USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 979 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 23 THR OG1 : rot 41:sc= 0.38 USER MOD Set 1.2: A 139 MET CE :methyl -151:sc= -0.479 (180deg=-1.03) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0847 USER MOD Single : A 24 CYS SG : rot 180:sc= -2.07 USER MOD Single : A 28 GLN : amide:sc= -3.66 K(o=-3.7,f=-2.2!) USER MOD Single : A 35 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.0071) USER MOD Single : A 40 GLN : amide:sc= -0.0139 K(o=-0.014,f=-5.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= -7.51! C(o=-7.5!,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0534 K(o=-0.053,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.068) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.4) USER MOD Single : A 87 HIS : no HD1:sc= -0.993 K(o=-0.99,f=-2.4!) USER MOD Single : A 93 HIS : no HD1:sc= -9.08! C(o=-9.1!,f=-6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-2.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 65:sc= 0.64 USER MOD Single : A 117 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 126 THR OG1 : rot -150:sc= -0.742 USER MOD Single : A 127 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.73) USER MOD Single : A 131 HIS : no HE2:sc= -0.085 K(o=-0.085,f=-0.94) USER MOD Single : A 132 THR OG1 : rot -24:sc= 0.446 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.749 K(o=-0.75,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 3.309 -19.977 -1.171 1.00 0.00 N ATOM 208 CA PRO A 16 2.896 -18.686 -0.611 1.00 0.00 C ATOM 209 C PRO A 16 3.766 -18.262 0.568 1.00 0.00 C ATOM 210 O PRO A 16 3.877 -17.075 0.873 1.00 0.00 O ATOM 211 CB PRO A 16 1.460 -18.944 -0.151 1.00 0.00 C ATOM 212 CG PRO A 16 1.398 -20.411 0.099 1.00 0.00 C ATOM 213 CD PRO A 16 2.327 -21.040 -0.901 1.00 0.00 C ATOM 0 HA PRO A 16 2.987 -17.878 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.226 -18.379 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.741 -18.642 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.704 -20.647 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.382 -20.785 -0.023 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.803 -21.934 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.799 -21.339 -1.807 1.00 0.00 H new ATOM 221 N ARG A 17 4.379 -19.240 1.227 1.00 0.00 N ATOM 222 CA ARG A 17 5.238 -18.967 2.373 1.00 0.00 C ATOM 223 C ARG A 17 6.041 -17.686 2.159 1.00 0.00 C ATOM 224 O ARG A 17 5.910 -16.727 2.917 1.00 0.00 O ATOM 225 CB ARG A 17 6.186 -20.141 2.618 1.00 0.00 C ATOM 226 CG ARG A 17 5.502 -21.365 3.203 1.00 0.00 C ATOM 227 CD ARG A 17 6.457 -22.183 4.058 1.00 0.00 C ATOM 228 NE ARG A 17 7.367 -22.986 3.245 1.00 0.00 N ATOM 229 CZ ARG A 17 7.003 -24.098 2.614 1.00 0.00 C ATOM 230 NH1 ARG A 17 5.754 -24.534 2.702 1.00 0.00 N ATOM 231 NH2 ARG A 17 7.888 -24.774 1.894 1.00 0.00 N ATOM 0 H ARG A 17 4.297 -20.228 0.987 1.00 0.00 H new ATOM 0 HA ARG A 17 4.602 -18.834 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.661 -20.416 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.979 -19.821 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.649 -21.053 3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.112 -21.986 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.035 -21.515 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.885 -22.837 4.716 1.00 0.00 H new ATOM 0 HE ARG A 17 8.335 -22.676 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.071 -24.016 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.476 -25.387 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.850 -24.441 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.607 -25.627 1.410 1.00 0.00 H new ATOM 245 N GLU A 18 6.870 -17.682 1.119 1.00 0.00 N ATOM 246 CA GLU A 18 7.695 -16.520 0.807 1.00 0.00 C ATOM 247 C GLU A 18 6.938 -15.540 -0.084 1.00 0.00 C ATOM 248 O GLU A 18 6.839 -15.735 -1.295 1.00 0.00 O ATOM 249 CB GLU A 18 8.989 -16.957 0.118 1.00 0.00 C ATOM 250 CG GLU A 18 9.890 -17.809 0.997 1.00 0.00 C ATOM 251 CD GLU A 18 10.712 -16.981 1.965 1.00 0.00 C ATOM 252 OE1 GLU A 18 10.141 -16.493 2.963 1.00 0.00 O ATOM 253 OE2 GLU A 18 11.927 -16.821 1.725 1.00 0.00 O ATOM 0 H GLU A 18 6.988 -18.468 0.480 1.00 0.00 H new ATOM 0 HA GLU A 18 7.941 -16.018 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.739 -17.517 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.538 -16.071 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.280 -18.517 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.559 -18.394 0.366 1.00 0.00 H new ATOM 260 N GLU A 19 6.405 -14.486 0.526 1.00 0.00 N ATOM 261 CA GLU A 19 5.656 -13.476 -0.211 1.00 0.00 C ATOM 262 C GLU A 19 5.989 -12.074 0.292 1.00 0.00 C ATOM 263 O GLU A 19 5.675 -11.721 1.429 1.00 0.00 O ATOM 264 CB GLU A 19 4.152 -13.731 -0.086 1.00 0.00 C ATOM 265 CG GLU A 19 3.626 -14.768 -1.062 1.00 0.00 C ATOM 266 CD GLU A 19 2.122 -14.944 -0.973 1.00 0.00 C ATOM 267 OE1 GLU A 19 1.403 -13.925 -1.008 1.00 0.00 O ATOM 268 OE2 GLU A 19 1.666 -16.102 -0.869 1.00 0.00 O ATOM 0 H GLU A 19 6.478 -14.310 1.528 1.00 0.00 H new ATOM 0 HA GLU A 19 5.943 -13.544 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.931 -14.056 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.619 -12.793 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.894 -14.475 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.112 -15.724 -0.867 1.00 0.00 H new ATOM 275 N SER A 20 6.627 -11.281 -0.561 1.00 0.00 N ATOM 276 CA SER A 20 7.009 -9.920 -0.202 1.00 0.00 C ATOM 277 C SER A 20 6.278 -8.903 -1.074 1.00 0.00 C ATOM 278 O SER A 20 6.100 -9.112 -2.274 1.00 0.00 O ATOM 279 CB SER A 20 8.521 -9.737 -0.343 1.00 0.00 C ATOM 280 OG SER A 20 9.224 -10.749 0.357 1.00 0.00 O ATOM 0 H SER A 20 6.891 -11.557 -1.507 1.00 0.00 H new ATOM 0 HA SER A 20 6.726 -9.752 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.797 -9.761 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.809 -8.758 0.040 1.00 0.00 H new ATOM 0 HG SER A 20 10.188 -10.611 0.250 1.00 0.00 H new ATOM 286 N SER A 21 5.858 -7.802 -0.462 1.00 0.00 N ATOM 287 CA SER A 21 5.144 -6.753 -1.180 1.00 0.00 C ATOM 288 C SER A 21 5.402 -5.388 -0.549 1.00 0.00 C ATOM 289 O SER A 21 5.620 -5.282 0.658 1.00 0.00 O ATOM 290 CB SER A 21 3.642 -7.045 -1.193 1.00 0.00 C ATOM 291 OG SER A 21 3.382 -8.364 -1.641 1.00 0.00 O ATOM 0 H SER A 21 6.000 -7.612 0.530 1.00 0.00 H new ATOM 0 HA SER A 21 5.513 -6.735 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.234 -6.911 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.135 -6.331 -1.842 1.00 0.00 H new ATOM 0 HG SER A 21 2.415 -8.526 -1.639 1.00 0.00 H new ATOM 297 N ALA A 22 5.376 -4.347 -1.374 1.00 0.00 N ATOM 298 CA ALA A 22 5.605 -2.989 -0.897 1.00 0.00 C ATOM 299 C ALA A 22 4.363 -2.124 -1.085 1.00 0.00 C ATOM 300 O ALA A 22 3.951 -1.847 -2.213 1.00 0.00 O ATOM 301 CB ALA A 22 6.794 -2.370 -1.617 1.00 0.00 C ATOM 0 H ALA A 22 5.199 -4.418 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 22 5.824 -3.038 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.953 -1.356 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.685 -2.968 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.596 -2.342 -2.689 1.00 0.00 H new ATOM 307 N THR A 23 3.770 -1.699 0.026 1.00 0.00 N ATOM 308 CA THR A 23 2.573 -0.867 -0.016 1.00 0.00 C ATOM 309 C THR A 23 2.883 0.563 0.410 1.00 0.00 C ATOM 310 O THR A 23 3.759 0.797 1.244 1.00 0.00 O ATOM 311 CB THR A 23 1.464 -1.432 0.891 1.00 0.00 C ATOM 312 OG1 THR A 23 0.277 -0.641 0.764 1.00 0.00 O ATOM 313 CG2 THR A 23 1.912 -1.453 2.345 1.00 0.00 C ATOM 0 H THR A 23 4.099 -1.917 0.967 1.00 0.00 H new ATOM 0 HA THR A 23 2.223 -0.868 -1.048 1.00 0.00 H new ATOM 0 HB THR A 23 1.254 -2.455 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.139 -0.406 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.112 -1.856 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.799 -2.079 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.147 -0.439 2.668 1.00 0.00 H new ATOM 321 N CYS A 24 2.161 1.517 -0.167 1.00 0.00 N ATOM 322 CA CYS A 24 2.359 2.926 0.153 1.00 0.00 C ATOM 323 C CYS A 24 1.033 3.597 0.493 1.00 0.00 C ATOM 324 O CYS A 24 -0.035 3.117 0.112 1.00 0.00 O ATOM 325 CB CYS A 24 3.025 3.648 -1.020 1.00 0.00 C ATOM 326 SG CYS A 24 3.375 5.394 -0.708 1.00 0.00 S ATOM 0 H CYS A 24 1.433 1.340 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 24 3.010 2.988 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.958 3.139 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.380 3.568 -1.895 1.00 0.00 H new ATOM 0 HG CYS A 24 3.939 5.917 -1.756 1.00 0.00 H new ATOM 332 N VAL A 25 1.108 4.712 1.215 1.00 0.00 N ATOM 333 CA VAL A 25 -0.086 5.451 1.608 1.00 0.00 C ATOM 334 C VAL A 25 -0.156 6.799 0.899 1.00 0.00 C ATOM 335 O VAL A 25 0.754 7.620 1.013 1.00 0.00 O ATOM 336 CB VAL A 25 -0.129 5.679 3.130 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.318 6.550 3.506 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.177 4.349 3.867 1.00 0.00 C ATOM 0 H VAL A 25 1.984 5.123 1.539 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.944 4.846 1.315 1.00 0.00 H new ATOM 0 HB VAL A 25 0.781 6.200 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.332 6.700 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.234 7.515 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.241 6.060 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.207 4.529 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.068 3.798 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.710 3.765 3.622 1.00 0.00 H new ATOM 348 N LEU A 26 -1.244 7.020 0.168 1.00 0.00 N ATOM 349 CA LEU A 26 -1.434 8.271 -0.558 1.00 0.00 C ATOM 350 C LEU A 26 -2.436 9.171 0.158 1.00 0.00 C ATOM 351 O LEU A 26 -3.590 8.793 0.360 1.00 0.00 O ATOM 352 CB LEU A 26 -1.914 7.987 -1.983 1.00 0.00 C ATOM 353 CG LEU A 26 -2.385 9.200 -2.787 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.266 10.222 -2.915 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.877 8.771 -4.161 1.00 0.00 C ATOM 0 H LEU A 26 -2.006 6.350 0.063 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.475 8.788 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.102 7.507 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.733 7.269 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.215 9.665 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.619 11.078 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.960 10.553 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.416 9.769 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.208 9.647 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.067 8.282 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.709 8.076 -4.049 1.00 0.00 H new ATOM 367 N GLU A 27 -1.987 10.363 0.537 1.00 0.00 N ATOM 368 CA GLU A 27 -2.845 11.316 1.231 1.00 0.00 C ATOM 369 C GLU A 27 -2.929 12.632 0.462 1.00 0.00 C ATOM 370 O GLU A 27 -1.958 13.060 -0.161 1.00 0.00 O ATOM 371 CB GLU A 27 -2.323 11.572 2.646 1.00 0.00 C ATOM 372 CG GLU A 27 -3.038 12.705 3.362 1.00 0.00 C ATOM 373 CD GLU A 27 -2.246 13.242 4.540 1.00 0.00 C ATOM 374 OE1 GLU A 27 -2.035 12.482 5.508 1.00 0.00 O ATOM 375 OE2 GLU A 27 -1.838 14.421 4.492 1.00 0.00 O ATOM 0 H GLU A 27 -1.035 10.692 0.375 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.845 10.886 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.427 10.660 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.258 11.800 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.227 13.514 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.009 12.354 3.711 1.00 0.00 H new ATOM 382 N GLN A 28 -4.096 13.266 0.511 1.00 0.00 N ATOM 383 CA GLN A 28 -4.307 14.532 -0.182 1.00 0.00 C ATOM 384 C GLN A 28 -5.122 15.493 0.676 1.00 0.00 C ATOM 385 O GLN A 28 -5.909 15.086 1.532 1.00 0.00 O ATOM 386 CB GLN A 28 -5.015 14.295 -1.517 1.00 0.00 C ATOM 387 CG GLN A 28 -6.531 14.331 -1.415 1.00 0.00 C ATOM 388 CD GLN A 28 -7.212 14.113 -2.753 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.079 13.249 -2.888 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.820 14.896 -3.752 1.00 0.00 N ATOM 0 H GLN A 28 -4.909 12.924 1.023 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.332 14.981 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.689 15.051 -2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.709 13.328 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.862 13.565 -0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.841 15.293 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.098 15.599 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.241 14.794 -4.675 1.00 0.00 H new ATOM 399 N PRO A 29 -4.932 16.801 0.445 1.00 0.00 N ATOM 400 CA PRO A 29 -5.641 17.847 1.187 1.00 0.00 C ATOM 401 C PRO A 29 -7.125 17.901 0.839 1.00 0.00 C ATOM 402 O PRO A 29 -7.497 17.897 -0.334 1.00 0.00 O ATOM 403 CB PRO A 29 -4.940 19.133 0.744 1.00 0.00 C ATOM 404 CG PRO A 29 -4.379 18.815 -0.599 1.00 0.00 C ATOM 405 CD PRO A 29 -4.011 17.358 -0.559 1.00 0.00 C ATOM 0 HA PRO A 29 -5.608 17.677 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.639 19.968 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.154 19.417 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.110 19.012 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.507 19.432 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.142 16.884 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.969 17.214 -0.272 1.00 0.00 H new ATOM 413 N GLY A 30 -7.967 17.952 1.866 1.00 0.00 N ATOM 414 CA GLY A 30 -9.402 18.006 1.646 1.00 0.00 C ATOM 415 C GLY A 30 -10.052 19.180 2.351 1.00 0.00 C ATOM 416 O GLY A 30 -9.492 19.730 3.300 1.00 0.00 O ATOM 0 H GLY A 30 -7.683 17.957 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.600 18.073 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.856 17.079 1.997 1.00 0.00 H new ATOM 420 N ALA A 31 -11.236 19.565 1.887 1.00 0.00 N ATOM 421 CA ALA A 31 -11.963 20.681 2.481 1.00 0.00 C ATOM 422 C ALA A 31 -12.052 20.534 3.996 1.00 0.00 C ATOM 423 O ALA A 31 -12.123 21.525 4.723 1.00 0.00 O ATOM 424 CB ALA A 31 -13.355 20.785 1.875 1.00 0.00 C ATOM 0 H ALA A 31 -11.712 19.121 1.102 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.415 21.598 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.887 21.622 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.273 20.945 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.904 19.862 2.063 1.00 0.00 H new ATOM 430 N LEU A 32 -12.050 19.291 4.466 1.00 0.00 N ATOM 431 CA LEU A 32 -12.131 19.015 5.896 1.00 0.00 C ATOM 432 C LEU A 32 -10.742 18.980 6.524 1.00 0.00 C ATOM 433 O LEU A 32 -10.563 19.353 7.683 1.00 0.00 O ATOM 434 CB LEU A 32 -12.847 17.685 6.138 1.00 0.00 C ATOM 435 CG LEU A 32 -12.892 16.721 4.952 1.00 0.00 C ATOM 436 CD1 LEU A 32 -13.297 15.329 5.410 1.00 0.00 C ATOM 437 CD2 LEU A 32 -13.850 17.233 3.886 1.00 0.00 C ATOM 0 H LEU A 32 -11.993 18.459 3.878 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.700 19.818 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.360 17.180 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.871 17.897 6.447 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.894 16.662 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.324 14.657 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.574 14.960 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.285 15.370 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.870 16.535 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.851 17.322 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.516 18.210 3.536 1.00 0.00 H new ATOM 449 N GLY A 33 -9.760 18.528 5.750 1.00 0.00 N ATOM 450 CA GLY A 33 -8.397 18.454 6.247 1.00 0.00 C ATOM 451 C GLY A 33 -7.500 17.620 5.355 1.00 0.00 C ATOM 452 O GLY A 33 -6.570 18.138 4.739 1.00 0.00 O ATOM 0 H GLY A 33 -9.883 18.212 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.988 19.461 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.402 18.030 7.251 1.00 0.00 H new ATOM 456 N ALA A 34 -7.778 16.321 5.287 1.00 0.00 N ATOM 457 CA ALA A 34 -6.989 15.413 4.464 1.00 0.00 C ATOM 458 C ALA A 34 -7.727 14.099 4.234 1.00 0.00 C ATOM 459 O ALA A 34 -8.586 13.713 5.026 1.00 0.00 O ATOM 460 CB ALA A 34 -5.636 15.156 5.111 1.00 0.00 C ATOM 0 H ALA A 34 -8.544 15.875 5.792 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.831 15.885 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.057 14.476 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.098 16.098 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.782 14.709 6.094 1.00 0.00 H new ATOM 466 N GLN A 35 -7.385 13.416 3.146 1.00 0.00 N ATOM 467 CA GLN A 35 -8.018 12.146 2.812 1.00 0.00 C ATOM 468 C GLN A 35 -7.027 11.208 2.130 1.00 0.00 C ATOM 469 O GLN A 35 -6.178 11.645 1.353 1.00 0.00 O ATOM 470 CB GLN A 35 -9.226 12.377 1.904 1.00 0.00 C ATOM 471 CG GLN A 35 -10.528 12.579 2.663 1.00 0.00 C ATOM 472 CD GLN A 35 -11.502 13.475 1.925 1.00 0.00 C ATOM 473 OE1 GLN A 35 -12.617 13.065 1.601 1.00 0.00 O ATOM 474 NE2 GLN A 35 -11.085 14.707 1.655 1.00 0.00 N ATOM 0 H GLN A 35 -6.674 13.721 2.482 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.353 11.681 3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.039 13.251 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.334 11.524 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.995 11.610 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.311 13.012 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.153 15.004 1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.697 15.356 1.160 1.00 0.00 H new ATOM 483 N ILE A 36 -7.141 9.918 2.427 1.00 0.00 N ATOM 484 CA ILE A 36 -6.257 8.918 1.842 1.00 0.00 C ATOM 485 C ILE A 36 -6.980 8.096 0.781 1.00 0.00 C ATOM 486 O ILE A 36 -8.193 8.220 0.605 1.00 0.00 O ATOM 487 CB ILE A 36 -5.692 7.968 2.915 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.754 7.677 3.978 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.448 8.568 3.552 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.323 6.641 4.994 1.00 0.00 C ATOM 0 H ILE A 36 -7.837 9.541 3.070 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.433 9.460 1.378 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.414 7.028 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.000 8.603 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.665 7.335 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.061 7.885 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.689 8.730 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.701 9.520 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.124 6.485 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.104 5.702 4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.430 6.989 5.512 1.00 0.00 H new ATOM 502 N LEU A 37 -6.230 7.255 0.079 1.00 0.00 N ATOM 503 CA LEU A 37 -6.801 6.409 -0.964 1.00 0.00 C ATOM 504 C LEU A 37 -6.900 4.960 -0.496 1.00 0.00 C ATOM 505 O LEU A 37 -6.005 4.453 0.182 1.00 0.00 O ATOM 506 CB LEU A 37 -5.952 6.490 -2.234 1.00 0.00 C ATOM 507 CG LEU A 37 -6.299 5.490 -3.339 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.560 5.922 -4.072 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.138 5.345 -4.310 1.00 0.00 C ATOM 0 H LEU A 37 -5.225 7.140 0.212 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.806 6.770 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.040 7.497 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.907 6.348 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.485 4.519 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.792 5.199 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.391 5.974 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.403 6.903 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.402 4.630 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.920 6.312 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.258 4.989 -3.774 1.00 0.00 H new ATOM 521 N LEU A 38 -7.991 4.299 -0.866 1.00 0.00 N ATOM 522 CA LEU A 38 -8.207 2.906 -0.486 1.00 0.00 C ATOM 523 C LEU A 38 -8.791 2.110 -1.649 1.00 0.00 C ATOM 524 O LEU A 38 -9.859 2.438 -2.166 1.00 0.00 O ATOM 525 CB LEU A 38 -9.141 2.825 0.722 1.00 0.00 C ATOM 526 CG LEU A 38 -8.923 1.638 1.661 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.500 1.637 2.199 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.928 1.668 2.802 1.00 0.00 C ATOM 0 H LEU A 38 -8.740 4.704 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.242 2.473 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.036 3.743 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.169 2.792 0.360 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.075 0.719 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.364 0.785 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.797 1.565 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.318 2.560 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.757 0.816 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.809 2.592 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.939 1.618 2.398 1.00 0.00 H new ATOM 540 N VAL A 39 -8.084 1.059 -2.053 1.00 0.00 N ATOM 541 CA VAL A 39 -8.534 0.213 -3.152 1.00 0.00 C ATOM 542 C VAL A 39 -8.892 -1.185 -2.659 1.00 0.00 C ATOM 543 O VAL A 39 -8.114 -1.820 -1.949 1.00 0.00 O ATOM 544 CB VAL A 39 -7.459 0.099 -4.249 1.00 0.00 C ATOM 545 CG1 VAL A 39 -7.075 1.476 -4.766 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.238 -0.642 -3.723 1.00 0.00 C ATOM 0 H VAL A 39 -7.198 0.773 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.422 0.685 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.872 -0.472 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.314 1.375 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.955 1.966 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.680 2.076 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.488 -0.714 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.821 -0.100 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.529 -1.644 -3.407 1.00 0.00 H new ATOM 556 N GLN A 40 -10.074 -1.657 -3.042 1.00 0.00 N ATOM 557 CA GLN A 40 -10.534 -2.980 -2.637 1.00 0.00 C ATOM 558 C GLN A 40 -10.450 -3.963 -3.799 1.00 0.00 C ATOM 559 O GLN A 40 -10.720 -3.609 -4.946 1.00 0.00 O ATOM 560 CB GLN A 40 -11.972 -2.906 -2.119 1.00 0.00 C ATOM 561 CG GLN A 40 -12.696 -4.243 -2.140 1.00 0.00 C ATOM 562 CD GLN A 40 -13.995 -4.215 -1.361 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.017 -4.472 -0.157 1.00 0.00 O ATOM 564 NE2 GLN A 40 -15.089 -3.903 -2.046 1.00 0.00 N ATOM 0 H GLN A 40 -10.730 -1.144 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.885 -3.335 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.962 -2.523 -1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.530 -2.190 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.902 -4.524 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.044 -5.011 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.025 -3.697 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.993 -3.869 -1.575 1.00 0.00 H new ATOM 573 N ARG A 41 -10.072 -5.201 -3.494 1.00 0.00 N ATOM 574 CA ARG A 41 -9.950 -6.236 -4.512 1.00 0.00 C ATOM 575 C ARG A 41 -11.313 -6.842 -4.837 1.00 0.00 C ATOM 576 O ARG A 41 -12.134 -7.095 -3.955 1.00 0.00 O ATOM 577 CB ARG A 41 -8.991 -7.332 -4.044 1.00 0.00 C ATOM 578 CG ARG A 41 -7.535 -7.048 -4.374 1.00 0.00 C ATOM 579 CD ARG A 41 -6.605 -8.035 -3.686 1.00 0.00 C ATOM 580 NE ARG A 41 -6.395 -7.702 -2.279 1.00 0.00 N ATOM 581 CZ ARG A 41 -5.838 -8.529 -1.403 1.00 0.00 C ATOM 582 NH1 ARG A 41 -5.437 -9.733 -1.785 1.00 0.00 N ATOM 583 NH2 ARG A 41 -5.681 -8.152 -0.140 1.00 0.00 N ATOM 0 H ARG A 41 -9.845 -5.511 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.551 -5.776 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.093 -7.456 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.281 -8.277 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.389 -7.100 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.282 -6.033 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.022 -9.039 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.645 -8.048 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.693 -6.783 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.556 -10.026 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.009 -10.366 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.989 -7.226 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.253 -8.788 0.533 1.00 0.00 H new ATOM 698 N LEU A 50 -12.095 -6.837 0.310 1.00 0.00 N ATOM 699 CA LEU A 50 -11.819 -5.923 1.413 1.00 0.00 C ATOM 700 C LEU A 50 -11.112 -4.666 0.915 1.00 0.00 C ATOM 701 O LEU A 50 -10.473 -4.677 -0.137 1.00 0.00 O ATOM 702 CB LEU A 50 -10.963 -6.617 2.474 1.00 0.00 C ATOM 703 CG LEU A 50 -11.725 -7.360 3.572 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.870 -6.507 4.097 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.246 -8.691 3.051 1.00 0.00 C ATOM 0 HA LEU A 50 -12.771 -5.630 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.304 -7.326 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.326 -5.868 2.945 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.038 -7.558 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.401 -7.052 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.473 -5.579 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.557 -6.279 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.786 -9.207 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.918 -8.515 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.408 -9.306 2.723 1.00 0.00 H new ATOM 717 N TRP A 51 -11.231 -3.586 1.679 1.00 0.00 N ATOM 718 CA TRP A 51 -10.602 -2.321 1.316 1.00 0.00 C ATOM 719 C TRP A 51 -9.226 -2.193 1.961 1.00 0.00 C ATOM 720 O TRP A 51 -9.084 -2.346 3.174 1.00 0.00 O ATOM 721 CB TRP A 51 -11.487 -1.147 1.739 1.00 0.00 C ATOM 722 CG TRP A 51 -12.807 -1.114 1.028 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.968 -1.712 1.428 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.100 -0.449 -0.206 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.965 -1.460 0.515 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.458 -0.686 -0.495 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.347 0.325 -1.093 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.076 -0.176 -1.634 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -12.961 0.830 -2.223 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.315 0.578 -2.485 1.00 0.00 C ATOM 0 H TRP A 51 -11.757 -3.561 2.553 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.479 -2.303 0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.662 -1.201 2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.956 -0.214 1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.086 -2.297 2.328 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.926 -1.795 0.579 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.304 0.525 -0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.119 -0.369 -1.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.388 1.429 -2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.766 0.987 -3.377 1.00 0.00 H new ATOM 741 N GLU A 52 -8.217 -1.912 1.142 1.00 0.00 N ATOM 742 CA GLU A 52 -6.852 -1.764 1.635 1.00 0.00 C ATOM 743 C GLU A 52 -6.034 -0.870 0.708 1.00 0.00 C ATOM 744 O GLU A 52 -6.412 -0.635 -0.440 1.00 0.00 O ATOM 745 CB GLU A 52 -6.183 -3.134 1.764 1.00 0.00 C ATOM 746 CG GLU A 52 -6.230 -3.957 0.488 1.00 0.00 C ATOM 747 CD GLU A 52 -7.565 -4.650 0.290 1.00 0.00 C ATOM 748 OE1 GLU A 52 -8.016 -5.345 1.223 1.00 0.00 O ATOM 749 OE2 GLU A 52 -8.158 -4.496 -0.798 1.00 0.00 O ATOM 0 H GLU A 52 -8.319 -1.782 0.135 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.895 -1.295 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.143 -2.995 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.669 -3.692 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.031 -3.309 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.437 -4.704 0.513 1.00 0.00 H new ATOM 756 N PHE A 53 -4.910 -0.374 1.217 1.00 0.00 N ATOM 757 CA PHE A 53 -4.038 0.496 0.436 1.00 0.00 C ATOM 758 C PHE A 53 -3.392 -0.272 -0.714 1.00 0.00 C ATOM 759 O PHE A 53 -3.123 -1.470 -0.622 1.00 0.00 O ATOM 760 CB PHE A 53 -2.954 1.101 1.331 1.00 0.00 C ATOM 761 CG PHE A 53 -3.485 1.657 2.621 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.424 2.675 2.619 1.00 0.00 C ATOM 763 CD2 PHE A 53 -3.043 1.162 3.837 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.914 3.188 3.806 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.529 1.670 5.027 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.465 2.686 5.011 1.00 0.00 C ATOM 0 H PHE A 53 -4.582 -0.559 2.165 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.646 1.298 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.209 0.337 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.444 1.895 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.778 3.073 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.310 0.369 3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.647 3.981 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.178 1.273 5.968 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.845 3.087 5.939 1.00 0.00 H new ATOM 776 N PRO A 54 -3.138 0.434 -1.827 1.00 0.00 N ATOM 777 CA PRO A 54 -2.523 -0.159 -3.017 1.00 0.00 C ATOM 778 C PRO A 54 -1.058 -0.520 -2.793 1.00 0.00 C ATOM 779 O PRO A 54 -0.334 0.191 -2.096 1.00 0.00 O ATOM 780 CB PRO A 54 -2.647 0.945 -4.069 1.00 0.00 C ATOM 781 CG PRO A 54 -2.717 2.210 -3.284 1.00 0.00 C ATOM 782 CD PRO A 54 -3.433 1.865 -2.007 1.00 0.00 C ATOM 0 HA PRO A 54 -3.006 -1.094 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.792 0.945 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.538 0.810 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.719 2.598 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.253 2.983 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.069 2.459 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.505 2.048 -2.085 1.00 0.00 H new ATOM 790 N SER A 55 -0.628 -1.627 -3.389 1.00 0.00 N ATOM 791 CA SER A 55 0.751 -2.083 -3.252 1.00 0.00 C ATOM 792 C SER A 55 1.226 -2.768 -4.530 1.00 0.00 C ATOM 793 O SER A 55 0.427 -3.092 -5.409 1.00 0.00 O ATOM 794 CB SER A 55 0.877 -3.044 -2.068 1.00 0.00 C ATOM 795 OG SER A 55 0.301 -4.303 -2.369 1.00 0.00 O ATOM 0 H SER A 55 -1.214 -2.225 -3.971 1.00 0.00 H new ATOM 0 HA SER A 55 1.380 -1.211 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.928 -3.174 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.386 -2.616 -1.194 1.00 0.00 H new ATOM 0 HG SER A 55 0.396 -4.899 -1.597 1.00 0.00 H new ATOM 801 N VAL A 56 2.534 -2.986 -4.626 1.00 0.00 N ATOM 802 CA VAL A 56 3.117 -3.634 -5.795 1.00 0.00 C ATOM 803 C VAL A 56 4.038 -4.778 -5.387 1.00 0.00 C ATOM 804 O VAL A 56 4.360 -4.943 -4.209 1.00 0.00 O ATOM 805 CB VAL A 56 3.912 -2.632 -6.653 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.078 -1.392 -6.937 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.217 -2.261 -5.966 1.00 0.00 C ATOM 0 H VAL A 56 3.210 -2.723 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 56 2.289 -4.030 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 56 4.151 -3.105 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.656 -0.696 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.173 -1.677 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.806 -0.913 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.766 -1.552 -6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.003 -1.807 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.819 -3.158 -5.820 1.00 0.00 H new ATOM 817 N THR A 57 4.460 -5.570 -6.368 1.00 0.00 N ATOM 818 CA THR A 57 5.342 -6.701 -6.111 1.00 0.00 C ATOM 819 C THR A 57 6.649 -6.244 -5.474 1.00 0.00 C ATOM 820 O THR A 57 7.108 -5.126 -5.708 1.00 0.00 O ATOM 821 CB THR A 57 5.659 -7.472 -7.407 1.00 0.00 C ATOM 822 OG1 THR A 57 6.637 -8.485 -7.148 1.00 0.00 O ATOM 823 CG2 THR A 57 6.170 -6.530 -8.486 1.00 0.00 C ATOM 0 H THR A 57 4.205 -5.449 -7.348 1.00 0.00 H new ATOM 0 HA THR A 57 4.816 -7.362 -5.422 1.00 0.00 H new ATOM 0 HB THR A 57 4.739 -7.938 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.831 -8.971 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.387 -7.097 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.411 -5.778 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.079 -6.038 -8.139 1.00 0.00 H new ATOM 831 N TRP A 58 7.246 -7.116 -4.668 1.00 0.00 N ATOM 832 CA TRP A 58 8.502 -6.801 -3.997 1.00 0.00 C ATOM 833 C TRP A 58 9.614 -6.554 -5.011 1.00 0.00 C ATOM 834 O TRP A 58 9.567 -7.061 -6.131 1.00 0.00 O ATOM 835 CB TRP A 58 8.898 -7.938 -3.054 1.00 0.00 C ATOM 836 CG TRP A 58 10.170 -7.673 -2.307 1.00 0.00 C ATOM 837 CD1 TRP A 58 10.323 -6.881 -1.204 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.467 -8.199 -2.609 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.639 -6.884 -0.804 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.360 -7.685 -1.648 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.960 -9.056 -3.597 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.715 -8.000 -1.649 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.307 -9.367 -3.596 1.00 0.00 C ATOM 844 CH2 TRP A 58 14.171 -8.841 -2.627 1.00 0.00 C ATOM 0 H TRP A 58 6.880 -8.046 -4.464 1.00 0.00 H new ATOM 0 HA TRP A 58 8.357 -5.890 -3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 58 8.093 -8.104 -2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 58 9.008 -8.857 -3.630 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.528 -6.334 -0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.017 -6.372 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.301 -9.468 -4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.384 -7.595 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.700 -10.027 -4.355 1.00 0.00 H new ATOM 0 HH2 TRP A 58 15.218 -9.105 -2.652 1.00 0.00 H new ATOM 855 N GLU A 59 10.612 -5.775 -4.610 1.00 0.00 N ATOM 856 CA GLU A 59 11.736 -5.461 -5.485 1.00 0.00 C ATOM 857 C GLU A 59 13.053 -5.507 -4.717 1.00 0.00 C ATOM 858 O GLU A 59 13.186 -4.950 -3.627 1.00 0.00 O ATOM 859 CB GLU A 59 11.549 -4.081 -6.117 1.00 0.00 C ATOM 860 CG GLU A 59 10.412 -4.020 -7.123 1.00 0.00 C ATOM 861 CD GLU A 59 10.757 -4.697 -8.434 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.222 -5.856 -8.401 1.00 0.00 O ATOM 863 OE2 GLU A 59 10.560 -4.068 -9.496 1.00 0.00 O ATOM 0 H GLU A 59 10.666 -5.349 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 59 11.770 -6.212 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.364 -3.352 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.476 -3.789 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.528 -4.493 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.155 -2.978 -7.313 1.00 0.00 H new ATOM 870 N PRO A 60 14.053 -6.189 -5.298 1.00 0.00 N ATOM 871 CA PRO A 60 15.378 -6.324 -4.686 1.00 0.00 C ATOM 872 C PRO A 60 16.150 -5.009 -4.676 1.00 0.00 C ATOM 873 O PRO A 60 16.970 -4.766 -3.791 1.00 0.00 O ATOM 874 CB PRO A 60 16.079 -7.348 -5.582 1.00 0.00 C ATOM 875 CG PRO A 60 15.396 -7.227 -6.901 1.00 0.00 C ATOM 876 CD PRO A 60 13.966 -6.877 -6.596 1.00 0.00 C ATOM 0 HA PRO A 60 15.315 -6.624 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.145 -7.136 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.986 -8.356 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.864 -6.457 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.459 -8.161 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.537 -6.233 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.338 -7.766 -6.538 1.00 0.00 H new ATOM 884 N SER A 61 15.880 -4.162 -5.665 1.00 0.00 N ATOM 885 CA SER A 61 16.552 -2.872 -5.771 1.00 0.00 C ATOM 886 C SER A 61 15.737 -1.778 -5.088 1.00 0.00 C ATOM 887 O SER A 61 14.544 -1.623 -5.348 1.00 0.00 O ATOM 888 CB SER A 61 16.780 -2.512 -7.240 1.00 0.00 C ATOM 889 OG SER A 61 17.921 -1.686 -7.391 1.00 0.00 O ATOM 0 H SER A 61 15.201 -4.346 -6.404 1.00 0.00 H new ATOM 0 HA SER A 61 17.517 -2.949 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.906 -3.423 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.902 -2.000 -7.633 1.00 0.00 H new ATOM 0 HG SER A 61 18.046 -1.471 -8.339 1.00 0.00 H new ATOM 895 N GLU A 62 16.391 -1.021 -4.213 1.00 0.00 N ATOM 896 CA GLU A 62 15.728 0.058 -3.490 1.00 0.00 C ATOM 897 C GLU A 62 14.953 0.958 -4.449 1.00 0.00 C ATOM 898 O GLU A 62 13.869 1.442 -4.121 1.00 0.00 O ATOM 899 CB GLU A 62 16.753 0.887 -2.714 1.00 0.00 C ATOM 900 CG GLU A 62 17.652 1.732 -3.601 1.00 0.00 C ATOM 901 CD GLU A 62 18.604 2.603 -2.806 1.00 0.00 C ATOM 902 OE1 GLU A 62 18.974 2.205 -1.681 1.00 0.00 O ATOM 903 OE2 GLU A 62 18.981 3.683 -3.307 1.00 0.00 O ATOM 0 H GLU A 62 17.379 -1.135 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 62 15.025 -0.388 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.227 1.540 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.372 0.217 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.226 1.078 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.035 2.364 -4.240 1.00 0.00 H new ATOM 910 N GLN A 63 15.515 1.175 -5.634 1.00 0.00 N ATOM 911 CA GLN A 63 14.877 2.016 -6.639 1.00 0.00 C ATOM 912 C GLN A 63 13.675 1.310 -7.257 1.00 0.00 C ATOM 913 O GLN A 63 12.531 1.721 -7.061 1.00 0.00 O ATOM 914 CB GLN A 63 15.880 2.392 -7.732 1.00 0.00 C ATOM 915 CG GLN A 63 15.532 3.680 -8.460 1.00 0.00 C ATOM 916 CD GLN A 63 15.677 4.906 -7.581 1.00 0.00 C ATOM 917 OE1 GLN A 63 16.457 4.911 -6.628 1.00 0.00 O ATOM 918 NE2 GLN A 63 14.925 5.954 -7.897 1.00 0.00 N ATOM 0 H GLN A 63 16.411 0.780 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 63 14.528 2.924 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.870 2.492 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.937 1.579 -8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.177 3.785 -9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.507 3.620 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.292 5.905 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.980 6.807 -7.341 1.00 0.00 H new ATOM 927 N LEU A 64 13.941 0.244 -8.006 1.00 0.00 N ATOM 928 CA LEU A 64 12.881 -0.520 -8.653 1.00 0.00 C ATOM 929 C LEU A 64 11.625 -0.549 -7.789 1.00 0.00 C ATOM 930 O LEU A 64 10.513 -0.388 -8.290 1.00 0.00 O ATOM 931 CB LEU A 64 13.354 -1.948 -8.934 1.00 0.00 C ATOM 932 CG LEU A 64 14.118 -2.157 -10.241 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.266 -1.166 -10.354 1.00 0.00 C ATOM 934 CD2 LEU A 64 14.633 -3.586 -10.336 1.00 0.00 C ATOM 0 H LEU A 64 14.882 -0.110 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 64 12.639 -0.031 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.991 -2.267 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.483 -2.604 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 64 13.433 -1.983 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.798 -1.331 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.873 -0.150 -10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.951 -1.306 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.174 -3.716 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.302 -3.788 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.792 -4.279 -10.304 1.00 0.00 H new ATOM 946 N GLN A 65 11.811 -0.754 -6.489 1.00 0.00 N ATOM 947 CA GLN A 65 10.692 -0.802 -5.556 1.00 0.00 C ATOM 948 C GLN A 65 9.863 0.476 -5.632 1.00 0.00 C ATOM 949 O GLN A 65 8.664 0.434 -5.906 1.00 0.00 O ATOM 950 CB GLN A 65 11.200 -1.010 -4.128 1.00 0.00 C ATOM 951 CG GLN A 65 10.221 -1.757 -3.236 1.00 0.00 C ATOM 952 CD GLN A 65 8.776 -1.430 -3.554 1.00 0.00 C ATOM 953 OE1 GLN A 65 8.196 -0.505 -2.983 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.184 -2.188 -4.468 1.00 0.00 N ATOM 0 H GLN A 65 12.726 -0.889 -6.058 1.00 0.00 H new ATOM 0 HA GLN A 65 10.056 -1.642 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.140 -1.561 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.416 -0.039 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.380 -2.830 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.424 -1.511 -2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.701 -2.944 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.211 -2.015 -4.722 1.00 0.00 H new ATOM 963 N ARG A 66 10.511 1.611 -5.389 1.00 0.00 N ATOM 964 CA ARG A 66 9.834 2.901 -5.430 1.00 0.00 C ATOM 965 C ARG A 66 9.288 3.185 -6.827 1.00 0.00 C ATOM 966 O ARG A 66 8.204 3.749 -6.979 1.00 0.00 O ATOM 967 CB ARG A 66 10.791 4.017 -5.007 1.00 0.00 C ATOM 968 CG ARG A 66 11.291 3.883 -3.579 1.00 0.00 C ATOM 969 CD ARG A 66 12.555 4.696 -3.352 1.00 0.00 C ATOM 970 NE ARG A 66 12.273 6.122 -3.216 1.00 0.00 N ATOM 971 CZ ARG A 66 13.197 7.031 -2.927 1.00 0.00 C ATOM 972 NH1 ARG A 66 14.458 6.663 -2.745 1.00 0.00 N ATOM 973 NH2 ARG A 66 12.861 8.309 -2.819 1.00 0.00 N ATOM 0 H ARG A 66 11.504 1.663 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 66 8.997 2.866 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.646 4.026 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.287 4.977 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.515 4.214 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.488 2.834 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.059 4.339 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.240 4.540 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 66 11.312 6.438 -3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.719 5.680 -2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.166 7.362 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.892 8.595 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.572 9.006 -2.597 1.00 0.00 H new ATOM 987 N LYS A 67 10.047 2.791 -7.844 1.00 0.00 N ATOM 988 CA LYS A 67 9.641 3.003 -9.228 1.00 0.00 C ATOM 989 C LYS A 67 8.292 2.345 -9.506 1.00 0.00 C ATOM 990 O LYS A 67 7.334 3.014 -9.891 1.00 0.00 O ATOM 991 CB LYS A 67 10.699 2.444 -10.182 1.00 0.00 C ATOM 992 CG LYS A 67 11.863 3.389 -10.421 1.00 0.00 C ATOM 993 CD LYS A 67 12.953 2.733 -11.253 1.00 0.00 C ATOM 994 CE LYS A 67 12.677 2.874 -12.742 1.00 0.00 C ATOM 995 NZ LYS A 67 13.255 4.128 -13.297 1.00 0.00 N ATOM 0 H LYS A 67 10.947 2.323 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 67 9.543 4.076 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.080 1.506 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.228 2.212 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.507 4.285 -10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.277 3.708 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.916 3.186 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.025 1.677 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.094 2.017 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.601 2.863 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.045 4.187 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.839 4.947 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.285 4.128 -13.156 1.00 0.00 H new ATOM 1009 N ALA A 68 8.227 1.033 -9.306 1.00 0.00 N ATOM 1010 CA ALA A 68 6.995 0.287 -9.532 1.00 0.00 C ATOM 1011 C ALA A 68 5.916 0.694 -8.535 1.00 0.00 C ATOM 1012 O ALA A 68 4.728 0.705 -8.859 1.00 0.00 O ATOM 1013 CB ALA A 68 7.260 -1.209 -9.443 1.00 0.00 C ATOM 0 H ALA A 68 9.012 0.465 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 68 6.635 0.523 -10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.331 -1.754 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.992 -1.494 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.646 -1.452 -8.453 1.00 0.00 H new ATOM 1019 N LEU A 69 6.336 1.028 -7.319 1.00 0.00 N ATOM 1020 CA LEU A 69 5.404 1.436 -6.273 1.00 0.00 C ATOM 1021 C LEU A 69 4.524 2.588 -6.746 1.00 0.00 C ATOM 1022 O LEU A 69 3.297 2.522 -6.661 1.00 0.00 O ATOM 1023 CB LEU A 69 6.169 1.847 -5.014 1.00 0.00 C ATOM 1024 CG LEU A 69 5.338 2.492 -3.905 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.275 1.528 -3.404 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.235 2.942 -2.760 1.00 0.00 C ATOM 0 H LEU A 69 7.315 1.024 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 69 4.763 0.586 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.659 0.963 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.956 2.543 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 69 4.838 3.369 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.694 2.005 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.614 1.255 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.754 0.631 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.627 3.399 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.763 2.080 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.958 3.669 -3.129 1.00 0.00 H new ATOM 1038 N LEU A 70 5.158 3.642 -7.248 1.00 0.00 N ATOM 1039 CA LEU A 70 4.433 4.810 -7.738 1.00 0.00 C ATOM 1040 C LEU A 70 3.574 4.450 -8.947 1.00 0.00 C ATOM 1041 O LEU A 70 2.371 4.702 -8.962 1.00 0.00 O ATOM 1042 CB LEU A 70 5.412 5.925 -8.108 1.00 0.00 C ATOM 1043 CG LEU A 70 6.071 6.655 -6.936 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.206 7.540 -7.429 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.042 7.478 -6.175 1.00 0.00 C ATOM 0 H LEU A 70 6.173 3.712 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 70 3.778 5.161 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.197 5.499 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.883 6.659 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 70 6.487 5.911 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.663 8.051 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.955 6.926 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.814 8.277 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.528 7.991 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.597 8.214 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.263 6.820 -5.789 1.00 0.00 H new ATOM 1057 N GLN A 71 4.203 3.855 -9.956 1.00 0.00 N ATOM 1058 CA GLN A 71 3.496 3.459 -11.168 1.00 0.00 C ATOM 1059 C GLN A 71 2.081 2.993 -10.844 1.00 0.00 C ATOM 1060 O GLN A 71 1.107 3.506 -11.394 1.00 0.00 O ATOM 1061 CB GLN A 71 4.260 2.347 -11.888 1.00 0.00 C ATOM 1062 CG GLN A 71 5.334 2.860 -12.833 1.00 0.00 C ATOM 1063 CD GLN A 71 4.797 3.168 -14.217 1.00 0.00 C ATOM 1064 OE1 GLN A 71 3.591 3.103 -14.455 1.00 0.00 O ATOM 1065 NE2 GLN A 71 5.692 3.505 -15.139 1.00 0.00 N ATOM 0 H GLN A 71 5.199 3.637 -9.958 1.00 0.00 H new ATOM 0 HA GLN A 71 3.432 4.328 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.722 1.696 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.553 1.738 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.782 3.761 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.127 2.117 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.682 3.546 -14.898 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.389 3.723 -16.088 1.00 0.00 H new ATOM 1074 N GLU A 72 1.974 2.015 -9.950 1.00 0.00 N ATOM 1075 CA GLU A 72 0.677 1.479 -9.555 1.00 0.00 C ATOM 1076 C GLU A 72 -0.223 2.583 -9.006 1.00 0.00 C ATOM 1077 O GLU A 72 -1.371 2.731 -9.428 1.00 0.00 O ATOM 1078 CB GLU A 72 0.853 0.379 -8.506 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.451 -0.286 -8.098 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.025 -1.164 -9.193 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -1.299 -0.640 -10.292 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.201 -2.377 -8.951 1.00 0.00 O ATOM 0 H GLU A 72 2.770 1.578 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 72 0.203 1.054 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.531 -0.379 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.327 0.804 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.284 -0.888 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.179 0.481 -7.834 1.00 0.00 H new ATOM 1089 N LEU A 73 0.305 3.353 -8.060 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.449 4.442 -7.451 1.00 0.00 C ATOM 1091 C LEU A 73 -1.086 5.327 -8.519 1.00 0.00 C ATOM 1092 O LEU A 73 -2.281 5.616 -8.466 1.00 0.00 O ATOM 1093 CB LEU A 73 0.462 5.282 -6.555 1.00 0.00 C ATOM 1094 CG LEU A 73 0.641 4.780 -5.121 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.819 5.476 -4.456 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.633 4.998 -4.318 1.00 0.00 C ATOM 0 H LEU A 73 1.252 3.243 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.243 4.006 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.444 5.341 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.065 6.297 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 73 0.848 3.710 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.932 5.107 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.729 5.269 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.642 6.551 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.488 4.635 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.870 6.062 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.454 4.453 -4.784 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.281 5.749 -9.488 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.767 6.599 -10.568 1.00 0.00 C ATOM 1110 C GLN A 74 -1.997 5.986 -11.231 1.00 0.00 C ATOM 1111 O GLN A 74 -2.950 6.692 -11.564 1.00 0.00 O ATOM 1112 CB GLN A 74 0.333 6.816 -11.609 1.00 0.00 C ATOM 1113 CG GLN A 74 1.625 7.362 -11.024 1.00 0.00 C ATOM 1114 CD GLN A 74 2.783 7.290 -11.999 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.630 7.580 -13.186 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.952 6.903 -11.502 1.00 0.00 N ATOM 0 H GLN A 74 0.710 5.516 -9.547 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.048 7.562 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.541 5.870 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.031 7.505 -12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.473 8.398 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.877 6.801 -10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.034 6.672 -10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.768 6.837 -12.110 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.969 4.671 -11.419 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.081 3.965 -12.043 1.00 0.00 C ATOM 1127 C ARG A 75 -4.398 4.304 -11.351 1.00 0.00 C ATOM 1128 O ARG A 75 -5.451 4.344 -11.986 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.843 2.454 -11.997 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.508 2.030 -12.585 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.612 1.780 -14.082 1.00 0.00 C ATOM 1132 NE ARG A 75 -1.473 3.012 -14.854 1.00 0.00 N ATOM 1133 CZ ARG A 75 -1.165 3.039 -16.146 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -0.966 1.907 -16.807 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -1.056 4.200 -16.779 1.00 0.00 N ATOM 0 H ARG A 75 -1.188 4.073 -11.148 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.144 4.285 -13.083 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.898 2.117 -10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.645 1.952 -12.538 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.764 2.803 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.161 1.125 -12.087 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.840 1.073 -14.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.574 1.318 -14.306 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.620 3.900 -14.375 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.049 1.013 -16.324 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.730 1.930 -17.799 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.209 5.073 -16.274 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.819 4.220 -17.771 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.329 4.547 -10.047 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.516 4.884 -9.269 1.00 0.00 C ATOM 1151 C TRP A 76 -5.800 6.380 -9.327 1.00 0.00 C ATOM 1152 O TRP A 76 -6.769 6.814 -9.948 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.341 4.440 -7.816 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.051 2.977 -7.672 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.863 2.409 -7.310 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.965 1.896 -7.889 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.984 1.040 -7.289 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.264 0.701 -7.640 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.309 1.823 -8.267 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.862 -0.551 -7.758 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.900 0.580 -8.385 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.178 -0.594 -8.130 1.00 0.00 C ATOM 0 H TRP A 76 -3.465 4.517 -9.506 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.366 4.357 -9.703 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.529 5.010 -7.365 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.247 4.680 -7.259 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.961 2.955 -7.075 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.241 0.383 -7.051 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.875 2.722 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.307 -1.456 -7.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.937 0.512 -8.679 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.670 -1.550 -8.229 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.947 7.165 -8.675 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.105 8.614 -8.655 1.00 0.00 C ATOM 1175 C ALA A 77 -4.599 9.240 -9.950 1.00 0.00 C ATOM 1176 O ALA A 77 -5.384 9.714 -10.769 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.376 9.207 -7.460 1.00 0.00 C ATOM 0 H ALA A 77 -4.140 6.821 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.168 8.838 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.502 10.290 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.787 8.791 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.315 8.966 -7.525 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.282 9.238 -10.127 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.693 9.808 -11.325 1.00 0.00 C ATOM 1185 C GLY A 78 -1.308 10.375 -11.078 1.00 0.00 C ATOM 1186 O GLY A 78 -0.317 9.647 -11.028 1.00 0.00 O ATOM 0 H GLY A 78 -2.612 8.852 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.636 9.042 -12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.342 10.596 -11.705 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.228 11.704 -10.918 1.00 0.00 N ATOM 1191 CA PRO A 79 0.040 12.396 -10.673 1.00 0.00 C ATOM 1192 C PRO A 79 0.605 12.099 -9.289 1.00 0.00 C ATOM 1193 O PRO A 79 0.027 12.486 -8.274 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.335 13.876 -10.790 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.788 13.926 -10.462 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.369 12.633 -10.965 1.00 0.00 C ATOM 0 HA PRO A 79 0.816 12.082 -11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.248 14.488 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.142 14.255 -11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.943 14.032 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.267 14.781 -10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.192 12.291 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.762 12.736 -11.977 1.00 0.00 H new ATOM 1204 N LEU A 80 1.740 11.407 -9.255 1.00 0.00 N ATOM 1205 CA LEU A 80 2.384 11.057 -7.994 1.00 0.00 C ATOM 1206 C LEU A 80 3.830 11.540 -7.969 1.00 0.00 C ATOM 1207 O LEU A 80 4.572 11.409 -8.944 1.00 0.00 O ATOM 1208 CB LEU A 80 2.337 9.543 -7.777 1.00 0.00 C ATOM 1209 CG LEU A 80 1.111 9.010 -7.034 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.104 9.500 -5.595 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.167 9.426 -7.748 1.00 0.00 C ATOM 0 H LEU A 80 2.232 11.078 -10.086 1.00 0.00 H new ATOM 0 HA LEU A 80 1.841 11.551 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.388 9.055 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.229 9.247 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 80 1.160 7.921 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.224 9.111 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.004 9.152 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.079 10.590 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.029 9.038 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.223 10.514 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.165 9.024 -8.761 1.00 0.00 H new ATOM 1223 N PRO A 81 4.244 12.112 -6.828 1.00 0.00 N ATOM 1224 CA PRO A 81 5.607 12.624 -6.648 1.00 0.00 C ATOM 1225 C PRO A 81 6.641 11.506 -6.579 1.00 0.00 C ATOM 1226 O PRO A 81 6.342 10.350 -6.875 1.00 0.00 O ATOM 1227 CB PRO A 81 5.532 13.368 -5.313 1.00 0.00 C ATOM 1228 CG PRO A 81 4.411 12.717 -4.579 1.00 0.00 C ATOM 1229 CD PRO A 81 3.416 12.301 -5.627 1.00 0.00 C ATOM 0 HA PRO A 81 5.922 13.250 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.468 13.285 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.343 14.431 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.764 11.855 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.960 13.406 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.898 11.383 -5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.653 13.064 -5.781 1.00 0.00 H new ATOM 1237 N ALA A 82 7.861 11.859 -6.185 1.00 0.00 N ATOM 1238 CA ALA A 82 8.940 10.885 -6.074 1.00 0.00 C ATOM 1239 C ALA A 82 9.658 11.011 -4.735 1.00 0.00 C ATOM 1240 O ALA A 82 9.591 10.114 -3.895 1.00 0.00 O ATOM 1241 CB ALA A 82 9.924 11.055 -7.222 1.00 0.00 C ATOM 0 H ALA A 82 8.126 12.812 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 82 8.503 9.888 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.725 10.321 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.407 10.906 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.347 12.059 -7.193 1.00 0.00 H new ATOM 1247 N THR A 83 10.348 12.131 -4.543 1.00 0.00 N ATOM 1248 CA THR A 83 11.081 12.375 -3.307 1.00 0.00 C ATOM 1249 C THR A 83 10.165 12.262 -2.094 1.00 0.00 C ATOM 1250 O THR A 83 10.550 11.708 -1.063 1.00 0.00 O ATOM 1251 CB THR A 83 11.741 13.766 -3.310 1.00 0.00 C ATOM 1252 OG1 THR A 83 10.742 14.782 -3.449 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.752 13.883 -4.440 1.00 0.00 C ATOM 0 H THR A 83 10.414 12.884 -5.228 1.00 0.00 H new ATOM 0 HA THR A 83 11.858 11.613 -3.245 1.00 0.00 H new ATOM 0 HB THR A 83 12.263 13.898 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.170 15.664 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.205 14.874 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.527 13.127 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.249 13.731 -5.395 1.00 0.00 H new ATOM 1261 N HIS A 84 8.952 12.788 -2.222 1.00 0.00 N ATOM 1262 CA HIS A 84 7.980 12.744 -1.135 1.00 0.00 C ATOM 1263 C HIS A 84 7.961 11.368 -0.478 1.00 0.00 C ATOM 1264 O HIS A 84 7.933 11.255 0.749 1.00 0.00 O ATOM 1265 CB HIS A 84 6.585 13.093 -1.656 1.00 0.00 C ATOM 1266 CG HIS A 84 6.274 14.557 -1.602 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.472 15.121 -0.634 1.00 0.00 N ATOM 1268 CD2 HIS A 84 6.664 15.575 -2.406 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.381 16.423 -0.844 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.096 16.723 -1.913 1.00 0.00 N ATOM 0 H HIS A 84 8.618 13.250 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 84 8.275 13.480 -0.387 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.494 12.749 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.842 12.550 -1.072 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.303 15.498 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.818 17.122 -0.244 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.208 17.657 -2.308 1.00 0.00 H new ATOM 1279 N LEU A 85 7.977 10.325 -1.300 1.00 0.00 N ATOM 1280 CA LEU A 85 7.962 8.955 -0.798 1.00 0.00 C ATOM 1281 C LEU A 85 9.088 8.730 0.205 1.00 0.00 C ATOM 1282 O LEU A 85 10.243 9.067 -0.057 1.00 0.00 O ATOM 1283 CB LEU A 85 8.091 7.965 -1.958 1.00 0.00 C ATOM 1284 CG LEU A 85 8.223 6.492 -1.571 1.00 0.00 C ATOM 1285 CD1 LEU A 85 7.036 6.052 -0.727 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.347 5.623 -2.814 1.00 0.00 C ATOM 0 H LEU A 85 8.000 10.401 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 85 7.011 8.790 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.218 8.074 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.962 8.243 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 85 9.129 6.373 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.148 5.001 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.993 6.653 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.116 6.186 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.440 4.578 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.460 5.747 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.230 5.921 -3.379 1.00 0.00 H new ATOM 1298 N ARG A 86 8.745 8.156 1.353 1.00 0.00 N ATOM 1299 CA ARG A 86 9.728 7.884 2.396 1.00 0.00 C ATOM 1300 C ARG A 86 9.339 6.647 3.200 1.00 0.00 C ATOM 1301 O ARG A 86 8.221 6.547 3.705 1.00 0.00 O ATOM 1302 CB ARG A 86 9.860 9.090 3.328 1.00 0.00 C ATOM 1303 CG ARG A 86 10.840 10.140 2.830 1.00 0.00 C ATOM 1304 CD ARG A 86 10.792 11.396 3.685 1.00 0.00 C ATOM 1305 NE ARG A 86 11.321 12.560 2.979 1.00 0.00 N ATOM 1306 CZ ARG A 86 11.418 13.768 3.523 1.00 0.00 C ATOM 1307 NH1 ARG A 86 11.023 13.970 4.772 1.00 0.00 N ATOM 1308 NH2 ARG A 86 11.910 14.777 2.816 1.00 0.00 N ATOM 0 H ARG A 86 7.794 7.870 1.585 1.00 0.00 H new ATOM 0 HA ARG A 86 10.689 7.697 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.880 9.550 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.179 8.745 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.850 9.730 2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.609 10.394 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.762 11.591 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.365 11.235 4.598 1.00 0.00 H new ATOM 0 HE ARG A 86 11.633 12.439 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.643 13.197 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.099 14.899 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.214 14.625 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.984 15.704 3.234 1.00 0.00 H new ATOM 1322 N HIS A 87 10.271 5.705 3.313 1.00 0.00 N ATOM 1323 CA HIS A 87 10.026 4.473 4.055 1.00 0.00 C ATOM 1324 C HIS A 87 9.904 4.755 5.549 1.00 0.00 C ATOM 1325 O HIS A 87 10.818 5.305 6.165 1.00 0.00 O ATOM 1326 CB HIS A 87 11.152 3.469 3.804 1.00 0.00 C ATOM 1327 CG HIS A 87 11.164 2.328 4.773 1.00 0.00 C ATOM 1328 ND1 HIS A 87 11.963 2.302 5.896 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.465 1.168 4.783 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.758 1.175 6.554 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.853 0.469 5.901 1.00 0.00 N ATOM 0 H HIS A 87 11.202 5.771 2.901 1.00 0.00 H new ATOM 0 HA HIS A 87 9.086 4.048 3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.057 3.075 2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.109 3.988 3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.738 0.851 4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.248 0.881 7.471 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.500 -0.446 6.181 1.00 0.00 H new ATOM 1340 N LEU A 88 8.769 4.375 6.127 1.00 0.00 N ATOM 1341 CA LEU A 88 8.527 4.588 7.550 1.00 0.00 C ATOM 1342 C LEU A 88 8.147 3.281 8.238 1.00 0.00 C ATOM 1343 O LEU A 88 6.973 2.920 8.305 1.00 0.00 O ATOM 1344 CB LEU A 88 7.419 5.623 7.749 1.00 0.00 C ATOM 1345 CG LEU A 88 7.515 6.883 6.889 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.279 7.751 7.073 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.774 7.667 7.228 1.00 0.00 C ATOM 0 H LEU A 88 8.003 3.918 5.633 1.00 0.00 H new ATOM 0 HA LEU A 88 9.448 4.960 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.461 5.143 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.413 5.922 8.797 1.00 0.00 H new ATOM 0 HG LEU A 88 7.570 6.581 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.365 8.643 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.393 7.189 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.192 8.043 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.825 8.560 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.750 7.957 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.650 7.046 7.043 1.00 0.00 H new ATOM 1359 N GLY A 89 9.150 2.575 8.752 1.00 0.00 N ATOM 1360 CA GLY A 89 8.901 1.317 9.431 1.00 0.00 C ATOM 1361 C GLY A 89 8.504 0.210 8.475 1.00 0.00 C ATOM 1362 O GLY A 89 8.595 0.371 7.258 1.00 0.00 O ATOM 0 H GLY A 89 10.131 2.852 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.797 1.018 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.111 1.456 10.169 1.00 0.00 H new ATOM 1366 N GLU A 90 8.062 -0.916 9.026 1.00 0.00 N ATOM 1367 CA GLU A 90 7.652 -2.054 8.211 1.00 0.00 C ATOM 1368 C GLU A 90 6.546 -2.846 8.902 1.00 0.00 C ATOM 1369 O GLU A 90 6.225 -2.602 10.064 1.00 0.00 O ATOM 1370 CB GLU A 90 8.848 -2.966 7.930 1.00 0.00 C ATOM 1371 CG GLU A 90 9.252 -3.824 9.117 1.00 0.00 C ATOM 1372 CD GLU A 90 9.521 -3.004 10.365 1.00 0.00 C ATOM 1373 OE1 GLU A 90 10.426 -2.144 10.325 1.00 0.00 O ATOM 1374 OE2 GLU A 90 8.827 -3.221 11.380 1.00 0.00 O ATOM 0 H GLU A 90 7.979 -1.065 10.032 1.00 0.00 H new ATOM 0 HA GLU A 90 7.266 -1.672 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.609 -3.615 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.698 -2.354 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.462 -4.546 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.145 -4.394 8.861 1.00 0.00 H new ATOM 1381 N VAL A 91 5.965 -3.796 8.175 1.00 0.00 N ATOM 1382 CA VAL A 91 4.895 -4.626 8.717 1.00 0.00 C ATOM 1383 C VAL A 91 5.011 -6.064 8.224 1.00 0.00 C ATOM 1384 O VAL A 91 4.736 -6.356 7.060 1.00 0.00 O ATOM 1385 CB VAL A 91 3.508 -4.074 8.335 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.424 -5.097 8.636 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.237 -2.767 9.063 1.00 0.00 C ATOM 0 H VAL A 91 6.217 -4.010 7.210 1.00 0.00 H new ATOM 0 HA VAL A 91 4.999 -4.608 9.802 1.00 0.00 H new ATOM 0 HB VAL A 91 3.498 -3.875 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.452 -4.689 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.612 -6.006 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.430 -5.331 9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.253 -2.391 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.266 -2.937 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.997 -2.035 8.791 1.00 0.00 H new ATOM 1397 N VAL A 92 5.420 -6.959 9.117 1.00 0.00 N ATOM 1398 CA VAL A 92 5.572 -8.368 8.775 1.00 0.00 C ATOM 1399 C VAL A 92 4.603 -9.234 9.572 1.00 0.00 C ATOM 1400 O VAL A 92 4.783 -9.441 10.772 1.00 0.00 O ATOM 1401 CB VAL A 92 7.009 -8.856 9.029 1.00 0.00 C ATOM 1402 CG1 VAL A 92 7.086 -10.372 8.920 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.976 -8.194 8.060 1.00 0.00 C ATOM 0 H VAL A 92 5.652 -6.733 10.084 1.00 0.00 H new ATOM 0 HA VAL A 92 5.348 -8.462 7.712 1.00 0.00 H new ATOM 0 HB VAL A 92 7.296 -8.574 10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.110 -10.698 9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.424 -10.824 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.780 -10.681 7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.987 -8.551 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.694 -8.443 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.941 -7.113 8.193 1.00 0.00 H new ATOM 1413 N HIS A 93 3.576 -9.740 8.896 1.00 0.00 N ATOM 1414 CA HIS A 93 2.579 -10.586 9.541 1.00 0.00 C ATOM 1415 C HIS A 93 2.826 -12.058 9.222 1.00 0.00 C ATOM 1416 O HIS A 93 3.289 -12.399 8.133 1.00 0.00 O ATOM 1417 CB HIS A 93 1.172 -10.185 9.095 1.00 0.00 C ATOM 1418 CG HIS A 93 0.083 -10.870 9.861 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.767 -10.202 10.718 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.294 -12.169 9.895 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.620 -11.062 11.247 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.354 -12.263 10.763 1.00 0.00 N ATOM 0 H HIS A 93 3.413 -9.579 7.902 1.00 0.00 H new ATOM 0 HA HIS A 93 2.664 -10.447 10.619 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.059 -9.106 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.057 -10.412 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.155 -12.981 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.401 -10.824 11.954 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.855 -13.120 10.996 1.00 0.00 H new ATOM 1431 N THR A 94 2.516 -12.927 10.179 1.00 0.00 N ATOM 1432 CA THR A 94 2.706 -14.361 10.000 1.00 0.00 C ATOM 1433 C THR A 94 1.368 -15.087 9.922 1.00 0.00 C ATOM 1434 O THR A 94 0.603 -15.106 10.886 1.00 0.00 O ATOM 1435 CB THR A 94 3.537 -14.963 11.149 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.761 -14.235 11.303 1.00 0.00 O ATOM 1437 CG2 THR A 94 3.845 -16.430 10.881 1.00 0.00 C ATOM 0 H THR A 94 2.132 -12.663 11.086 1.00 0.00 H new ATOM 0 HA THR A 94 3.244 -14.495 9.062 1.00 0.00 H new ATOM 0 HB THR A 94 2.954 -14.890 12.067 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.282 -14.623 12.036 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.433 -16.835 11.705 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.912 -16.987 10.792 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.411 -16.519 9.954 1.00 0.00 H new ATOM 1445 N PHE A 95 1.092 -15.685 8.768 1.00 0.00 N ATOM 1446 CA PHE A 95 -0.154 -16.414 8.563 1.00 0.00 C ATOM 1447 C PHE A 95 0.076 -17.920 8.649 1.00 0.00 C ATOM 1448 O PHE A 95 1.212 -18.379 8.768 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.762 -16.056 7.206 1.00 0.00 C ATOM 1450 CG PHE A 95 -1.089 -14.597 7.060 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -1.831 -13.941 8.028 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.653 -13.882 5.957 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.134 -12.599 7.897 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -0.953 -12.540 5.820 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.694 -11.897 6.792 1.00 0.00 C ATOM 0 H PHE A 95 1.715 -15.679 7.960 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.849 -16.125 9.352 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.066 -16.345 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.671 -16.640 7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.177 -14.484 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.072 -14.379 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.715 -12.099 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.608 -11.995 4.954 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.929 -10.848 6.688 1.00 0.00 H new ATOM 1465 N SER A 96 -1.012 -18.683 8.590 1.00 0.00 N ATOM 1466 CA SER A 96 -0.930 -20.137 8.665 1.00 0.00 C ATOM 1467 C SER A 96 0.159 -20.668 7.739 1.00 0.00 C ATOM 1468 O SER A 96 0.156 -20.398 6.538 1.00 0.00 O ATOM 1469 CB SER A 96 -2.277 -20.764 8.300 1.00 0.00 C ATOM 1470 OG SER A 96 -3.108 -20.888 9.441 1.00 0.00 O ATOM 0 H SER A 96 -1.959 -18.318 8.491 1.00 0.00 H new ATOM 0 HA SER A 96 -0.676 -20.410 9.689 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.775 -20.151 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.116 -21.746 7.855 1.00 0.00 H new ATOM 0 HG SER A 96 -3.963 -21.290 9.181 1.00 0.00 H new ATOM 1476 N HIS A 97 1.092 -21.427 8.307 1.00 0.00 N ATOM 1477 CA HIS A 97 2.189 -21.998 7.534 1.00 0.00 C ATOM 1478 C HIS A 97 2.632 -21.042 6.431 1.00 0.00 C ATOM 1479 O HIS A 97 3.112 -21.470 5.381 1.00 0.00 O ATOM 1480 CB HIS A 97 1.768 -23.337 6.925 1.00 0.00 C ATOM 1481 CG HIS A 97 1.240 -23.221 5.528 1.00 0.00 C ATOM 1482 ND1 HIS A 97 1.911 -23.712 4.428 1.00 0.00 N ATOM 1483 CD2 HIS A 97 0.100 -22.666 5.055 1.00 0.00 C ATOM 1484 CE1 HIS A 97 1.206 -23.464 3.338 1.00 0.00 C ATOM 1485 NE2 HIS A 97 0.103 -22.830 3.692 1.00 0.00 N ATOM 0 H HIS A 97 1.110 -21.660 9.300 1.00 0.00 H new ATOM 0 HA HIS A 97 3.030 -22.161 8.208 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.624 -24.012 6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.004 -23.790 7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.669 -22.184 5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.484 -23.734 2.330 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.629 -22.513 3.056 1.00 0.00 H new ATOM 1494 N ILE A 98 2.466 -19.746 6.676 1.00 0.00 N ATOM 1495 CA ILE A 98 2.849 -18.731 5.704 1.00 0.00 C ATOM 1496 C ILE A 98 3.343 -17.466 6.397 1.00 0.00 C ATOM 1497 O ILE A 98 2.926 -17.151 7.512 1.00 0.00 O ATOM 1498 CB ILE A 98 1.675 -18.367 4.776 1.00 0.00 C ATOM 1499 CG1 ILE A 98 1.294 -19.567 3.906 1.00 0.00 C ATOM 1500 CG2 ILE A 98 2.035 -17.171 3.908 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.106 -19.485 3.340 1.00 0.00 C ATOM 0 H ILE A 98 2.069 -19.375 7.539 1.00 0.00 H new ATOM 0 HA ILE A 98 3.656 -19.156 5.107 1.00 0.00 H new ATOM 0 HB ILE A 98 0.816 -18.099 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.005 -19.649 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.385 -20.478 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.195 -16.927 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.263 -16.315 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.906 -17.412 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.306 -20.369 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.826 -19.434 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.196 -18.593 2.720 1.00 0.00 H new ATOM 1513 N LYS A 99 4.234 -16.741 5.729 1.00 0.00 N ATOM 1514 CA LYS A 99 4.786 -15.508 6.278 1.00 0.00 C ATOM 1515 C LYS A 99 4.807 -14.405 5.225 1.00 0.00 C ATOM 1516 O LYS A 99 5.397 -14.565 4.155 1.00 0.00 O ATOM 1517 CB LYS A 99 6.201 -15.747 6.808 1.00 0.00 C ATOM 1518 CG LYS A 99 6.582 -14.836 7.961 1.00 0.00 C ATOM 1519 CD LYS A 99 8.081 -14.589 8.006 1.00 0.00 C ATOM 1520 CE LYS A 99 8.469 -13.371 7.183 1.00 0.00 C ATOM 1521 NZ LYS A 99 9.943 -13.281 6.987 1.00 0.00 N ATOM 0 H LYS A 99 4.590 -16.987 4.805 1.00 0.00 H new ATOM 0 HA LYS A 99 4.146 -15.190 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.288 -16.784 7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.913 -15.606 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.059 -13.885 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.258 -15.282 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.397 -14.447 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.607 -15.466 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.976 -13.416 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.113 -12.468 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.167 -12.438 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.413 -13.212 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.280 -14.130 6.490 1.00 0.00 H new ATOM 1535 N LEU A 100 4.160 -13.286 5.533 1.00 0.00 N ATOM 1536 CA LEU A 100 4.105 -12.155 4.612 1.00 0.00 C ATOM 1537 C LEU A 100 4.978 -11.007 5.109 1.00 0.00 C ATOM 1538 O LEU A 100 5.170 -10.833 6.313 1.00 0.00 O ATOM 1539 CB LEU A 100 2.661 -11.678 4.445 1.00 0.00 C ATOM 1540 CG LEU A 100 1.842 -12.385 3.364 1.00 0.00 C ATOM 1541 CD1 LEU A 100 2.193 -11.840 1.988 1.00 0.00 C ATOM 1542 CD2 LEU A 100 2.071 -13.887 3.419 1.00 0.00 C ATOM 0 H LEU A 100 3.666 -13.137 6.413 1.00 0.00 H new ATOM 0 HA LEU A 100 4.486 -12.485 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.147 -11.798 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.675 -10.611 4.222 1.00 0.00 H new ATOM 0 HG LEU A 100 0.785 -12.192 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.601 -12.354 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.977 -10.772 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.253 -12.002 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.480 -14.374 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.128 -14.100 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.769 -14.266 4.396 1.00 0.00 H new ATOM 1554 N THR A 101 5.503 -10.222 4.173 1.00 0.00 N ATOM 1555 CA THR A 101 6.355 -9.090 4.515 1.00 0.00 C ATOM 1556 C THR A 101 5.958 -7.847 3.727 1.00 0.00 C ATOM 1557 O THR A 101 6.228 -7.745 2.531 1.00 0.00 O ATOM 1558 CB THR A 101 7.839 -9.402 4.245 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.251 -10.533 5.021 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.714 -8.204 4.584 1.00 0.00 C ATOM 0 H THR A 101 5.353 -10.350 3.172 1.00 0.00 H new ATOM 0 HA THR A 101 6.219 -8.902 5.580 1.00 0.00 H new ATOM 0 HB THR A 101 7.953 -9.628 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.195 -10.726 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.758 -8.448 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.418 -7.352 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.594 -7.953 5.638 1.00 0.00 H new ATOM 1568 N TYR A 102 5.316 -6.902 4.406 1.00 0.00 N ATOM 1569 CA TYR A 102 4.880 -5.666 3.769 1.00 0.00 C ATOM 1570 C TYR A 102 5.779 -4.500 4.170 1.00 0.00 C ATOM 1571 O TYR A 102 6.218 -4.408 5.315 1.00 0.00 O ATOM 1572 CB TYR A 102 3.429 -5.358 4.145 1.00 0.00 C ATOM 1573 CG TYR A 102 2.419 -6.196 3.395 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.167 -7.512 3.765 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.713 -5.673 2.319 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.246 -8.283 3.083 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.788 -6.435 1.632 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.559 -7.740 2.018 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.361 -8.504 1.336 1.00 0.00 O ATOM 0 H TYR A 102 5.086 -6.969 5.398 1.00 0.00 H new ATOM 0 HA TYR A 102 4.948 -5.800 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.298 -5.518 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.228 -4.304 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.701 -7.939 4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.891 -4.652 2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.065 -9.305 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.247 -6.012 0.798 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.757 -7.972 0.615 1.00 0.00 H new ATOM 1589 N GLN A 103 6.047 -3.613 3.217 1.00 0.00 N ATOM 1590 CA GLN A 103 6.893 -2.454 3.469 1.00 0.00 C ATOM 1591 C GLN A 103 6.058 -1.181 3.568 1.00 0.00 C ATOM 1592 O GLN A 103 5.442 -0.753 2.592 1.00 0.00 O ATOM 1593 CB GLN A 103 7.938 -2.307 2.362 1.00 0.00 C ATOM 1594 CG GLN A 103 8.947 -3.444 2.323 1.00 0.00 C ATOM 1595 CD GLN A 103 9.867 -3.449 3.528 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.856 -2.717 3.571 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.545 -4.276 4.516 1.00 0.00 N ATOM 0 H GLN A 103 5.690 -3.675 2.264 1.00 0.00 H new ATOM 0 HA GLN A 103 7.402 -2.608 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.430 -2.250 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.469 -1.365 2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.416 -4.394 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.544 -3.364 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.716 -4.865 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.127 -4.322 5.353 1.00 0.00 H new ATOM 1606 N VAL A 104 6.041 -0.580 4.754 1.00 0.00 N ATOM 1607 CA VAL A 104 5.282 0.643 4.980 1.00 0.00 C ATOM 1608 C VAL A 104 5.914 1.824 4.250 1.00 0.00 C ATOM 1609 O VAL A 104 7.085 2.143 4.460 1.00 0.00 O ATOM 1610 CB VAL A 104 5.185 0.974 6.481 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.359 2.234 6.698 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.595 -0.200 7.248 1.00 0.00 C ATOM 0 H VAL A 104 6.545 -0.921 5.573 1.00 0.00 H new ATOM 0 HA VAL A 104 4.280 0.471 4.588 1.00 0.00 H new ATOM 0 HB VAL A 104 6.190 1.158 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.301 2.452 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.829 3.071 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.354 2.083 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.534 0.051 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.597 -0.418 6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.231 -1.076 7.119 1.00 0.00 H new ATOM 1622 N TYR A 105 5.130 2.470 3.394 1.00 0.00 N ATOM 1623 CA TYR A 105 5.612 3.615 2.632 1.00 0.00 C ATOM 1624 C TYR A 105 4.637 4.785 2.729 1.00 0.00 C ATOM 1625 O TYR A 105 3.428 4.614 2.582 1.00 0.00 O ATOM 1626 CB TYR A 105 5.817 3.229 1.165 1.00 0.00 C ATOM 1627 CG TYR A 105 7.072 2.422 0.922 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.323 3.025 0.932 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.007 1.055 0.683 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.472 2.292 0.709 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.151 0.313 0.461 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.381 0.936 0.474 1.00 0.00 C ATOM 1633 OH TYR A 105 10.524 0.202 0.253 1.00 0.00 O ATOM 0 H TYR A 105 4.158 2.220 3.211 1.00 0.00 H new ATOM 0 HA TYR A 105 6.567 3.925 3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.955 2.656 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.855 4.136 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.399 4.086 1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.045 0.564 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.436 2.778 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.082 -0.749 0.278 1.00 0.00 H new ATOM 0 HH TYR A 105 10.286 -0.737 0.105 1.00 0.00 H new ATOM 1643 N GLY A 106 5.175 5.976 2.977 1.00 0.00 N ATOM 1644 CA GLY A 106 4.339 7.157 3.090 1.00 0.00 C ATOM 1645 C GLY A 106 4.395 8.027 1.850 1.00 0.00 C ATOM 1646 O GLY A 106 5.411 8.066 1.155 1.00 0.00 O ATOM 0 H GLY A 106 6.173 6.144 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.308 6.853 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.655 7.741 3.954 1.00 0.00 H new ATOM 1650 N LEU A 107 3.300 8.725 1.570 1.00 0.00 N ATOM 1651 CA LEU A 107 3.226 9.598 0.403 1.00 0.00 C ATOM 1652 C LEU A 107 2.005 10.507 0.479 1.00 0.00 C ATOM 1653 O LEU A 107 0.874 10.037 0.603 1.00 0.00 O ATOM 1654 CB LEU A 107 3.177 8.764 -0.879 1.00 0.00 C ATOM 1655 CG LEU A 107 3.525 9.502 -2.173 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.690 10.766 -2.307 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.009 9.833 -2.215 1.00 0.00 C ATOM 0 H LEU A 107 2.451 8.704 2.135 1.00 0.00 H new ATOM 0 HA LEU A 107 4.119 10.222 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.862 7.923 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.175 8.348 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 107 3.295 8.849 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.951 11.278 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.632 10.503 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.887 11.424 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.239 10.358 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.264 10.467 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.589 8.911 -2.167 1.00 0.00 H new ATOM 1669 N ALA A 108 2.240 11.813 0.403 1.00 0.00 N ATOM 1670 CA ALA A 108 1.159 12.789 0.460 1.00 0.00 C ATOM 1671 C ALA A 108 1.509 14.042 -0.334 1.00 0.00 C ATOM 1672 O ALA A 108 2.677 14.295 -0.633 1.00 0.00 O ATOM 1673 CB ALA A 108 0.846 13.147 1.905 1.00 0.00 C ATOM 0 H ALA A 108 3.170 12.219 0.302 1.00 0.00 H new ATOM 0 HA ALA A 108 0.274 12.341 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.037 13.877 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.544 12.250 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.733 13.571 2.375 1.00 0.00 H new ATOM 1679 N LEU A 109 0.491 14.826 -0.674 1.00 0.00 N ATOM 1680 CA LEU A 109 0.692 16.055 -1.435 1.00 0.00 C ATOM 1681 C LEU A 109 0.529 17.280 -0.542 1.00 0.00 C ATOM 1682 O LEU A 109 -0.590 17.684 -0.224 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.298 16.123 -2.600 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.243 14.964 -3.596 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.408 15.042 -4.570 1.00 0.00 C ATOM 1686 CD2 LEU A 109 1.082 14.966 -4.345 1.00 0.00 C ATOM 0 H LEU A 109 -0.482 14.633 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 109 1.708 16.048 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.307 16.176 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.125 17.052 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.322 14.029 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.352 14.209 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.347 14.990 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.361 15.982 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.103 14.134 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.191 15.905 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.902 14.861 -3.634 1.00 0.00 H new ATOM 1698 N GLU A 110 1.652 17.869 -0.143 1.00 0.00 N ATOM 1699 CA GLU A 110 1.632 19.050 0.712 1.00 0.00 C ATOM 1700 C GLU A 110 0.634 20.081 0.193 1.00 0.00 C ATOM 1701 O GLU A 110 0.168 20.941 0.941 1.00 0.00 O ATOM 1702 CB GLU A 110 3.029 19.671 0.793 1.00 0.00 C ATOM 1703 CG GLU A 110 3.350 20.600 -0.366 1.00 0.00 C ATOM 1704 CD GLU A 110 4.841 20.777 -0.576 1.00 0.00 C ATOM 1705 OE1 GLU A 110 5.453 19.915 -1.241 1.00 0.00 O ATOM 1706 OE2 GLU A 110 5.396 21.777 -0.076 1.00 0.00 O ATOM 0 H GLU A 110 2.586 17.548 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 110 1.321 18.740 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.117 20.225 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.771 18.873 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.903 20.205 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.895 21.573 -0.183 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.619 18.657 -7.172 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.568 17.570 -6.914 1.00 0.00 C ATOM 1753 C PRO A 114 -5.463 16.452 -7.946 1.00 0.00 C ATOM 1754 O PRO A 114 -4.675 16.535 -8.888 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.931 18.258 -7.006 1.00 0.00 C ATOM 1756 CG PRO A 114 -6.702 19.437 -7.888 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.293 19.889 -7.617 1.00 0.00 C ATOM 0 HA PRO A 114 -5.384 17.088 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.684 17.590 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.288 18.563 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.832 19.171 -8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.416 20.232 -7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.825 20.303 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.260 20.664 -6.851 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.264 15.408 -7.763 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.264 14.274 -8.680 1.00 0.00 C ATOM 1767 C VAL A 115 -7.573 14.196 -9.459 1.00 0.00 C ATOM 1768 O VAL A 115 -7.586 13.846 -10.639 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.047 12.945 -7.930 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -7.066 12.790 -6.812 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.119 11.772 -8.895 1.00 0.00 C ATOM 0 H VAL A 115 -6.922 15.323 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.439 14.430 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.053 12.958 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.897 11.846 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.961 13.615 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.072 12.798 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.964 10.842 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.099 11.753 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.346 11.879 -9.656 1.00 0.00 H new ATOM 1781 N THR A 116 -8.674 14.526 -8.791 1.00 0.00 N ATOM 1782 CA THR A 116 -9.988 14.494 -9.419 1.00 0.00 C ATOM 1783 C THR A 116 -10.082 13.365 -10.439 1.00 0.00 C ATOM 1784 O THR A 116 -10.689 13.520 -11.499 1.00 0.00 O ATOM 1785 CB THR A 116 -10.310 15.829 -10.118 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.632 15.899 -11.376 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.898 17.008 -9.247 1.00 0.00 C ATOM 0 H THR A 116 -8.681 14.819 -7.814 1.00 0.00 H new ATOM 0 HA THR A 116 -10.714 14.324 -8.624 1.00 0.00 H new ATOM 0 HB THR A 116 -11.386 15.878 -10.283 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.980 15.205 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.135 17.940 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.438 16.968 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.826 16.962 -9.055 1.00 0.00 H new ATOM 1795 N THR A 117 -9.477 12.227 -10.113 1.00 0.00 N ATOM 1796 CA THR A 117 -9.491 11.072 -11.000 1.00 0.00 C ATOM 1797 C THR A 117 -9.314 9.775 -10.219 1.00 0.00 C ATOM 1798 O THR A 117 -8.318 9.592 -9.518 1.00 0.00 O ATOM 1799 CB THR A 117 -8.387 11.169 -12.069 1.00 0.00 C ATOM 1800 OG1 THR A 117 -8.449 12.442 -12.723 1.00 0.00 O ATOM 1801 CG2 THR A 117 -8.528 10.057 -13.097 1.00 0.00 C ATOM 0 H THR A 117 -8.971 12.081 -9.240 1.00 0.00 H new ATOM 0 HA THR A 117 -10.463 11.066 -11.493 1.00 0.00 H new ATOM 0 HB THR A 117 -7.422 11.062 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.027 13.121 -12.157 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.737 10.147 -13.841 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.450 9.090 -12.600 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.498 10.136 -13.587 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.285 8.876 -10.343 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.234 7.595 -9.649 1.00 0.00 C ATOM 1811 C VAL A 118 -11.229 6.605 -10.248 1.00 0.00 C ATOM 1812 O VAL A 118 -12.406 6.910 -10.439 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.530 7.758 -8.147 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -11.999 8.087 -7.925 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.136 6.500 -7.387 1.00 0.00 C ATOM 0 H VAL A 118 -11.117 9.011 -10.918 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.222 7.209 -9.772 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.935 8.587 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.190 8.199 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.245 9.017 -8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.616 7.281 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.352 6.633 -6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.703 5.651 -7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.070 6.314 -7.520 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.745 5.391 -10.552 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.575 4.332 -11.132 1.00 0.00 C ATOM 1827 C PRO A 119 -12.596 3.785 -10.139 1.00 0.00 C ATOM 1828 O PRO A 119 -12.542 4.062 -8.941 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.560 3.249 -11.505 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.410 3.475 -10.584 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.352 4.960 -10.351 1.00 0.00 C ATOM 0 HA PRO A 119 -12.164 4.693 -11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.980 2.251 -11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.255 3.335 -12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.550 2.938 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.481 3.112 -11.023 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.999 5.196 -9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.675 5.450 -11.050 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.549 2.991 -10.647 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.600 2.388 -9.821 1.00 0.00 C ATOM 1841 C PRO A 120 -14.058 1.309 -8.890 1.00 0.00 C ATOM 1842 O PRO A 120 -14.804 0.709 -8.119 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.554 1.777 -10.851 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.705 1.523 -12.049 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.675 2.618 -12.066 1.00 0.00 C ATOM 0 HA PRO A 120 -15.072 3.119 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.000 0.855 -10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.374 2.457 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.232 0.543 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.303 1.535 -12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.726 2.271 -12.476 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.996 3.462 -12.676 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.753 1.066 -8.969 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.134 0.059 -8.127 1.00 0.00 C ATOM 1855 C GLY A 121 -11.422 0.660 -6.933 1.00 0.00 C ATOM 1856 O GLY A 121 -10.776 -0.052 -6.164 1.00 0.00 O ATOM 0 H GLY A 121 -12.114 1.548 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.897 -0.638 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.422 -0.517 -8.718 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.537 1.975 -6.776 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.899 2.672 -5.666 1.00 0.00 C ATOM 1862 C ALA A 122 -11.851 3.680 -5.031 1.00 0.00 C ATOM 1863 O ALA A 122 -12.916 3.970 -5.576 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.630 3.365 -6.138 1.00 0.00 C ATOM 0 H ALA A 122 -12.067 2.579 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.636 1.934 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.164 3.882 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.938 2.624 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.878 4.087 -6.916 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.460 4.211 -3.877 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.279 5.186 -3.168 1.00 0.00 C ATOM 1872 C ARG A 123 -11.413 6.101 -2.308 1.00 0.00 C ATOM 1873 O ARG A 123 -10.390 5.678 -1.770 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.314 4.475 -2.294 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.717 3.806 -1.066 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.798 3.237 -0.161 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.763 4.254 0.246 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.825 4.591 -0.477 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -16.057 3.994 -1.638 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -16.658 5.526 -0.039 1.00 0.00 N ATOM 0 H ARG A 123 -10.581 3.982 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.797 5.796 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.065 5.197 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.828 3.723 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.043 3.007 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.119 4.529 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.318 2.431 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.336 2.800 0.725 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.613 4.732 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.419 3.274 -1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.873 4.255 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.483 5.987 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.473 5.784 -0.595 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.830 7.356 -2.183 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.092 8.331 -1.388 1.00 0.00 C ATOM 1896 C TRP A 124 -11.809 8.617 -0.073 1.00 0.00 C ATOM 1897 O TRP A 124 -12.837 9.295 -0.052 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.908 9.628 -2.177 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.703 9.616 -3.068 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.621 9.099 -4.329 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.408 10.145 -2.764 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.352 9.274 -4.828 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.590 9.913 -3.886 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.860 10.792 -1.654 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.254 10.307 -3.928 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.534 11.181 -1.696 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.744 10.938 -2.827 1.00 0.00 C ATOM 0 H TRP A 124 -12.675 7.722 -2.622 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.112 7.911 -1.161 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.797 9.806 -2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.826 10.461 -1.479 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.434 8.622 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.030 8.977 -5.749 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.462 10.985 -0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.643 10.121 -4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.100 11.681 -0.843 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.712 11.255 -2.830 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.262 8.098 1.019 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.851 8.298 2.339 1.00 0.00 C ATOM 1920 C LEU A 125 -10.866 8.989 3.276 1.00 0.00 C ATOM 1921 O LEU A 125 -9.683 9.124 2.961 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.285 6.957 2.935 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.320 5.789 2.731 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.068 5.979 3.573 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.000 4.471 3.073 1.00 0.00 C ATOM 0 H LEU A 125 -10.411 7.535 1.018 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.726 8.938 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.441 7.091 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.249 6.686 2.504 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.027 5.763 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.392 5.138 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.570 6.904 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.343 6.031 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.299 3.650 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.322 4.487 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.867 4.331 2.428 1.00 0.00 H new ATOM 1937 N THR A 126 -11.359 9.424 4.431 1.00 0.00 N ATOM 1938 CA THR A 126 -10.523 10.099 5.414 1.00 0.00 C ATOM 1939 C THR A 126 -9.746 9.095 6.258 1.00 0.00 C ATOM 1940 O THR A 126 -9.987 7.890 6.184 1.00 0.00 O ATOM 1941 CB THR A 126 -11.361 10.995 6.346 1.00 0.00 C ATOM 1942 OG1 THR A 126 -12.027 10.194 7.328 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.388 11.788 5.552 1.00 0.00 C ATOM 0 H THR A 126 -12.335 9.320 4.708 1.00 0.00 H new ATOM 0 HA THR A 126 -9.823 10.721 4.857 1.00 0.00 H new ATOM 0 HB THR A 126 -10.688 11.694 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.868 10.625 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.968 12.414 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.877 12.419 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.055 11.101 5.032 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.814 9.598 7.061 1.00 0.00 N ATOM 1952 CA GLN A 127 -8.002 8.744 7.919 1.00 0.00 C ATOM 1953 C GLN A 127 -8.877 7.966 8.897 1.00 0.00 C ATOM 1954 O GLN A 127 -8.719 6.756 9.058 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.978 9.581 8.687 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.876 10.151 7.808 1.00 0.00 C ATOM 1957 CD GLN A 127 -6.305 11.407 7.075 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -6.681 12.403 7.693 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -6.252 11.365 5.749 1.00 0.00 N ATOM 0 H GLN A 127 -8.603 10.593 7.135 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.475 8.031 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.493 10.401 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.528 8.965 9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.004 10.374 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.570 9.398 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -5.934 10.518 5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -6.529 12.180 5.201 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.799 8.669 9.547 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.697 8.044 10.510 1.00 0.00 C ATOM 1970 C GLU A 128 -11.612 7.033 9.825 1.00 0.00 C ATOM 1971 O GLU A 128 -11.871 5.955 10.358 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.537 9.107 11.223 1.00 0.00 C ATOM 1973 CG GLU A 128 -12.459 9.878 10.292 1.00 0.00 C ATOM 1974 CD GLU A 128 -13.324 10.882 11.028 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -13.807 10.551 12.131 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -13.516 11.998 10.503 1.00 0.00 O ATOM 0 H GLU A 128 -9.943 9.671 9.424 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.089 7.518 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.135 8.627 11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.871 9.809 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.861 10.399 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.099 9.176 9.757 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.096 7.391 8.639 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.981 6.515 7.881 1.00 0.00 C ATOM 1985 C GLU A 129 -12.297 5.187 7.567 1.00 0.00 C ATOM 1986 O GLU A 129 -12.942 4.140 7.517 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.419 7.196 6.582 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.649 8.074 6.740 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.237 8.497 5.408 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -15.975 7.691 4.802 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -14.960 9.633 4.971 1.00 0.00 O ATOM 0 H GLU A 129 -11.890 8.280 8.184 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.861 6.314 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.596 7.803 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.622 6.432 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.404 7.535 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.386 8.962 7.315 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.986 5.241 7.355 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.213 4.043 7.044 1.00 0.00 C ATOM 2000 C PHE A 130 -10.277 3.041 8.192 1.00 0.00 C ATOM 2001 O PHE A 130 -10.752 1.917 8.025 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.756 4.412 6.754 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.795 3.281 6.983 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.511 2.381 5.969 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.176 3.118 8.212 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.627 1.339 6.175 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.290 2.078 8.423 1.00 0.00 C ATOM 2008 CZ PHE A 130 -6.016 1.186 7.404 1.00 0.00 C ATOM 0 H PHE A 130 -10.437 6.100 7.393 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.647 3.581 6.158 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.673 4.745 5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.470 5.254 7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.986 2.495 5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.388 3.811 9.013 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.414 0.645 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.812 1.963 9.385 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.326 0.372 7.568 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.796 3.456 9.360 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.798 2.596 10.538 1.00 0.00 C ATOM 2020 C HIS A 131 -11.030 1.695 10.550 1.00 0.00 C ATOM 2021 O HIS A 131 -10.917 0.469 10.582 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.755 3.439 11.812 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.366 3.740 12.285 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.460 2.760 12.629 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.730 4.921 12.467 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.326 3.325 13.004 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.464 4.636 12.915 1.00 0.00 N ATOM 0 H HIS A 131 -9.400 4.383 9.516 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.909 1.966 10.499 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.281 4.377 11.635 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.294 2.916 12.602 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.637 1.756 12.599 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.142 5.904 12.292 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.437 2.804 13.328 1.00 0.00 H new ATOM 2036 N THR A 132 -12.208 2.311 10.526 1.00 0.00 N ATOM 2037 CA THR A 132 -13.461 1.566 10.536 1.00 0.00 C ATOM 2038 C THR A 132 -13.592 0.695 9.293 1.00 0.00 C ATOM 2039 O THR A 132 -14.006 -0.461 9.376 1.00 0.00 O ATOM 2040 CB THR A 132 -14.674 2.511 10.618 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.696 3.381 9.482 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.633 3.337 11.895 1.00 0.00 C ATOM 0 H THR A 132 -12.320 3.324 10.499 1.00 0.00 H new ATOM 0 HA THR A 132 -13.445 0.930 11.421 1.00 0.00 H new ATOM 0 HB THR A 132 -15.579 1.903 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 132 -13.789 3.470 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.500 3.997 11.930 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.648 2.672 12.759 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.722 3.935 11.913 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.236 1.256 8.143 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.312 0.527 6.882 1.00 0.00 C ATOM 2052 C ALA A 133 -12.849 -0.916 7.052 1.00 0.00 C ATOM 2053 O ALA A 133 -11.992 -1.208 7.885 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.481 1.227 5.817 1.00 0.00 C ATOM 0 H ALA A 133 -12.892 2.212 8.058 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.354 0.511 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.547 0.672 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.859 2.238 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.441 1.273 6.139 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.424 -1.814 6.259 1.00 0.00 N ATOM 2061 CA ALA A 134 -13.068 -3.226 6.322 1.00 0.00 C ATOM 2062 C ALA A 134 -11.662 -3.464 5.782 1.00 0.00 C ATOM 2063 O ALA A 134 -11.466 -3.609 4.575 1.00 0.00 O ATOM 2064 CB ALA A 134 -14.081 -4.060 5.551 1.00 0.00 C ATOM 0 H ALA A 134 -14.138 -1.589 5.566 1.00 0.00 H new ATOM 0 HA ALA A 134 -13.082 -3.532 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.803 -5.113 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -15.071 -3.923 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.095 -3.743 4.508 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.686 -3.502 6.683 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.297 -3.723 6.297 1.00 0.00 C ATOM 2072 C VAL A 135 -8.671 -4.846 7.114 1.00 0.00 C ATOM 2073 O VAL A 135 -8.958 -4.998 8.302 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.457 -2.445 6.471 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.248 -2.470 5.547 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.307 -1.209 6.217 1.00 0.00 C ATOM 0 H VAL A 135 -10.831 -3.383 7.686 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.302 -4.005 5.244 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.098 -2.405 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.666 -1.558 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.628 -3.335 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.583 -2.534 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.696 -0.315 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.698 -1.239 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.136 -1.186 6.924 1.00 0.00 H new ATOM 2086 N SER A 136 -7.811 -5.631 6.472 1.00 0.00 N ATOM 2087 CA SER A 136 -7.146 -6.743 7.140 1.00 0.00 C ATOM 2088 C SER A 136 -6.080 -6.237 8.107 1.00 0.00 C ATOM 2089 O SER A 136 -5.521 -5.155 7.923 1.00 0.00 O ATOM 2090 CB SER A 136 -6.511 -7.679 6.109 1.00 0.00 C ATOM 2091 OG SER A 136 -7.442 -8.032 5.100 1.00 0.00 O ATOM 0 H SER A 136 -7.559 -5.517 5.490 1.00 0.00 H new ATOM 0 HA SER A 136 -7.896 -7.294 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.646 -7.194 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 136 -6.148 -8.579 6.605 1.00 0.00 H new ATOM 0 HG SER A 136 -7.012 -8.629 4.453 1.00 0.00 H new ATOM 2097 N THR A 137 -5.804 -7.027 9.140 1.00 0.00 N ATOM 2098 CA THR A 137 -4.807 -6.660 10.138 1.00 0.00 C ATOM 2099 C THR A 137 -3.555 -6.090 9.481 1.00 0.00 C ATOM 2100 O THR A 137 -3.234 -4.914 9.650 1.00 0.00 O ATOM 2101 CB THR A 137 -4.410 -7.869 11.007 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.582 -8.477 11.563 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.472 -7.445 12.127 1.00 0.00 C ATOM 0 H THR A 137 -6.257 -7.925 9.307 1.00 0.00 H new ATOM 0 HA THR A 137 -5.261 -5.899 10.772 1.00 0.00 H new ATOM 0 HB THR A 137 -3.892 -8.590 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.322 -9.246 12.113 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.205 -8.315 12.727 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.569 -7.008 11.700 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.968 -6.707 12.758 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.851 -6.930 8.729 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.637 -6.508 8.043 1.00 0.00 C ATOM 2113 C ALA A 138 -1.743 -5.060 7.578 1.00 0.00 C ATOM 2114 O ALA A 138 -1.071 -4.177 8.110 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.351 -7.424 6.862 1.00 0.00 C ATOM 0 H ALA A 138 -3.101 -7.907 8.580 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.810 -6.575 8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.441 -7.096 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -1.221 -8.446 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -2.186 -7.387 6.162 1.00 0.00 H new ATOM 2121 N MET A 139 -2.591 -4.824 6.583 1.00 0.00 N ATOM 2122 CA MET A 139 -2.785 -3.481 6.047 1.00 0.00 C ATOM 2123 C MET A 139 -3.076 -2.486 7.167 1.00 0.00 C ATOM 2124 O MET A 139 -2.523 -1.386 7.193 1.00 0.00 O ATOM 2125 CB MET A 139 -3.931 -3.475 5.033 1.00 0.00 C ATOM 2126 CG MET A 139 -3.858 -4.611 4.026 1.00 0.00 C ATOM 2127 SD MET A 139 -2.262 -4.697 3.190 1.00 0.00 S ATOM 2128 CE MET A 139 -2.042 -2.987 2.706 1.00 0.00 C ATOM 0 H MET A 139 -3.155 -5.544 6.131 1.00 0.00 H new ATOM 0 HA MET A 139 -1.865 -3.179 5.547 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.879 -3.535 5.568 1.00 0.00 H new ATOM 0 HB3 MET A 139 -3.927 -2.525 4.498 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.048 -5.556 4.535 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.646 -4.485 3.284 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.440 -2.940 1.799 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.015 -2.534 2.519 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.536 -2.445 3.505 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.947 -2.879 8.090 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.310 -2.022 9.213 1.00 0.00 C ATOM 2140 C LYS A 140 -3.084 -1.672 10.050 1.00 0.00 C ATOM 2141 O LYS A 140 -3.064 -0.657 10.745 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.359 -2.712 10.088 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.770 -2.623 9.532 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.811 -2.820 10.621 1.00 0.00 C ATOM 2145 CE LYS A 140 -9.212 -2.514 10.114 1.00 0.00 C ATOM 2146 NZ LYS A 140 -10.261 -3.101 10.993 1.00 0.00 N ATOM 0 H LYS A 140 -4.415 -3.785 8.083 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.729 -1.099 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.089 -3.762 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.341 -2.266 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.915 -1.652 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.905 -3.378 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.770 -3.847 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.580 -2.174 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.349 -1.434 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.325 -2.904 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.201 -2.870 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.146 -4.134 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.169 -2.709 11.952 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.063 -2.519 9.977 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.831 -2.299 10.725 1.00 0.00 C ATOM 2162 C LYS A 141 0.086 -1.327 9.989 1.00 0.00 C ATOM 2163 O LYS A 141 0.835 -0.572 10.611 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.105 -3.626 10.955 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.871 -4.592 11.842 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.357 -6.014 11.692 1.00 0.00 C ATOM 2167 CE LYS A 141 0.832 -6.275 12.605 1.00 0.00 C ATOM 2168 NZ LYS A 141 1.530 -7.543 12.258 1.00 0.00 N ATOM 0 H LYS A 141 -2.064 -3.365 9.407 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.094 -1.864 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.081 -4.100 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.867 -3.425 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.783 -4.280 12.883 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.930 -4.558 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.157 -6.718 11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.068 -6.190 10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.533 -5.444 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.492 -6.319 13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.334 -7.685 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.868 -8.340 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 1.877 -7.492 11.279 1.00 0.00 H new ATOM 2182 N VAL A 142 0.021 -1.349 8.662 1.00 0.00 N ATOM 2183 CA VAL A 142 0.844 -0.468 7.841 1.00 0.00 C ATOM 2184 C VAL A 142 0.418 0.987 8.001 1.00 0.00 C ATOM 2185 O VAL A 142 1.112 1.901 7.554 1.00 0.00 O ATOM 2186 CB VAL A 142 0.767 -0.854 6.352 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.540 0.143 5.502 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.292 -2.266 6.142 1.00 0.00 C ATOM 0 H VAL A 142 -0.593 -1.967 8.132 1.00 0.00 H new ATOM 0 HA VAL A 142 1.872 -0.583 8.185 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.277 -0.828 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.475 -0.146 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.115 1.138 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.585 0.152 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.231 -2.523 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.330 -2.321 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.692 -2.967 6.722 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.729 1.197 8.639 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.248 2.541 8.857 1.00 0.00 C ATOM 2200 C PHE A 143 -0.663 3.151 10.127 1.00 0.00 C ATOM 2201 O PHE A 143 0.040 4.161 10.076 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.775 2.512 8.949 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.390 3.867 9.153 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.539 4.743 8.090 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.818 4.265 10.409 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -4.104 5.990 8.274 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.385 5.512 10.600 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.527 6.376 9.532 1.00 0.00 C ATOM 0 H PHE A 143 -1.317 0.452 9.014 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.953 3.159 8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.178 2.073 8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.069 1.861 9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.209 4.447 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.708 3.594 11.248 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.215 6.662 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.717 5.810 11.584 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.968 7.351 9.679 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.959 2.532 11.265 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.464 3.014 12.548 1.00 0.00 C ATOM 2220 C ARG A 144 1.038 3.278 12.488 1.00 0.00 C ATOM 2221 O ARG A 144 1.569 4.086 13.250 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.771 2.000 13.651 1.00 0.00 C ATOM 2223 CG ARG A 144 0.298 0.931 13.811 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.229 -0.276 14.572 1.00 0.00 C ATOM 2225 NE ARG A 144 -0.241 -0.050 16.015 1.00 0.00 N ATOM 2226 CZ ARG A 144 0.843 -0.126 16.780 1.00 0.00 C ATOM 2227 NH1 ARG A 144 2.019 -0.419 16.242 1.00 0.00 N ATOM 2228 NH2 ARG A 144 0.752 0.092 18.085 1.00 0.00 N ATOM 0 H ARG A 144 -1.539 1.695 11.324 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.971 3.952 12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.888 2.529 14.597 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.725 1.519 13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.650 0.617 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.156 1.349 14.338 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.239 -0.506 14.233 1.00 0.00 H new ATOM 0 HD3 ARG A 144 0.389 -1.145 14.346 1.00 0.00 H new ATOM 0 HE ARG A 144 -1.130 0.179 16.460 1.00 0.00 H new ATOM 0 HH11 ARG A 144 2.093 -0.587 15.239 1.00 0.00 H new ATOM 0 HH12 ARG A 144 2.849 -0.477 16.832 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.151 0.318 18.503 1.00 0.00 H new ATOM 0 HH22 ARG A 144 1.585 0.033 18.671 1.00 0.00 H new ATOM 2242 N VAL A 145 1.718 2.589 11.577 1.00 0.00 N ATOM 2243 CA VAL A 145 3.158 2.747 11.417 1.00 0.00 C ATOM 2244 C VAL A 145 3.487 3.993 10.601 1.00 0.00 C ATOM 2245 O VAL A 145 4.392 4.753 10.946 1.00 0.00 O ATOM 2246 CB VAL A 145 3.786 1.519 10.731 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.273 1.739 10.500 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.546 0.267 11.559 1.00 0.00 C ATOM 0 H VAL A 145 1.294 1.916 10.939 1.00 0.00 H new ATOM 0 HA VAL A 145 3.577 2.849 12.418 1.00 0.00 H new ATOM 0 HB VAL A 145 3.309 1.382 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.700 0.861 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.417 2.612 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.770 1.902 11.457 1.00 0.00 H new ATOM 0 HG21 VAL A 145 3.996 -0.591 11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 145 3.995 0.391 12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.474 0.102 11.667 1.00 0.00 H new ATOM 2258 N TYR A 146 2.744 4.198 9.520 1.00 0.00 N ATOM 2259 CA TYR A 146 2.956 5.352 8.654 1.00 0.00 C ATOM 2260 C TYR A 146 2.726 6.654 9.414 1.00 0.00 C ATOM 2261 O TYR A 146 3.471 7.619 9.252 1.00 0.00 O ATOM 2262 CB TYR A 146 2.025 5.285 7.442 1.00 0.00 C ATOM 2263 CG TYR A 146 1.646 6.641 6.893 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.571 7.416 6.203 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.365 7.149 7.066 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.229 8.657 5.701 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.015 8.389 6.566 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.950 9.138 5.884 1.00 0.00 C ATOM 2269 OH TYR A 146 0.605 10.374 5.386 1.00 0.00 O ATOM 0 H TYR A 146 1.989 3.580 9.222 1.00 0.00 H new ATOM 0 HA TYR A 146 3.990 5.331 8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.508 4.706 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.118 4.749 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.574 7.042 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.370 6.565 7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.960 9.247 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.986 8.769 6.709 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.333 10.563 5.600 1.00 0.00 H new ATOM 2279 N GLN A 147 1.688 6.670 10.245 1.00 0.00 N ATOM 2280 CA GLN A 147 1.359 7.854 11.031 1.00 0.00 C ATOM 2281 C GLN A 147 2.603 8.421 11.708 1.00 0.00 C ATOM 2282 O GLN A 147 2.959 9.581 11.503 1.00 0.00 O ATOM 2283 CB GLN A 147 0.302 7.515 12.083 1.00 0.00 C ATOM 2284 CG GLN A 147 -0.965 6.911 11.500 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.107 6.874 12.496 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.468 5.811 13.004 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -2.683 8.035 12.782 1.00 0.00 N ATOM 0 H GLN A 147 1.062 5.878 10.391 1.00 0.00 H new ATOM 0 HA GLN A 147 0.960 8.609 10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.729 6.817 12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.044 8.421 12.631 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.269 7.488 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -0.755 5.898 11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.352 8.892 12.338 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.457 8.071 13.446 1.00 0.00 H new