USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 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 69 GLN : amide:sc= -0.0611 K(o=-0.97,f=-0.15) USER MOD Set 1.2: A 78 MET CE :methyl 146:sc= -0.904 (180deg=-1.03) USER MOD Single : A 20 ASN : amide:sc= -8.64! C(o=-8.6!,f=-26!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0606 K(o=-0.061,f=-2) USER MOD Single : A 46 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= -0.173 (180deg=-0.925) USER MOD Single : A 66 MET CE :methyl -139:sc= 0 (180deg=-1.42!) USER MOD Single : A 68 CYS SG : rot 21:sc= 0.187 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 75 TYR OH : rot -156:sc= 0.108 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 9:sc= 0.294 USER MOD Single : A 80 THR OG1 : rot 160:sc= -0.649 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 87 TYR OH : rot 22:sc= -0.392 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -155:sc= 0.56 USER MOD Single : A 97 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.55) USER MOD Single : A 98 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1) USER MOD Single : A 102 SER OG : rot -170:sc= -1.02 USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.0176 (180deg=-0.191) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.816 18.852 -1.127 1.00 0.00 N ATOM 242 CA ASN A 20 1.911 18.537 -0.028 1.00 0.00 C ATOM 243 C ASN A 20 1.509 17.066 -0.059 1.00 0.00 C ATOM 244 O ASN A 20 1.131 16.522 -1.096 1.00 0.00 O ATOM 245 CB ASN A 20 0.664 19.420 -0.098 1.00 0.00 C ATOM 246 CG ASN A 20 -0.522 18.804 0.620 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.364 17.899 1.439 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.718 19.293 0.314 1.00 0.00 N ATOM 0 HA ASN A 20 2.434 18.732 0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.886 20.393 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.403 19.594 -1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.553 18.918 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.802 20.044 -0.371 1.00 0.00 H new ATOM 255 N PRO A 21 1.591 16.406 1.106 1.00 0.00 N ATOM 256 CA PRO A 21 1.238 14.989 1.239 1.00 0.00 C ATOM 257 C PRO A 21 -0.261 14.748 1.096 1.00 0.00 C ATOM 258 O PRO A 21 -0.688 13.845 0.378 1.00 0.00 O ATOM 259 CB PRO A 21 1.703 14.640 2.656 1.00 0.00 C ATOM 260 CG PRO A 21 1.679 15.934 3.392 1.00 0.00 C ATOM 261 CD PRO A 21 2.033 16.992 2.383 1.00 0.00 C ATOM 0 HA PRO A 21 1.699 14.380 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.042 13.908 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.703 14.207 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.695 16.120 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.392 15.927 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.523 17.933 2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.102 17.203 2.380 1.00 0.00 H new ATOM 269 N ALA A 22 -1.055 15.563 1.783 1.00 0.00 N ATOM 270 CA ALA A 22 -2.506 15.440 1.730 1.00 0.00 C ATOM 271 C ALA A 22 -2.992 15.294 0.291 1.00 0.00 C ATOM 272 O ALA A 22 -3.712 14.351 -0.039 1.00 0.00 O ATOM 273 CB ALA A 22 -3.162 16.642 2.391 1.00 0.00 C ATOM 0 H ALA A 22 -0.717 16.316 2.383 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.790 14.540 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.246 16.537 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.848 16.701 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.863 17.552 1.870 1.00 0.00 H new ATOM 279 N LEU A 23 -2.594 16.233 -0.560 1.00 0.00 N ATOM 280 CA LEU A 23 -2.990 16.210 -1.964 1.00 0.00 C ATOM 281 C LEU A 23 -2.786 14.822 -2.564 1.00 0.00 C ATOM 282 O LEU A 23 -3.677 14.280 -3.218 1.00 0.00 O ATOM 283 CB LEU A 23 -2.189 17.244 -2.757 1.00 0.00 C ATOM 284 CG LEU A 23 -2.772 18.657 -2.797 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.840 19.597 -3.546 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.152 18.647 -3.439 1.00 0.00 C ATOM 0 H LEU A 23 -1.998 17.020 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.050 16.459 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.185 17.298 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.085 16.886 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.873 19.017 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.271 20.598 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.873 19.627 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.707 19.240 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.551 19.661 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.077 18.267 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.818 18.006 -2.861 1.00 0.00 H new ATOM 298 N VAL A 24 -1.608 14.251 -2.335 1.00 0.00 N ATOM 299 CA VAL A 24 -1.288 12.925 -2.851 1.00 0.00 C ATOM 300 C VAL A 24 -2.361 11.913 -2.467 1.00 0.00 C ATOM 301 O VAL A 24 -2.630 11.695 -1.285 1.00 0.00 O ATOM 302 CB VAL A 24 0.075 12.434 -2.329 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.386 11.047 -2.869 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.174 13.419 -2.701 1.00 0.00 C ATOM 0 H VAL A 24 -0.859 14.686 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.244 13.010 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 24 0.027 12.372 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.353 10.717 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.387 10.349 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.416 11.079 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.130 13.056 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.224 13.516 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.956 14.392 -2.260 1.00 0.00 H new ATOM 314 N SER A 25 -2.972 11.296 -3.473 1.00 0.00 N ATOM 315 CA SER A 25 -4.020 10.308 -3.241 1.00 0.00 C ATOM 316 C SER A 25 -3.646 8.965 -3.860 1.00 0.00 C ATOM 317 O SER A 25 -2.813 8.896 -4.764 1.00 0.00 O ATOM 318 CB SER A 25 -5.349 10.797 -3.821 1.00 0.00 C ATOM 319 OG SER A 25 -6.392 9.877 -3.551 1.00 0.00 O ATOM 0 H SER A 25 -2.760 11.462 -4.457 1.00 0.00 H new ATOM 0 HA SER A 25 -4.128 10.175 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.599 11.770 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.251 10.935 -4.898 1.00 0.00 H new ATOM 0 HG SER A 25 -7.231 10.213 -3.930 1.00 0.00 H new ATOM 325 N ALA A 26 -4.267 7.899 -3.366 1.00 0.00 N ATOM 326 CA ALA A 26 -4.002 6.558 -3.870 1.00 0.00 C ATOM 327 C ALA A 26 -5.301 5.797 -4.117 1.00 0.00 C ATOM 328 O ALA A 26 -6.166 5.728 -3.244 1.00 0.00 O ATOM 329 CB ALA A 26 -3.117 5.793 -2.897 1.00 0.00 C ATOM 0 H ALA A 26 -4.958 7.939 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.480 6.652 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.927 4.793 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.171 6.320 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.618 5.717 -1.932 1.00 0.00 H new ATOM 335 N TYR A 27 -5.431 5.229 -5.310 1.00 0.00 N ATOM 336 CA TYR A 27 -6.626 4.476 -5.672 1.00 0.00 C ATOM 337 C TYR A 27 -6.306 3.421 -6.727 1.00 0.00 C ATOM 338 O TYR A 27 -5.262 3.472 -7.376 1.00 0.00 O ATOM 339 CB TYR A 27 -7.711 5.420 -6.192 1.00 0.00 C ATOM 340 CG TYR A 27 -7.354 6.093 -7.497 1.00 0.00 C ATOM 341 CD1 TYR A 27 -6.312 7.011 -7.566 1.00 0.00 C ATOM 342 CD2 TYR A 27 -8.058 5.813 -8.662 1.00 0.00 C ATOM 343 CE1 TYR A 27 -5.983 7.629 -8.756 1.00 0.00 C ATOM 344 CE2 TYR A 27 -7.734 6.426 -9.857 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.696 7.333 -9.899 1.00 0.00 C ATOM 346 OH TYR A 27 -6.371 7.947 -11.087 1.00 0.00 O ATOM 0 H TYR A 27 -4.724 5.275 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.991 3.971 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.636 4.859 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.906 6.185 -5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.750 7.245 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.872 5.104 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.171 8.341 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.291 6.196 -10.753 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.969 7.627 -11.795 1.00 0.00 H new ATOM 356 N GLY A 28 -7.215 2.464 -6.892 1.00 0.00 N ATOM 357 CA GLY A 28 -7.013 1.410 -7.870 1.00 0.00 C ATOM 358 C GLY A 28 -7.769 0.144 -7.521 1.00 0.00 C ATOM 359 O GLY A 28 -8.748 0.181 -6.774 1.00 0.00 O ATOM 0 H GLY A 28 -8.087 2.400 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.333 1.762 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.949 1.186 -7.944 1.00 0.00 H new ATOM 363 N THR A 29 -7.316 -0.982 -8.063 1.00 0.00 N ATOM 364 CA THR A 29 -7.957 -2.266 -7.807 1.00 0.00 C ATOM 365 C THR A 29 -7.154 -3.094 -6.811 1.00 0.00 C ATOM 366 O THR A 29 -7.719 -3.809 -5.984 1.00 0.00 O ATOM 367 CB THR A 29 -8.132 -3.075 -9.106 1.00 0.00 C ATOM 368 OG1 THR A 29 -7.079 -2.762 -10.024 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.478 -2.779 -9.751 1.00 0.00 C ATOM 0 H THR A 29 -6.507 -1.031 -8.682 1.00 0.00 H new ATOM 0 HA THR A 29 -8.939 -2.050 -7.386 1.00 0.00 H new ATOM 0 HB THR A 29 -8.092 -4.135 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.197 -3.282 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.579 -3.362 -10.667 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.279 -3.046 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.542 -1.717 -9.988 1.00 0.00 H new ATOM 377 N GLY A 30 -5.831 -2.991 -6.894 1.00 0.00 N ATOM 378 CA GLY A 30 -4.971 -3.736 -5.993 1.00 0.00 C ATOM 379 C GLY A 30 -5.199 -3.370 -4.540 1.00 0.00 C ATOM 380 O GLY A 30 -4.681 -4.029 -3.637 1.00 0.00 O ATOM 0 H GLY A 30 -5.340 -2.405 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.146 -4.803 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.929 -3.549 -6.253 1.00 0.00 H new ATOM 384 N LEU A 31 -5.975 -2.317 -4.311 1.00 0.00 N ATOM 385 CA LEU A 31 -6.270 -1.863 -2.956 1.00 0.00 C ATOM 386 C LEU A 31 -7.604 -2.422 -2.473 1.00 0.00 C ATOM 387 O LEU A 31 -7.851 -2.512 -1.271 1.00 0.00 O ATOM 388 CB LEU A 31 -6.296 -0.334 -2.904 1.00 0.00 C ATOM 389 CG LEU A 31 -4.965 0.369 -3.173 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.183 1.858 -3.391 1.00 0.00 C ATOM 391 CD2 LEU A 31 -3.995 0.133 -2.024 1.00 0.00 C ATOM 0 H LEU A 31 -6.412 -1.761 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.483 -2.230 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.026 0.022 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.652 -0.030 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.531 -0.051 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.225 2.342 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.841 2.008 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.639 2.293 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.053 0.641 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.422 0.525 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.814 -0.936 -1.914 1.00 0.00 H new ATOM 403 N GLU A 32 -8.459 -2.799 -3.418 1.00 0.00 N ATOM 404 CA GLU A 32 -9.768 -3.352 -3.087 1.00 0.00 C ATOM 405 C GLU A 32 -9.631 -4.564 -2.171 1.00 0.00 C ATOM 406 O GLU A 32 -10.474 -4.801 -1.307 1.00 0.00 O ATOM 407 CB GLU A 32 -10.517 -3.745 -4.362 1.00 0.00 C ATOM 408 CG GLU A 32 -10.744 -2.585 -5.318 1.00 0.00 C ATOM 409 CD GLU A 32 -11.242 -3.037 -6.676 1.00 0.00 C ATOM 410 OE1 GLU A 32 -10.530 -3.822 -7.338 1.00 0.00 O ATOM 411 OE2 GLU A 32 -12.343 -2.607 -7.078 1.00 0.00 O ATOM 0 H GLU A 32 -8.270 -2.732 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.336 -2.584 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.956 -4.525 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.481 -4.174 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.466 -1.895 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.812 -2.034 -5.442 1.00 0.00 H new ATOM 418 N GLY A 33 -8.561 -5.329 -2.366 1.00 0.00 N ATOM 419 CA GLY A 33 -8.332 -6.507 -1.551 1.00 0.00 C ATOM 420 C GLY A 33 -7.153 -7.327 -2.035 1.00 0.00 C ATOM 421 O GLY A 33 -6.400 -6.891 -2.905 1.00 0.00 O ATOM 0 H GLY A 33 -7.849 -5.153 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.160 -6.203 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.228 -7.127 -1.555 1.00 0.00 H new ATOM 425 N GLY A 34 -6.991 -8.520 -1.469 1.00 0.00 N ATOM 426 CA GLY A 34 -5.892 -9.383 -1.860 1.00 0.00 C ATOM 427 C GLY A 34 -6.358 -10.603 -2.630 1.00 0.00 C ATOM 428 O GLY A 34 -6.951 -11.519 -2.059 1.00 0.00 O ATOM 0 H GLY A 34 -7.601 -8.903 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.190 -8.817 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.352 -9.704 -0.969 1.00 0.00 H new ATOM 432 N THR A 35 -6.092 -10.616 -3.932 1.00 0.00 N ATOM 433 CA THR A 35 -6.491 -11.730 -4.783 1.00 0.00 C ATOM 434 C THR A 35 -5.317 -12.665 -5.051 1.00 0.00 C ATOM 435 O THR A 35 -4.401 -12.330 -5.802 1.00 0.00 O ATOM 436 CB THR A 35 -7.057 -11.236 -6.128 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.425 -10.007 -6.503 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.562 -11.033 -6.040 1.00 0.00 C ATOM 0 H THR A 35 -5.602 -9.867 -4.421 1.00 0.00 H new ATOM 0 HA THR A 35 -7.270 -12.273 -4.248 1.00 0.00 H new ATOM 0 HB THR A 35 -6.853 -11.994 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.789 -9.700 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.939 -10.684 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.042 -11.977 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.785 -10.292 -5.272 1.00 0.00 H new ATOM 446 N THR A 36 -5.350 -13.841 -4.432 1.00 0.00 N ATOM 447 CA THR A 36 -4.288 -14.825 -4.603 1.00 0.00 C ATOM 448 C THR A 36 -4.439 -15.572 -5.923 1.00 0.00 C ATOM 449 O THR A 36 -5.423 -16.277 -6.140 1.00 0.00 O ATOM 450 CB THR A 36 -4.275 -15.844 -3.448 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.744 -15.227 -2.244 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.875 -16.396 -3.229 1.00 0.00 C ATOM 0 H THR A 36 -6.101 -14.135 -3.808 1.00 0.00 H new ATOM 0 HA THR A 36 -3.346 -14.277 -4.604 1.00 0.00 H new ATOM 0 HB THR A 36 -4.936 -16.669 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.734 -15.882 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.891 -17.113 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.533 -16.891 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.196 -15.579 -2.984 1.00 0.00 H new ATOM 460 N GLY A 37 -3.455 -15.413 -6.803 1.00 0.00 N ATOM 461 CA GLY A 37 -3.497 -16.079 -8.092 1.00 0.00 C ATOM 462 C GLY A 37 -3.641 -15.105 -9.244 1.00 0.00 C ATOM 463 O GLY A 37 -3.196 -15.382 -10.358 1.00 0.00 O ATOM 0 H GLY A 37 -2.629 -14.835 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.586 -16.663 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.331 -16.781 -8.108 1.00 0.00 H new ATOM 467 N ILE A 38 -4.265 -13.963 -8.977 1.00 0.00 N ATOM 468 CA ILE A 38 -4.467 -12.945 -10.000 1.00 0.00 C ATOM 469 C ILE A 38 -3.482 -11.793 -9.831 1.00 0.00 C ATOM 470 O ILE A 38 -2.821 -11.676 -8.800 1.00 0.00 O ATOM 471 CB ILE A 38 -5.902 -12.389 -9.966 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.915 -13.534 -9.903 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.160 -11.513 -11.183 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.291 -13.099 -9.447 1.00 0.00 C ATOM 0 H ILE A 38 -4.640 -13.719 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.297 -13.427 -10.963 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.017 -11.777 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.996 -13.992 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.542 -14.301 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.179 -11.127 -11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.457 -10.680 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.029 -12.103 -12.090 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.957 -13.962 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.224 -12.668 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.685 -12.354 -10.138 1.00 0.00 H new ATOM 486 N GLN A 39 -3.393 -10.944 -10.850 1.00 0.00 N ATOM 487 CA GLN A 39 -2.490 -9.800 -10.813 1.00 0.00 C ATOM 488 C GLN A 39 -3.272 -8.491 -10.773 1.00 0.00 C ATOM 489 O GLN A 39 -4.080 -8.211 -11.659 1.00 0.00 O ATOM 490 CB GLN A 39 -1.562 -9.816 -12.029 1.00 0.00 C ATOM 491 CG GLN A 39 -0.799 -8.517 -12.230 1.00 0.00 C ATOM 492 CD GLN A 39 0.147 -8.572 -13.413 1.00 0.00 C ATOM 493 OE1 GLN A 39 1.354 -8.375 -13.268 1.00 0.00 O ATOM 494 NE2 GLN A 39 -0.397 -8.842 -14.594 1.00 0.00 N ATOM 0 H GLN A 39 -3.935 -11.027 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.890 -9.872 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.849 -10.633 -11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.151 -10.023 -12.922 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.508 -7.702 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.232 -8.290 -11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.402 -8.999 -14.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.190 -8.893 -15.426 1.00 0.00 H new ATOM 503 N SER A 40 -3.026 -7.692 -9.740 1.00 0.00 N ATOM 504 CA SER A 40 -3.710 -6.414 -9.582 1.00 0.00 C ATOM 505 C SER A 40 -2.710 -5.261 -9.568 1.00 0.00 C ATOM 506 O SER A 40 -1.548 -5.438 -9.204 1.00 0.00 O ATOM 507 CB SER A 40 -4.531 -6.407 -8.291 1.00 0.00 C ATOM 508 OG SER A 40 -5.455 -7.482 -8.269 1.00 0.00 O ATOM 0 H SER A 40 -2.358 -7.907 -9.000 1.00 0.00 H new ATOM 0 HA SER A 40 -4.380 -6.281 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.864 -6.479 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.066 -5.461 -8.201 1.00 0.00 H new ATOM 0 HG SER A 40 -5.966 -7.457 -7.433 1.00 0.00 H new ATOM 514 N GLU A 41 -3.173 -4.080 -9.966 1.00 0.00 N ATOM 515 CA GLU A 41 -2.320 -2.898 -10.000 1.00 0.00 C ATOM 516 C GLU A 41 -3.109 -1.647 -9.626 1.00 0.00 C ATOM 517 O GLU A 41 -4.297 -1.535 -9.928 1.00 0.00 O ATOM 518 CB GLU A 41 -1.702 -2.728 -11.390 1.00 0.00 C ATOM 519 CG GLU A 41 -2.719 -2.417 -12.475 1.00 0.00 C ATOM 520 CD GLU A 41 -3.368 -1.058 -12.293 1.00 0.00 C ATOM 521 OE1 GLU A 41 -2.713 -0.158 -11.727 1.00 0.00 O ATOM 522 OE2 GLU A 41 -4.531 -0.896 -12.717 1.00 0.00 O ATOM 0 H GLU A 41 -4.133 -3.917 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.523 -3.035 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.964 -1.926 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.168 -3.641 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.230 -2.455 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.491 -3.187 -12.476 1.00 0.00 H new ATOM 529 N PHE A 42 -2.439 -0.708 -8.966 1.00 0.00 N ATOM 530 CA PHE A 42 -3.077 0.536 -8.548 1.00 0.00 C ATOM 531 C PHE A 42 -2.217 1.740 -8.921 1.00 0.00 C ATOM 532 O PHE A 42 -0.992 1.642 -8.999 1.00 0.00 O ATOM 533 CB PHE A 42 -3.329 0.522 -7.040 1.00 0.00 C ATOM 534 CG PHE A 42 -2.078 0.663 -6.221 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.450 1.892 -6.097 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.528 -0.434 -5.577 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.298 2.025 -5.344 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.377 -0.307 -4.822 1.00 0.00 C ATOM 539 CZ PHE A 42 0.239 0.924 -4.707 1.00 0.00 C ATOM 0 H PHE A 42 -1.455 -0.784 -8.709 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.031 0.619 -9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.013 1.332 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.826 -0.410 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.865 2.756 -6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.004 -1.399 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.181 2.989 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.040 -1.169 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.140 1.025 -4.120 1.00 0.00 H new ATOM 549 N PHE A 43 -2.867 2.876 -9.151 1.00 0.00 N ATOM 550 CA PHE A 43 -2.163 4.099 -9.517 1.00 0.00 C ATOM 551 C PHE A 43 -2.171 5.097 -8.363 1.00 0.00 C ATOM 552 O PHE A 43 -3.080 5.095 -7.533 1.00 0.00 O ATOM 553 CB PHE A 43 -2.804 4.730 -10.755 1.00 0.00 C ATOM 554 CG PHE A 43 -2.736 3.857 -11.976 1.00 0.00 C ATOM 555 CD1 PHE A 43 -1.602 3.843 -12.772 1.00 0.00 C ATOM 556 CD2 PHE A 43 -3.807 3.051 -12.327 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.537 3.040 -13.895 1.00 0.00 C ATOM 558 CE2 PHE A 43 -3.747 2.246 -13.449 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.611 2.242 -14.235 1.00 0.00 C ATOM 0 H PHE A 43 -3.880 2.975 -9.090 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.129 3.840 -9.743 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.848 4.957 -10.538 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.309 5.678 -10.968 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.759 4.467 -12.512 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.698 3.052 -11.717 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.647 3.037 -14.506 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.588 1.621 -13.711 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.563 1.616 -15.114 1.00 0.00 H new ATOM 569 N ILE A 44 -1.151 5.947 -8.317 1.00 0.00 N ATOM 570 CA ILE A 44 -1.040 6.950 -7.265 1.00 0.00 C ATOM 571 C ILE A 44 -1.192 8.358 -7.831 1.00 0.00 C ATOM 572 O ILE A 44 -0.402 8.790 -8.669 1.00 0.00 O ATOM 573 CB ILE A 44 0.310 6.848 -6.530 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.472 5.459 -5.908 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.415 7.927 -5.463 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.913 5.073 -5.660 1.00 0.00 C ATOM 0 H ILE A 44 -0.390 5.961 -8.996 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.846 6.756 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 44 1.113 6.999 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.072 5.427 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.014 4.720 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.374 7.842 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.338 8.909 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.392 7.804 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.952 4.077 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.457 5.073 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.370 5.791 -4.978 1.00 0.00 H new ATOM 588 N ASN A 45 -2.212 9.071 -7.363 1.00 0.00 N ATOM 589 CA ASN A 45 -2.468 10.431 -7.821 1.00 0.00 C ATOM 590 C ASN A 45 -1.420 11.395 -7.274 1.00 0.00 C ATOM 591 O ASN A 45 -1.724 12.261 -6.452 1.00 0.00 O ATOM 592 CB ASN A 45 -3.865 10.882 -7.392 1.00 0.00 C ATOM 593 CG ASN A 45 -4.305 12.152 -8.096 1.00 0.00 C ATOM 594 OD1 ASN A 45 -3.567 12.714 -8.905 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.514 12.609 -7.790 1.00 0.00 N ATOM 0 H ASN A 45 -2.874 8.729 -6.667 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.410 10.438 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.581 10.087 -7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.876 11.045 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.865 13.459 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.092 12.110 -7.113 1.00 0.00 H new ATOM 602 N THR A 46 -0.183 11.241 -7.735 1.00 0.00 N ATOM 603 CA THR A 46 0.911 12.096 -7.292 1.00 0.00 C ATOM 604 C THR A 46 1.355 13.041 -8.404 1.00 0.00 C ATOM 605 O THR A 46 2.534 13.093 -8.755 1.00 0.00 O ATOM 606 CB THR A 46 2.121 11.265 -6.827 1.00 0.00 C ATOM 607 OG1 THR A 46 3.236 12.125 -6.568 1.00 0.00 O ATOM 608 CG2 THR A 46 2.504 10.232 -7.876 1.00 0.00 C ATOM 0 H THR A 46 0.086 10.531 -8.416 1.00 0.00 H new ATOM 0 HA THR A 46 0.536 12.679 -6.451 1.00 0.00 H new ATOM 0 HB THR A 46 1.844 10.744 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.564 12.499 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.361 9.657 -7.525 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.663 9.560 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.763 10.737 -8.807 1.00 0.00 H new ATOM 616 N THR A 47 0.403 13.788 -8.954 1.00 0.00 N ATOM 617 CA THR A 47 0.696 14.732 -10.026 1.00 0.00 C ATOM 618 C THR A 47 0.229 16.137 -9.664 1.00 0.00 C ATOM 619 O THR A 47 0.855 17.126 -10.046 1.00 0.00 O ATOM 620 CB THR A 47 0.029 14.305 -11.347 1.00 0.00 C ATOM 621 OG1 THR A 47 -0.116 15.438 -12.211 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.334 13.681 -11.088 1.00 0.00 C ATOM 0 H THR A 47 -0.578 13.758 -8.675 1.00 0.00 H new ATOM 0 HA THR A 47 1.778 14.735 -10.158 1.00 0.00 H new ATOM 0 HB THR A 47 0.666 13.562 -11.827 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.539 15.158 -13.049 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.786 13.387 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.217 12.802 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.977 14.406 -10.589 1.00 0.00 H new ATOM 630 N ARG A 48 -0.873 16.218 -8.926 1.00 0.00 N ATOM 631 CA ARG A 48 -1.424 17.503 -8.514 1.00 0.00 C ATOM 632 C ARG A 48 -0.663 18.061 -7.315 1.00 0.00 C ATOM 633 O ARG A 48 -0.784 19.241 -6.985 1.00 0.00 O ATOM 634 CB ARG A 48 -2.907 17.359 -8.167 1.00 0.00 C ATOM 635 CG ARG A 48 -3.828 17.478 -9.371 1.00 0.00 C ATOM 636 CD ARG A 48 -3.998 18.926 -9.801 1.00 0.00 C ATOM 637 NE ARG A 48 -5.096 19.090 -10.751 1.00 0.00 N ATOM 638 CZ ARG A 48 -6.376 18.957 -10.424 1.00 0.00 C ATOM 639 NH1 ARG A 48 -6.719 18.660 -9.178 1.00 0.00 N ATOM 640 NH2 ARG A 48 -7.318 19.121 -11.345 1.00 0.00 N ATOM 0 H ARG A 48 -1.402 15.409 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.318 18.199 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.068 16.392 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.177 18.122 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.423 16.897 -10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.802 17.052 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.183 19.545 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.072 19.281 -10.253 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.867 19.319 -11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.999 18.533 -8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.703 18.559 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.059 19.349 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.301 19.019 -11.093 1.00 0.00 H new ATOM 654 N ALA A 49 0.121 17.206 -6.668 1.00 0.00 N ATOM 655 CA ALA A 49 0.903 17.613 -5.507 1.00 0.00 C ATOM 656 C ALA A 49 2.290 18.094 -5.921 1.00 0.00 C ATOM 657 O ALA A 49 2.724 19.178 -5.533 1.00 0.00 O ATOM 658 CB ALA A 49 1.015 16.465 -4.516 1.00 0.00 C ATOM 0 H ALA A 49 0.232 16.226 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 49 0.387 18.444 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.602 16.784 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.019 16.170 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.505 15.617 -4.995 1.00 0.00 H new ATOM 664 N GLY A 50 2.983 17.279 -6.711 1.00 0.00 N ATOM 665 CA GLY A 50 4.314 17.638 -7.164 1.00 0.00 C ATOM 666 C GLY A 50 5.165 16.425 -7.484 1.00 0.00 C ATOM 667 O GLY A 50 5.008 15.357 -6.892 1.00 0.00 O ATOM 0 H GLY A 50 2.646 16.376 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.235 18.267 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.808 18.232 -6.395 1.00 0.00 H new ATOM 671 N PRO A 51 6.089 16.582 -8.443 1.00 0.00 N ATOM 672 CA PRO A 51 6.985 15.501 -8.864 1.00 0.00 C ATOM 673 C PRO A 51 8.013 15.151 -7.794 1.00 0.00 C ATOM 674 O PRO A 51 8.190 15.888 -6.825 1.00 0.00 O ATOM 675 CB PRO A 51 7.676 16.075 -10.103 1.00 0.00 C ATOM 676 CG PRO A 51 7.617 17.552 -9.920 1.00 0.00 C ATOM 677 CD PRO A 51 6.330 17.828 -9.191 1.00 0.00 C ATOM 0 HA PRO A 51 6.444 14.573 -9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.706 15.726 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.168 15.769 -11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.474 17.909 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.639 18.066 -10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.421 18.686 -8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.516 18.046 -9.882 1.00 0.00 H new ATOM 685 N GLY A 52 8.691 14.022 -7.977 1.00 0.00 N ATOM 686 CA GLY A 52 9.694 13.595 -7.019 1.00 0.00 C ATOM 687 C GLY A 52 9.702 12.092 -6.820 1.00 0.00 C ATOM 688 O GLY A 52 8.833 11.385 -7.330 1.00 0.00 O ATOM 0 H GLY A 52 8.563 13.395 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.678 13.919 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.510 14.084 -6.062 1.00 0.00 H new ATOM 692 N THR A 53 10.689 11.601 -6.077 1.00 0.00 N ATOM 693 CA THR A 53 10.810 10.172 -5.813 1.00 0.00 C ATOM 694 C THR A 53 9.929 9.753 -4.642 1.00 0.00 C ATOM 695 O THR A 53 9.599 10.566 -3.778 1.00 0.00 O ATOM 696 CB THR A 53 12.268 9.778 -5.512 1.00 0.00 C ATOM 697 OG1 THR A 53 13.105 10.110 -6.625 1.00 0.00 O ATOM 698 CG2 THR A 53 12.375 8.289 -5.217 1.00 0.00 C ATOM 0 H THR A 53 11.417 12.172 -5.647 1.00 0.00 H new ATOM 0 HA THR A 53 10.481 9.655 -6.714 1.00 0.00 H new ATOM 0 HB THR A 53 12.597 10.332 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.031 9.858 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.414 8.033 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.759 8.044 -4.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.029 7.721 -6.081 1.00 0.00 H new ATOM 706 N LEU A 54 9.552 8.479 -4.618 1.00 0.00 N ATOM 707 CA LEU A 54 8.709 7.951 -3.550 1.00 0.00 C ATOM 708 C LEU A 54 9.268 6.636 -3.016 1.00 0.00 C ATOM 709 O LEU A 54 10.086 5.987 -3.667 1.00 0.00 O ATOM 710 CB LEU A 54 7.281 7.743 -4.057 1.00 0.00 C ATOM 711 CG LEU A 54 7.056 6.519 -4.945 1.00 0.00 C ATOM 712 CD1 LEU A 54 5.569 6.269 -5.143 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.751 6.698 -6.287 1.00 0.00 C ATOM 0 H LEU A 54 9.816 7.793 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 54 8.697 8.677 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.618 7.668 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.981 8.631 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 54 7.487 5.650 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.428 5.394 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.097 6.095 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.114 7.138 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.580 5.817 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.350 7.578 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.822 6.827 -6.128 1.00 0.00 H new ATOM 725 N SER A 55 8.820 6.249 -1.826 1.00 0.00 N ATOM 726 CA SER A 55 9.276 5.012 -1.202 1.00 0.00 C ATOM 727 C SER A 55 8.104 4.069 -0.945 1.00 0.00 C ATOM 728 O SER A 55 7.340 4.254 0.002 1.00 0.00 O ATOM 729 CB SER A 55 10.000 5.315 0.111 1.00 0.00 C ATOM 730 OG SER A 55 11.324 5.759 -0.127 1.00 0.00 O ATOM 0 H SER A 55 8.142 6.774 -1.274 1.00 0.00 H new ATOM 0 HA SER A 55 9.970 4.523 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.452 6.077 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.020 4.421 0.734 1.00 0.00 H new ATOM 0 HG SER A 55 11.764 5.948 0.728 1.00 0.00 H new ATOM 736 N VAL A 56 7.970 3.057 -1.796 1.00 0.00 N ATOM 737 CA VAL A 56 6.893 2.083 -1.662 1.00 0.00 C ATOM 738 C VAL A 56 7.439 0.707 -1.300 1.00 0.00 C ATOM 739 O VAL A 56 8.251 0.137 -2.030 1.00 0.00 O ATOM 740 CB VAL A 56 6.071 1.973 -2.960 1.00 0.00 C ATOM 741 CG1 VAL A 56 4.981 0.922 -2.814 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.476 3.323 -3.329 1.00 0.00 C ATOM 0 H VAL A 56 8.594 2.890 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 56 6.245 2.436 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 56 6.736 1.662 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.411 0.858 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.435 -0.046 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.315 1.199 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.898 3.227 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.824 3.665 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.278 4.046 -3.478 1.00 0.00 H new ATOM 752 N THR A 57 6.987 0.175 -0.168 1.00 0.00 N ATOM 753 CA THR A 57 7.430 -1.135 0.291 1.00 0.00 C ATOM 754 C THR A 57 6.265 -1.944 0.851 1.00 0.00 C ATOM 755 O THR A 57 5.647 -1.555 1.842 1.00 0.00 O ATOM 756 CB THR A 57 8.520 -1.011 1.372 1.00 0.00 C ATOM 757 OG1 THR A 57 9.552 -0.123 0.928 1.00 0.00 O ATOM 758 CG2 THR A 57 9.119 -2.372 1.694 1.00 0.00 C ATOM 0 H THR A 57 6.314 0.632 0.447 1.00 0.00 H new ATOM 0 HA THR A 57 7.844 -1.651 -0.575 1.00 0.00 H new ATOM 0 HB THR A 57 8.061 -0.610 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.240 -0.049 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.886 -2.260 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.336 -3.037 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.564 -2.796 0.794 1.00 0.00 H new ATOM 766 N ILE A 58 5.972 -3.070 0.210 1.00 0.00 N ATOM 767 CA ILE A 58 4.883 -3.935 0.645 1.00 0.00 C ATOM 768 C ILE A 58 5.395 -5.053 1.548 1.00 0.00 C ATOM 769 O ILE A 58 6.486 -5.580 1.340 1.00 0.00 O ATOM 770 CB ILE A 58 4.144 -4.557 -0.554 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.759 -3.473 -1.562 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.910 -5.312 -0.083 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.419 -4.015 -2.933 1.00 0.00 C ATOM 0 H ILE A 58 6.474 -3.405 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 58 4.188 -3.309 1.204 1.00 0.00 H new ATOM 0 HB ILE A 58 4.812 -5.264 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.903 -2.918 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.583 -2.765 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.399 -5.746 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.209 -6.107 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.237 -4.625 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.156 -3.190 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.281 -4.545 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.575 -4.701 -2.854 1.00 0.00 H new ATOM 785 N GLU A 59 4.597 -5.409 2.550 1.00 0.00 N ATOM 786 CA GLU A 59 4.970 -6.465 3.484 1.00 0.00 C ATOM 787 C GLU A 59 3.879 -7.528 3.567 1.00 0.00 C ATOM 788 O GLU A 59 2.697 -7.236 3.386 1.00 0.00 O ATOM 789 CB GLU A 59 5.233 -5.878 4.873 1.00 0.00 C ATOM 790 CG GLU A 59 6.652 -5.369 5.060 1.00 0.00 C ATOM 791 CD GLU A 59 6.747 -4.277 6.107 1.00 0.00 C ATOM 792 OE1 GLU A 59 6.344 -4.527 7.262 1.00 0.00 O ATOM 793 OE2 GLU A 59 7.224 -3.173 5.772 1.00 0.00 O ATOM 0 H GLU A 59 3.689 -4.982 2.736 1.00 0.00 H new ATOM 0 HA GLU A 59 5.883 -6.934 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.536 -5.059 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.027 -6.640 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.297 -6.199 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.026 -4.989 4.109 1.00 0.00 H new ATOM 800 N GLY A 60 4.284 -8.764 3.842 1.00 0.00 N ATOM 801 CA GLY A 60 3.330 -9.853 3.944 1.00 0.00 C ATOM 802 C GLY A 60 4.000 -11.190 4.186 1.00 0.00 C ATOM 803 O GLY A 60 5.225 -11.309 4.159 1.00 0.00 O ATOM 0 H GLY A 60 5.256 -9.031 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.634 -9.647 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.743 -9.905 3.027 1.00 0.00 H new ATOM 807 N PRO A 61 3.187 -12.228 4.432 1.00 0.00 N ATOM 808 CA PRO A 61 3.686 -13.583 4.687 1.00 0.00 C ATOM 809 C PRO A 61 4.287 -14.223 3.440 1.00 0.00 C ATOM 810 O PRO A 61 5.219 -15.022 3.528 1.00 0.00 O ATOM 811 CB PRO A 61 2.435 -14.345 5.129 1.00 0.00 C ATOM 812 CG PRO A 61 1.301 -13.604 4.509 1.00 0.00 C ATOM 813 CD PRO A 61 1.716 -12.159 4.480 1.00 0.00 C ATOM 0 HA PRO A 61 4.488 -13.590 5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.463 -15.381 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.347 -14.366 6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.098 -13.972 3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.386 -13.736 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.309 -11.641 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.367 -11.623 5.363 1.00 0.00 H new ATOM 821 N SER A 62 3.747 -13.866 2.279 1.00 0.00 N ATOM 822 CA SER A 62 4.228 -14.409 1.013 1.00 0.00 C ATOM 823 C SER A 62 5.089 -13.388 0.277 1.00 0.00 C ATOM 824 O SER A 62 4.634 -12.290 -0.044 1.00 0.00 O ATOM 825 CB SER A 62 3.049 -14.828 0.133 1.00 0.00 C ATOM 826 OG SER A 62 3.418 -15.871 -0.752 1.00 0.00 O ATOM 0 H SER A 62 2.977 -13.204 2.188 1.00 0.00 H new ATOM 0 HA SER A 62 4.839 -15.285 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.221 -15.156 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.695 -13.970 -0.439 1.00 0.00 H new ATOM 0 HG SER A 62 2.616 -16.230 -1.187 1.00 0.00 H new ATOM 832 N LYS A 63 6.337 -13.758 0.012 1.00 0.00 N ATOM 833 CA LYS A 63 7.265 -12.877 -0.688 1.00 0.00 C ATOM 834 C LYS A 63 6.821 -12.654 -2.130 1.00 0.00 C ATOM 835 O LYS A 63 6.801 -13.585 -2.935 1.00 0.00 O ATOM 836 CB LYS A 63 8.677 -13.466 -0.664 1.00 0.00 C ATOM 837 CG LYS A 63 9.773 -12.427 -0.825 1.00 0.00 C ATOM 838 CD LYS A 63 10.188 -11.841 0.514 1.00 0.00 C ATOM 839 CE LYS A 63 11.231 -10.747 0.345 1.00 0.00 C ATOM 840 NZ LYS A 63 11.490 -10.025 1.622 1.00 0.00 N ATOM 0 H LYS A 63 6.730 -14.663 0.272 1.00 0.00 H new ATOM 0 HA LYS A 63 7.270 -11.915 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.825 -13.995 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.767 -14.204 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.638 -12.881 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.425 -11.629 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.313 -11.435 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.588 -12.631 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.160 -11.185 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.894 -10.038 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.206 -9.288 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.609 -9.586 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.836 -10.697 2.337 1.00 0.00 H new ATOM 854 N VAL A 64 6.466 -11.414 -2.450 1.00 0.00 N ATOM 855 CA VAL A 64 6.025 -11.068 -3.796 1.00 0.00 C ATOM 856 C VAL A 64 6.981 -10.078 -4.451 1.00 0.00 C ATOM 857 O VAL A 64 7.470 -9.150 -3.806 1.00 0.00 O ATOM 858 CB VAL A 64 4.607 -10.465 -3.785 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.578 -11.528 -3.432 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.534 -9.297 -2.813 1.00 0.00 C ATOM 0 H VAL A 64 6.475 -10.632 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 64 6.014 -11.993 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 64 4.381 -10.092 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.583 -11.084 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.615 -12.330 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.798 -11.933 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.526 -8.882 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.780 -9.643 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.244 -8.527 -3.115 1.00 0.00 H new ATOM 870 N LYS A 65 7.244 -10.280 -5.738 1.00 0.00 N ATOM 871 CA LYS A 65 8.141 -9.404 -6.483 1.00 0.00 C ATOM 872 C LYS A 65 7.416 -8.141 -6.934 1.00 0.00 C ATOM 873 O LYS A 65 6.737 -8.137 -7.961 1.00 0.00 O ATOM 874 CB LYS A 65 8.712 -10.139 -7.697 1.00 0.00 C ATOM 875 CG LYS A 65 9.939 -10.976 -7.380 1.00 0.00 C ATOM 876 CD LYS A 65 10.618 -11.472 -8.646 1.00 0.00 C ATOM 877 CE LYS A 65 9.970 -12.748 -9.163 1.00 0.00 C ATOM 878 NZ LYS A 65 10.023 -13.844 -8.156 1.00 0.00 N ATOM 0 H LYS A 65 6.848 -11.043 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 65 8.959 -9.116 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.940 -10.785 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.969 -9.409 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.644 -10.384 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.651 -11.827 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.567 -10.700 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.674 -11.654 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.932 -12.547 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.474 -13.068 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.350 -14.719 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.681 -13.584 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.074 -13.995 -7.757 1.00 0.00 H new ATOM 892 N MET A 66 7.567 -7.070 -6.162 1.00 0.00 N ATOM 893 CA MET A 66 6.928 -5.799 -6.485 1.00 0.00 C ATOM 894 C MET A 66 7.594 -5.148 -7.693 1.00 0.00 C ATOM 895 O MET A 66 8.784 -4.832 -7.663 1.00 0.00 O ATOM 896 CB MET A 66 6.988 -4.853 -5.284 1.00 0.00 C ATOM 897 CG MET A 66 6.408 -5.450 -4.012 1.00 0.00 C ATOM 898 SD MET A 66 7.640 -6.329 -3.032 1.00 0.00 S ATOM 899 CE MET A 66 8.246 -5.008 -1.985 1.00 0.00 C ATOM 0 H MET A 66 8.126 -7.057 -5.309 1.00 0.00 H new ATOM 0 HA MET A 66 5.885 -5.997 -6.730 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.026 -4.573 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.448 -3.938 -5.525 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.970 -4.655 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.601 -6.134 -4.272 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.329 -5.087 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.990 -4.046 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.788 -5.086 -0.999 1.00 0.00 H new ATOM 909 N ASP A 67 6.820 -4.950 -8.754 1.00 0.00 N ATOM 910 CA ASP A 67 7.335 -4.335 -9.972 1.00 0.00 C ATOM 911 C ASP A 67 6.519 -3.102 -10.346 1.00 0.00 C ATOM 912 O ASP A 67 5.336 -3.205 -10.676 1.00 0.00 O ATOM 913 CB ASP A 67 7.317 -5.342 -11.124 1.00 0.00 C ATOM 914 CG ASP A 67 8.206 -4.918 -12.277 1.00 0.00 C ATOM 915 OD1 ASP A 67 9.426 -4.769 -12.061 1.00 0.00 O ATOM 916 OD2 ASP A 67 7.680 -4.736 -13.395 1.00 0.00 O ATOM 0 H ASP A 67 5.834 -5.206 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 67 8.363 -4.025 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.642 -6.315 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.295 -5.462 -11.482 1.00 0.00 H new ATOM 921 N CYS A 68 7.156 -1.938 -10.291 1.00 0.00 N ATOM 922 CA CYS A 68 6.489 -0.684 -10.622 1.00 0.00 C ATOM 923 C CYS A 68 7.239 0.057 -11.724 1.00 0.00 C ATOM 924 O CYS A 68 8.469 0.077 -11.744 1.00 0.00 O ATOM 925 CB CYS A 68 6.376 0.201 -9.380 1.00 0.00 C ATOM 926 SG CYS A 68 7.960 0.828 -8.775 1.00 0.00 S ATOM 0 H CYS A 68 8.134 -1.836 -10.020 1.00 0.00 H new ATOM 0 HA CYS A 68 5.488 -0.918 -10.984 1.00 0.00 H new ATOM 0 HB2 CYS A 68 5.726 1.046 -9.607 1.00 0.00 H new ATOM 0 HB3 CYS A 68 5.894 -0.367 -8.584 1.00 0.00 H new ATOM 0 HG CYS A 68 8.838 0.784 -9.732 1.00 0.00 H new ATOM 932 N GLN A 69 6.489 0.663 -12.639 1.00 0.00 N ATOM 933 CA GLN A 69 7.084 1.404 -13.745 1.00 0.00 C ATOM 934 C GLN A 69 6.727 2.884 -13.664 1.00 0.00 C ATOM 935 O GLN A 69 6.042 3.317 -12.738 1.00 0.00 O ATOM 936 CB GLN A 69 6.618 0.827 -15.083 1.00 0.00 C ATOM 937 CG GLN A 69 5.106 0.746 -15.216 1.00 0.00 C ATOM 938 CD GLN A 69 4.663 0.337 -16.607 1.00 0.00 C ATOM 939 OE1 GLN A 69 4.612 1.159 -17.522 1.00 0.00 O ATOM 940 NE2 GLN A 69 4.340 -0.941 -16.774 1.00 0.00 N ATOM 0 H GLN A 69 5.469 0.655 -12.636 1.00 0.00 H new ATOM 0 HA GLN A 69 8.167 1.306 -13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.013 1.442 -15.892 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.039 -0.171 -15.206 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.719 0.030 -14.491 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.671 1.715 -14.971 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.397 -1.588 -15.988 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.035 -1.275 -17.688 1.00 0.00 H new ATOM 949 N GLU A 70 7.196 3.655 -14.640 1.00 0.00 N ATOM 950 CA GLU A 70 6.926 5.088 -14.677 1.00 0.00 C ATOM 951 C GLU A 70 5.599 5.373 -15.377 1.00 0.00 C ATOM 952 O GLU A 70 5.274 4.758 -16.393 1.00 0.00 O ATOM 953 CB GLU A 70 8.060 5.825 -15.392 1.00 0.00 C ATOM 954 CG GLU A 70 7.911 5.854 -16.904 1.00 0.00 C ATOM 955 CD GLU A 70 9.155 6.365 -17.603 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.227 6.394 -16.964 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.056 6.737 -18.792 1.00 0.00 O ATOM 0 H GLU A 70 7.764 3.312 -15.415 1.00 0.00 H new ATOM 0 HA GLU A 70 6.860 5.446 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.107 6.849 -15.021 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.007 5.350 -15.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.684 4.850 -17.262 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.064 6.486 -17.170 1.00 0.00 H new ATOM 964 N THR A 71 4.836 6.311 -14.824 1.00 0.00 N ATOM 965 CA THR A 71 3.545 6.678 -15.392 1.00 0.00 C ATOM 966 C THR A 71 3.321 8.184 -15.322 1.00 0.00 C ATOM 967 O THR A 71 3.840 8.873 -14.443 1.00 0.00 O ATOM 968 CB THR A 71 2.389 5.964 -14.666 1.00 0.00 C ATOM 969 OG1 THR A 71 2.437 6.253 -13.265 1.00 0.00 O ATOM 970 CG2 THR A 71 2.461 4.460 -14.882 1.00 0.00 C ATOM 0 H THR A 71 5.090 6.830 -13.984 1.00 0.00 H new ATOM 0 HA THR A 71 3.558 6.364 -16.436 1.00 0.00 H new ATOM 0 HB THR A 71 1.449 6.330 -15.079 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.698 5.797 -12.811 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.635 3.977 -14.360 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.394 4.242 -15.948 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.406 4.081 -14.493 1.00 0.00 H new ATOM 978 N PRO A 72 2.529 8.711 -16.268 1.00 0.00 N ATOM 979 CA PRO A 72 2.218 10.141 -16.333 1.00 0.00 C ATOM 980 C PRO A 72 1.315 10.591 -15.190 1.00 0.00 C ATOM 981 O PRO A 72 0.926 11.756 -15.116 1.00 0.00 O ATOM 982 CB PRO A 72 1.494 10.286 -17.674 1.00 0.00 C ATOM 983 CG PRO A 72 0.912 8.940 -17.938 1.00 0.00 C ATOM 984 CD PRO A 72 1.877 7.949 -17.346 1.00 0.00 C ATOM 0 HA PRO A 72 3.113 10.757 -16.247 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.718 11.050 -17.624 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.182 10.582 -18.466 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.074 8.845 -17.483 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.787 8.772 -19.008 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.363 7.068 -16.961 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.599 7.600 -18.085 1.00 0.00 H new ATOM 992 N GLU A 73 0.987 9.660 -14.300 1.00 0.00 N ATOM 993 CA GLU A 73 0.129 9.962 -13.160 1.00 0.00 C ATOM 994 C GLU A 73 0.911 9.874 -11.852 1.00 0.00 C ATOM 995 O GLU A 73 0.578 10.537 -10.871 1.00 0.00 O ATOM 996 CB GLU A 73 -1.062 9.003 -13.120 1.00 0.00 C ATOM 997 CG GLU A 73 -2.226 9.441 -13.993 1.00 0.00 C ATOM 998 CD GLU A 73 -2.113 8.929 -15.416 1.00 0.00 C ATOM 999 OE1 GLU A 73 -2.399 7.735 -15.642 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -1.740 9.725 -16.303 1.00 0.00 O ATOM 0 H GLU A 73 1.302 8.691 -14.346 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.239 10.981 -13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.732 8.014 -13.438 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.407 8.908 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.158 9.084 -13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.276 10.530 -14.005 1.00 0.00 H new ATOM 1007 N GLY A 74 1.954 9.049 -11.847 1.00 0.00 N ATOM 1008 CA GLY A 74 2.767 8.888 -10.656 1.00 0.00 C ATOM 1009 C GLY A 74 3.636 7.647 -10.711 1.00 0.00 C ATOM 1010 O GLY A 74 4.724 7.668 -11.286 1.00 0.00 O ATOM 0 H GLY A 74 2.250 8.489 -12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.400 9.766 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.119 8.835 -9.781 1.00 0.00 H new ATOM 1014 N TYR A 75 3.156 6.564 -10.110 1.00 0.00 N ATOM 1015 CA TYR A 75 3.899 5.309 -10.089 1.00 0.00 C ATOM 1016 C TYR A 75 2.968 4.130 -9.826 1.00 0.00 C ATOM 1017 O TYR A 75 2.431 3.979 -8.728 1.00 0.00 O ATOM 1018 CB TYR A 75 4.993 5.358 -9.020 1.00 0.00 C ATOM 1019 CG TYR A 75 6.014 6.449 -9.249 1.00 0.00 C ATOM 1020 CD1 TYR A 75 7.065 6.268 -10.140 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.930 7.660 -8.573 1.00 0.00 C ATOM 1022 CE1 TYR A 75 8.001 7.262 -10.352 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.861 8.660 -8.780 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.894 8.456 -9.670 1.00 0.00 C ATOM 1025 OH TYR A 75 8.824 9.449 -9.877 1.00 0.00 O ATOM 0 H TYR A 75 2.256 6.530 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 75 4.361 5.173 -11.067 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.530 5.504 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.503 4.395 -8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.152 5.334 -10.676 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.123 7.823 -7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.812 7.105 -11.048 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.780 9.596 -8.248 1.00 0.00 H new ATOM 0 HH TYR A 75 8.849 10.042 -9.097 1.00 0.00 H new ATOM 1035 N LYS A 76 2.782 3.294 -10.842 1.00 0.00 N ATOM 1036 CA LYS A 76 1.918 2.125 -10.724 1.00 0.00 C ATOM 1037 C LYS A 76 2.679 0.945 -10.129 1.00 0.00 C ATOM 1038 O LYS A 76 3.769 0.602 -10.587 1.00 0.00 O ATOM 1039 CB LYS A 76 1.352 1.743 -12.094 1.00 0.00 C ATOM 1040 CG LYS A 76 0.200 0.756 -12.022 1.00 0.00 C ATOM 1041 CD LYS A 76 -0.228 0.297 -13.405 1.00 0.00 C ATOM 1042 CE LYS A 76 0.547 -0.935 -13.848 1.00 0.00 C ATOM 1043 NZ LYS A 76 0.505 -1.114 -15.326 1.00 0.00 N ATOM 0 H LYS A 76 3.218 3.404 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 76 1.095 2.378 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.015 2.646 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.150 1.314 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.496 -0.108 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.646 1.219 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.295 0.075 -13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.072 1.103 -14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.583 -0.849 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.133 -1.819 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.044 -1.964 -15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.482 -1.221 -15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.924 -0.282 -15.789 1.00 0.00 H new ATOM 1057 N VAL A 77 2.096 0.325 -9.108 1.00 0.00 N ATOM 1058 CA VAL A 77 2.718 -0.819 -8.452 1.00 0.00 C ATOM 1059 C VAL A 77 1.939 -2.101 -8.727 1.00 0.00 C ATOM 1060 O VAL A 77 0.714 -2.132 -8.609 1.00 0.00 O ATOM 1061 CB VAL A 77 2.817 -0.609 -6.930 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.381 -1.849 -6.254 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.667 0.613 -6.615 1.00 0.00 C ATOM 0 H VAL A 77 1.194 0.596 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 77 3.723 -0.912 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 77 1.814 -0.437 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.443 -1.681 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.728 -2.699 -6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.376 -2.057 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.726 0.746 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.670 0.473 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.215 1.497 -7.065 1.00 0.00 H new ATOM 1073 N MET A 78 2.658 -3.156 -9.094 1.00 0.00 N ATOM 1074 CA MET A 78 2.033 -4.442 -9.384 1.00 0.00 C ATOM 1075 C MET A 78 2.538 -5.519 -8.430 1.00 0.00 C ATOM 1076 O MET A 78 3.740 -5.637 -8.191 1.00 0.00 O ATOM 1077 CB MET A 78 2.313 -4.854 -10.831 1.00 0.00 C ATOM 1078 CG MET A 78 2.006 -3.763 -11.844 1.00 0.00 C ATOM 1079 SD MET A 78 2.647 -4.140 -13.486 1.00 0.00 S ATOM 1080 CE MET A 78 3.958 -2.928 -13.624 1.00 0.00 C ATOM 0 H MET A 78 3.673 -3.147 -9.198 1.00 0.00 H new ATOM 0 HA MET A 78 0.957 -4.335 -9.246 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.361 -5.139 -10.923 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.721 -5.737 -11.070 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.927 -3.621 -11.903 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.433 -2.821 -11.499 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.783 -3.348 -14.199 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.580 -2.039 -14.128 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.310 -2.658 -12.628 1.00 0.00 H new ATOM 1090 N TYR A 79 1.613 -6.302 -7.886 1.00 0.00 N ATOM 1091 CA TYR A 79 1.964 -7.368 -6.955 1.00 0.00 C ATOM 1092 C TYR A 79 0.947 -8.504 -7.019 1.00 0.00 C ATOM 1093 O TYR A 79 -0.258 -8.271 -7.111 1.00 0.00 O ATOM 1094 CB TYR A 79 2.046 -6.822 -5.529 1.00 0.00 C ATOM 1095 CG TYR A 79 0.705 -6.734 -4.836 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.075 -5.589 -4.932 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.218 -7.797 -4.086 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.301 -5.504 -4.299 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.006 -7.723 -3.451 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.762 -6.574 -3.561 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.983 -6.494 -2.930 1.00 0.00 O ATOM 0 H TYR A 79 0.614 -6.218 -8.074 1.00 0.00 H new ATOM 0 HA TYR A 79 2.939 -7.761 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.707 -7.459 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.498 -5.831 -5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.282 -4.750 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.807 -8.698 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.894 -4.605 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.369 -8.559 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.447 -5.680 -3.217 1.00 0.00 H new ATOM 1111 N THR A 80 1.443 -9.737 -6.968 1.00 0.00 N ATOM 1112 CA THR A 80 0.580 -10.910 -7.020 1.00 0.00 C ATOM 1113 C THR A 80 0.917 -11.890 -5.902 1.00 0.00 C ATOM 1114 O THR A 80 1.863 -12.673 -5.994 1.00 0.00 O ATOM 1115 CB THR A 80 0.698 -11.634 -8.375 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.148 -10.819 -9.416 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.024 -12.972 -8.338 1.00 0.00 C ATOM 0 H THR A 80 2.438 -9.948 -6.891 1.00 0.00 H new ATOM 0 HA THR A 80 -0.443 -10.556 -6.893 1.00 0.00 H new ATOM 0 HB THR A 80 1.754 -11.814 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.499 -11.114 -10.282 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.073 -13.465 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.416 -13.602 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.079 -12.810 -8.118 1.00 0.00 H new ATOM 1125 N PRO A 81 0.126 -11.849 -4.820 1.00 0.00 N ATOM 1126 CA PRO A 81 0.320 -12.728 -3.664 1.00 0.00 C ATOM 1127 C PRO A 81 -0.019 -14.182 -3.977 1.00 0.00 C ATOM 1128 O PRO A 81 -1.041 -14.470 -4.598 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.651 -12.165 -2.623 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.709 -11.484 -3.421 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.020 -10.941 -4.643 1.00 0.00 C ATOM 0 HA PRO A 81 1.359 -12.743 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.071 -12.958 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.151 -11.467 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.500 -12.182 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.176 -10.683 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.678 -10.950 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.697 -9.910 -4.498 1.00 0.00 H new ATOM 1139 N MET A 82 0.846 -15.093 -3.543 1.00 0.00 N ATOM 1140 CA MET A 82 0.637 -16.517 -3.777 1.00 0.00 C ATOM 1141 C MET A 82 -0.097 -17.158 -2.603 1.00 0.00 C ATOM 1142 O MET A 82 -0.760 -18.183 -2.759 1.00 0.00 O ATOM 1143 CB MET A 82 1.976 -17.221 -4.002 1.00 0.00 C ATOM 1144 CG MET A 82 2.481 -17.123 -5.432 1.00 0.00 C ATOM 1145 SD MET A 82 1.545 -18.160 -6.572 1.00 0.00 S ATOM 1146 CE MET A 82 1.897 -17.352 -8.131 1.00 0.00 C ATOM 0 H MET A 82 1.698 -14.871 -3.028 1.00 0.00 H new ATOM 0 HA MET A 82 0.023 -16.627 -4.671 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.720 -16.791 -3.332 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.874 -18.272 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.426 -16.086 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.531 -17.412 -5.463 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.387 -17.879 -8.937 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.547 -16.320 -8.093 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.972 -17.364 -8.313 1.00 0.00 H new ATOM 1156 N ALA A 83 0.026 -16.547 -1.429 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.628 -17.058 -0.231 1.00 0.00 C ATOM 1158 C ALA A 83 -1.432 -15.965 0.464 1.00 0.00 C ATOM 1159 O ALA A 83 -1.041 -14.798 0.496 1.00 0.00 O ATOM 1160 CB ALA A 83 0.403 -17.644 0.723 1.00 0.00 C ATOM 0 H ALA A 83 0.572 -15.698 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.319 -17.846 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.099 -18.022 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.932 -18.460 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.115 -16.870 1.009 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.584 -16.349 1.034 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.468 -15.415 1.739 1.00 0.00 C ATOM 1168 C PRO A 84 -2.867 -14.927 3.052 1.00 0.00 C ATOM 1169 O PRO A 84 -1.815 -15.402 3.479 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.725 -16.248 2.003 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.249 -17.659 2.018 1.00 0.00 C ATOM 1172 CD PRO A 84 -3.112 -17.723 1.035 1.00 0.00 C ATOM 0 HA PRO A 84 -3.653 -14.511 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.188 -15.976 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.474 -16.091 1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.919 -17.949 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.049 -18.344 1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.355 -18.444 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.454 -18.023 0.044 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.543 -13.976 3.690 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.060 -13.440 4.949 1.00 0.00 C ATOM 1182 C GLY A 85 -3.249 -11.940 5.051 1.00 0.00 C ATOM 1183 O GLY A 85 -4.189 -11.386 4.483 1.00 0.00 O ATOM 0 H GLY A 85 -4.416 -13.567 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.584 -13.926 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.002 -13.678 5.060 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.354 -11.280 5.780 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.429 -9.834 5.957 1.00 0.00 C ATOM 1189 C ASN A 86 -1.237 -9.144 5.301 1.00 0.00 C ATOM 1190 O ASN A 86 -0.085 -9.424 5.632 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.480 -9.484 7.446 1.00 0.00 C ATOM 1192 CG ASN A 86 -3.175 -10.551 8.268 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -2.641 -11.642 8.468 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -4.374 -10.241 8.748 1.00 0.00 N ATOM 0 H ASN A 86 -1.569 -11.723 6.257 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.341 -9.480 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.465 -9.346 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.999 -8.534 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.890 -10.920 9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.778 -9.324 8.557 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.523 -8.241 4.370 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.475 -7.511 3.665 1.00 0.00 C ATOM 1203 C TYR A 87 -0.481 -6.036 4.057 1.00 0.00 C ATOM 1204 O TYR A 87 -1.500 -5.503 4.498 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.657 -7.649 2.153 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.225 -8.993 1.612 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.796 -10.170 2.081 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.755 -9.087 0.632 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.404 -11.400 1.591 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.153 -10.313 0.134 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.570 -11.467 0.616 1.00 0.00 C ATOM 1212 OH TYR A 87 0.964 -12.690 0.124 1.00 0.00 O ATOM 0 H TYR A 87 -2.472 -7.997 4.086 1.00 0.00 H new ATOM 0 HA TYR A 87 0.486 -7.940 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.706 -7.487 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.087 -6.865 1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.560 -10.122 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.214 -8.186 0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.857 -12.305 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.916 -10.368 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 87 0.255 -13.349 0.279 1.00 0.00 H new ATOM 1222 N LEU A 88 0.664 -5.383 3.891 1.00 0.00 N ATOM 1223 CA LEU A 88 0.793 -3.969 4.226 1.00 0.00 C ATOM 1224 C LEU A 88 1.427 -3.193 3.076 1.00 0.00 C ATOM 1225 O LEU A 88 2.430 -3.621 2.504 1.00 0.00 O ATOM 1226 CB LEU A 88 1.632 -3.800 5.494 1.00 0.00 C ATOM 1227 CG LEU A 88 1.487 -2.462 6.221 1.00 0.00 C ATOM 1228 CD1 LEU A 88 0.190 -2.424 7.015 1.00 0.00 C ATOM 1229 CD2 LEU A 88 2.680 -2.218 7.133 1.00 0.00 C ATOM 0 H LEU A 88 1.516 -5.810 3.527 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.206 -3.570 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.370 -4.598 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.681 -3.937 5.232 1.00 0.00 H new ATOM 0 HG LEU A 88 1.457 -1.667 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.104 -1.465 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.655 -2.552 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.190 -3.228 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.559 -1.262 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.742 -3.017 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.594 -2.201 6.540 1.00 0.00 H new ATOM 1241 N ILE A 89 0.836 -2.050 2.744 1.00 0.00 N ATOM 1242 CA ILE A 89 1.345 -1.213 1.665 1.00 0.00 C ATOM 1243 C ILE A 89 1.723 0.174 2.176 1.00 0.00 C ATOM 1244 O ILE A 89 0.871 0.925 2.651 1.00 0.00 O ATOM 1245 CB ILE A 89 0.313 -1.067 0.531 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.027 -2.437 -0.058 1.00 0.00 C ATOM 1247 CG2 ILE A 89 0.842 -0.136 -0.550 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.130 -2.393 -1.093 1.00 0.00 C ATOM 0 H ILE A 89 0.005 -1.683 3.207 1.00 0.00 H new ATOM 0 HA ILE A 89 2.234 -1.708 1.274 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.598 -0.633 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.869 -2.861 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.324 -3.107 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.101 -0.043 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.038 0.846 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.766 -0.543 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.318 -3.399 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.039 -1.999 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.828 -1.749 -1.919 1.00 0.00 H new ATOM 1260 N SER A 90 3.005 0.507 2.073 1.00 0.00 N ATOM 1261 CA SER A 90 3.496 1.803 2.526 1.00 0.00 C ATOM 1262 C SER A 90 3.643 2.769 1.354 1.00 0.00 C ATOM 1263 O SER A 90 4.239 2.434 0.330 1.00 0.00 O ATOM 1264 CB SER A 90 4.840 1.642 3.240 1.00 0.00 C ATOM 1265 OG SER A 90 5.244 2.857 3.848 1.00 0.00 O ATOM 0 H SER A 90 3.722 -0.102 1.680 1.00 0.00 H new ATOM 0 HA SER A 90 2.768 2.215 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.762 0.861 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.598 1.319 2.526 1.00 0.00 H new ATOM 0 HG SER A 90 6.104 2.727 4.299 1.00 0.00 H new ATOM 1271 N VAL A 91 3.095 3.970 1.513 1.00 0.00 N ATOM 1272 CA VAL A 91 3.165 4.986 0.469 1.00 0.00 C ATOM 1273 C VAL A 91 3.598 6.331 1.041 1.00 0.00 C ATOM 1274 O VAL A 91 2.771 7.115 1.508 1.00 0.00 O ATOM 1275 CB VAL A 91 1.810 5.154 -0.242 1.00 0.00 C ATOM 1276 CG1 VAL A 91 1.924 6.158 -1.379 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.306 3.812 -0.752 1.00 0.00 C ATOM 0 H VAL A 91 2.598 4.263 2.354 1.00 0.00 H new ATOM 0 HA VAL A 91 3.906 4.647 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 91 1.087 5.538 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.956 6.263 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.237 7.124 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.661 5.807 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.347 3.950 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.026 3.397 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.183 3.127 0.087 1.00 0.00 H new ATOM 1287 N LYS A 92 4.899 6.594 1.000 1.00 0.00 N ATOM 1288 CA LYS A 92 5.444 7.846 1.511 1.00 0.00 C ATOM 1289 C LYS A 92 5.746 8.814 0.372 1.00 0.00 C ATOM 1290 O LYS A 92 6.215 8.409 -0.692 1.00 0.00 O ATOM 1291 CB LYS A 92 6.716 7.581 2.320 1.00 0.00 C ATOM 1292 CG LYS A 92 6.447 7.143 3.750 1.00 0.00 C ATOM 1293 CD LYS A 92 7.696 7.247 4.609 1.00 0.00 C ATOM 1294 CE LYS A 92 7.488 6.611 5.974 1.00 0.00 C ATOM 1295 NZ LYS A 92 7.830 5.162 5.969 1.00 0.00 N ATOM 0 H LYS A 92 5.597 5.956 0.618 1.00 0.00 H new ATOM 0 HA LYS A 92 4.696 8.300 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.303 6.812 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.323 8.486 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.657 7.760 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.086 6.115 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.529 6.759 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.968 8.295 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.102 7.127 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.449 6.738 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.675 4.765 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.226 4.665 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.828 5.042 5.703 1.00 0.00 H new ATOM 1309 N TYR A 93 5.477 10.094 0.602 1.00 0.00 N ATOM 1310 CA TYR A 93 5.720 11.120 -0.406 1.00 0.00 C ATOM 1311 C TYR A 93 6.141 12.434 0.244 1.00 0.00 C ATOM 1312 O TYR A 93 5.722 12.752 1.356 1.00 0.00 O ATOM 1313 CB TYR A 93 4.466 11.337 -1.255 1.00 0.00 C ATOM 1314 CG TYR A 93 4.504 12.605 -2.077 1.00 0.00 C ATOM 1315 CD1 TYR A 93 4.182 13.833 -1.511 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.862 12.576 -3.419 1.00 0.00 C ATOM 1317 CE1 TYR A 93 4.215 14.994 -2.259 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.898 13.733 -4.174 1.00 0.00 C ATOM 1319 CZ TYR A 93 4.573 14.939 -3.589 1.00 0.00 C ATOM 1320 OH TYR A 93 4.608 16.094 -4.337 1.00 0.00 O ATOM 0 H TYR A 93 5.090 10.446 1.478 1.00 0.00 H new ATOM 0 HA TYR A 93 6.531 10.777 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.337 10.485 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.595 11.364 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.901 13.880 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.117 11.633 -3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.962 15.940 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.179 13.693 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 93 4.481 15.875 -5.284 1.00 0.00 H new ATOM 1330 N GLY A 94 6.974 13.195 -0.459 1.00 0.00 N ATOM 1331 CA GLY A 94 7.439 14.466 0.063 1.00 0.00 C ATOM 1332 C GLY A 94 8.012 14.344 1.461 1.00 0.00 C ATOM 1333 O GLY A 94 7.639 15.094 2.361 1.00 0.00 O ATOM 0 H GLY A 94 7.335 12.953 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.199 14.873 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.612 15.176 0.073 1.00 0.00 H new ATOM 1337 N GLY A 95 8.923 13.392 1.644 1.00 0.00 N ATOM 1338 CA GLY A 95 9.533 13.190 2.945 1.00 0.00 C ATOM 1339 C GLY A 95 8.910 12.036 3.705 1.00 0.00 C ATOM 1340 O GLY A 95 8.236 11.179 3.132 1.00 0.00 O ATOM 0 H GLY A 95 9.249 12.758 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.599 13.004 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.437 14.102 3.533 1.00 0.00 H new ATOM 1344 N PRO A 96 9.134 12.002 5.027 1.00 0.00 N ATOM 1345 CA PRO A 96 8.599 10.948 5.894 1.00 0.00 C ATOM 1346 C PRO A 96 7.085 11.043 6.055 1.00 0.00 C ATOM 1347 O PRO A 96 6.388 10.030 6.064 1.00 0.00 O ATOM 1348 CB PRO A 96 9.296 11.203 7.233 1.00 0.00 C ATOM 1349 CG PRO A 96 9.637 12.653 7.213 1.00 0.00 C ATOM 1350 CD PRO A 96 9.928 12.990 5.777 1.00 0.00 C ATOM 0 HA PRO A 96 8.780 9.953 5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.643 10.962 8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.190 10.588 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.811 13.253 7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.501 12.860 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.631 14.011 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.991 12.906 5.552 1.00 0.00 H new ATOM 1358 N ASN A 97 6.584 12.267 6.181 1.00 0.00 N ATOM 1359 CA ASN A 97 5.152 12.494 6.341 1.00 0.00 C ATOM 1360 C ASN A 97 4.351 11.598 5.401 1.00 0.00 C ATOM 1361 O ASN A 97 4.423 11.739 4.180 1.00 0.00 O ATOM 1362 CB ASN A 97 4.814 13.962 6.076 1.00 0.00 C ATOM 1363 CG ASN A 97 5.892 14.904 6.577 1.00 0.00 C ATOM 1364 OD1 ASN A 97 6.078 15.066 7.783 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.608 15.530 5.651 1.00 0.00 N ATOM 0 H ASN A 97 7.148 13.117 6.175 1.00 0.00 H new ATOM 0 HA ASN A 97 4.883 12.246 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.673 14.112 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.868 14.207 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.347 16.176 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.419 15.365 4.662 1.00 0.00 H new ATOM 1372 N HIS A 98 3.586 10.677 5.979 1.00 0.00 N ATOM 1373 CA HIS A 98 2.770 9.758 5.194 1.00 0.00 C ATOM 1374 C HIS A 98 1.566 10.478 4.595 1.00 0.00 C ATOM 1375 O HIS A 98 1.302 11.638 4.914 1.00 0.00 O ATOM 1376 CB HIS A 98 2.301 8.590 6.062 1.00 0.00 C ATOM 1377 CG HIS A 98 1.732 9.014 7.381 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.613 9.812 7.496 1.00 0.00 N ATOM 1379 CD2 HIS A 98 2.133 8.746 8.645 1.00 0.00 C ATOM 1380 CE1 HIS A 98 0.352 10.017 8.775 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.259 9.381 9.493 1.00 0.00 N ATOM 0 H HIS A 98 3.514 10.548 6.988 1.00 0.00 H new ATOM 0 HA HIS A 98 3.383 9.372 4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.547 8.022 5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.141 7.918 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.982 8.145 8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.465 10.605 9.167 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.303 9.364 10.512 1.00 0.00 H new ATOM 1389 N ILE A 99 0.840 9.784 3.725 1.00 0.00 N ATOM 1390 CA ILE A 99 -0.336 10.357 3.082 1.00 0.00 C ATOM 1391 C ILE A 99 -1.619 9.867 3.745 1.00 0.00 C ATOM 1392 O ILE A 99 -1.590 8.981 4.599 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.382 10.012 1.582 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.547 8.503 1.389 1.00 0.00 C ATOM 1395 CG2 ILE A 99 0.877 10.506 0.886 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.104 8.125 0.034 1.00 0.00 C ATOM 0 H ILE A 99 1.046 8.824 3.449 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.262 11.439 3.195 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.241 10.513 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.421 8.020 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.207 8.115 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.829 10.255 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.955 11.587 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.750 10.031 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.194 7.041 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.086 8.579 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.433 8.482 -0.748 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.745 10.449 3.345 1.00 0.00 N ATOM 1409 CA VAL A 100 -4.040 10.070 3.897 1.00 0.00 C ATOM 1410 C VAL A 100 -4.285 8.573 3.746 1.00 0.00 C ATOM 1411 O VAL A 100 -3.907 7.969 2.743 1.00 0.00 O ATOM 1412 CB VAL A 100 -5.188 10.838 3.216 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.529 10.207 3.556 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -5.161 12.304 3.621 1.00 0.00 C ATOM 0 H VAL A 100 -2.786 11.185 2.640 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.019 10.327 4.956 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.050 10.780 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.328 10.764 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.543 9.173 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.679 10.231 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.979 12.832 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.273 12.385 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.211 12.747 3.321 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.921 7.978 4.751 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.206 6.556 4.710 1.00 0.00 C ATOM 1426 C GLY A 101 -3.990 5.711 5.032 1.00 0.00 C ATOM 1427 O GLY A 101 -4.058 4.802 5.859 1.00 0.00 O ATOM 0 H GLY A 101 -5.244 8.456 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.001 6.328 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.576 6.291 3.720 1.00 0.00 H new ATOM 1431 N SER A 102 -2.873 6.010 4.376 1.00 0.00 N ATOM 1432 CA SER A 102 -1.637 5.267 4.593 1.00 0.00 C ATOM 1433 C SER A 102 -1.249 5.277 6.069 1.00 0.00 C ATOM 1434 O SER A 102 -1.409 6.275 6.772 1.00 0.00 O ATOM 1435 CB SER A 102 -0.505 5.862 3.753 1.00 0.00 C ATOM 1436 OG SER A 102 0.674 5.085 3.862 1.00 0.00 O ATOM 0 H SER A 102 -2.799 6.761 3.690 1.00 0.00 H new ATOM 0 HA SER A 102 -1.804 4.235 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.813 5.917 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.303 6.882 4.080 1.00 0.00 H new ATOM 0 HG SER A 102 1.422 5.565 3.449 1.00 0.00 H new ATOM 1442 N PRO A 103 -0.726 4.140 6.550 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.531 2.946 5.722 1.00 0.00 C ATOM 1444 C PRO A 103 -1.851 2.289 5.332 1.00 0.00 C ATOM 1445 O PRO A 103 -2.877 2.501 5.979 1.00 0.00 O ATOM 1446 CB PRO A 103 0.282 2.016 6.626 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.053 2.447 8.012 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.285 3.931 7.939 1.00 0.00 C ATOM 0 HA PRO A 103 -0.040 3.181 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.016 0.972 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.350 2.108 6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.941 1.931 8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.759 2.212 8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.042 4.255 8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.623 4.491 8.161 1.00 0.00 H new ATOM 1456 N PHE A 104 -1.819 1.491 4.270 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.013 0.803 3.793 1.00 0.00 C ATOM 1458 C PHE A 104 -2.961 -0.682 4.141 1.00 0.00 C ATOM 1459 O PHE A 104 -2.083 -1.410 3.678 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.159 0.979 2.280 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.116 2.413 1.837 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.253 3.203 1.888 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.937 2.972 1.369 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.216 4.523 1.480 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.894 4.292 0.959 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.035 5.068 1.016 1.00 0.00 C ATOM 0 H PHE A 104 -0.979 1.305 3.723 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.878 1.244 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.362 0.428 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.102 0.536 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.179 2.782 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.042 2.370 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.110 5.128 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.970 4.715 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.004 6.100 0.698 1.00 0.00 H new ATOM 1476 N LYS A 105 -3.909 -1.124 4.961 1.00 0.00 N ATOM 1477 CA LYS A 105 -3.974 -2.522 5.373 1.00 0.00 C ATOM 1478 C LYS A 105 -4.984 -3.291 4.528 1.00 0.00 C ATOM 1479 O LYS A 105 -6.181 -3.007 4.563 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.349 -2.622 6.853 1.00 0.00 C ATOM 1481 CG LYS A 105 -3.240 -2.184 7.793 1.00 0.00 C ATOM 1482 CD LYS A 105 -3.745 -2.028 9.217 1.00 0.00 C ATOM 1483 CE LYS A 105 -3.688 -3.345 9.976 1.00 0.00 C ATOM 1484 NZ LYS A 105 -2.290 -3.734 10.308 1.00 0.00 N ATOM 0 H LYS A 105 -4.643 -0.534 5.353 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.990 -2.965 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.232 -2.011 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.621 -3.652 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.433 -2.916 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.822 -1.238 7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.145 -1.281 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.771 -1.659 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.269 -3.260 10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.151 -4.129 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.299 -4.459 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.825 -4.116 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.768 -2.899 10.643 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.494 -4.266 3.770 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.355 -5.079 2.919 1.00 0.00 C ATOM 1500 C ALA A 106 -5.478 -6.499 3.459 1.00 0.00 C ATOM 1501 O ALA A 106 -4.625 -6.963 4.217 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.822 -5.098 1.494 1.00 0.00 C ATOM 0 H ALA A 106 -3.505 -4.512 3.728 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.349 -4.632 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.474 -5.709 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.793 -4.081 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.816 -5.518 1.487 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.544 -7.187 3.065 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.780 -8.555 3.509 1.00 0.00 C ATOM 1510 C LYS A 107 -6.879 -9.504 2.319 1.00 0.00 C ATOM 1511 O LYS A 107 -7.726 -9.330 1.443 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.061 -8.630 4.343 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.422 -10.039 4.780 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.572 -10.038 5.773 1.00 0.00 C ATOM 1515 CE LYS A 107 -9.076 -9.866 7.200 1.00 0.00 C ATOM 1516 NZ LYS A 107 -10.005 -10.479 8.189 1.00 0.00 N ATOM 0 H LYS A 107 -7.259 -6.819 2.438 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.935 -8.860 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.946 -8.003 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.886 -8.216 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.694 -10.633 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.551 -10.515 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.265 -9.233 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.127 -10.973 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.090 -10.320 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.962 -8.804 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.631 -10.340 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.939 -10.029 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.095 -11.497 7.996 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.010 -10.509 2.294 1.00 0.00 N ATOM 1531 CA VAL A 108 -6.001 -11.487 1.213 1.00 0.00 C ATOM 1532 C VAL A 108 -6.863 -12.696 1.559 1.00 0.00 C ATOM 1533 O VAL A 108 -6.841 -13.185 2.689 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.571 -11.962 0.897 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.509 -12.588 -0.488 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.588 -10.807 1.014 1.00 0.00 C ATOM 0 H VAL A 108 -5.302 -10.667 3.011 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.412 -10.991 0.334 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.291 -12.723 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.490 -12.917 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.183 -13.444 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.809 -11.852 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.582 -11.161 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.864 -10.022 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.613 -10.410 2.029 1.00 0.00 H new ATOM 1546 N THR A 109 -7.621 -13.176 0.578 1.00 0.00 N ATOM 1547 CA THR A 109 -8.491 -14.328 0.778 1.00 0.00 C ATOM 1548 C THR A 109 -8.454 -15.261 -0.427 1.00 0.00 C ATOM 1549 O THR A 109 -8.026 -14.872 -1.513 1.00 0.00 O ATOM 1550 CB THR A 109 -9.947 -13.895 1.033 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.391 -13.028 -0.017 1.00 0.00 O ATOM 1552 CG2 THR A 109 -10.074 -13.185 2.372 1.00 0.00 C ATOM 0 H THR A 109 -7.650 -12.784 -0.363 1.00 0.00 H new ATOM 0 HA THR A 109 -8.118 -14.857 1.655 1.00 0.00 H new ATOM 0 HB THR A 109 -10.570 -14.789 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.318 -12.758 0.151 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.111 -12.889 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.763 -13.858 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.439 -12.299 2.376 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.906 -16.495 -0.228 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.916 -17.464 -1.308 1.00 0.00 C ATOM 1562 C GLY A 110 -8.152 -18.727 -0.961 1.00 0.00 C ATOM 1563 O GLY A 110 -7.482 -18.791 0.069 1.00 0.00 O ATOM 0 H GLY A 110 -9.265 -16.841 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.947 -17.722 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.481 -17.014 -2.200 1.00 0.00 H new ATOM 1567 N GLN A 111 -8.255 -19.734 -1.823 1.00 0.00 N ATOM 1568 CA GLN A 111 -7.570 -21.002 -1.600 1.00 0.00 C ATOM 1569 C GLN A 111 -6.078 -20.873 -1.888 1.00 0.00 C ATOM 1570 O GLN A 111 -5.678 -20.515 -2.996 1.00 0.00 O ATOM 1571 CB GLN A 111 -8.178 -22.096 -2.479 1.00 0.00 C ATOM 1572 CG GLN A 111 -7.891 -21.916 -3.961 1.00 0.00 C ATOM 1573 CD GLN A 111 -8.775 -22.781 -4.836 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -9.994 -22.608 -4.871 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -8.165 -23.720 -5.551 1.00 0.00 N ATOM 0 H GLN A 111 -8.805 -19.696 -2.681 1.00 0.00 H new ATOM 0 HA GLN A 111 -7.697 -21.275 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.793 -23.064 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -9.257 -22.115 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.033 -20.869 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.846 -22.157 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.153 -23.829 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.709 -24.332 -6.159 1.00 0.00 H new ATOM 1584 N ARG A 112 -5.259 -21.166 -0.883 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.810 -21.080 -1.028 1.00 0.00 C ATOM 1586 C ARG A 112 -3.361 -21.681 -2.357 1.00 0.00 C ATOM 1587 O ARG A 112 -3.942 -22.655 -2.838 1.00 0.00 O ATOM 1588 CB ARG A 112 -3.117 -21.800 0.130 1.00 0.00 C ATOM 1589 CG ARG A 112 -1.663 -21.396 0.315 1.00 0.00 C ATOM 1590 CD ARG A 112 -1.153 -21.772 1.697 1.00 0.00 C ATOM 1591 NE ARG A 112 0.218 -21.316 1.916 1.00 0.00 N ATOM 1592 CZ ARG A 112 0.978 -21.732 2.923 1.00 0.00 C ATOM 1593 NH1 ARG A 112 0.504 -22.609 3.798 1.00 0.00 N ATOM 1594 NH2 ARG A 112 2.215 -21.272 3.056 1.00 0.00 N ATOM 0 H ARG A 112 -5.574 -21.465 0.040 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.529 -20.027 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.662 -21.596 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.168 -22.876 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.050 -21.881 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.561 -20.321 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.805 -21.338 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.199 -22.854 1.819 1.00 0.00 H new ATOM 0 HE ARG A 112 0.613 -20.642 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.446 -22.966 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.090 -22.927 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.583 -20.598 2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.798 -21.592 3.830 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.325 -21.094 -2.945 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.797 -21.571 -4.219 1.00 0.00 C ATOM 1610 C LEU A 113 -0.559 -22.436 -4.006 1.00 0.00 C ATOM 1611 O LEU A 113 0.510 -21.934 -3.657 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.457 -20.389 -5.128 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.628 -19.492 -5.529 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.138 -18.306 -6.345 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -3.665 -20.286 -6.309 1.00 0.00 C ATOM 0 H LEU A 113 -1.834 -20.287 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.565 -22.179 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.710 -19.774 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.994 -20.776 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.097 -19.113 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.986 -17.679 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.433 -17.723 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.643 -18.665 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.491 -19.632 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.208 -20.695 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.040 -21.101 -5.690 1.00 0.00 H new