USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 Single : A 13 SER OG : rot -54:sc= 0.193 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.8 USER MOD Single : A 20 SER OG : rot 111:sc= 1.13 USER MOD Single : A 22 HIS : no HD1:sc= -2.64 X(o=-2.6,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.00644) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.38! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.0253 (180deg=-0.444) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.92 K(o=-0.92,f=-0.36) USER MOD Single : A 57 TYR OH : rot -138:sc= 1.17 USER MOD Single : A 59 GLN : amide:sc= 0.253 X(o=0.25,f=-0.065) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 1.228 6.122 0.966 1.00 0.00 N ATOM 189 CA PRO A 12 0.797 4.806 0.428 1.00 0.00 C ATOM 190 C PRO A 12 0.191 3.962 1.552 1.00 0.00 C ATOM 191 O PRO A 12 -0.035 4.451 2.644 1.00 0.00 O ATOM 192 CB PRO A 12 2.091 4.183 -0.087 1.00 0.00 C ATOM 193 CG PRO A 12 3.177 4.839 0.703 1.00 0.00 C ATOM 194 CD PRO A 12 2.695 6.224 1.045 1.00 0.00 C ATOM 0 HA PRO A 12 0.037 4.882 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.094 3.103 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.217 4.361 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.393 4.271 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.101 4.883 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.021 6.525 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.082 6.965 0.345 1.00 0.00 H new ATOM 202 N SER A 13 -0.076 2.704 1.300 1.00 0.00 N ATOM 203 CA SER A 13 -0.671 1.840 2.364 1.00 0.00 C ATOM 204 C SER A 13 -0.505 0.361 2.028 1.00 0.00 C ATOM 205 O SER A 13 -1.408 -0.427 2.226 1.00 0.00 O ATOM 206 CB SER A 13 -2.150 2.219 2.397 1.00 0.00 C ATOM 207 OG SER A 13 -2.744 1.695 3.578 1.00 0.00 O ATOM 0 H SER A 13 0.092 2.240 0.407 1.00 0.00 H new ATOM 0 HA SER A 13 -0.183 1.991 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.260 3.303 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.657 1.826 1.516 1.00 0.00 H new ATOM 0 HG SER A 13 -2.567 0.733 3.634 1.00 0.00 H new ATOM 213 N ALA A 14 0.635 -0.024 1.494 1.00 0.00 N ATOM 214 CA ALA A 14 0.875 -1.458 1.110 1.00 0.00 C ATOM 215 C ALA A 14 0.013 -1.815 -0.098 1.00 0.00 C ATOM 216 O ALA A 14 0.514 -1.952 -1.200 1.00 0.00 O ATOM 217 CB ALA A 14 0.516 -2.330 2.325 1.00 0.00 C ATOM 0 H ALA A 14 1.418 0.602 1.306 1.00 0.00 H new ATOM 0 HA ALA A 14 1.916 -1.624 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.679 -3.380 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.145 -2.053 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.531 -2.177 2.586 1.00 0.00 H new ATOM 223 N PHE A 15 -1.275 -1.968 0.087 1.00 0.00 N ATOM 224 CA PHE A 15 -2.160 -2.319 -1.071 1.00 0.00 C ATOM 225 C PHE A 15 -2.046 -1.259 -2.175 1.00 0.00 C ATOM 226 O PHE A 15 -2.289 -1.537 -3.334 1.00 0.00 O ATOM 227 CB PHE A 15 -3.584 -2.349 -0.502 1.00 0.00 C ATOM 228 CG PHE A 15 -4.558 -2.740 -1.593 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.402 -3.956 -2.268 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.612 -1.882 -1.931 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.299 -4.315 -3.281 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.510 -2.240 -2.943 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.354 -3.457 -3.619 1.00 0.00 C ATOM 0 H PHE A 15 -1.751 -1.866 0.983 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.882 -3.273 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.642 -3.059 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.846 -1.371 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.589 -4.618 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.732 -0.943 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.178 -5.253 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.323 -1.578 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.046 -3.734 -4.400 1.00 0.00 H new ATOM 243 N PHE A 16 -1.680 -0.051 -1.822 1.00 0.00 N ATOM 244 CA PHE A 16 -1.555 1.022 -2.855 1.00 0.00 C ATOM 245 C PHE A 16 -0.315 0.781 -3.712 1.00 0.00 C ATOM 246 O PHE A 16 -0.309 1.085 -4.890 1.00 0.00 O ATOM 247 CB PHE A 16 -1.433 2.331 -2.075 1.00 0.00 C ATOM 248 CG PHE A 16 -1.690 3.495 -3.003 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.001 3.812 -3.382 1.00 0.00 C ATOM 250 CD2 PHE A 16 -0.619 4.255 -3.486 1.00 0.00 C ATOM 251 CE1 PHE A 16 -3.239 4.890 -4.242 1.00 0.00 C ATOM 252 CE2 PHE A 16 -0.857 5.334 -4.347 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.167 5.651 -4.725 1.00 0.00 C ATOM 0 H PHE A 16 -1.463 0.237 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.410 1.043 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.147 2.344 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.439 2.414 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.828 3.225 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.392 4.010 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.250 5.135 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.030 5.921 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.351 6.482 -5.389 1.00 0.00 H new ATOM 263 N LEU A 17 0.715 0.199 -3.148 1.00 0.00 N ATOM 264 CA LEU A 17 1.932 -0.101 -3.961 1.00 0.00 C ATOM 265 C LEU A 17 1.539 -1.161 -4.989 1.00 0.00 C ATOM 266 O LEU A 17 1.440 -0.884 -6.166 1.00 0.00 O ATOM 267 CB LEU A 17 2.965 -0.640 -2.973 1.00 0.00 C ATOM 268 CG LEU A 17 3.593 0.524 -2.204 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.635 0.988 -1.106 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.906 0.063 -1.569 1.00 0.00 C ATOM 0 H LEU A 17 0.765 -0.079 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 17 2.336 0.762 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.492 -1.335 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.737 -1.197 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 17 3.787 1.349 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.083 1.817 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.697 1.315 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.441 0.163 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.355 0.891 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.709 -0.762 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.591 -0.269 -2.349 1.00 0.00 H new ATOM 282 N PHE A 18 1.316 -2.375 -4.522 1.00 0.00 N ATOM 283 CA PHE A 18 0.905 -3.517 -5.418 1.00 0.00 C ATOM 284 C PHE A 18 -0.033 -3.024 -6.544 1.00 0.00 C ATOM 285 O PHE A 18 0.252 -3.201 -7.713 1.00 0.00 O ATOM 286 CB PHE A 18 0.182 -4.500 -4.484 1.00 0.00 C ATOM 287 CG PHE A 18 -0.384 -5.661 -5.271 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.433 -6.745 -5.614 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.730 -5.652 -5.655 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.096 -7.819 -6.340 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.260 -6.725 -6.381 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.443 -7.809 -6.724 1.00 0.00 C ATOM 0 H PHE A 18 1.403 -2.627 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 18 1.756 -3.978 -5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.875 -4.869 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.621 -3.985 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.472 -6.753 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.361 -4.816 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.535 -8.655 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.299 -6.717 -6.676 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.851 -8.637 -7.284 1.00 0.00 H new ATOM 302 N CYS A 19 -1.144 -2.412 -6.203 1.00 0.00 N ATOM 303 CA CYS A 19 -2.074 -1.918 -7.264 1.00 0.00 C ATOM 304 C CYS A 19 -1.384 -0.853 -8.126 1.00 0.00 C ATOM 305 O CYS A 19 -1.479 -0.868 -9.339 1.00 0.00 O ATOM 306 CB CYS A 19 -3.265 -1.315 -6.513 1.00 0.00 C ATOM 307 SG CYS A 19 -4.522 -0.763 -7.696 1.00 0.00 S ATOM 0 H CYS A 19 -1.443 -2.235 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.385 -2.717 -7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.691 -2.054 -5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.934 -0.475 -5.902 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.530 -0.254 -7.052 1.00 0.00 H new ATOM 313 N SER A 20 -0.701 0.075 -7.504 1.00 0.00 N ATOM 314 CA SER A 20 -0.010 1.157 -8.280 1.00 0.00 C ATOM 315 C SER A 20 0.943 0.562 -9.324 1.00 0.00 C ATOM 316 O SER A 20 1.136 1.131 -10.383 1.00 0.00 O ATOM 317 CB SER A 20 0.774 1.967 -7.248 1.00 0.00 C ATOM 318 OG SER A 20 -0.105 2.876 -6.598 1.00 0.00 O ATOM 0 H SER A 20 -0.590 0.132 -6.492 1.00 0.00 H new ATOM 0 HA SER A 20 -0.726 1.773 -8.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.232 1.300 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.584 2.511 -7.734 1.00 0.00 H new ATOM 0 HG SER A 20 -0.225 2.604 -5.664 1.00 0.00 H new ATOM 324 N GLU A 21 1.550 -0.565 -9.034 1.00 0.00 N ATOM 325 CA GLU A 21 2.499 -1.170 -10.017 1.00 0.00 C ATOM 326 C GLU A 21 1.775 -2.119 -10.982 1.00 0.00 C ATOM 327 O GLU A 21 2.214 -2.307 -12.102 1.00 0.00 O ATOM 328 CB GLU A 21 3.547 -1.917 -9.181 1.00 0.00 C ATOM 329 CG GLU A 21 2.884 -3.021 -8.356 1.00 0.00 C ATOM 330 CD GLU A 21 3.951 -4.012 -7.882 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.059 -3.577 -7.612 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.642 -5.189 -7.797 1.00 0.00 O ATOM 0 H GLU A 21 1.429 -1.087 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 21 2.961 -0.407 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.304 -2.349 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.059 -1.218 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.367 -2.589 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.133 -3.537 -8.955 1.00 0.00 H new ATOM 339 N HIS A 22 0.676 -2.717 -10.577 1.00 0.00 N ATOM 340 CA HIS A 22 -0.054 -3.646 -11.499 1.00 0.00 C ATOM 341 C HIS A 22 -1.253 -2.938 -12.147 1.00 0.00 C ATOM 342 O HIS A 22 -2.161 -3.580 -12.642 1.00 0.00 O ATOM 343 CB HIS A 22 -0.554 -4.782 -10.606 1.00 0.00 C ATOM 344 CG HIS A 22 0.591 -5.676 -10.220 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.248 -6.478 -11.140 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.194 -5.918 -9.012 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.198 -7.160 -10.475 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.209 -6.855 -9.175 1.00 0.00 N ATOM 0 H HIS A 22 0.257 -2.602 -9.654 1.00 0.00 H new ATOM 0 HA HIS A 22 0.590 -3.997 -12.306 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.024 -4.372 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.316 -5.359 -11.130 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.922 -5.452 -8.077 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.870 -7.868 -10.937 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.829 -7.229 -8.456 1.00 0.00 H new ATOM 356 N ARG A 23 -1.269 -1.628 -12.141 1.00 0.00 N ATOM 357 CA ARG A 23 -2.414 -0.887 -12.750 1.00 0.00 C ATOM 358 C ARG A 23 -2.232 -0.697 -14.271 1.00 0.00 C ATOM 359 O ARG A 23 -3.175 -0.895 -15.012 1.00 0.00 O ATOM 360 CB ARG A 23 -2.459 0.460 -12.022 1.00 0.00 C ATOM 361 CG ARG A 23 -3.676 1.256 -12.499 1.00 0.00 C ATOM 362 CD ARG A 23 -3.739 2.588 -11.750 1.00 0.00 C ATOM 363 NE ARG A 23 -4.130 2.230 -10.357 1.00 0.00 N ATOM 364 CZ ARG A 23 -4.672 3.128 -9.581 1.00 0.00 C ATOM 365 NH1 ARG A 23 -5.845 3.619 -9.872 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.040 3.535 -8.514 1.00 0.00 N ATOM 0 H ARG A 23 -0.538 -1.040 -11.740 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.347 -1.439 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.514 0.302 -10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.545 1.021 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.610 1.433 -13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.588 0.685 -12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.776 3.098 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.466 3.262 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.974 1.283 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.338 3.301 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.269 4.321 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.123 3.151 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.463 4.237 -7.907 1.00 0.00 H new ATOM 380 N PRO A 24 -1.042 -0.319 -14.713 1.00 0.00 N ATOM 381 CA PRO A 24 -0.827 -0.125 -16.170 1.00 0.00 C ATOM 382 C PRO A 24 -0.696 -1.474 -16.895 1.00 0.00 C ATOM 383 O PRO A 24 -0.672 -1.525 -18.111 1.00 0.00 O ATOM 384 CB PRO A 24 0.478 0.659 -16.246 1.00 0.00 C ATOM 385 CG PRO A 24 1.211 0.330 -14.984 1.00 0.00 C ATOM 386 CD PRO A 24 0.186 -0.043 -13.943 1.00 0.00 C ATOM 0 HA PRO A 24 -1.659 0.391 -16.650 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.058 0.373 -17.124 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.290 1.730 -16.324 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.906 -0.493 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.801 1.184 -14.651 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.501 -0.916 -13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.033 0.766 -13.229 1.00 0.00 H new ATOM 394 N LYS A 25 -0.616 -2.564 -16.166 1.00 0.00 N ATOM 395 CA LYS A 25 -0.493 -3.899 -16.823 1.00 0.00 C ATOM 396 C LYS A 25 -1.882 -4.435 -17.178 1.00 0.00 C ATOM 397 O LYS A 25 -2.064 -5.097 -18.183 1.00 0.00 O ATOM 398 CB LYS A 25 0.177 -4.794 -15.779 1.00 0.00 C ATOM 399 CG LYS A 25 0.518 -6.146 -16.408 1.00 0.00 C ATOM 400 CD LYS A 25 1.618 -6.827 -15.591 1.00 0.00 C ATOM 401 CE LYS A 25 1.641 -8.323 -15.913 1.00 0.00 C ATOM 402 NZ LYS A 25 0.630 -8.928 -15.002 1.00 0.00 N ATOM 0 H LYS A 25 -0.631 -2.583 -15.146 1.00 0.00 H new ATOM 0 HA LYS A 25 0.081 -3.856 -17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.082 -4.317 -15.403 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.487 -4.935 -14.926 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.369 -6.778 -16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.848 -6.007 -17.437 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.585 -6.380 -15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.441 -6.676 -14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.390 -8.506 -16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.630 -8.748 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.301 -9.831 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.059 -9.096 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.177 -8.280 -14.900 1.00 0.00 H new ATOM 416 N ILE A 26 -2.861 -4.147 -16.359 1.00 0.00 N ATOM 417 CA ILE A 26 -4.249 -4.630 -16.640 1.00 0.00 C ATOM 418 C ILE A 26 -4.887 -3.805 -17.768 1.00 0.00 C ATOM 419 O ILE A 26 -5.866 -4.216 -18.359 1.00 0.00 O ATOM 420 CB ILE A 26 -5.021 -4.431 -15.326 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.345 -5.223 -14.193 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.466 -4.914 -15.496 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.306 -6.718 -14.534 1.00 0.00 C ATOM 0 H ILE A 26 -2.760 -3.597 -15.506 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.260 -5.671 -16.964 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.020 -3.371 -15.072 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.332 -4.853 -14.036 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.888 -5.070 -13.260 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.010 -4.771 -14.562 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.950 -4.343 -16.288 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.468 -5.972 -15.758 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.825 -7.264 -13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.323 -7.087 -14.667 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.743 -6.866 -15.455 1.00 0.00 H new ATOM 435 N LYS A 27 -4.342 -2.651 -18.072 1.00 0.00 N ATOM 436 CA LYS A 27 -4.923 -1.806 -19.161 1.00 0.00 C ATOM 437 C LYS A 27 -4.512 -2.335 -20.542 1.00 0.00 C ATOM 438 O LYS A 27 -5.127 -2.011 -21.540 1.00 0.00 O ATOM 439 CB LYS A 27 -4.351 -0.407 -18.926 1.00 0.00 C ATOM 440 CG LYS A 27 -5.122 0.269 -17.790 1.00 0.00 C ATOM 441 CD LYS A 27 -4.946 1.786 -17.883 1.00 0.00 C ATOM 442 CE LYS A 27 -5.972 2.475 -16.981 1.00 0.00 C ATOM 443 NZ LYS A 27 -6.068 3.867 -17.501 1.00 0.00 N ATOM 0 H LYS A 27 -3.520 -2.259 -17.613 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.013 -1.811 -19.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.292 -0.472 -18.675 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.427 0.187 -19.837 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.179 0.011 -17.850 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.760 -0.091 -16.827 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.936 2.065 -17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.074 2.115 -18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.937 1.970 -17.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.652 2.464 -15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.754 4.403 -16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.136 4.325 -17.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.381 3.846 -18.493 1.00 0.00 H new ATOM 457 N SER A 28 -3.483 -3.147 -20.609 1.00 0.00 N ATOM 458 CA SER A 28 -3.043 -3.694 -21.929 1.00 0.00 C ATOM 459 C SER A 28 -4.011 -4.785 -22.396 1.00 0.00 C ATOM 460 O SER A 28 -4.372 -4.851 -23.556 1.00 0.00 O ATOM 461 CB SER A 28 -1.654 -4.282 -21.679 1.00 0.00 C ATOM 462 OG SER A 28 -1.098 -4.717 -22.913 1.00 0.00 O ATOM 0 H SER A 28 -2.931 -3.453 -19.808 1.00 0.00 H new ATOM 0 HA SER A 28 -3.024 -2.929 -22.705 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.008 -3.534 -21.219 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.720 -5.118 -20.982 1.00 0.00 H new ATOM 0 HG SER A 28 -0.207 -5.093 -22.756 1.00 0.00 H new ATOM 468 N GLU A 29 -4.431 -5.640 -21.498 1.00 0.00 N ATOM 469 CA GLU A 29 -5.377 -6.732 -21.877 1.00 0.00 C ATOM 470 C GLU A 29 -6.837 -6.319 -21.617 1.00 0.00 C ATOM 471 O GLU A 29 -7.748 -7.095 -21.832 1.00 0.00 O ATOM 472 CB GLU A 29 -4.992 -7.913 -20.985 1.00 0.00 C ATOM 473 CG GLU A 29 -3.759 -8.609 -21.564 1.00 0.00 C ATOM 474 CD GLU A 29 -3.754 -10.078 -21.136 1.00 0.00 C ATOM 475 OE1 GLU A 29 -4.543 -10.835 -21.678 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.963 -10.421 -20.274 1.00 0.00 O ATOM 0 H GLU A 29 -4.158 -5.628 -20.515 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.310 -6.972 -22.938 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.785 -7.566 -19.973 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.822 -8.617 -20.917 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.764 -8.536 -22.652 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.852 -8.115 -21.216 1.00 0.00 H new ATOM 483 N HIS A 30 -7.068 -5.105 -21.167 1.00 0.00 N ATOM 484 CA HIS A 30 -8.470 -4.654 -20.907 1.00 0.00 C ATOM 485 C HIS A 30 -8.599 -3.151 -21.194 1.00 0.00 C ATOM 486 O HIS A 30 -8.522 -2.345 -20.287 1.00 0.00 O ATOM 487 CB HIS A 30 -8.734 -4.937 -19.425 1.00 0.00 C ATOM 488 CG HIS A 30 -8.592 -6.408 -19.150 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.676 -7.271 -19.157 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.500 -7.180 -18.847 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.216 -8.501 -18.866 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.895 -8.503 -18.668 1.00 0.00 N ATOM 0 H HIS A 30 -6.347 -4.411 -20.970 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.186 -5.172 -21.545 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.034 -4.374 -18.808 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.736 -4.603 -19.155 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.487 -6.817 -18.760 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.839 -9.381 -18.800 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.304 -9.301 -18.436 1.00 0.00 H new ATOM 500 N PRO A 31 -8.793 -2.812 -22.449 1.00 0.00 N ATOM 501 CA PRO A 31 -8.935 -1.383 -22.830 1.00 0.00 C ATOM 502 C PRO A 31 -10.237 -0.811 -22.265 1.00 0.00 C ATOM 503 O PRO A 31 -11.315 -1.112 -22.741 1.00 0.00 O ATOM 504 CB PRO A 31 -8.967 -1.419 -24.358 1.00 0.00 C ATOM 505 CG PRO A 31 -9.441 -2.795 -24.694 1.00 0.00 C ATOM 506 CD PRO A 31 -8.904 -3.701 -23.618 1.00 0.00 C ATOM 0 HA PRO A 31 -8.134 -0.752 -22.444 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.639 -0.660 -24.758 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.981 -1.226 -24.780 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.530 -2.834 -24.728 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.081 -3.101 -25.676 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.576 -4.537 -23.425 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.938 -4.125 -23.894 1.00 0.00 H new ATOM 514 N GLY A 32 -10.141 0.004 -21.245 1.00 0.00 N ATOM 515 CA GLY A 32 -11.368 0.595 -20.634 1.00 0.00 C ATOM 516 C GLY A 32 -11.548 0.074 -19.201 1.00 0.00 C ATOM 517 O GLY A 32 -12.326 0.614 -18.438 1.00 0.00 O ATOM 0 H GLY A 32 -9.263 0.286 -20.809 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.292 1.682 -20.627 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.241 0.340 -21.234 1.00 0.00 H new ATOM 521 N LEU A 33 -10.851 -0.984 -18.835 1.00 0.00 N ATOM 522 CA LEU A 33 -10.983 -1.569 -17.454 1.00 0.00 C ATOM 523 C LEU A 33 -10.997 -0.488 -16.364 1.00 0.00 C ATOM 524 O LEU A 33 -10.140 0.373 -16.308 1.00 0.00 O ATOM 525 CB LEU A 33 -9.754 -2.475 -17.298 1.00 0.00 C ATOM 526 CG LEU A 33 -10.097 -3.709 -16.449 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.535 -3.267 -15.053 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.227 -4.513 -17.113 1.00 0.00 C ATOM 0 H LEU A 33 -10.190 -1.471 -19.440 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.924 -2.107 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.400 -2.789 -18.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.942 -1.919 -16.829 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.212 -4.340 -16.370 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.778 -4.144 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.726 -2.714 -14.576 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.414 -2.628 -15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.461 -5.385 -16.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.114 -3.886 -17.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.908 -4.839 -18.103 1.00 0.00 H new ATOM 540 N SER A 34 -11.987 -0.535 -15.512 1.00 0.00 N ATOM 541 CA SER A 34 -12.109 0.478 -14.423 1.00 0.00 C ATOM 542 C SER A 34 -11.709 -0.118 -13.072 1.00 0.00 C ATOM 543 O SER A 34 -11.172 -1.206 -12.994 1.00 0.00 O ATOM 544 CB SER A 34 -13.588 0.842 -14.412 1.00 0.00 C ATOM 545 OG SER A 34 -14.363 -0.351 -14.392 1.00 0.00 O ATOM 0 H SER A 34 -12.724 -1.240 -15.525 1.00 0.00 H new ATOM 0 HA SER A 34 -11.459 1.337 -14.589 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.818 1.454 -13.540 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.835 1.436 -15.292 1.00 0.00 H new ATOM 0 HG SER A 34 -15.316 -0.122 -14.383 1.00 0.00 H new ATOM 551 N ILE A 35 -11.984 0.594 -12.008 1.00 0.00 N ATOM 552 CA ILE A 35 -11.641 0.085 -10.647 1.00 0.00 C ATOM 553 C ILE A 35 -12.680 -0.950 -10.180 1.00 0.00 C ATOM 554 O ILE A 35 -12.555 -1.514 -9.108 1.00 0.00 O ATOM 555 CB ILE A 35 -11.664 1.322 -9.737 1.00 0.00 C ATOM 556 CG1 ILE A 35 -10.656 2.369 -10.245 1.00 0.00 C ATOM 557 CG2 ILE A 35 -11.303 0.918 -8.303 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.237 1.785 -10.255 1.00 0.00 C ATOM 0 H ILE A 35 -12.433 1.510 -12.025 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.672 -0.414 -10.631 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.665 1.752 -9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.931 2.690 -11.250 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.688 3.253 -9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.321 1.799 -7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.026 0.188 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.305 0.479 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.536 2.538 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.959 1.487 -9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.206 0.915 -10.911 1.00 0.00 H new ATOM 570 N GLY A 36 -13.697 -1.214 -10.974 1.00 0.00 N ATOM 571 CA GLY A 36 -14.727 -2.219 -10.571 1.00 0.00 C ATOM 572 C GLY A 36 -14.335 -3.611 -11.089 1.00 0.00 C ATOM 573 O GLY A 36 -15.148 -4.517 -11.120 1.00 0.00 O ATOM 0 H GLY A 36 -13.854 -0.775 -11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.822 -2.239 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.700 -1.934 -10.970 1.00 0.00 H new ATOM 577 N ASP A 37 -13.096 -3.794 -11.484 1.00 0.00 N ATOM 578 CA ASP A 37 -12.648 -5.126 -11.986 1.00 0.00 C ATOM 579 C ASP A 37 -11.170 -5.332 -11.648 1.00 0.00 C ATOM 580 O ASP A 37 -10.795 -6.326 -11.056 1.00 0.00 O ATOM 581 CB ASP A 37 -12.854 -5.073 -13.499 1.00 0.00 C ATOM 582 CG ASP A 37 -14.331 -5.309 -13.823 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.827 -6.373 -13.491 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.939 -4.423 -14.399 1.00 0.00 O ATOM 0 H ASP A 37 -12.375 -3.072 -11.479 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.200 -5.951 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.536 -4.105 -13.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.239 -5.829 -13.987 1.00 0.00 H new ATOM 589 N THR A 38 -10.332 -4.394 -12.017 1.00 0.00 N ATOM 590 CA THR A 38 -8.873 -4.528 -11.713 1.00 0.00 C ATOM 591 C THR A 38 -8.672 -4.558 -10.190 1.00 0.00 C ATOM 592 O THR A 38 -7.832 -5.276 -9.685 1.00 0.00 O ATOM 593 CB THR A 38 -8.215 -3.292 -12.368 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.139 -3.502 -13.770 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.796 -3.061 -11.828 1.00 0.00 C ATOM 0 H THR A 38 -10.594 -3.543 -12.515 1.00 0.00 H new ATOM 0 HA THR A 38 -8.431 -5.447 -12.098 1.00 0.00 H new ATOM 0 HB THR A 38 -8.821 -2.417 -12.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.724 -2.723 -14.196 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.362 -2.185 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.838 -2.900 -10.751 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.179 -3.934 -12.040 1.00 0.00 H new ATOM 603 N ALA A 39 -9.449 -3.795 -9.463 1.00 0.00 N ATOM 604 CA ALA A 39 -9.315 -3.789 -7.973 1.00 0.00 C ATOM 605 C ALA A 39 -9.718 -5.156 -7.417 1.00 0.00 C ATOM 606 O ALA A 39 -9.210 -5.599 -6.404 1.00 0.00 O ATOM 607 CB ALA A 39 -10.276 -2.704 -7.483 1.00 0.00 C ATOM 0 H ALA A 39 -10.170 -3.177 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.293 -3.593 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.231 -2.642 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.990 -1.744 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.292 -2.952 -7.791 1.00 0.00 H new ATOM 613 N LYS A 40 -10.624 -5.826 -8.083 1.00 0.00 N ATOM 614 CA LYS A 40 -11.064 -7.173 -7.612 1.00 0.00 C ATOM 615 C LYS A 40 -10.031 -8.225 -8.022 1.00 0.00 C ATOM 616 O LYS A 40 -9.836 -9.213 -7.339 1.00 0.00 O ATOM 617 CB LYS A 40 -12.400 -7.424 -8.313 1.00 0.00 C ATOM 618 CG LYS A 40 -13.519 -6.715 -7.547 1.00 0.00 C ATOM 619 CD LYS A 40 -14.870 -7.304 -7.953 1.00 0.00 C ATOM 620 CE LYS A 40 -15.936 -6.888 -6.936 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.026 -7.890 -7.090 1.00 0.00 N ATOM 0 H LYS A 40 -11.079 -5.497 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.164 -7.226 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.359 -7.058 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.601 -8.494 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.368 -6.830 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.498 -5.646 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.146 -6.955 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.804 -8.391 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.537 -6.892 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.297 -5.879 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.795 -7.672 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.391 -7.859 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.655 -8.841 -6.890 1.00 0.00 H new ATOM 635 N LYS A 41 -9.368 -8.014 -9.131 1.00 0.00 N ATOM 636 CA LYS A 41 -8.338 -8.993 -9.593 1.00 0.00 C ATOM 637 C LYS A 41 -6.993 -8.725 -8.901 1.00 0.00 C ATOM 638 O LYS A 41 -6.146 -9.594 -8.819 1.00 0.00 O ATOM 639 CB LYS A 41 -8.222 -8.762 -11.101 1.00 0.00 C ATOM 640 CG LYS A 41 -7.546 -9.969 -11.752 1.00 0.00 C ATOM 641 CD LYS A 41 -7.675 -9.868 -13.273 1.00 0.00 C ATOM 642 CE LYS A 41 -7.043 -11.102 -13.924 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.359 -10.976 -15.374 1.00 0.00 N ATOM 0 H LYS A 41 -9.496 -7.204 -9.738 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.613 -10.021 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.211 -8.609 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.645 -7.859 -11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.495 -10.007 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.006 -10.892 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.725 -9.793 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.183 -8.963 -13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.966 -11.130 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.454 -12.022 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.958 -11.786 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.391 -10.959 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.949 -10.095 -15.743 1.00 0.00 H new ATOM 657 N LEU A 42 -6.796 -7.529 -8.401 1.00 0.00 N ATOM 658 CA LEU A 42 -5.514 -7.197 -7.710 1.00 0.00 C ATOM 659 C LEU A 42 -5.587 -7.618 -6.242 1.00 0.00 C ATOM 660 O LEU A 42 -4.763 -8.371 -5.763 1.00 0.00 O ATOM 661 CB LEU A 42 -5.394 -5.678 -7.818 1.00 0.00 C ATOM 662 CG LEU A 42 -4.438 -5.309 -8.954 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.992 -5.803 -10.292 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.295 -3.793 -8.998 1.00 0.00 C ATOM 0 H LEU A 42 -7.472 -6.766 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.659 -7.710 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.375 -5.239 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.030 -5.266 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.469 -5.777 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.303 -5.534 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.107 -6.886 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.961 -5.341 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.616 -3.515 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.271 -3.340 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.896 -3.437 -8.048 1.00 0.00 H new ATOM 676 N GLY A 43 -6.576 -7.136 -5.524 1.00 0.00 N ATOM 677 CA GLY A 43 -6.718 -7.504 -4.080 1.00 0.00 C ATOM 678 C GLY A 43 -6.730 -9.029 -3.938 1.00 0.00 C ATOM 679 O GLY A 43 -6.295 -9.572 -2.939 1.00 0.00 O ATOM 0 H GLY A 43 -7.292 -6.502 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.895 -7.081 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.639 -7.084 -3.676 1.00 0.00 H new ATOM 683 N GLU A 44 -7.200 -9.720 -4.947 1.00 0.00 N ATOM 684 CA GLU A 44 -7.212 -11.209 -4.892 1.00 0.00 C ATOM 685 C GLU A 44 -5.774 -11.710 -5.008 1.00 0.00 C ATOM 686 O GLU A 44 -5.388 -12.679 -4.382 1.00 0.00 O ATOM 687 CB GLU A 44 -8.042 -11.657 -6.097 1.00 0.00 C ATOM 688 CG GLU A 44 -8.189 -13.181 -6.078 1.00 0.00 C ATOM 689 CD GLU A 44 -9.342 -13.570 -5.152 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.477 -13.519 -5.598 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.071 -13.915 -4.014 1.00 0.00 O ATOM 0 H GLU A 44 -7.575 -9.315 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.632 -11.599 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.025 -11.186 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.561 -11.339 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.377 -13.552 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.262 -13.642 -5.736 1.00 0.00 H new ATOM 698 N MET A 45 -4.975 -11.036 -5.800 1.00 0.00 N ATOM 699 CA MET A 45 -3.550 -11.442 -5.960 1.00 0.00 C ATOM 700 C MET A 45 -2.728 -10.888 -4.794 1.00 0.00 C ATOM 701 O MET A 45 -1.904 -11.578 -4.228 1.00 0.00 O ATOM 702 CB MET A 45 -3.100 -10.819 -7.281 1.00 0.00 C ATOM 703 CG MET A 45 -3.400 -11.783 -8.431 1.00 0.00 C ATOM 704 SD MET A 45 -3.096 -10.954 -10.010 1.00 0.00 S ATOM 705 CE MET A 45 -1.288 -10.968 -9.929 1.00 0.00 C ATOM 0 H MET A 45 -5.253 -10.219 -6.343 1.00 0.00 H new ATOM 0 HA MET A 45 -3.421 -12.524 -5.965 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.616 -9.872 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.033 -10.599 -7.246 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.773 -12.671 -8.348 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.436 -12.118 -8.378 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.878 -10.800 -10.925 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.948 -10.179 -9.258 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.948 -11.934 -9.555 1.00 0.00 H new ATOM 715 N TRP A 46 -2.972 -9.653 -4.410 1.00 0.00 N ATOM 716 CA TRP A 46 -2.225 -9.040 -3.255 1.00 0.00 C ATOM 717 C TRP A 46 -2.300 -9.969 -2.034 1.00 0.00 C ATOM 718 O TRP A 46 -1.293 -10.303 -1.437 1.00 0.00 O ATOM 719 CB TRP A 46 -2.943 -7.704 -2.991 1.00 0.00 C ATOM 720 CG TRP A 46 -2.405 -7.056 -1.754 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.136 -6.706 -0.672 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.034 -6.679 -1.463 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.294 -6.135 0.268 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.988 -6.097 -0.177 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.162 -6.787 -2.189 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.209 -5.636 0.369 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.367 -6.325 -1.644 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.389 -5.751 -0.370 1.00 0.00 C ATOM 0 H TRP A 46 -3.659 -9.040 -4.848 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.166 -8.889 -3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.811 -7.039 -3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.014 -7.875 -2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.201 -6.848 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.601 -5.786 1.176 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.153 -7.229 -3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.224 -5.194 1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.282 -6.413 -2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.321 -5.395 0.044 1.00 0.00 H new ATOM 739 N SER A 47 -3.484 -10.399 -1.677 1.00 0.00 N ATOM 740 CA SER A 47 -3.629 -11.324 -0.511 1.00 0.00 C ATOM 741 C SER A 47 -2.921 -12.658 -0.791 1.00 0.00 C ATOM 742 O SER A 47 -2.738 -13.465 0.100 1.00 0.00 O ATOM 743 CB SER A 47 -5.136 -11.544 -0.356 1.00 0.00 C ATOM 744 OG SER A 47 -5.413 -11.977 0.969 1.00 0.00 O ATOM 0 H SER A 47 -4.357 -10.150 -2.142 1.00 0.00 H new ATOM 0 HA SER A 47 -3.181 -10.911 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.674 -10.620 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.482 -12.287 -1.074 1.00 0.00 H new ATOM 0 HG SER A 47 -6.377 -12.117 1.072 1.00 0.00 H new ATOM 750 N GLU A 48 -2.506 -12.893 -2.018 1.00 0.00 N ATOM 751 CA GLU A 48 -1.800 -14.156 -2.352 1.00 0.00 C ATOM 752 C GLU A 48 -0.306 -13.895 -2.546 1.00 0.00 C ATOM 753 O GLU A 48 0.482 -14.821 -2.588 1.00 0.00 O ATOM 754 CB GLU A 48 -2.438 -14.621 -3.660 1.00 0.00 C ATOM 755 CG GLU A 48 -3.644 -15.512 -3.355 1.00 0.00 C ATOM 756 CD GLU A 48 -3.160 -16.896 -2.921 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.817 -17.681 -3.789 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.139 -17.147 -1.727 1.00 0.00 O ATOM 0 H GLU A 48 -2.632 -12.252 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.888 -14.902 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.750 -13.760 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.709 -15.170 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.251 -15.064 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.279 -15.597 -4.237 1.00 0.00 H new ATOM 765 N GLN A 49 0.106 -12.646 -2.658 1.00 0.00 N ATOM 766 CA GLN A 49 1.561 -12.359 -2.839 1.00 0.00 C ATOM 767 C GLN A 49 2.344 -12.893 -1.642 1.00 0.00 C ATOM 768 O GLN A 49 1.889 -12.835 -0.515 1.00 0.00 O ATOM 769 CB GLN A 49 1.687 -10.827 -2.899 1.00 0.00 C ATOM 770 CG GLN A 49 1.028 -10.275 -4.169 1.00 0.00 C ATOM 771 CD GLN A 49 1.657 -10.906 -5.415 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.855 -11.102 -5.474 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.891 -11.233 -6.420 1.00 0.00 N ATOM 0 H GLN A 49 -0.500 -11.826 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 49 1.955 -12.831 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.219 -10.385 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.739 -10.543 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.042 -10.481 -4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.143 -9.192 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.114 -11.068 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.298 -11.653 -7.256 1.00 0.00 H new ATOM 782 N SER A 50 3.523 -13.387 -1.878 1.00 0.00 N ATOM 783 CA SER A 50 4.363 -13.900 -0.761 1.00 0.00 C ATOM 784 C SER A 50 5.234 -12.755 -0.234 1.00 0.00 C ATOM 785 O SER A 50 4.844 -11.604 -0.296 1.00 0.00 O ATOM 786 CB SER A 50 5.215 -15.007 -1.384 1.00 0.00 C ATOM 787 OG SER A 50 6.170 -14.426 -2.263 1.00 0.00 O ATOM 0 H SER A 50 3.946 -13.459 -2.803 1.00 0.00 H new ATOM 0 HA SER A 50 3.783 -14.280 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.721 -15.576 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.581 -15.707 -1.928 1.00 0.00 H new ATOM 0 HG SER A 50 6.719 -15.133 -2.663 1.00 0.00 H new ATOM 793 N ALA A 51 6.404 -13.049 0.275 1.00 0.00 N ATOM 794 CA ALA A 51 7.285 -11.958 0.790 1.00 0.00 C ATOM 795 C ALA A 51 7.997 -11.237 -0.367 1.00 0.00 C ATOM 796 O ALA A 51 8.734 -10.294 -0.150 1.00 0.00 O ATOM 797 CB ALA A 51 8.301 -12.658 1.694 1.00 0.00 C ATOM 0 H ALA A 51 6.785 -13.992 0.356 1.00 0.00 H new ATOM 0 HA ALA A 51 6.717 -11.197 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.986 -11.920 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.778 -13.167 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.865 -13.387 1.112 1.00 0.00 H new ATOM 803 N LYS A 52 7.785 -11.661 -1.594 1.00 0.00 N ATOM 804 CA LYS A 52 8.451 -10.982 -2.747 1.00 0.00 C ATOM 805 C LYS A 52 7.662 -9.728 -3.132 1.00 0.00 C ATOM 806 O LYS A 52 8.226 -8.683 -3.397 1.00 0.00 O ATOM 807 CB LYS A 52 8.425 -12.006 -3.884 1.00 0.00 C ATOM 808 CG LYS A 52 9.443 -11.606 -4.955 1.00 0.00 C ATOM 809 CD LYS A 52 10.851 -11.984 -4.490 1.00 0.00 C ATOM 810 CE LYS A 52 11.795 -12.016 -5.694 1.00 0.00 C ATOM 811 NZ LYS A 52 13.165 -12.000 -5.109 1.00 0.00 N ATOM 0 H LYS A 52 7.181 -12.445 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 52 9.468 -10.666 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.658 -12.999 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.426 -12.058 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.213 -12.107 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.386 -10.534 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.208 -11.264 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.835 -12.958 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.634 -12.909 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.634 -11.157 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.869 -12.020 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.291 -11.136 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.292 -12.833 -4.499 1.00 0.00 H new ATOM 825 N ASP A 53 6.357 -9.827 -3.150 1.00 0.00 N ATOM 826 CA ASP A 53 5.509 -8.647 -3.500 1.00 0.00 C ATOM 827 C ASP A 53 4.542 -8.359 -2.347 1.00 0.00 C ATOM 828 O ASP A 53 3.339 -8.336 -2.519 1.00 0.00 O ATOM 829 CB ASP A 53 4.745 -9.059 -4.765 1.00 0.00 C ATOM 830 CG ASP A 53 5.041 -8.069 -5.897 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.139 -8.115 -6.425 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.165 -7.283 -6.213 1.00 0.00 O ATOM 0 H ASP A 53 5.839 -10.680 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 53 6.093 -7.742 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.036 -10.066 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.674 -9.084 -4.562 1.00 0.00 H new ATOM 837 N LYS A 54 5.073 -8.145 -1.169 1.00 0.00 N ATOM 838 CA LYS A 54 4.202 -7.861 0.005 1.00 0.00 C ATOM 839 C LYS A 54 5.027 -7.432 1.226 1.00 0.00 C ATOM 840 O LYS A 54 4.598 -6.601 2.004 1.00 0.00 O ATOM 841 CB LYS A 54 3.494 -9.185 0.278 1.00 0.00 C ATOM 842 CG LYS A 54 2.030 -8.916 0.634 1.00 0.00 C ATOM 843 CD LYS A 54 1.425 -10.128 1.339 1.00 0.00 C ATOM 844 CE LYS A 54 2.134 -10.350 2.679 1.00 0.00 C ATOM 845 NZ LYS A 54 1.112 -10.995 3.550 1.00 0.00 N ATOM 0 H LYS A 54 6.074 -8.155 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 54 3.510 -7.042 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.554 -9.829 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.987 -9.712 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.960 -8.040 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.464 -8.693 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.359 -9.972 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.525 -11.014 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.011 -10.986 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.478 -9.408 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.522 -11.180 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.292 -10.363 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.808 -11.893 3.122 1.00 0.00 H new ATOM 859 N GLN A 55 6.198 -7.989 1.399 1.00 0.00 N ATOM 860 CA GLN A 55 7.044 -7.608 2.574 1.00 0.00 C ATOM 861 C GLN A 55 7.581 -6.177 2.409 1.00 0.00 C ATOM 862 O GLN A 55 7.363 -5.345 3.267 1.00 0.00 O ATOM 863 CB GLN A 55 8.196 -8.616 2.591 1.00 0.00 C ATOM 864 CG GLN A 55 7.845 -9.776 3.525 1.00 0.00 C ATOM 865 CD GLN A 55 7.772 -9.269 4.966 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.781 -9.153 5.633 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.613 -8.960 5.479 1.00 0.00 N ATOM 0 H GLN A 55 6.606 -8.690 0.780 1.00 0.00 H new ATOM 0 HA GLN A 55 6.477 -7.627 3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.382 -8.989 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.113 -8.131 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.890 -10.215 3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.595 -10.562 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.766 -9.057 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.554 -8.621 6.439 1.00 0.00 H new ATOM 876 N PRO A 56 8.269 -5.923 1.313 1.00 0.00 N ATOM 877 CA PRO A 56 8.819 -4.562 1.076 1.00 0.00 C ATOM 878 C PRO A 56 7.703 -3.563 0.732 1.00 0.00 C ATOM 879 O PRO A 56 7.946 -2.375 0.617 1.00 0.00 O ATOM 880 CB PRO A 56 9.754 -4.753 -0.116 1.00 0.00 C ATOM 881 CG PRO A 56 9.227 -5.954 -0.830 1.00 0.00 C ATOM 882 CD PRO A 56 8.599 -6.843 0.209 1.00 0.00 C ATOM 0 HA PRO A 56 9.322 -4.156 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.752 -3.876 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.783 -4.907 0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.494 -5.664 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.030 -6.476 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.709 -7.340 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.286 -7.625 0.533 1.00 0.00 H new ATOM 890 N TYR A 57 6.485 -4.027 0.567 1.00 0.00 N ATOM 891 CA TYR A 57 5.365 -3.100 0.231 1.00 0.00 C ATOM 892 C TYR A 57 4.754 -2.523 1.511 1.00 0.00 C ATOM 893 O TYR A 57 4.391 -1.363 1.566 1.00 0.00 O ATOM 894 CB TYR A 57 4.345 -3.970 -0.505 1.00 0.00 C ATOM 895 CG TYR A 57 4.818 -4.232 -1.916 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.964 -5.002 -2.143 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.105 -3.703 -2.999 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.399 -5.243 -3.452 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.540 -3.944 -4.309 1.00 0.00 C ATOM 900 CZ TYR A 57 5.687 -4.713 -4.535 1.00 0.00 C ATOM 901 OH TYR A 57 6.116 -4.952 -5.825 1.00 0.00 O ATOM 0 H TYR A 57 6.222 -5.009 0.651 1.00 0.00 H new ATOM 0 HA TYR A 57 5.693 -2.254 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.209 -4.913 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.375 -3.473 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.514 -5.411 -1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.220 -3.109 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.284 -5.838 -3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.990 -3.536 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 57 6.045 -4.128 -6.351 1.00 0.00 H new ATOM 911 N GLU A 58 4.641 -3.325 2.541 1.00 0.00 N ATOM 912 CA GLU A 58 4.056 -2.827 3.823 1.00 0.00 C ATOM 913 C GLU A 58 5.110 -2.067 4.639 1.00 0.00 C ATOM 914 O GLU A 58 4.780 -1.262 5.490 1.00 0.00 O ATOM 915 CB GLU A 58 3.577 -4.077 4.572 1.00 0.00 C ATOM 916 CG GLU A 58 4.752 -5.035 4.816 1.00 0.00 C ATOM 917 CD GLU A 58 4.686 -5.578 6.246 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.857 -4.794 7.165 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.467 -6.768 6.397 1.00 0.00 O ATOM 0 H GLU A 58 4.929 -4.303 2.549 1.00 0.00 H new ATOM 0 HA GLU A 58 3.237 -2.129 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.129 -3.790 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.802 -4.581 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.717 -5.858 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.697 -4.515 4.657 1.00 0.00 H new ATOM 926 N GLN A 59 6.373 -2.313 4.385 1.00 0.00 N ATOM 927 CA GLN A 59 7.446 -1.601 5.144 1.00 0.00 C ATOM 928 C GLN A 59 7.608 -0.178 4.604 1.00 0.00 C ATOM 929 O GLN A 59 7.273 0.787 5.263 1.00 0.00 O ATOM 930 CB GLN A 59 8.718 -2.415 4.904 1.00 0.00 C ATOM 931 CG GLN A 59 8.584 -3.781 5.580 1.00 0.00 C ATOM 932 CD GLN A 59 8.710 -3.615 7.096 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.790 -3.390 7.607 1.00 0.00 O ATOM 934 NE2 GLN A 59 7.644 -3.718 7.841 1.00 0.00 N ATOM 0 H GLN A 59 6.706 -2.976 3.685 1.00 0.00 H new ATOM 0 HA GLN A 59 7.216 -1.519 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.885 -2.541 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.583 -1.884 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.622 -4.229 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.355 -4.458 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.738 -3.907 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.716 -3.610 8.853 1.00 0.00 H new ATOM 943 N LYS A 60 8.132 -0.042 3.408 1.00 0.00 N ATOM 944 CA LYS A 60 8.340 1.319 2.806 1.00 0.00 C ATOM 945 C LYS A 60 7.079 2.191 2.918 1.00 0.00 C ATOM 946 O LYS A 60 7.162 3.405 2.905 1.00 0.00 O ATOM 947 CB LYS A 60 8.668 1.055 1.335 1.00 0.00 C ATOM 948 CG LYS A 60 9.040 2.372 0.650 1.00 0.00 C ATOM 949 CD LYS A 60 8.643 2.308 -0.826 1.00 0.00 C ATOM 950 CE LYS A 60 9.240 3.507 -1.568 1.00 0.00 C ATOM 951 NZ LYS A 60 9.387 3.052 -2.979 1.00 0.00 N ATOM 0 H LYS A 60 8.427 -0.820 2.818 1.00 0.00 H new ATOM 0 HA LYS A 60 9.131 1.862 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.493 0.347 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.811 0.603 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.533 3.204 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.111 2.553 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.999 1.378 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.557 2.311 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.588 4.378 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.202 3.795 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.791 3.821 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.018 2.226 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.455 2.791 -3.359 1.00 0.00 H new ATOM 965 N ALA A 61 5.920 1.589 3.038 1.00 0.00 N ATOM 966 CA ALA A 61 4.670 2.393 3.163 1.00 0.00 C ATOM 967 C ALA A 61 4.376 2.675 4.638 1.00 0.00 C ATOM 968 O ALA A 61 3.911 3.740 4.994 1.00 0.00 O ATOM 969 CB ALA A 61 3.570 1.527 2.551 1.00 0.00 C ATOM 0 H ALA A 61 5.789 0.578 3.054 1.00 0.00 H new ATOM 0 HA ALA A 61 4.747 3.357 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.618 2.055 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.809 1.319 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.498 0.588 3.101 1.00 0.00 H new ATOM 975 N ALA A 62 4.652 1.724 5.495 1.00 0.00 N ATOM 976 CA ALA A 62 4.396 1.929 6.953 1.00 0.00 C ATOM 977 C ALA A 62 5.289 3.051 7.485 1.00 0.00 C ATOM 978 O ALA A 62 4.885 3.824 8.333 1.00 0.00 O ATOM 979 CB ALA A 62 4.751 0.598 7.620 1.00 0.00 C ATOM 0 H ALA A 62 5.043 0.815 5.248 1.00 0.00 H new ATOM 0 HA ALA A 62 3.363 2.215 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.587 0.675 8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.121 -0.193 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.798 0.363 7.429 1.00 0.00 H new ATOM 985 N LYS A 63 6.495 3.154 6.984 1.00 0.00 N ATOM 986 CA LYS A 63 7.414 4.237 7.447 1.00 0.00 C ATOM 987 C LYS A 63 7.154 5.537 6.670 1.00 0.00 C ATOM 988 O LYS A 63 7.679 6.581 7.008 1.00 0.00 O ATOM 989 CB LYS A 63 8.821 3.711 7.155 1.00 0.00 C ATOM 990 CG LYS A 63 9.778 4.172 8.255 1.00 0.00 C ATOM 991 CD LYS A 63 10.971 3.215 8.326 1.00 0.00 C ATOM 992 CE LYS A 63 11.988 3.584 7.244 1.00 0.00 C ATOM 993 NZ LYS A 63 12.597 2.289 6.832 1.00 0.00 N ATOM 0 H LYS A 63 6.882 2.533 6.273 1.00 0.00 H new ATOM 0 HA LYS A 63 7.272 4.470 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.810 2.622 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.162 4.074 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.123 5.186 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.261 4.198 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.436 3.269 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.635 2.187 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.506 4.080 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.742 4.271 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.306 2.459 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.054 1.844 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.856 1.659 6.464 1.00 0.00 H new ATOM 1007 N LEU A 64 6.337 5.487 5.642 1.00 0.00 N ATOM 1008 CA LEU A 64 6.032 6.720 4.859 1.00 0.00 C ATOM 1009 C LEU A 64 4.701 7.302 5.334 1.00 0.00 C ATOM 1010 O LEU A 64 4.495 8.501 5.323 1.00 0.00 O ATOM 1011 CB LEU A 64 5.930 6.255 3.406 1.00 0.00 C ATOM 1012 CG LEU A 64 7.255 6.519 2.688 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.234 5.851 1.312 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.450 8.027 2.518 1.00 0.00 C ATOM 0 H LEU A 64 5.870 4.642 5.314 1.00 0.00 H new ATOM 0 HA LEU A 64 6.790 7.495 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.691 5.192 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.120 6.782 2.901 1.00 0.00 H new ATOM 0 HG LEU A 64 8.075 6.109 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.178 6.040 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.094 4.777 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.414 6.260 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.394 8.216 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.629 8.436 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.466 8.505 3.498 1.00 0.00 H new ATOM 1026 N LYS A 65 3.800 6.451 5.759 1.00 0.00 N ATOM 1027 CA LYS A 65 2.476 6.937 6.249 1.00 0.00 C ATOM 1028 C LYS A 65 2.651 7.651 7.593 1.00 0.00 C ATOM 1029 O LYS A 65 2.189 8.762 7.780 1.00 0.00 O ATOM 1030 CB LYS A 65 1.623 5.674 6.415 1.00 0.00 C ATOM 1031 CG LYS A 65 0.221 6.058 6.893 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.509 4.810 7.394 1.00 0.00 C ATOM 1033 CE LYS A 65 -2.002 5.116 7.540 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.542 4.005 8.372 1.00 0.00 N ATOM 0 H LYS A 65 3.926 5.439 5.787 1.00 0.00 H new ATOM 0 HA LYS A 65 2.013 7.648 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.561 5.138 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.090 5.000 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.288 6.798 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.339 6.517 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.362 3.985 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.096 4.494 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.162 6.082 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.494 5.157 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.562 4.144 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.381 3.099 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.060 3.995 9.293 1.00 0.00 H new