USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 35 THR OG1 : rot 180:sc= 0.0312 USER MOD Set 1.2: A 38 SER OG : rot 132:sc= 0.0302 USER MOD Set 2.1: A 15 THR OG1 : rot -134:sc= 1.19 USER MOD Set 2.2: A 18 GLN : amide:sc= 0.589 K(o=1.8,f=-4.7!) USER MOD Single : A 12 THR OG1 : rot 27:sc= 0.289 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00863 USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 1.26 (180deg=1.04) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.09) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0341) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.622 K(o=0.62,f=-0.027) USER MOD Single : A 42 HIS : no HD1:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.995 K(o=1,f=-0.43) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -8.016 8.906 -2.744 1.00 0.00 N ATOM 180 CA THR A 12 -8.418 7.514 -2.931 1.00 0.00 C ATOM 181 C THR A 12 -9.911 7.401 -2.644 1.00 0.00 C ATOM 182 O THR A 12 -10.471 8.238 -1.940 1.00 0.00 O ATOM 183 CB THR A 12 -7.610 6.574 -2.007 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.247 6.943 -1.932 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.690 5.127 -2.473 1.00 0.00 C ATOM 0 HA THR A 12 -8.214 7.210 -3.958 1.00 0.00 H new ATOM 0 HB THR A 12 -8.061 6.669 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.158 7.904 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.110 4.495 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.730 4.801 -2.471 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.287 5.047 -3.483 1.00 0.00 H new ATOM 193 N ALA A 13 -10.555 6.338 -3.118 1.00 0.00 N ATOM 194 CA ALA A 13 -11.949 6.031 -2.827 1.00 0.00 C ATOM 195 C ALA A 13 -12.177 5.415 -1.441 1.00 0.00 C ATOM 196 O ALA A 13 -13.252 4.890 -1.172 1.00 0.00 O ATOM 197 CB ALA A 13 -12.446 5.106 -3.939 1.00 0.00 C ATOM 0 H ALA A 13 -10.111 5.652 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.515 6.962 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.490 4.850 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.356 5.612 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.846 4.196 -3.951 1.00 0.00 H new ATOM 203 N PHE A 14 -11.175 5.448 -0.568 1.00 0.00 N ATOM 204 CA PHE A 14 -11.178 4.763 0.724 1.00 0.00 C ATOM 205 C PHE A 14 -11.089 5.775 1.860 1.00 0.00 C ATOM 206 O PHE A 14 -11.138 6.985 1.633 1.00 0.00 O ATOM 207 CB PHE A 14 -10.016 3.764 0.806 1.00 0.00 C ATOM 208 CG PHE A 14 -9.851 2.791 -0.338 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.959 2.150 -0.921 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.554 2.505 -0.795 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.756 1.205 -1.940 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.354 1.588 -1.829 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.449 0.910 -2.381 1.00 0.00 C ATOM 0 H PHE A 14 -10.314 5.966 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.114 4.212 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.090 4.332 0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.132 3.188 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.959 2.383 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.706 2.998 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.602 0.703 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.358 1.402 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.292 0.162 -3.144 1.00 0.00 H new ATOM 223 N THR A 15 -10.949 5.273 3.081 1.00 0.00 N ATOM 224 CA THR A 15 -10.959 5.996 4.343 1.00 0.00 C ATOM 225 C THR A 15 -9.754 5.499 5.155 1.00 0.00 C ATOM 226 O THR A 15 -9.155 4.490 4.782 1.00 0.00 O ATOM 227 CB THR A 15 -12.302 5.683 5.018 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.348 4.300 5.264 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.510 6.027 4.143 1.00 0.00 C ATOM 0 H THR A 15 -10.815 4.272 3.223 1.00 0.00 H new ATOM 0 HA THR A 15 -10.871 7.077 4.237 1.00 0.00 H new ATOM 0 HB THR A 15 -12.359 6.285 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.218 3.947 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.428 5.782 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.499 7.092 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.465 5.452 3.218 1.00 0.00 H new ATOM 237 N SER A 16 -9.368 6.171 6.245 1.00 0.00 N ATOM 238 CA SER A 16 -8.193 5.752 7.012 1.00 0.00 C ATOM 239 C SER A 16 -8.443 4.397 7.684 1.00 0.00 C ATOM 240 O SER A 16 -7.556 3.553 7.731 1.00 0.00 O ATOM 241 CB SER A 16 -7.817 6.803 8.059 1.00 0.00 C ATOM 242 OG SER A 16 -8.071 8.130 7.617 1.00 0.00 O ATOM 0 H SER A 16 -9.845 6.995 6.611 1.00 0.00 H new ATOM 0 HA SER A 16 -7.359 5.649 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.378 6.615 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.760 6.702 8.306 1.00 0.00 H new ATOM 0 HG SER A 16 -7.816 8.763 8.320 1.00 0.00 H new ATOM 248 N GLU A 17 -9.674 4.180 8.148 1.00 0.00 N ATOM 249 CA GLU A 17 -10.166 2.940 8.721 1.00 0.00 C ATOM 250 C GLU A 17 -10.057 1.784 7.713 1.00 0.00 C ATOM 251 O GLU A 17 -9.534 0.722 8.036 1.00 0.00 O ATOM 252 CB GLU A 17 -11.582 3.206 9.268 1.00 0.00 C ATOM 253 CG GLU A 17 -12.562 3.772 8.244 1.00 0.00 C ATOM 254 CD GLU A 17 -13.900 4.268 8.791 1.00 0.00 C ATOM 255 OE1 GLU A 17 -13.960 5.395 9.352 1.00 0.00 O ATOM 256 OE2 GLU A 17 -14.928 3.589 8.574 1.00 0.00 O ATOM 0 H GLU A 17 -10.388 4.908 8.130 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.553 2.609 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.986 2.274 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.510 3.901 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.076 4.599 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.761 3.002 7.499 1.00 0.00 H new ATOM 263 N GLN A 18 -10.451 1.996 6.455 1.00 0.00 N ATOM 264 CA GLN A 18 -10.315 0.984 5.407 1.00 0.00 C ATOM 265 C GLN A 18 -8.860 0.754 4.990 1.00 0.00 C ATOM 266 O GLN A 18 -8.549 -0.285 4.412 1.00 0.00 O ATOM 267 CB GLN A 18 -11.159 1.409 4.195 1.00 0.00 C ATOM 268 CG GLN A 18 -12.644 1.123 4.457 1.00 0.00 C ATOM 269 CD GLN A 18 -13.560 1.969 3.583 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.227 2.864 4.086 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.601 1.737 2.281 1.00 0.00 N ATOM 0 H GLN A 18 -10.871 2.869 6.136 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.673 0.035 5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.015 2.471 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.829 0.871 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.846 0.067 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.869 1.314 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.039 0.987 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.195 2.308 1.680 1.00 0.00 H new ATOM 280 N LEU A 19 -7.978 1.719 5.243 1.00 0.00 N ATOM 281 CA LEU A 19 -6.556 1.648 4.945 1.00 0.00 C ATOM 282 C LEU A 19 -5.793 0.916 6.049 1.00 0.00 C ATOM 283 O LEU A 19 -4.608 0.666 5.853 1.00 0.00 O ATOM 284 CB LEU A 19 -5.986 3.078 4.800 1.00 0.00 C ATOM 285 CG LEU A 19 -5.843 3.639 3.374 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.961 3.259 2.404 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.788 5.174 3.446 1.00 0.00 C ATOM 0 H LEU A 19 -8.248 2.602 5.677 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.433 1.095 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.625 3.755 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.003 3.099 5.271 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.929 3.193 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.764 3.705 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.004 2.174 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.914 3.626 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.687 5.582 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.705 5.550 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.933 5.480 4.049 1.00 0.00 H new ATOM 299 N LEU A 20 -6.386 0.608 7.202 1.00 0.00 N ATOM 300 CA LEU A 20 -5.613 0.251 8.389 1.00 0.00 C ATOM 301 C LEU A 20 -5.148 -1.191 8.241 1.00 0.00 C ATOM 302 O LEU A 20 -3.950 -1.468 8.232 1.00 0.00 O ATOM 303 CB LEU A 20 -6.463 0.492 9.654 1.00 0.00 C ATOM 304 CG LEU A 20 -5.720 1.412 10.643 1.00 0.00 C ATOM 305 CD1 LEU A 20 -6.700 1.997 11.664 1.00 0.00 C ATOM 306 CD2 LEU A 20 -4.605 0.645 11.359 1.00 0.00 C ATOM 0 H LEU A 20 -7.397 0.599 7.338 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.726 0.877 8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.416 0.942 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.688 -0.460 10.134 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.270 2.230 10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.161 2.644 12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.464 2.576 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.174 1.187 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.092 1.311 12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.035 -0.192 11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.893 0.268 10.625 1.00 0.00 H new ATOM 318 N GLU A 21 -6.113 -2.080 8.007 1.00 0.00 N ATOM 319 CA GLU A 21 -5.908 -3.481 7.674 1.00 0.00 C ATOM 320 C GLU A 21 -5.053 -3.586 6.411 1.00 0.00 C ATOM 321 O GLU A 21 -4.206 -4.467 6.286 1.00 0.00 O ATOM 322 CB GLU A 21 -7.280 -4.119 7.426 1.00 0.00 C ATOM 323 CG GLU A 21 -8.186 -4.152 8.668 1.00 0.00 C ATOM 324 CD GLU A 21 -7.729 -5.237 9.644 1.00 0.00 C ATOM 325 OE1 GLU A 21 -8.005 -6.435 9.394 1.00 0.00 O ATOM 326 OE2 GLU A 21 -7.002 -4.902 10.607 1.00 0.00 O ATOM 0 H GLU A 21 -7.101 -1.828 8.047 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.397 -3.994 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.787 -3.569 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.136 -5.138 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.169 -3.181 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.217 -4.338 8.367 1.00 0.00 H new ATOM 333 N LEU A 22 -5.295 -2.686 5.459 1.00 0.00 N ATOM 334 CA LEU A 22 -4.658 -2.648 4.153 1.00 0.00 C ATOM 335 C LEU A 22 -3.144 -2.537 4.306 1.00 0.00 C ATOM 336 O LEU A 22 -2.389 -3.306 3.711 1.00 0.00 O ATOM 337 CB LEU A 22 -5.255 -1.455 3.379 1.00 0.00 C ATOM 338 CG LEU A 22 -5.662 -1.800 1.947 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.586 -0.711 1.394 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.460 -1.970 1.033 1.00 0.00 C ATOM 0 H LEU A 22 -5.971 -1.933 5.587 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.845 -3.566 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.127 -1.083 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.526 -0.645 3.356 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.187 -2.755 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.873 -0.962 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.479 -0.641 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.064 0.246 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.800 -2.214 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.888 -1.042 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.829 -2.775 1.408 1.00 0.00 H new ATOM 352 N GLU A 23 -2.700 -1.579 5.106 1.00 0.00 N ATOM 353 CA GLU A 23 -1.283 -1.359 5.359 1.00 0.00 C ATOM 354 C GLU A 23 -0.705 -2.392 6.324 1.00 0.00 C ATOM 355 O GLU A 23 0.489 -2.684 6.255 1.00 0.00 O ATOM 356 CB GLU A 23 -1.089 0.050 5.917 1.00 0.00 C ATOM 357 CG GLU A 23 -1.174 1.065 4.768 1.00 0.00 C ATOM 358 CD GLU A 23 -1.063 2.526 5.200 1.00 0.00 C ATOM 359 OE1 GLU A 23 -1.626 2.919 6.244 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.498 3.342 4.435 1.00 0.00 O ATOM 0 H GLU A 23 -3.313 -0.930 5.599 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.747 -1.468 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.851 0.266 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.123 0.127 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.381 0.850 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.121 0.925 4.246 1.00 0.00 H new ATOM 367 N LYS A 24 -1.516 -2.955 7.217 1.00 0.00 N ATOM 368 CA LYS A 24 -1.095 -3.971 8.178 1.00 0.00 C ATOM 369 C LYS A 24 -0.545 -5.219 7.476 1.00 0.00 C ATOM 370 O LYS A 24 0.419 -5.813 7.963 1.00 0.00 O ATOM 371 CB LYS A 24 -2.300 -4.198 9.100 1.00 0.00 C ATOM 372 CG LYS A 24 -2.377 -5.469 9.949 1.00 0.00 C ATOM 373 CD LYS A 24 -3.629 -5.318 10.830 1.00 0.00 C ATOM 374 CE LYS A 24 -4.033 -6.564 11.615 1.00 0.00 C ATOM 375 NZ LYS A 24 -5.369 -6.378 12.226 1.00 0.00 N ATOM 0 H LYS A 24 -2.504 -2.713 7.294 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.248 -3.656 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.354 -3.348 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.195 -4.166 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.449 -6.355 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.482 -5.584 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.460 -4.504 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.465 -5.022 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.046 -7.430 10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.296 -6.767 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.918 -7.256 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.260 -6.142 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.868 -5.605 11.741 1.00 0.00 H new ATOM 389 N GLU A 25 -1.056 -5.550 6.289 1.00 0.00 N ATOM 390 CA GLU A 25 -0.544 -6.636 5.450 1.00 0.00 C ATOM 391 C GLU A 25 0.780 -6.304 4.747 1.00 0.00 C ATOM 392 O GLU A 25 1.395 -7.189 4.155 1.00 0.00 O ATOM 393 CB GLU A 25 -1.626 -7.032 4.425 1.00 0.00 C ATOM 394 CG GLU A 25 -2.238 -8.412 4.710 1.00 0.00 C ATOM 395 CD GLU A 25 -2.782 -8.536 6.138 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.996 -8.929 7.031 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.984 -8.231 6.329 1.00 0.00 O ATOM 0 H GLU A 25 -1.851 -5.063 5.876 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.318 -7.475 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.416 -6.281 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.191 -7.032 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.044 -8.600 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.483 -9.181 4.546 1.00 0.00 H new ATOM 404 N PHE A 26 1.261 -5.061 4.800 1.00 0.00 N ATOM 405 CA PHE A 26 2.565 -4.697 4.246 1.00 0.00 C ATOM 406 C PHE A 26 3.686 -4.862 5.280 1.00 0.00 C ATOM 407 O PHE A 26 4.846 -4.626 4.942 1.00 0.00 O ATOM 408 CB PHE A 26 2.503 -3.290 3.620 1.00 0.00 C ATOM 409 CG PHE A 26 2.176 -3.306 2.138 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.054 -4.014 1.658 1.00 0.00 C ATOM 411 CD2 PHE A 26 3.032 -2.652 1.230 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.834 -4.120 0.274 1.00 0.00 C ATOM 413 CE2 PHE A 26 2.784 -2.730 -0.152 1.00 0.00 C ATOM 414 CZ PHE A 26 1.702 -3.487 -0.633 1.00 0.00 C ATOM 0 H PHE A 26 0.760 -4.282 5.226 1.00 0.00 H new ATOM 0 HA PHE A 26 2.815 -5.389 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.752 -2.699 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.461 -2.791 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.366 -4.473 2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.879 -2.090 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.006 -4.690 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.426 -2.207 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.538 -3.582 -1.696 1.00 0.00 H new ATOM 424 N HIS A 27 3.382 -5.279 6.514 1.00 0.00 N ATOM 425 CA HIS A 27 4.370 -5.439 7.576 1.00 0.00 C ATOM 426 C HIS A 27 5.016 -6.834 7.528 1.00 0.00 C ATOM 427 O HIS A 27 6.240 -6.958 7.614 1.00 0.00 O ATOM 428 CB HIS A 27 3.672 -5.187 8.923 1.00 0.00 C ATOM 429 CG HIS A 27 4.546 -4.511 9.949 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.285 -5.111 10.946 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.696 -3.157 10.081 1.00 0.00 C ATOM 432 CE1 HIS A 27 5.855 -4.134 11.672 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.540 -2.923 11.177 1.00 0.00 N ATOM 0 H HIS A 27 2.433 -5.516 6.802 1.00 0.00 H new ATOM 0 HA HIS A 27 5.178 -4.719 7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.787 -4.573 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.327 -6.139 9.325 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.245 -2.403 9.453 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.481 -4.299 12.536 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.852 -2.017 11.528 1.00 0.00 H new ATOM 441 N CYS A 28 4.194 -7.887 7.403 1.00 0.00 N ATOM 442 CA CYS A 28 4.598 -9.271 7.660 1.00 0.00 C ATOM 443 C CYS A 28 4.884 -10.087 6.389 1.00 0.00 C ATOM 444 O CYS A 28 5.366 -11.226 6.480 1.00 0.00 O ATOM 445 CB CYS A 28 3.510 -9.935 8.509 1.00 0.00 C ATOM 446 SG CYS A 28 3.501 -9.195 10.167 1.00 0.00 S ATOM 0 H CYS A 28 3.219 -7.797 7.117 1.00 0.00 H new ATOM 0 HA CYS A 28 5.549 -9.248 8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.536 -9.807 8.037 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.692 -11.007 8.579 1.00 0.00 H new ATOM 0 HG CYS A 28 2.576 -9.756 10.888 1.00 0.00 H new ATOM 452 N LYS A 29 4.586 -9.531 5.212 1.00 0.00 N ATOM 453 CA LYS A 29 4.726 -10.173 3.907 1.00 0.00 C ATOM 454 C LYS A 29 4.830 -9.098 2.839 1.00 0.00 C ATOM 455 O LYS A 29 3.838 -8.440 2.527 1.00 0.00 O ATOM 456 CB LYS A 29 3.558 -11.147 3.628 1.00 0.00 C ATOM 457 CG LYS A 29 2.137 -10.676 4.033 1.00 0.00 C ATOM 458 CD LYS A 29 1.151 -10.501 2.870 1.00 0.00 C ATOM 459 CE LYS A 29 0.864 -11.804 2.115 1.00 0.00 C ATOM 460 NZ LYS A 29 0.154 -12.811 2.925 1.00 0.00 N ATOM 0 H LYS A 29 4.225 -8.580 5.142 1.00 0.00 H new ATOM 0 HA LYS A 29 5.635 -10.774 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.550 -11.370 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.766 -12.083 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.720 -11.396 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.223 -9.727 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.214 -10.099 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.551 -9.766 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.270 -11.578 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.806 -12.228 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.023 -13.677 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.712 -13.029 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.775 -12.437 3.207 1.00 0.00 H new ATOM 474 N LYS A 30 6.008 -8.912 2.240 1.00 0.00 N ATOM 475 CA LYS A 30 6.214 -7.933 1.166 1.00 0.00 C ATOM 476 C LYS A 30 5.643 -8.427 -0.180 1.00 0.00 C ATOM 477 O LYS A 30 6.253 -8.220 -1.228 1.00 0.00 O ATOM 478 CB LYS A 30 7.708 -7.528 1.102 1.00 0.00 C ATOM 479 CG LYS A 30 7.907 -6.012 0.884 1.00 0.00 C ATOM 480 CD LYS A 30 7.574 -5.528 -0.538 1.00 0.00 C ATOM 481 CE LYS A 30 7.440 -4.006 -0.656 1.00 0.00 C ATOM 482 NZ LYS A 30 6.197 -3.516 -0.015 1.00 0.00 N ATOM 0 H LYS A 30 6.848 -9.436 2.485 1.00 0.00 H new ATOM 0 HA LYS A 30 5.648 -7.029 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.201 -7.825 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.194 -8.074 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.284 -5.470 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.943 -5.757 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.353 -5.869 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.642 -5.992 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.302 -3.527 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.445 -3.720 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.070 -2.506 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.384 -4.052 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.263 -3.645 1.015 1.00 0.00 H new ATOM 496 N TYR A 31 4.523 -9.147 -0.184 1.00 0.00 N ATOM 497 CA TYR A 31 3.931 -9.719 -1.379 1.00 0.00 C ATOM 498 C TYR A 31 2.498 -10.124 -1.053 1.00 0.00 C ATOM 499 O TYR A 31 2.275 -11.132 -0.387 1.00 0.00 O ATOM 500 CB TYR A 31 4.775 -10.902 -1.899 1.00 0.00 C ATOM 501 CG TYR A 31 5.342 -11.834 -0.839 1.00 0.00 C ATOM 502 CD1 TYR A 31 6.567 -11.521 -0.219 1.00 0.00 C ATOM 503 CD2 TYR A 31 4.620 -12.967 -0.419 1.00 0.00 C ATOM 504 CE1 TYR A 31 7.025 -12.269 0.875 1.00 0.00 C ATOM 505 CE2 TYR A 31 5.103 -13.754 0.640 1.00 0.00 C ATOM 506 CZ TYR A 31 6.292 -13.394 1.310 1.00 0.00 C ATOM 507 OH TYR A 31 6.707 -14.127 2.374 1.00 0.00 O ATOM 0 H TYR A 31 3.995 -9.350 0.665 1.00 0.00 H new ATOM 0 HA TYR A 31 3.914 -8.985 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.159 -11.490 -2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.604 -10.502 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.159 -10.697 -0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.695 -13.231 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.935 -11.985 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.562 -14.638 0.943 1.00 0.00 H new ATOM 0 HH TYR A 31 6.078 -14.863 2.530 1.00 0.00 H new ATOM 517 N LEU A 32 1.504 -9.344 -1.487 1.00 0.00 N ATOM 518 CA LEU A 32 0.139 -9.859 -1.520 1.00 0.00 C ATOM 519 C LEU A 32 0.045 -10.905 -2.622 1.00 0.00 C ATOM 520 O LEU A 32 0.253 -10.600 -3.803 1.00 0.00 O ATOM 521 CB LEU A 32 -0.902 -8.762 -1.724 1.00 0.00 C ATOM 522 CG LEU A 32 -1.155 -7.957 -0.440 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.121 -6.844 -0.809 1.00 0.00 C ATOM 524 CD2 LEU A 32 -1.797 -8.764 0.696 1.00 0.00 C ATOM 0 H LEU A 32 1.615 -8.383 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.083 -10.305 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.568 -8.089 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.837 -9.209 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.188 -7.612 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.334 -6.240 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.675 -6.216 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.048 -7.277 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.940 -8.120 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.762 -9.151 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.145 -9.595 0.965 1.00 0.00 H new ATOM 536 N SER A 33 -0.263 -12.115 -2.188 1.00 0.00 N ATOM 537 CA SER A 33 -0.463 -13.361 -2.904 1.00 0.00 C ATOM 538 C SER A 33 -1.778 -13.959 -2.373 1.00 0.00 C ATOM 539 O SER A 33 -2.458 -13.286 -1.599 1.00 0.00 O ATOM 540 CB SER A 33 0.740 -14.250 -2.570 1.00 0.00 C ATOM 541 OG SER A 33 1.842 -13.947 -3.408 1.00 0.00 O ATOM 0 H SER A 33 -0.396 -12.264 -1.188 1.00 0.00 H new ATOM 0 HA SER A 33 -0.533 -13.249 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.022 -14.110 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.466 -15.298 -2.688 1.00 0.00 H new ATOM 0 HG SER A 33 2.598 -14.525 -3.176 1.00 0.00 H new ATOM 547 N LEU A 34 -2.129 -15.198 -2.752 1.00 0.00 N ATOM 548 CA LEU A 34 -3.166 -16.011 -2.094 1.00 0.00 C ATOM 549 C LEU A 34 -4.472 -15.245 -1.904 1.00 0.00 C ATOM 550 O LEU A 34 -5.142 -15.361 -0.894 1.00 0.00 O ATOM 551 CB LEU A 34 -2.565 -16.626 -0.821 1.00 0.00 C ATOM 552 CG LEU A 34 -3.374 -17.691 -0.040 1.00 0.00 C ATOM 553 CD1 LEU A 34 -4.249 -17.102 1.071 1.00 0.00 C ATOM 554 CD2 LEU A 34 -4.205 -18.628 -0.928 1.00 0.00 C ATOM 0 H LEU A 34 -1.691 -15.673 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.469 -16.839 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.610 -17.075 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.349 -15.809 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.599 -18.297 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.786 -17.905 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.620 -16.579 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.964 -16.402 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.740 -19.343 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.921 -18.043 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.544 -19.165 -1.609 1.00 0.00 H new ATOM 566 N THR A 35 -4.838 -14.428 -2.881 1.00 0.00 N ATOM 567 CA THR A 35 -6.030 -13.586 -2.868 1.00 0.00 C ATOM 568 C THR A 35 -6.190 -12.763 -1.565 1.00 0.00 C ATOM 569 O THR A 35 -7.266 -12.257 -1.260 1.00 0.00 O ATOM 570 CB THR A 35 -7.247 -14.440 -3.296 1.00 0.00 C ATOM 571 OG1 THR A 35 -8.251 -13.627 -3.870 1.00 0.00 O ATOM 572 CG2 THR A 35 -7.843 -15.320 -2.185 1.00 0.00 C ATOM 0 H THR A 35 -4.294 -14.328 -3.738 1.00 0.00 H new ATOM 0 HA THR A 35 -5.933 -12.791 -3.607 1.00 0.00 H new ATOM 0 HB THR A 35 -6.857 -15.135 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.012 -14.185 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.690 -15.881 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.084 -16.015 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.178 -14.689 -1.361 1.00 0.00 H new ATOM 580 N GLU A 36 -5.110 -12.527 -0.815 1.00 0.00 N ATOM 581 CA GLU A 36 -5.094 -11.776 0.439 1.00 0.00 C ATOM 582 C GLU A 36 -5.545 -10.354 0.171 1.00 0.00 C ATOM 583 O GLU A 36 -6.211 -9.710 0.972 1.00 0.00 O ATOM 584 CB GLU A 36 -3.665 -11.759 0.979 1.00 0.00 C ATOM 585 CG GLU A 36 -3.260 -13.144 1.467 1.00 0.00 C ATOM 586 CD GLU A 36 -3.424 -13.270 2.973 1.00 0.00 C ATOM 587 OE1 GLU A 36 -2.436 -12.947 3.680 1.00 0.00 O ATOM 588 OE2 GLU A 36 -4.476 -13.780 3.408 1.00 0.00 O ATOM 0 H GLU A 36 -4.186 -12.869 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.762 -12.240 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.980 -11.427 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.588 -11.042 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.868 -13.899 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.223 -13.339 1.195 1.00 0.00 H new ATOM 595 N ARG A 37 -5.223 -9.906 -1.036 1.00 0.00 N ATOM 596 CA ARG A 37 -5.621 -8.605 -1.557 1.00 0.00 C ATOM 597 C ARG A 37 -7.138 -8.432 -1.558 1.00 0.00 C ATOM 598 O ARG A 37 -7.660 -7.332 -1.382 1.00 0.00 O ATOM 599 CB ARG A 37 -5.018 -8.408 -2.954 1.00 0.00 C ATOM 600 CG ARG A 37 -5.853 -8.977 -4.114 1.00 0.00 C ATOM 601 CD ARG A 37 -5.094 -8.955 -5.445 1.00 0.00 C ATOM 602 NE ARG A 37 -4.614 -10.289 -5.825 1.00 0.00 N ATOM 603 CZ ARG A 37 -3.554 -10.546 -6.594 1.00 0.00 C ATOM 604 NH1 ARG A 37 -2.938 -9.583 -7.269 1.00 0.00 N ATOM 605 NH2 ARG A 37 -3.090 -11.779 -6.688 1.00 0.00 N ATOM 0 H ARG A 37 -4.665 -10.450 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.231 -7.829 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.872 -7.341 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.032 -8.872 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.143 -10.002 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.773 -8.400 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.746 -8.567 -6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.247 -8.273 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.136 -11.090 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.273 -8.622 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.130 -9.804 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.542 -12.535 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.280 -11.976 -7.276 1.00 0.00 H new ATOM 619 N SER A 38 -7.842 -9.527 -1.805 1.00 0.00 N ATOM 620 CA SER A 38 -9.272 -9.578 -1.899 1.00 0.00 C ATOM 621 C SER A 38 -9.893 -9.810 -0.519 1.00 0.00 C ATOM 622 O SER A 38 -11.116 -9.713 -0.414 1.00 0.00 O ATOM 623 CB SER A 38 -9.650 -10.667 -2.902 1.00 0.00 C ATOM 624 OG SER A 38 -8.914 -10.528 -4.113 1.00 0.00 O ATOM 0 H SER A 38 -7.403 -10.436 -1.950 1.00 0.00 H new ATOM 0 HA SER A 38 -9.667 -8.627 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.459 -11.648 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.718 -10.615 -3.114 1.00 0.00 H new ATOM 0 HG SER A 38 -8.539 -11.396 -4.369 1.00 0.00 H new ATOM 630 N GLN A 39 -9.092 -10.056 0.531 1.00 0.00 N ATOM 631 CA GLN A 39 -9.636 -10.116 1.885 1.00 0.00 C ATOM 632 C GLN A 39 -10.099 -8.720 2.266 1.00 0.00 C ATOM 633 O GLN A 39 -11.263 -8.549 2.593 1.00 0.00 O ATOM 634 CB GLN A 39 -8.669 -10.708 2.927 1.00 0.00 C ATOM 635 CG GLN A 39 -8.439 -12.209 2.683 1.00 0.00 C ATOM 636 CD GLN A 39 -8.308 -13.028 3.970 1.00 0.00 C ATOM 637 OE1 GLN A 39 -9.225 -13.048 4.783 1.00 0.00 O ATOM 638 NE2 GLN A 39 -7.205 -13.733 4.199 1.00 0.00 N ATOM 0 H GLN A 39 -8.086 -10.213 0.465 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.476 -10.811 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.716 -10.180 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.072 -10.557 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.267 -12.604 2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.535 -12.337 2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.441 -13.718 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.123 -14.289 5.050 1.00 0.00 H new ATOM 647 N ILE A 40 -9.252 -7.695 2.127 1.00 0.00 N ATOM 648 CA ILE A 40 -9.656 -6.307 2.395 1.00 0.00 C ATOM 649 C ILE A 40 -10.912 -5.961 1.568 1.00 0.00 C ATOM 650 O ILE A 40 -11.856 -5.349 2.078 1.00 0.00 O ATOM 651 CB ILE A 40 -8.506 -5.305 2.106 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.142 -5.703 2.715 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.867 -3.925 2.675 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.249 -6.420 1.694 1.00 0.00 C ATOM 0 H ILE A 40 -8.282 -7.798 1.830 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.892 -6.220 3.455 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.399 -5.300 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.633 -4.811 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.304 -6.352 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.058 -3.224 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.784 -3.567 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.016 -4.003 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.300 -6.683 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.746 -7.326 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.065 -5.761 0.845 1.00 0.00 H new ATOM 666 N ALA A 41 -10.942 -6.386 0.298 1.00 0.00 N ATOM 667 CA ALA A 41 -12.067 -6.177 -0.606 1.00 0.00 C ATOM 668 C ALA A 41 -13.383 -6.766 -0.084 1.00 0.00 C ATOM 669 O ALA A 41 -14.438 -6.214 -0.396 1.00 0.00 O ATOM 670 CB ALA A 41 -11.749 -6.715 -2.003 1.00 0.00 C ATOM 0 H ALA A 41 -10.168 -6.893 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.215 -5.099 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.602 -6.548 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.877 -6.197 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.541 -7.783 -1.943 1.00 0.00 H new ATOM 676 N HIS A 42 -13.359 -7.843 0.700 1.00 0.00 N ATOM 677 CA HIS A 42 -14.564 -8.481 1.222 1.00 0.00 C ATOM 678 C HIS A 42 -14.821 -8.073 2.674 1.00 0.00 C ATOM 679 O HIS A 42 -15.973 -7.913 3.082 1.00 0.00 O ATOM 680 CB HIS A 42 -14.416 -10.006 1.102 1.00 0.00 C ATOM 681 CG HIS A 42 -15.704 -10.760 0.874 1.00 0.00 C ATOM 682 ND1 HIS A 42 -15.813 -11.926 0.151 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.966 -10.411 1.277 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.108 -12.265 0.093 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.851 -11.364 0.759 1.00 0.00 N ATOM 0 H HIS A 42 -12.495 -8.300 0.992 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.423 -8.152 0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.735 -10.225 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.949 -10.383 2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -17.230 -9.557 1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.498 -13.135 -0.415 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.865 -11.373 0.866 1.00 0.00 H new ATOM 693 N ALA A 43 -13.765 -7.878 3.462 1.00 0.00 N ATOM 694 CA ALA A 43 -13.815 -7.867 4.895 1.00 0.00 C ATOM 695 C ALA A 43 -14.303 -6.506 5.305 1.00 0.00 C ATOM 696 O ALA A 43 -15.102 -6.417 6.233 1.00 0.00 O ATOM 697 CB ALA A 43 -12.420 -8.134 5.476 1.00 0.00 C ATOM 0 H ALA A 43 -12.827 -7.720 3.093 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.480 -8.645 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.471 -8.123 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.066 -9.108 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.731 -7.360 5.137 1.00 0.00 H new ATOM 703 N LEU A 44 -13.836 -5.441 4.628 1.00 0.00 N ATOM 704 CA LEU A 44 -14.098 -4.118 5.127 1.00 0.00 C ATOM 705 C LEU A 44 -15.269 -3.501 4.367 1.00 0.00 C ATOM 706 O LEU A 44 -16.415 -3.729 4.750 1.00 0.00 O ATOM 707 CB LEU A 44 -12.809 -3.273 5.079 1.00 0.00 C ATOM 708 CG LEU A 44 -11.897 -3.454 6.305 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.472 -3.034 5.941 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.381 -2.626 7.501 1.00 0.00 C ATOM 0 H LEU A 44 -13.295 -5.486 3.764 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.398 -4.157 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.249 -3.533 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.079 -2.221 4.992 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.923 -4.505 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.823 -3.161 6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.108 -3.653 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.468 -1.988 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.711 -2.781 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.388 -1.569 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.389 -2.938 7.775 1.00 0.00 H new ATOM 722 N LYS A 45 -15.007 -2.827 3.242 1.00 0.00 N ATOM 723 CA LYS A 45 -15.951 -1.993 2.486 1.00 0.00 C ATOM 724 C LYS A 45 -15.511 -1.779 1.027 1.00 0.00 C ATOM 725 O LYS A 45 -16.067 -0.918 0.343 1.00 0.00 O ATOM 726 CB LYS A 45 -16.097 -0.615 3.173 1.00 0.00 C ATOM 727 CG LYS A 45 -16.775 -0.606 4.553 1.00 0.00 C ATOM 728 CD LYS A 45 -15.845 -0.426 5.772 1.00 0.00 C ATOM 729 CE LYS A 45 -16.432 0.553 6.801 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.542 -0.048 7.563 1.00 0.00 N ATOM 0 H LYS A 45 -14.083 -2.849 2.811 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.904 -2.521 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.104 -0.179 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.664 0.039 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.514 0.195 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.319 -1.543 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.676 -1.393 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.874 -0.062 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.648 0.868 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.786 1.448 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.910 0.645 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.301 -0.326 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.199 -0.887 8.072 1.00 0.00 H new ATOM 744 N LEU A 46 -14.424 -2.424 0.594 1.00 0.00 N ATOM 745 CA LEU A 46 -13.694 -2.060 -0.624 1.00 0.00 C ATOM 746 C LEU A 46 -14.205 -2.925 -1.782 1.00 0.00 C ATOM 747 O LEU A 46 -15.159 -3.681 -1.623 1.00 0.00 O ATOM 748 CB LEU A 46 -12.164 -2.189 -0.421 1.00 0.00 C ATOM 749 CG LEU A 46 -11.510 -1.231 0.592 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.877 -1.610 2.027 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.991 -1.305 0.437 1.00 0.00 C ATOM 0 H LEU A 46 -14.022 -3.223 1.085 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.877 -1.013 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.949 -3.211 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.681 -2.042 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.872 -0.222 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.401 -0.916 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.959 -1.561 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.533 -2.623 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.519 -0.630 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.655 -2.325 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.714 -1.014 -0.576 1.00 0.00 H new ATOM 763 N SER A 47 -13.585 -2.822 -2.955 1.00 0.00 N ATOM 764 CA SER A 47 -13.857 -3.643 -4.126 1.00 0.00 C ATOM 765 C SER A 47 -12.495 -3.975 -4.729 1.00 0.00 C ATOM 766 O SER A 47 -11.577 -3.148 -4.669 1.00 0.00 O ATOM 767 CB SER A 47 -14.757 -2.840 -5.078 1.00 0.00 C ATOM 768 OG SER A 47 -15.174 -3.553 -6.229 1.00 0.00 O ATOM 0 H SER A 47 -12.849 -2.135 -3.120 1.00 0.00 H new ATOM 0 HA SER A 47 -14.384 -4.570 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.640 -2.509 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.223 -1.944 -5.394 1.00 0.00 H new ATOM 0 HG SER A 47 -15.743 -2.978 -6.782 1.00 0.00 H new ATOM 774 N GLU A 48 -12.344 -5.163 -5.315 1.00 0.00 N ATOM 775 CA GLU A 48 -11.069 -5.645 -5.853 1.00 0.00 C ATOM 776 C GLU A 48 -10.564 -4.741 -6.980 1.00 0.00 C ATOM 777 O GLU A 48 -9.358 -4.500 -7.098 1.00 0.00 O ATOM 778 CB GLU A 48 -11.232 -7.076 -6.370 1.00 0.00 C ATOM 779 CG GLU A 48 -11.473 -8.072 -5.233 1.00 0.00 C ATOM 780 CD GLU A 48 -11.619 -9.492 -5.770 1.00 0.00 C ATOM 781 OE1 GLU A 48 -10.711 -9.954 -6.495 1.00 0.00 O ATOM 782 OE2 GLU A 48 -12.643 -10.143 -5.459 1.00 0.00 O ATOM 0 H GLU A 48 -13.111 -5.826 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.334 -5.627 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.067 -7.116 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.338 -7.366 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.644 -8.030 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.373 -7.793 -4.685 1.00 0.00 H new ATOM 789 N VAL A 49 -11.502 -4.196 -7.762 1.00 0.00 N ATOM 790 CA VAL A 49 -11.235 -3.197 -8.784 1.00 0.00 C ATOM 791 C VAL A 49 -10.504 -2.008 -8.182 1.00 0.00 C ATOM 792 O VAL A 49 -9.564 -1.517 -8.792 1.00 0.00 O ATOM 793 CB VAL A 49 -12.553 -2.733 -9.428 1.00 0.00 C ATOM 794 CG1 VAL A 49 -12.318 -1.550 -10.375 1.00 0.00 C ATOM 795 CG2 VAL A 49 -13.226 -3.905 -10.150 1.00 0.00 C ATOM 0 H VAL A 49 -12.488 -4.448 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.604 -3.645 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.223 -2.387 -8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.266 -1.243 -10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.890 -0.717 -9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.630 -1.848 -11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.158 -3.567 -10.603 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.562 -4.283 -10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.438 -4.700 -9.435 1.00 0.00 H new ATOM 805 N GLN A 50 -10.953 -1.518 -7.030 1.00 0.00 N ATOM 806 CA GLN A 50 -10.400 -0.331 -6.425 1.00 0.00 C ATOM 807 C GLN A 50 -9.023 -0.637 -5.827 1.00 0.00 C ATOM 808 O GLN A 50 -8.096 0.164 -5.954 1.00 0.00 O ATOM 809 CB GLN A 50 -11.391 0.184 -5.367 1.00 0.00 C ATOM 810 CG GLN A 50 -11.685 1.682 -5.493 1.00 0.00 C ATOM 811 CD GLN A 50 -10.463 2.540 -5.815 1.00 0.00 C ATOM 812 OE1 GLN A 50 -10.334 3.030 -6.934 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.559 2.763 -4.880 1.00 0.00 N ATOM 0 H GLN A 50 -11.712 -1.941 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.254 0.449 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.325 -0.371 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.990 -0.019 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.432 1.829 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.125 2.033 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.672 2.353 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.747 3.345 -5.084 1.00 0.00 H new ATOM 822 N VAL A 51 -8.882 -1.800 -5.186 1.00 0.00 N ATOM 823 CA VAL A 51 -7.635 -2.242 -4.567 1.00 0.00 C ATOM 824 C VAL A 51 -6.503 -2.281 -5.614 1.00 0.00 C ATOM 825 O VAL A 51 -5.373 -1.883 -5.330 1.00 0.00 O ATOM 826 CB VAL A 51 -7.908 -3.580 -3.835 1.00 0.00 C ATOM 827 CG1 VAL A 51 -6.653 -4.300 -3.338 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.827 -3.362 -2.619 1.00 0.00 C ATOM 0 H VAL A 51 -9.644 -2.470 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.280 -1.540 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.378 -4.209 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.938 -5.226 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.006 -4.529 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.120 -3.659 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.004 -4.315 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.351 -2.672 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.777 -2.944 -2.951 1.00 0.00 H new ATOM 838 N LYS A 52 -6.824 -2.612 -6.871 1.00 0.00 N ATOM 839 CA LYS A 52 -5.909 -2.603 -8.017 1.00 0.00 C ATOM 840 C LYS A 52 -5.022 -1.351 -8.092 1.00 0.00 C ATOM 841 O LYS A 52 -3.839 -1.453 -8.424 1.00 0.00 O ATOM 842 CB LYS A 52 -6.762 -2.697 -9.290 1.00 0.00 C ATOM 843 CG LYS A 52 -5.955 -2.930 -10.568 1.00 0.00 C ATOM 844 CD LYS A 52 -6.531 -2.182 -11.777 1.00 0.00 C ATOM 845 CE LYS A 52 -7.742 -2.874 -12.397 1.00 0.00 C ATOM 846 NZ LYS A 52 -8.093 -2.279 -13.709 1.00 0.00 N ATOM 0 H LYS A 52 -7.767 -2.905 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.229 -3.448 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.480 -3.509 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.336 -1.777 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.925 -2.611 -10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.928 -3.998 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.815 -1.175 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.754 -2.078 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.531 -3.936 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.593 -2.796 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.920 -2.772 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.317 -1.271 -13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.288 -2.376 -14.361 1.00 0.00 H new ATOM 860 N ILE A 53 -5.587 -0.159 -7.894 1.00 0.00 N ATOM 861 CA ILE A 53 -4.912 1.093 -8.229 1.00 0.00 C ATOM 862 C ILE A 53 -4.013 1.533 -7.075 1.00 0.00 C ATOM 863 O ILE A 53 -3.024 2.234 -7.293 1.00 0.00 O ATOM 864 CB ILE A 53 -5.940 2.166 -8.634 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.834 1.658 -9.785 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.282 3.471 -9.109 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.239 1.315 -9.296 1.00 0.00 C ATOM 0 H ILE A 53 -6.519 -0.036 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.265 0.940 -9.093 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.525 2.366 -7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.895 2.419 -10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.380 0.776 -10.237 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.055 4.190 -9.381 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.670 3.883 -8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.654 3.267 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.840 0.961 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.180 0.535 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.702 2.204 -8.868 1.00 0.00 H new ATOM 879 N TRP A 54 -4.273 1.069 -5.858 1.00 0.00 N ATOM 880 CA TRP A 54 -3.389 1.283 -4.726 1.00 0.00 C ATOM 881 C TRP A 54 -2.000 0.713 -5.040 1.00 0.00 C ATOM 882 O TRP A 54 -0.979 1.323 -4.708 1.00 0.00 O ATOM 883 CB TRP A 54 -4.042 0.612 -3.513 1.00 0.00 C ATOM 884 CG TRP A 54 -3.655 1.084 -2.144 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.316 2.034 -1.446 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.656 0.544 -1.228 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.802 2.128 -0.173 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.770 1.237 0.015 1.00 0.00 C ATOM 889 CE3 TRP A 54 -1.691 -0.484 -1.303 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -1.955 0.942 1.117 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -0.872 -0.792 -0.198 1.00 0.00 C ATOM 892 CH2 TRP A 54 -0.999 -0.083 1.011 1.00 0.00 C ATOM 0 H TRP A 54 -5.109 0.531 -5.631 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.246 2.342 -4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.121 0.727 -3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.829 -0.455 -3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.129 2.632 -1.831 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.142 2.774 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.579 -1.043 -2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.061 1.497 2.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.139 -1.581 -0.280 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.366 -0.325 1.852 1.00 0.00 H new ATOM 903 N PHE A 55 -1.956 -0.412 -5.761 1.00 0.00 N ATOM 904 CA PHE A 55 -0.718 -0.990 -6.255 1.00 0.00 C ATOM 905 C PHE A 55 -0.135 -0.192 -7.408 1.00 0.00 C ATOM 906 O PHE A 55 1.083 -0.123 -7.509 1.00 0.00 O ATOM 907 CB PHE A 55 -0.947 -2.407 -6.764 1.00 0.00 C ATOM 908 CG PHE A 55 -1.605 -3.321 -5.768 1.00 0.00 C ATOM 909 CD1 PHE A 55 -1.011 -3.537 -4.513 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.825 -3.933 -6.090 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.664 -4.330 -3.561 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.469 -4.737 -5.141 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.902 -4.922 -3.868 1.00 0.00 C ATOM 0 H PHE A 55 -2.788 -0.945 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.026 -0.982 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.563 -2.363 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.012 -2.836 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.054 -3.093 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.266 -3.785 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.217 -4.487 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.405 -5.217 -5.388 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.416 -5.517 -3.128 1.00 0.00 H new ATOM 923 N GLN A 56 -0.945 0.383 -8.308 1.00 0.00 N ATOM 924 CA GLN A 56 -0.438 1.089 -9.476 1.00 0.00 C ATOM 925 C GLN A 56 0.564 2.174 -9.059 1.00 0.00 C ATOM 926 O GLN A 56 1.626 2.291 -9.677 1.00 0.00 O ATOM 927 CB GLN A 56 -1.639 1.644 -10.239 1.00 0.00 C ATOM 928 CG GLN A 56 -1.343 2.079 -11.678 1.00 0.00 C ATOM 929 CD GLN A 56 -2.619 2.642 -12.279 1.00 0.00 C ATOM 930 OE1 GLN A 56 -2.694 3.810 -12.646 1.00 0.00 O ATOM 931 NE2 GLN A 56 -3.654 1.820 -12.325 1.00 0.00 N ATOM 0 H GLN A 56 -1.963 0.368 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 56 0.114 0.418 -10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.421 0.885 -10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.036 2.498 -9.691 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.553 2.830 -11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.988 1.232 -12.265 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.553 0.855 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.553 2.151 -12.675 1.00 0.00 H new ATOM 940 N ASN A 57 0.274 2.877 -7.958 1.00 0.00 N ATOM 941 CA ASN A 57 1.195 3.795 -7.305 1.00 0.00 C ATOM 942 C ASN A 57 2.476 3.050 -6.942 1.00 0.00 C ATOM 943 O ASN A 57 3.535 3.294 -7.517 1.00 0.00 O ATOM 944 CB ASN A 57 0.566 4.428 -6.055 1.00 0.00 C ATOM 945 CG ASN A 57 -0.314 5.642 -6.301 1.00 0.00 C ATOM 946 OD1 ASN A 57 -0.433 6.488 -5.420 1.00 0.00 O ATOM 947 ND2 ASN A 57 -0.997 5.750 -7.423 1.00 0.00 N ATOM 0 H ASN A 57 -0.631 2.817 -7.491 1.00 0.00 H new ATOM 0 HA ASN A 57 1.427 4.605 -7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.028 3.669 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.367 4.715 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.628 6.539 -7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.895 5.044 -8.152 1.00 0.00 H new ATOM 954 N ARG A 58 2.401 2.109 -6.002 1.00 0.00 N ATOM 955 CA ARG A 58 3.516 1.296 -5.507 1.00 0.00 C ATOM 956 C ARG A 58 4.021 0.253 -6.520 1.00 0.00 C ATOM 957 O ARG A 58 4.573 -0.775 -6.120 1.00 0.00 O ATOM 958 CB ARG A 58 3.115 0.683 -4.150 1.00 0.00 C ATOM 959 CG ARG A 58 3.011 1.743 -3.038 1.00 0.00 C ATOM 960 CD ARG A 58 4.391 2.203 -2.527 1.00 0.00 C ATOM 961 NE ARG A 58 4.304 3.407 -1.684 1.00 0.00 N ATOM 962 CZ ARG A 58 4.221 4.672 -2.112 1.00 0.00 C ATOM 963 NH1 ARG A 58 4.131 4.943 -3.411 1.00 0.00 N ATOM 964 NH2 ARG A 58 4.237 5.666 -1.242 1.00 0.00 N ATOM 0 H ARG A 58 1.520 1.880 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 58 4.380 1.945 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.157 0.173 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.849 -0.071 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.461 2.606 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.437 1.336 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.852 1.396 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.042 2.405 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 58 4.307 3.263 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.125 4.183 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.068 5.911 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.313 5.469 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.174 6.630 -1.568 1.00 0.00 H new