 408 N ASP A 26 -2.354 3.089 1.661 1.00 0.00 N ATOM 409 CA ASP A 26 -2.774 4.300 2.363 1.00 0.00 C ATOM 410 C ASP A 26 -3.652 3.923 3.553 1.00 0.00 C ATOM 411 O ASP A 26 -3.568 4.512 4.630 1.00 0.00 O ATOM 412 CB ASP A 26 -3.534 5.227 1.418 1.00 0.00 C ATOM 413 CG ASP A 26 -3.889 6.550 2.067 1.00 0.00 C ATOM 414 OD1 ASP A 26 -3.023 7.452 2.087 1.00 0.00 O ATOM 415 OD2 ASP A 26 -5.025 6.694 2.554 1.00 0.00 O ATOM 0 H ASP A 26 -2.631 3.044 0.680 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.890 4.827 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.929 5.412 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.446 4.733 1.085 1.00 0.00 H new ATOM 420 N ASN A 27 -4.449 2.887 3.341 1.00 0.00 N ATOM 421 CA ASN A 27 -5.385 2.375 4.335 1.00 0.00 C ATOM 422 C ASN A 27 -4.706 1.450 5.354 1.00 0.00 C ATOM 423 O ASN A 27 -5.122 0.301 5.534 1.00 0.00 O ATOM 424 CB ASN A 27 -6.496 1.597 3.615 1.00 0.00 C ATOM 425 CG ASN A 27 -5.920 0.702 2.524 1.00 0.00 C ATOM 426 OD1 ASN A 27 -5.867 1.087 1.359 1.00 0.00 O ATOM 427 ND2 ASN A 27 -5.440 -0.478 2.901 1.00 0.00 N ATOM 0 H ASN A 27 -4.465 2.370 2.462 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.790 3.227 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.045 0.990 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.209 2.296 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.010 -1.097 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.501 -0.765 3.878 1.00 0.00 H new ATOM 434 N GLY A 28 -3.666 1.931 6.013 1.00 0.00 N ATOM 435 CA GLY A 28 -3.056 1.154 7.074 1.00 0.00 C ATOM 436 C GLY A 28 -1.551 1.084 6.981 1.00 0.00 C ATOM 437 O GLY A 28 -0.915 1.886 6.295 1.00 0.00 O ATOM 0 H GLY A 28 -3.234 2.838 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.333 1.587 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.461 0.142 7.051 1.00 0.00 H new ATOM 441 N GLU A 29 -0.984 0.110 7.671 1.00 0.00 N ATOM 442 CA GLU A 29 0.460 -0.018 7.774 1.00 0.00 C ATOM 443 C GLU A 29 1.007 -1.140 6.897 1.00 0.00 C ATOM 444 O GLU A 29 0.305 -1.676 6.035 1.00 0.00 O ATOM 445 CB GLU A 29 0.858 -0.260 9.229 1.00 0.00 C ATOM 446 CG GLU A 29 0.521 0.899 10.149 1.00 0.00 C ATOM 447 CD GLU A 29 0.965 0.658 11.574 1.00 0.00 C ATOM 448 OE1 GLU A 29 2.162 0.866 11.872 1.00 0.00 O ATOM 449 OE2 GLU A 29 0.122 0.269 12.407 1.00 0.00 O ATOM 0 H GLU A 29 -1.506 -0.609 8.172 1.00 0.00 H new ATOM 0 HA GLU A 29 0.894 0.916 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.357 -1.158 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.930 -0.452 9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.995 1.806 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.555 1.071 10.132 1.00 0.00 H new ATOM 456 N LEU A 30 2.277 -1.465 7.121 1.00 0.00 N ATOM 457 CA LEU A 30 2.975 -2.518 6.401 1.00 0.00 C ATOM 458 C LEU A 30 2.321 -3.870 6.708 1.00 0.00 C ATOM 459 O LEU A 30 2.409 -4.390 7.819 1.00 0.00 O ATOM 460 CB LEU A 30 4.471 -2.454 6.816 1.00 0.00 C ATOM 461 CG LEU A 30 5.510 -3.382 6.136 1.00 0.00 C ATOM 462 CD1 LEU A 30 6.783 -3.470 6.965 1.00 0.00 C ATOM 463 CD2 LEU A 30 4.992 -4.770 5.869 1.00 0.00 C ATOM 0 H LEU A 30 2.856 -0.996 7.818 1.00 0.00 H new ATOM 0 HA LEU A 30 2.912 -2.387 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.805 -1.428 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.518 -2.648 7.888 1.00 0.00 H new ATOM 0 HG LEU A 30 5.723 -2.925 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.497 -4.127 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.217 -2.476 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.548 -3.870 7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.772 -5.364 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.704 -5.238 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.125 -4.714 5.211 1.00 0.00 H new ATOM 475 N ARG A 31 1.644 -4.406 5.704 1.00 0.00 N ATOM 476 CA ARG A 31 1.040 -5.726 5.770 1.00 0.00 C ATOM 477 C ARG A 31 2.044 -6.778 5.307 1.00 0.00 C ATOM 478 O ARG A 31 2.321 -6.877 4.115 1.00 0.00 O ATOM 479 CB ARG A 31 -0.190 -5.772 4.859 1.00 0.00 C ATOM 480 CG ARG A 31 -1.344 -4.885 5.299 1.00 0.00 C ATOM 481 CD ARG A 31 -2.129 -5.533 6.422 1.00 0.00 C ATOM 482 NE ARG A 31 -3.385 -4.841 6.704 1.00 0.00 N ATOM 483 CZ ARG A 31 -4.505 -5.462 7.078 1.00 0.00 C ATOM 484 NH1 ARG A 31 -4.535 -6.785 7.195 1.00 0.00 N ATOM 485 NH2 ARG A 31 -5.601 -4.764 7.324 1.00 0.00 N ATOM 0 H ARG A 31 1.498 -3.932 4.813 1.00 0.00 H new ATOM 0 HA ARG A 31 0.745 -5.932 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.110 -5.481 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.543 -6.802 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.960 -3.920 5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.004 -4.694 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.341 -6.570 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.518 -5.550 7.324 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.407 -3.826 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.698 -7.333 6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.395 -7.252 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.591 -3.749 7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.456 -5.241 7.610 1.00 0.00 H new ATOM 499 N SER A 32 2.596 -7.545 6.241 1.00 0.00 N ATOM 500 CA SER A 32 3.591 -8.565 5.907 1.00 0.00 C ATOM 501 C SER A 32 2.998 -9.628 4.969 1.00 0.00 C ATOM 502 O SER A 32 1.832 -9.998 5.090 1.00 0.00 O ATOM 503 CB SER A 32 4.128 -9.204 7.189 1.00 0.00 C ATOM 504 OG SER A 32 4.547 -8.211 8.117 1.00 0.00 O ATOM 0 H SER A 32 2.374 -7.482 7.234 1.00 0.00 H new ATOM 0 HA SER A 32 4.417 -8.088 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.355 -9.826 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.965 -9.860 6.950 1.00 0.00 H new ATOM 0 HG SER A 32 4.885 -8.644 8.929 1.00 0.00 H new ATOM 510 N TYR A 33 3.821 -10.113 4.040 1.00 0.00 N ATOM 511 CA TYR A 33 3.358 -10.961 2.937 1.00 0.00 C ATOM 512 C TYR A 33 2.909 -12.353 3.392 1.00 0.00 C ATOM 513 O TYR A 33 2.204 -13.048 2.656 1.00 0.00 O ATOM 514 CB TYR A 33 4.466 -11.106 1.882 1.00 0.00 C ATOM 515 CG TYR A 33 4.767 -9.832 1.116 1.00 0.00 C ATOM 516 CD1 TYR A 33 3.760 -9.164 0.437 1.00 0.00 C ATOM 517 CD2 TYR A 33 6.057 -9.303 1.058 1.00 0.00 C ATOM 518 CE1 TYR A 33 4.017 -8.012 -0.272 1.00 0.00 C ATOM 519 CE2 TYR A 33 6.323 -8.143 0.350 1.00 0.00 C ATOM 520 CZ TYR A 33 5.289 -7.506 -0.312 1.00 0.00 C ATOM 521 OH TYR A 33 5.521 -6.358 -1.022 1.00 0.00 O ATOM 0 H TYR A 33 4.825 -9.931 4.029 1.00 0.00 H new ATOM 0 HA TYR A 33 2.487 -10.463 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.378 -11.445 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.178 -11.883 1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.754 -9.555 0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.861 -9.807 1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.217 -7.509 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.325 -7.741 0.315 1.00 0.00 H new ATOM 0 HH TYR A 33 5.645 -5.609 -0.402 1.00 0.00 H new ATOM 531 N GLN A 34 3.321 -12.767 4.584 1.00 0.00 N ATOM 532 CA GLN A 34 3.008 -14.113 5.071 1.00 0.00 C ATOM 533 C GLN A 34 1.616 -14.191 5.692 1.00 0.00 C ATOM 534 O GLN A 34 0.975 -15.243 5.668 1.00 0.00 O ATOM 535 CB GLN A 34 4.042 -14.560 6.100 1.00 0.00 C ATOM 536 CG GLN A 34 5.460 -14.630 5.557 1.00 0.00 C ATOM 537 CD GLN A 34 6.449 -15.174 6.569 1.00 0.00 C ATOM 538 OE1 GLN A 34 6.107 -16.009 7.405 1.00 0.00 O ATOM 539 NE2 GLN A 34 7.679 -14.692 6.513 1.00 0.00 N ATOM 0 H GLN A 34 3.869 -12.198 5.230 1.00 0.00 H new ATOM 0 HA GLN A 34 3.032 -14.776 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.020 -13.872 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.760 -15.542 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.473 -15.260 4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.775 -13.634 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.924 -14.000 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.383 -15.012 7.178 1.00 0.00 H new ATOM 548 N ASP A 35 1.166 -13.085 6.263 1.00 0.00 N ATOM 549 CA ASP A 35 -0.117 -13.042 6.969 1.00 0.00 C ATOM 550 C ASP A 35 -1.289 -13.383 6.047 1.00 0.00 C ATOM 551 O ASP A 35 -1.427 -12.816 4.959 1.00 0.00 O ATOM 552 CB ASP A 35 -0.334 -11.667 7.587 1.00 0.00 C ATOM 553 CG ASP A 35 -1.652 -11.565 8.325 1.00 0.00 C ATOM 554 OD1 ASP A 35 -1.692 -11.875 9.531 1.00 0.00 O ATOM 555 OD2 ASP A 35 -2.657 -11.174 7.703 1.00 0.00 O ATOM 0 H ASP A 35 1.669 -12.198 6.254 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.079 -13.796 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.482 -11.449 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.301 -10.910 6.803 1.00 0.00 H new ATOM 560 N PRO A 36 -2.162 -14.309 6.492 1.00 0.00 N ATOM 561 CA PRO A 36 -3.297 -14.804 5.698 1.00 0.00 C ATOM 562 C PRO A 36 -4.346 -13.734 5.376 1.00 0.00 C ATOM 563 O PRO A 36 -5.140 -13.903 4.450 1.00 0.00 O ATOM 564 CB PRO A 36 -3.919 -15.888 6.589 1.00 0.00 C ATOM 565 CG PRO A 36 -2.867 -16.230 7.582 1.00 0.00 C ATOM 566 CD PRO A 36 -2.102 -14.964 7.810 1.00 0.00 C ATOM 0 HA PRO A 36 -2.957 -15.155 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.821 -15.523 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.206 -16.761 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.308 -16.594 8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.216 -17.019 7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.556 -14.351 8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.075 -15.161 8.118 1.00 0.00 H new ATOM 574 N SER A 37 -4.355 -12.634 6.121 1.00 0.00 N ATOM 575 CA SER A 37 -5.344 -11.592 5.904 1.00 0.00 C ATOM 576 C SER A 37 -4.840 -10.638 4.838 1.00 0.00 C ATOM 577 O SER A 37 -5.618 -10.033 4.101 1.00 0.00 O ATOM 578 CB SER A 37 -5.621 -10.832 7.203 1.00 0.00 C ATOM 579 OG SER A 37 -6.631 -9.851 7.026 1.00 0.00 O ATOM 0 H SER A 37 -3.693 -12.444 6.874 1.00 0.00 H new ATOM 0 HA SER A 37 -6.276 -12.050 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.926 -11.534 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.704 -10.354 7.549 1.00 0.00 H new ATOM 0 HG SER A 37 -6.786 -9.384 7.874 1.00 0.00 H new ATOM 585 N ASN A 38 -3.527 -10.522 4.763 1.00 0.00 N ATOM 586 CA ASN A 38 -2.889 -9.656 3.785 1.00 0.00 C ATOM 587 C ASN A 38 -2.847 -10.344 2.433 1.00 0.00 C ATOM 588 O ASN A 38 -2.709 -9.698 1.392 1.00 0.00 O ATOM 589 CB ASN A 38 -1.480 -9.289 4.241 1.00 0.00 C ATOM 590 CG ASN A 38 -1.449 -8.825 5.682 1.00 0.00 C ATOM 591 OD1 ASN A 38 -2.450 -8.355 6.221 1.00 0.00 O ATOM 592 ND2 ASN A 38 -0.297 -8.939 6.310 1.00 0.00 N ATOM 0 H ASN A 38 -2.877 -11.020 5.371 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.470 -8.739 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.826 -10.153 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.085 -8.502 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.212 -8.632 7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.510 -9.334 5.827 1.00 0.00 H new ATOM 599 N ALA A 39 -2.976 -11.663 2.463 1.00 0.00 N ATOM 600 CA ALA A 39 -3.078 -12.455 1.245 1.00 0.00 C ATOM 601 C ALA A 39 -4.279 -12.007 0.411 1.00 0.00 C ATOM 602 O ALA A 39 -4.278 -12.132 -0.816 1.00 0.00 O ATOM 603 CB ALA A 39 -3.180 -13.933 1.587 1.00 0.00 C ATOM 0 H ALA A 39 -3.013 -12.210 3.323 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.177 -12.299 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.256 -14.515 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.292 -14.241 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.065 -14.105 2.199 1.00 0.00 H new ATOM 609 N GLN A 40 -5.296 -11.477 1.094 1.00 0.00 N ATOM 610 CA GLN A 40 -6.465 -10.902 0.433 1.00 0.00 C ATOM 611 C GLN A 40 -6.030 -9.818 -0.538 1.00 0.00 C ATOM 612 O GLN A 40 -6.398 -9.834 -1.713 1.00 0.00 O ATOM 613 CB GLN A 40 -7.435 -10.334 1.484 1.00 0.00 C ATOM 614 CG GLN A 40 -8.669 -9.625 0.920 1.00 0.00 C ATOM 615 CD GLN A 40 -8.483 -8.122 0.747 1.00 0.00 C ATOM 616 OE1 GLN A 40 -8.715 -7.347 1.669 1.00 0.00 O ATOM 617 NE2 GLN A 40 -8.091 -7.693 -0.443 1.00 0.00 N ATOM 0 H GLN A 40 -5.331 -11.435 2.113 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.981 -11.681 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.767 -11.150 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.890 -9.632 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.921 -10.065 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.515 -9.804 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.905 -8.362 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.975 -6.694 -0.612 1.00 0.00 H new ATOM 626 N PHE A 41 -5.232 -8.881 -0.036 1.00 0.00 N ATOM 627 CA PHE A 41 -4.728 -7.789 -0.853 1.00 0.00 C ATOM 628 C PHE A 41 -3.910 -8.337 -2.003 1.00 0.00 C ATOM 629 O PHE A 41 -4.196 -8.065 -3.167 1.00 0.00 O ATOM 630 CB PHE A 41 -3.840 -6.858 -0.033 1.00 0.00 C ATOM 631 CG PHE A 41 -4.514 -6.194 1.128 1.00 0.00 C ATOM 632 CD1 PHE A 41 -5.311 -5.082 0.933 1.00 0.00 C ATOM 633 CD2 PHE A 41 -4.326 -6.664 2.419 1.00 0.00 C ATOM 634 CE1 PHE A 41 -5.911 -4.454 2.003 1.00 0.00 C ATOM 635 CE2 PHE A 41 -4.925 -6.041 3.491 1.00 0.00 C ATOM 636 CZ PHE A 41 -5.717 -4.935 3.283 1.00 0.00 C ATOM 0 H PHE A 41 -4.921 -8.858 0.935 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.587 -7.233 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.989 -7.428 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.443 -6.086 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.465 -4.702 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.702 -7.530 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.533 -3.586 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.774 -6.419 4.491 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.187 -4.443 4.121 1.00 0.00 H new ATOM 646 N LEU A 42 -2.905 -9.131 -1.651 1.00 0.00 N ATOM 647 CA LEU A 42 -1.966 -9.678 -2.618 1.00 0.00 C ATOM 648 C LEU A 42 -2.671 -10.289 -3.819 1.00 0.00 C ATOM 649 O LEU A 42 -2.358 -9.950 -4.955 1.00 0.00 O ATOM 650 CB LEU A 42 -1.067 -10.719 -1.953 1.00 0.00 C ATOM 651 CG LEU A 42 -0.015 -10.148 -1.006 1.00 0.00 C ATOM 652 CD1 LEU A 42 0.736 -11.265 -0.300 1.00 0.00 C ATOM 653 CD2 LEU A 42 0.949 -9.254 -1.770 1.00 0.00 C ATOM 0 H LEU A 42 -2.720 -9.412 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.357 -8.850 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.693 -11.418 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.562 -11.292 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.520 -9.548 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.481 -10.836 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.034 -11.868 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.232 -11.894 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.695 -8.853 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.446 -9.835 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.398 -8.433 -2.228 1.00 0.00 H new ATOM 665 N GLU A 43 -3.640 -11.160 -3.576 1.00 0.00 N ATOM 666 CA GLU A 43 -4.303 -11.846 -4.670 1.00 0.00 C ATOM 667 C GLU A 43 -5.221 -10.912 -5.452 1.00 0.00 C ATOM 668 O GLU A 43 -5.186 -10.907 -6.681 1.00 0.00 O ATOM 669 CB GLU A 43 -5.080 -13.065 -4.180 1.00 0.00 C ATOM 670 CG GLU A 43 -5.785 -13.796 -5.311 1.00 0.00 C ATOM 671 CD GLU A 43 -6.118 -15.226 -4.974 1.00 0.00 C ATOM 672 OE1 GLU A 43 -7.161 -15.464 -4.339 1.00 0.00 O ATOM 673 OE2 GLU A 43 -5.335 -16.123 -5.359 1.00 0.00 O ATOM 0 H GLU A 43 -3.979 -11.404 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.518 -12.189 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.397 -13.750 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.816 -12.750 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.703 -13.265 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.152 -13.776 -6.198 1.00 0.00 H new ATOM 680 N SER A 44 -6.030 -10.114 -4.758 1.00 0.00 N ATOM 681 CA SER A 44 -6.963 -9.221 -5.433 1.00 0.00 C ATOM 682 C SER A 44 -6.213 -8.226 -6.313 1.00 0.00 C ATOM 683 O SER A 44 -6.627 -7.941 -7.435 1.00 0.00 O ATOM 684 CB SER A 44 -7.828 -8.487 -4.409 1.00 0.00 C ATOM 685 OG SER A 44 -8.531 -9.412 -3.598 1.00 0.00 O ATOM 0 H SER A 44 -6.057 -10.069 -3.739 1.00 0.00 H new ATOM 0 HA SER A 44 -7.613 -9.818 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.201 -7.850 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.534 -7.834 -4.922 1.00 0.00 H new ATOM 0 HG SER A 44 -7.968 -9.676 -2.840 1.00 0.00 H new ATOM 691 N ILE A 45 -5.074 -7.760 -5.824 1.00 0.00 N ATOM 692 CA ILE A 45 -4.289 -6.756 -6.532 1.00 0.00 C ATOM 693 C ILE A 45 -3.519 -7.423 -7.665 1.00 0.00 C ATOM 694 O ILE A 45 -3.240 -6.819 -8.703 1.00 0.00 O ATOM 695 CB ILE A 45 -3.317 -6.040 -5.563 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.100 -5.349 -4.447 1.00 0.00 C ATOM 697 CG2 ILE A 45 -2.456 -5.023 -6.293 1.00 0.00 C ATOM 698 CD1 ILE A 45 -3.221 -4.737 -3.377 1.00 0.00 C ATOM 0 H ILE A 45 -4.670 -8.061 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.961 -6.006 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.660 -6.795 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.724 -4.569 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.771 -6.073 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.785 -4.538 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.870 -5.527 -7.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.095 -4.273 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.846 -4.265 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.615 -5.516 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.568 -3.989 -3.826 1.00 0.00 H new ATOM 710 N ARG A 46 -3.207 -8.690 -7.449 1.00 0.00 N ATOM 711 CA ARG A 46 -2.529 -9.514 -8.433 1.00 0.00 C ATOM 712 C ARG A 46 -3.444 -9.807 -9.621 1.00 0.00 C ATOM 713 O ARG A 46 -3.012 -9.765 -10.772 1.00 0.00 O ATOM 714 CB ARG A 46 -2.100 -10.809 -7.754 1.00 0.00 C ATOM 715 CG ARG A 46 -1.344 -11.786 -8.626 1.00 0.00 C ATOM 716 CD ARG A 46 -0.953 -12.997 -7.804 1.00 0.00 C ATOM 717 NE ARG A 46 0.003 -12.654 -6.749 1.00 0.00 N ATOM 718 CZ ARG A 46 -0.039 -13.144 -5.511 1.00 0.00 C ATOM 719 NH1 ARG A 46 -0.989 -14.008 -5.165 1.00 0.00 N ATOM 720 NH2 ARG A 46 0.866 -12.766 -4.610 1.00 0.00 N ATOM 0 H ARG A 46 -3.419 -9.178 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.656 -8.987 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.477 -10.559 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.989 -11.307 -7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.962 -12.090 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.454 -11.310 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.845 -13.436 -7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.518 -13.754 -8.457 1.00 0.00 H new ATOM 0 HE ARG A 46 0.749 -11.997 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.689 -14.298 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.018 -14.381 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.594 -12.099 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.831 -13.143 -3.663 1.00 0.00 H new ATOM 734 N ARG A 47 -4.708 -10.112 -9.331 1.00 0.00 N ATOM 735 CA ARG A 47 -5.689 -10.383 -10.377 1.00 0.00 C ATOM 736 C ARG A 47 -6.053 -9.099 -11.113 1.00 0.00 C ATOM 737 O ARG A 47 -6.024 -9.045 -12.341 1.00 0.00 O ATOM 738 CB ARG A 47 -6.968 -11.002 -9.797 1.00 0.00 C ATOM 739 CG ARG A 47 -6.735 -12.183 -8.867 1.00 0.00 C ATOM 740 CD ARG A 47 -5.965 -13.304 -9.539 1.00 0.00 C ATOM 741 NE ARG A 47 -5.739 -14.419 -8.621 1.00 0.00 N ATOM 742 CZ ARG A 47 -5.500 -15.671 -9.008 1.00 0.00 C ATOM 743 NH1 ARG A 47 -5.439 -15.973 -10.298 1.00 0.00 N ATOM 744 NH2 ARG A 47 -5.326 -16.622 -8.097 1.00 0.00 N ATOM 0 H ARG A 47 -5.075 -10.177 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.236 -11.091 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.515 -10.231 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.605 -11.325 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.187 -11.846 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.695 -12.563 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.517 -13.655 -10.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.008 -12.926 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.766 -14.226 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.575 -15.245 -10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.256 -16.933 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.376 -16.393 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.143 -17.582 -8.390 1.00 0.00 H new ATOM 758 N GLY A 48 -6.389 -8.070 -10.347 1.00 0.00 N ATOM 759 CA GLY A 48 -6.817 -6.815 -10.930 1.00 0.00 C ATOM 760 C GLY A 48 -8.088 -6.293 -10.289 1.00 0.00 C ATOM 761 O GLY A 48 -8.774 -5.439 -10.853 1.00 0.00 O ATOM 0 H GLY A 48 -6.372 -8.083 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.025 -6.075 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.979 -6.949 -11.999 1.00 0.00 H new ATOM 765 N GLU A 49 -8.398 -6.807 -9.106 1.00 0.00 N ATOM 766 CA GLU A 49 -9.598 -6.418 -8.383 1.00 0.00 C ATOM 767 C GLU A 49 -9.248 -5.413 -7.296 1.00 0.00 C ATOM 768 O GLU A 49 -8.073 -5.182 -7.009 1.00 0.00 O ATOM 769 CB GLU A 49 -10.260 -7.643 -7.760 1.00 0.00 C ATOM 770 CG GLU A 49 -10.653 -8.700 -8.777 1.00 0.00 C ATOM 771 CD GLU A 49 -11.310 -9.908 -8.142 1.00 0.00 C ATOM 772 OE1 GLU A 49 -10.587 -10.842 -7.736 1.00 0.00 O ATOM 773 OE2 GLU A 49 -12.553 -9.938 -8.058 1.00 0.00 O ATOM 0 H GLU A 49 -7.827 -7.501 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.295 -5.959 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.578 -8.085 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.149 -7.328 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.335 -8.261 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.766 -9.020 -9.324 1.00 0.00 H new ATOM 780 N VAL A 50 -10.263 -4.828 -6.684 1.00 0.00 N ATOM 781 CA VAL A 50 -10.039 -3.803 -5.677 1.00 0.00 C ATOM 782 C VAL A 50 -10.291 -4.341 -4.272 1.00 0.00 C ATOM 783 O VAL A 50 -11.402 -4.766 -3.953 1.00 0.00 O ATOM 784 CB VAL A 50 -10.931 -2.568 -5.906 1.00 0.00 C ATOM 785 CG1 VAL A 50 -10.617 -1.498 -4.874 1.00 0.00 C ATOM 786 CG2 VAL A 50 -10.754 -2.024 -7.316 1.00 0.00 C ATOM 0 H VAL A 50 -11.244 -5.042 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.995 -3.505 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.973 -2.868 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.253 -0.630 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.801 -1.891 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.571 -1.204 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.394 -1.153 -7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.713 -1.737 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.027 -2.792 -8.039 1.00 0.00 H new ATOM 796 N PRO A 51 -9.249 -4.331 -3.421 1.00 0.00 N ATOM 797 CA PRO A 51 -9.359 -4.754 -2.021 1.00 0.00 C ATOM 798 C PRO A 51 -10.394 -3.941 -1.240 1.00 0.00 C ATOM 799 O PRO A 51 -10.533 -2.729 -1.424 1.00 0.00 O ATOM 800 CB PRO A 51 -7.962 -4.503 -1.450 1.00 0.00 C ATOM 801 CG PRO A 51 -7.056 -4.425 -2.620 1.00 0.00 C ATOM 802 CD PRO A 51 -7.877 -3.924 -3.771 1.00 0.00 C ATOM 0 HA PRO A 51 -9.688 -5.791 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.936 -3.579 -0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.664 -5.307 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.222 -3.753 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.630 -5.403 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.795 -2.843 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.556 -4.366 -4.715 1.00 0.00 H new ATOM 810 N ALA A 52 -11.098 -4.630 -0.344 1.00 0.00 N ATOM 811 CA ALA A 52 -12.194 -4.046 0.414 1.00 0.00 C ATOM 812 C ALA A 52 -11.726 -2.930 1.340 1.00 0.00 C ATOM 813 O ALA A 52 -12.467 -1.992 1.595 1.00 0.00 O ATOM 814 CB ALA A 52 -12.901 -5.124 1.216 1.00 0.00 C ATOM 0 H ALA A 52 -10.921 -5.611 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.887 -3.604 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.720 -4.679 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.296 -5.881 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.195 -5.587 1.905 1.00 0.00 H new ATOM 820 N GLU A 53 -10.502 -3.029 1.837 1.00 0.00 N ATOM 821 CA GLU A 53 -9.966 -2.027 2.760 1.00 0.00 C ATOM 822 C GLU A 53 -10.030 -0.617 2.179 1.00 0.00 C ATOM 823 O GLU A 53 -10.326 0.339 2.891 1.00 0.00 O ATOM 824 CB GLU A 53 -8.527 -2.369 3.129 1.00 0.00 C ATOM 825 CG GLU A 53 -8.417 -3.516 4.114 1.00 0.00 C ATOM 826 CD GLU A 53 -8.929 -3.149 5.489 1.00 0.00 C ATOM 827 OE1 GLU A 53 -8.164 -2.543 6.272 1.00 0.00 O ATOM 828 OE2 GLU A 53 -10.095 -3.471 5.799 1.00 0.00 O ATOM 0 H GLU A 53 -9.858 -3.790 1.620 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.589 -2.044 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.978 -2.624 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.049 -1.487 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.979 -4.370 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.375 -3.828 4.189 1.00 0.00 H new ATOM 835 N LEU A 54 -9.756 -0.490 0.888 1.00 0.00 N ATOM 836 CA LEU A 54 -9.766 0.812 0.246 1.00 0.00 C ATOM 837 C LEU A 54 -11.167 1.149 -0.237 1.00 0.00 C ATOM 838 O LEU A 54 -11.712 2.195 0.090 1.00 0.00 O ATOM 839 CB LEU A 54 -8.765 0.894 -0.924 1.00 0.00 C ATOM 840 CG LEU A 54 -8.271 -0.425 -1.519 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.668 -0.164 -2.885 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.228 -1.066 -0.614 1.00 0.00 C ATOM 0 H LEU A 54 -9.526 -1.268 0.270 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.454 1.543 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.228 1.472 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.896 1.458 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.116 -1.108 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.315 -1.103 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.424 0.271 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.831 0.528 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.890 -2.003 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.380 -0.391 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.667 -1.263 0.364 1.00 0.00 H new ATOM 854 N ARG A 55 -11.754 0.234 -0.991 1.00 0.00 N ATOM 855 CA ARG A 55 -13.048 0.458 -1.621 1.00 0.00 C ATOM 856 C ARG A 55 -14.174 0.580 -0.581 1.00 0.00 C ATOM 857 O ARG A 55 -15.067 1.413 -0.732 1.00 0.00 O ATOM 858 CB ARG A 55 -13.294 -0.668 -2.640 1.00 0.00 C ATOM 859 CG ARG A 55 -14.539 -0.507 -3.500 1.00 0.00 C ATOM 860 CD ARG A 55 -15.767 -0.815 -2.687 1.00 0.00 C ATOM 861 NE ARG A 55 -16.972 -0.955 -3.495 1.00 0.00 N ATOM 862 CZ ARG A 55 -18.167 -0.471 -3.157 1.00 0.00 C ATOM 863 NH1 ARG A 55 -18.312 0.285 -2.073 1.00 0.00 N ATOM 864 NH2 ARG A 55 -19.216 -0.728 -3.923 1.00 0.00 N ATOM 0 H ARG A 55 -11.350 -0.682 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.044 1.412 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.426 -0.738 -3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.364 -1.613 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.595 0.510 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.486 -1.174 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.603 -1.737 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.919 -0.022 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.896 -1.458 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.504 0.500 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.232 0.650 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.106 -1.293 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.134 -0.361 -3.671 1.00 0.00 H new ATOM 980 N VAL A 63 -11.288 5.437 -6.608 1.00 0.00 N ATOM 981 CA VAL A 63 -10.543 4.449 -5.841 1.00 0.00 C ATOM 982 C VAL A 63 -9.317 3.992 -6.641 1.00 0.00 C ATOM 983 O VAL A 63 -9.426 3.220 -7.596 1.00 0.00 O ATOM 984 CB VAL A 63 -11.463 3.253 -5.439 1.00 0.00 C ATOM 985 CG1 VAL A 63 -12.121 2.597 -6.648 1.00 0.00 C ATOM 986 CG2 VAL A 63 -10.713 2.221 -4.608 1.00 0.00 C ATOM 0 HA VAL A 63 -10.190 4.900 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.258 3.671 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.750 1.771 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.732 3.331 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.351 2.219 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.386 1.404 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.874 1.830 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.341 2.689 -3.697 1.00 0.00 H new ATOM 996 N ASN A 64 -8.148 4.504 -6.269 1.00 0.00 N ATOM 997 CA ASN A 64 -6.931 4.244 -7.026 1.00 0.00 C ATOM 998 C ASN A 64 -5.844 3.638 -6.146 1.00 0.00 C ATOM 999 O ASN A 64 -5.751 3.952 -4.962 1.00 0.00 O ATOM 1000 CB ASN A 64 -6.427 5.547 -7.646 1.00 0.00 C ATOM 1001 CG ASN A 64 -5.356 5.316 -8.695 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -5.661 5.100 -9.869 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -4.098 5.364 -8.289 1.00 0.00 N ATOM 0 H ASN A 64 -8.019 5.099 -5.451 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.166 3.525 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.265 6.078 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.029 6.189 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.341 5.220 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.885 5.545 -7.308 1.00 0.00 H new ATOM 1010 N LEU A 65 -5.021 2.782 -6.740 1.00 0.00 N ATOM 1011 CA LEU A 65 -3.928 2.138 -6.026 1.00 0.00 C ATOM 1012 C LEU A 65 -2.617 2.246 -6.815 1.00 0.00 C ATOM 1013 O LEU A 65 -2.525 1.801 -7.963 1.00 0.00 O ATOM 1014 CB LEU A 65 -4.276 0.672 -5.758 1.00 0.00 C ATOM 1015 CG LEU A 65 -3.152 -0.164 -5.178 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -3.034 0.098 -3.698 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -3.389 -1.639 -5.452 1.00 0.00 C ATOM 0 H LEU A 65 -5.092 2.517 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.786 2.649 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.124 0.636 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.601 0.216 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.214 0.118 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.225 -0.505 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.821 1.154 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.970 -0.165 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.572 -2.224 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.330 -1.947 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.435 -1.806 -6.528 1.00 0.00 H new ATOM 1029 N ASP A 66 -1.614 2.855 -6.189 1.00 0.00 N ATOM 1030 CA ASP A 66 -0.281 2.989 -6.778 1.00 0.00 C ATOM 1031 C ASP A 66 0.661 2.003 -6.104 1.00 0.00 C ATOM 1032 O ASP A 66 0.330 1.481 -5.048 1.00 0.00 O ATOM 1033 CB ASP A 66 0.245 4.416 -6.584 1.00 0.00 C ATOM 1034 CG ASP A 66 1.506 4.695 -7.385 1.00 0.00 C ATOM 1035 OD1 ASP A 66 1.722 4.027 -8.421 1.00 0.00 O ATOM 1036 OD2 ASP A 66 2.285 5.590 -6.991 1.00 0.00 O ATOM 0 H ASP A 66 -1.700 3.269 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.338 2.779 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.529 5.126 -6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.448 4.582 -5.526 1.00 0.00 H new ATOM 1041 N MET A 67 1.824 1.747 -6.693 1.00 0.00 N ATOM 1042 CA MET A 67 2.768 0.795 -6.111 1.00 0.00 C ATOM 1043 C MET A 67 4.212 1.300 -6.179 1.00 0.00 C ATOM 1044 O MET A 67 4.674 1.788 -7.213 1.00 0.00 O ATOM 1045 CB MET A 67 2.643 -0.576 -6.784 1.00 0.00 C ATOM 1046 CG MET A 67 1.344 -1.294 -6.447 1.00 0.00 C ATOM 1047 SD MET A 67 1.174 -2.880 -7.287 1.00 0.00 S ATOM 1048 CE MET A 67 2.490 -3.821 -6.513 1.00 0.00 C ATOM 0 H MET A 67 2.135 2.179 -7.563 1.00 0.00 H new ATOM 0 HA MET A 67 2.510 0.692 -5.057 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.711 -0.450 -7.865 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.484 -1.200 -6.482 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.293 -1.453 -5.370 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.503 -0.655 -6.716 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.351 -4.882 -6.722 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.452 -3.496 -6.910 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.469 -3.658 -5.435 1.00 0.00 H new ATOM 1058 N GLU A 68 4.909 1.167 -5.052 1.00 0.00 N ATOM 1059 CA GLU A 68 6.293 1.612 -4.899 1.00 0.00 C ATOM 1060 C GLU A 68 7.155 0.494 -4.328 1.00 0.00 C ATOM 1061 O GLU A 68 6.632 -0.502 -3.836 1.00 0.00 O ATOM 1062 CB GLU A 68 6.372 2.809 -3.959 1.00 0.00 C ATOM 1063 CG GLU A 68 5.844 4.102 -4.538 1.00 0.00 C ATOM 1064 CD GLU A 68 5.939 5.225 -3.538 1.00 0.00 C ATOM 1065 OE1 GLU A 68 6.947 5.282 -2.798 1.00 0.00 O ATOM 1066 OE2 GLU A 68 4.998 6.034 -3.451 1.00 0.00 O ATOM 0 H GLU A 68 4.524 0.742 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 68 6.659 1.894 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.814 2.579 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.412 2.956 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.409 4.360 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.806 3.970 -4.843 1.00 0.00 H new ATOM 1073 N ASP A 69 8.470 0.664 -4.395 1.00 0.00 N ATOM 1074 CA ASP A 69 9.408 -0.320 -3.849 1.00 0.00 C ATOM 1075 C ASP A 69 10.327 0.337 -2.817 1.00 0.00 C ATOM 1076 O ASP A 69 11.068 1.265 -3.136 1.00 0.00 O ATOM 1077 CB ASP A 69 10.244 -0.940 -4.978 1.00 0.00 C ATOM 1078 CG ASP A 69 11.246 -1.983 -4.498 1.00 0.00 C ATOM 1079 OD1 ASP A 69 11.248 -2.326 -3.300 1.00 0.00 O ATOM 1080 OD2 ASP A 69 12.031 -2.483 -5.336 1.00 0.00 O ATOM 0 H ASP A 69 8.916 1.476 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 69 8.837 -1.109 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.573 -1.400 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.780 -0.147 -5.498 1.00 0.00 H new ATOM 1085 N HIS A 70 10.246 -0.129 -1.575 1.00 0.00 N ATOM 1086 CA HIS A 70 11.115 0.351 -0.500 1.00 0.00 C ATOM 1087 C HIS A 70 11.474 -0.808 0.423 1.00 0.00 C ATOM 1088 O HIS A 70 11.452 -0.674 1.648 1.00 0.00 O ATOM 1089 CB HIS A 70 10.447 1.455 0.338 1.00 0.00 C ATOM 1090 CG HIS A 70 10.054 2.699 -0.405 1.00 0.00 C ATOM 1091 ND1 HIS A 70 10.798 3.859 -0.383 1.00 0.00 N ATOM 1092 CD2 HIS A 70 8.955 2.975 -1.145 1.00 0.00 C ATOM 1093 CE1 HIS A 70 10.175 4.792 -1.077 1.00 0.00 C ATOM 1094 NE2 HIS A 70 9.055 4.280 -1.552 1.00 0.00 N ATOM 0 H HIS A 70 9.581 -0.846 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 70 12.007 0.768 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.555 1.039 0.806 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.128 1.736 1.142 1.00 0.00 H new ATOM 0 HD1 HIS A 70 11.691 3.978 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.149 2.293 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.522 5.803 -1.230 1.00 0.00 H new ATOM 1103 N ARG A 71 11.801 -1.940 -0.181 1.00 0.00 N ATOM 1104 CA ARG A 71 12.076 -3.175 0.559 1.00 0.00 C ATOM 1105 C ARG A 71 13.108 -2.972 1.662 1.00 0.00 C ATOM 1106 O ARG A 71 12.841 -3.246 2.832 1.00 0.00 O ATOM 1107 CB ARG A 71 12.571 -4.262 -0.389 1.00 0.00 C ATOM 1108 CG ARG A 71 11.500 -4.806 -1.311 1.00 0.00 C ATOM 1109 CD ARG A 71 12.115 -5.508 -2.505 1.00 0.00 C ATOM 1110 NE ARG A 71 12.826 -4.570 -3.368 1.00 0.00 N ATOM 1111 CZ ARG A 71 14.036 -4.786 -3.881 1.00 0.00 C ATOM 1112 NH1 ARG A 71 14.689 -5.911 -3.615 1.00 0.00 N ATOM 1113 NH2 ARG A 71 14.590 -3.872 -4.668 1.00 0.00 N ATOM 0 H ARG A 71 11.885 -2.035 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 71 11.138 -3.478 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.386 -3.861 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.982 -5.083 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.864 -5.502 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.862 -3.991 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.803 -6.280 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.334 -6.009 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 71 12.365 -3.689 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.264 -6.617 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.615 -6.069 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.089 -3.008 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.516 -4.033 -5.063 1.00 0.00 H new ATOM 1127 N ASP A 72 14.275 -2.475 1.288 1.00 0.00 N ATOM 1128 CA ASP A 72 15.392 -2.353 2.215 1.00 0.00 C ATOM 1129 C ASP A 72 15.327 -1.052 3.008 1.00 0.00 C ATOM 1130 O ASP A 72 16.247 -0.724 3.760 1.00 0.00 O ATOM 1131 CB ASP A 72 16.734 -2.479 1.477 1.00 0.00 C ATOM 1132 CG ASP A 72 16.799 -1.699 0.169 1.00 0.00 C ATOM 1133 OD1 ASP A 72 15.867 -0.928 -0.131 1.00 0.00 O ATOM 1134 OD2 ASP A 72 17.794 -1.876 -0.574 1.00 0.00 O ATOM 0 H ASP A 72 14.476 -2.147 0.343 1.00 0.00 H new ATOM 0 HA ASP A 72 15.316 -3.174 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.532 -2.133 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.925 -3.532 1.270 1.00 0.00 H new ATOM 1139 N GLU A 73 14.232 -0.324 2.847 1.00 0.00 N ATOM 1140 CA GLU A 73 13.974 0.854 3.658 1.00 0.00 C ATOM 1141 C GLU A 73 13.100 0.500 4.850 1.00 0.00 C ATOM 1142 O GLU A 73 13.168 1.147 5.895 1.00 0.00 O ATOM 1143 CB GLU A 73 13.298 1.949 2.835 1.00 0.00 C ATOM 1144 CG GLU A 73 14.278 2.938 2.229 1.00 0.00 C ATOM 1145 CD GLU A 73 13.677 4.314 2.017 1.00 0.00 C ATOM 1146 OE1 GLU A 73 12.893 4.488 1.058 1.00 0.00 O ATOM 1147 OE2 GLU A 73 13.993 5.230 2.813 1.00 0.00 O ATOM 0 H GLU A 73 13.507 -0.530 2.160 1.00 0.00 H new ATOM 0 HA GLU A 73 14.934 1.227 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.718 1.487 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.594 2.488 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.148 3.024 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.632 2.551 1.273 1.00 0.00 H new ATOM 1154 N ASP A 74 12.293 -0.545 4.670 1.00 0.00 N ATOM 1155 CA ASP A 74 11.306 -0.991 5.659 1.00 0.00 C ATOM 1156 C ASP A 74 10.204 0.052 5.818 1.00 0.00 C ATOM 1157 O ASP A 74 10.327 1.170 5.322 1.00 0.00 O ATOM 1158 CB ASP A 74 11.931 -1.286 7.020 1.00 0.00 C ATOM 1159 CG ASP A 74 11.414 -2.580 7.610 1.00 0.00 C ATOM 1160 OD1 ASP A 74 10.470 -3.170 7.043 1.00 0.00 O ATOM 1161 OD2 ASP A 74 11.954 -3.026 8.641 1.00 0.00 O ATOM 0 H ASP A 74 12.305 -1.114 3.824 1.00 0.00 H new ATOM 0 HA ASP A 74 10.884 -1.923 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.015 -1.341 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.717 -0.464 7.704 1.00 0.00 H new ATOM 1166 N PHE A 75 9.148 -0.306 6.535 1.00 0.00 N ATOM 1167 CA PHE A 75 7.921 0.504 6.579 1.00 0.00 C ATOM 1168 C PHE A 75 8.190 1.948 6.990 1.00 0.00 C ATOM 1169 O PHE A 75 8.889 2.211 7.967 1.00 0.00 O ATOM 1170 CB PHE A 75 6.907 -0.120 7.531 1.00 0.00 C ATOM 1171 CG PHE A 75 5.605 0.627 7.639 1.00 0.00 C ATOM 1172 CD1 PHE A 75 4.888 0.993 6.507 1.00 0.00 C ATOM 1173 CD2 PHE A 75 5.085 0.940 8.880 1.00 0.00 C ATOM 1174 CE1 PHE A 75 3.686 1.650 6.618 1.00 0.00 C ATOM 1175 CE2 PHE A 75 3.880 1.596 8.994 1.00 0.00 C ATOM 1176 CZ PHE A 75 3.180 1.949 7.863 1.00 0.00 C ATOM 0 H PHE A 75 9.109 -1.155 7.099 1.00 0.00 H new ATOM 0 HA PHE A 75 7.516 0.520 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.700 -1.139 7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.354 -0.189 8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.280 0.759 5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.630 0.667 9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.139 1.931 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.484 1.833 9.970 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.233 2.461 7.952 1.00 0.00 H new ATOM 1186 N VAL A 76 7.611 2.880 6.240 1.00 0.00 N ATOM 1187 CA VAL A 76 7.798 4.291 6.508 1.00 0.00 C ATOM 1188 C VAL A 76 6.769 5.158 5.759 1.00 0.00 C ATOM 1189 O VAL A 76 7.040 5.699 4.686 1.00 0.00 O ATOM 1190 CB VAL A 76 9.252 4.723 6.171 1.00 0.00 C ATOM 1191 CG1 VAL A 76 9.615 4.438 4.720 1.00 0.00 C ATOM 1192 CG2 VAL A 76 9.485 6.184 6.509 1.00 0.00 C ATOM 0 H VAL A 76 7.009 2.678 5.442 1.00 0.00 H new ATOM 0 HA VAL A 76 7.632 4.451 7.573 1.00 0.00 H new ATOM 0 HB VAL A 76 9.912 4.119 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.640 4.757 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.526 3.369 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.939 4.984 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.511 6.455 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.797 6.805 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.314 6.343 7.574 1.00 0.00 H new