USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 980 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 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 329 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.061) USER MOD Single : A 340 MET CE :methyl 141:sc= -0.401 (180deg=-1.5) USER MOD Single : A 345 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.002) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN :FLIP amide:sc= -0.645 F(o=-2.3,f=-0.64) USER MOD Single : B 327 TYR OH : rot 165:sc=-0.00434 USER MOD Single : B 329 THR OG1 : rot 180:sc= 0 USER MOD Single : B 331 GLN : amide:sc= 0.0409 X(o=0.041,f=-0.077) USER MOD Single : B 340 MET CE :methyl 142:sc= -0.379 (180deg=-0.827) USER MOD Single : B 345 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.026) USER MOD Single : B 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 GLN :FLIP amide:sc= -1.11 F(o=-2.9!,f=-1.1) USER MOD Single : C 327 TYR OH : rot 180:sc= 0 USER MOD Single : C 329 THR OG1 : rot 180:sc= 0 USER MOD Single : C 331 GLN : amide:sc= -4.93 X(o=-4.9,f=-4.6) USER MOD Single : C 340 MET CE :methyl -126:sc= -0.0561 (180deg=-0.457) USER MOD Single : C 345 ASN :FLIP amide:sc= -1.21 F(o=-1.8!,f=-1.2) USER MOD Single : C 351 LYS NZ :NH3+ 180:sc=-0.00453 (180deg=-0.00453) USER MOD Single : D 327 TYR OH : rot 165:sc= 0 USER MOD Single : D 329 THR OG1 : rot 180:sc= 0 USER MOD Single : D 331 GLN : amide:sc= 0.0394 X(o=0.039,f=-0.11) USER MOD Single : D 340 MET CE :methyl 141:sc= -0.22 (180deg=-0.403) USER MOD Single : D 345 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.032) USER MOD Single : D 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 354 GLN :FLIP amide:sc= -1.11 F(o=-3.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 121 N GLU A 326 15.839 7.355 11.510 1.00 0.48 N ATOM 122 CA GLU A 326 16.844 6.357 11.053 1.00 0.45 C ATOM 123 C GLU A 326 16.822 6.278 9.525 1.00 0.39 C ATOM 124 O GLU A 326 16.205 7.087 8.862 1.00 0.38 O ATOM 125 CB GLU A 326 16.508 4.986 11.643 1.00 0.46 C ATOM 126 CG GLU A 326 16.781 4.999 13.149 1.00 0.51 C ATOM 127 CD GLU A 326 18.165 4.407 13.422 1.00 1.39 C ATOM 128 OE1 GLU A 326 18.617 3.611 12.617 1.00 2.13 O ATOM 129 OE2 GLU A 326 18.750 4.762 14.433 1.00 2.13 O ATOM 0 HA GLU A 326 17.837 6.660 11.387 1.00 0.45 H new ATOM 0 HB2 GLU A 326 15.462 4.743 11.454 1.00 0.46 H new ATOM 0 HB3 GLU A 326 17.107 4.214 11.160 1.00 0.46 H new ATOM 0 HG2 GLU A 326 16.728 6.019 13.530 1.00 0.51 H new ATOM 0 HG3 GLU A 326 16.018 4.423 13.673 1.00 0.51 H new ATOM 136 N TYR A 327 17.492 5.311 8.961 1.00 0.36 N ATOM 137 CA TYR A 327 17.509 5.185 7.476 1.00 0.31 C ATOM 138 C TYR A 327 17.630 3.711 7.084 1.00 0.28 C ATOM 139 O TYR A 327 18.664 3.096 7.256 1.00 0.30 O ATOM 140 CB TYR A 327 18.699 5.961 6.909 1.00 0.34 C ATOM 141 CG TYR A 327 18.353 7.429 6.817 1.00 0.36 C ATOM 142 CD1 TYR A 327 18.612 8.282 7.898 1.00 0.41 C ATOM 143 CD2 TYR A 327 17.775 7.936 5.646 1.00 0.36 C ATOM 144 CE1 TYR A 327 18.293 9.644 7.807 1.00 0.45 C ATOM 145 CE2 TYR A 327 17.455 9.297 5.555 1.00 0.40 C ATOM 146 CZ TYR A 327 17.715 10.152 6.635 1.00 0.44 C ATOM 147 OH TYR A 327 17.402 11.493 6.545 1.00 0.48 O ATOM 0 H TYR A 327 18.028 4.603 9.463 1.00 0.36 H new ATOM 0 HA TYR A 327 16.582 5.592 7.071 1.00 0.31 H new ATOM 0 HB2 TYR A 327 19.572 5.823 7.546 1.00 0.34 H new ATOM 0 HB3 TYR A 327 18.960 5.576 5.923 1.00 0.34 H new ATOM 0 HD1 TYR A 327 19.057 7.890 8.801 1.00 0.41 H new ATOM 0 HD2 TYR A 327 17.576 7.278 4.813 1.00 0.36 H new ATOM 0 HE1 TYR A 327 18.492 10.302 8.640 1.00 0.45 H new ATOM 0 HE2 TYR A 327 17.008 9.687 4.653 1.00 0.40 H new ATOM 0 HH TYR A 327 17.010 11.679 5.666 1.00 0.48 H new ATOM 157 N PHE A 328 16.584 3.145 6.552 1.00 0.25 N ATOM 158 CA PHE A 328 16.634 1.715 6.142 1.00 0.23 C ATOM 159 C PHE A 328 16.517 1.630 4.620 1.00 0.22 C ATOM 160 O PHE A 328 16.605 2.623 3.926 1.00 0.22 O ATOM 161 CB PHE A 328 15.475 0.957 6.792 1.00 0.22 C ATOM 162 CG PHE A 328 15.340 1.391 8.232 1.00 0.24 C ATOM 163 CD1 PHE A 328 14.681 2.587 8.546 1.00 0.25 C ATOM 164 CD2 PHE A 328 15.878 0.598 9.254 1.00 0.28 C ATOM 165 CE1 PHE A 328 14.562 2.990 9.884 1.00 0.28 C ATOM 166 CE2 PHE A 328 15.759 1.001 10.590 1.00 0.31 C ATOM 167 CZ PHE A 328 15.100 2.197 10.905 1.00 0.30 C ATOM 0 H PHE A 328 15.694 3.613 6.383 1.00 0.25 H new ATOM 0 HA PHE A 328 17.576 1.270 6.462 1.00 0.23 H new ATOM 0 HB2 PHE A 328 14.549 1.154 6.252 1.00 0.22 H new ATOM 0 HB3 PHE A 328 15.653 -0.117 6.739 1.00 0.22 H new ATOM 0 HD1 PHE A 328 14.265 3.198 7.758 1.00 0.25 H new ATOM 0 HD2 PHE A 328 16.385 -0.324 9.012 1.00 0.28 H new ATOM 0 HE1 PHE A 328 14.055 3.912 10.127 1.00 0.28 H new ATOM 0 HE2 PHE A 328 16.175 0.390 11.377 1.00 0.31 H new ATOM 0 HZ PHE A 328 15.007 2.507 11.935 1.00 0.30 H new ATOM 177 N THR A 329 16.325 0.454 4.090 1.00 0.21 N ATOM 178 CA THR A 329 16.210 0.320 2.612 1.00 0.20 C ATOM 179 C THR A 329 15.392 -0.926 2.272 1.00 0.20 C ATOM 180 O THR A 329 15.068 -1.722 3.130 1.00 0.22 O ATOM 181 CB THR A 329 17.608 0.196 2.002 1.00 0.21 C ATOM 182 OG1 THR A 329 18.339 -0.803 2.699 1.00 0.21 O ATOM 183 CG2 THR A 329 18.335 1.537 2.115 1.00 0.21 C ATOM 0 H THR A 329 16.243 -0.417 4.615 1.00 0.21 H new ATOM 0 HA THR A 329 15.712 1.200 2.206 1.00 0.20 H new ATOM 0 HB THR A 329 17.525 -0.082 0.951 1.00 0.21 H new ATOM 0 HG1 THR A 329 19.234 -0.885 2.309 1.00 0.21 H new ATOM 0 HG21 THR A 329 19.331 1.449 1.681 1.00 0.21 H new ATOM 0 HG22 THR A 329 17.772 2.302 1.580 1.00 0.21 H new ATOM 0 HG23 THR A 329 18.421 1.817 3.165 1.00 0.21 H new ATOM 191 N LEU A 330 15.055 -1.100 1.024 1.00 0.19 N ATOM 192 CA LEU A 330 14.257 -2.292 0.628 1.00 0.20 C ATOM 193 C LEU A 330 14.599 -2.676 -0.813 1.00 0.19 C ATOM 194 O LEU A 330 14.591 -1.851 -1.705 1.00 0.19 O ATOM 195 CB LEU A 330 12.768 -1.958 0.727 1.00 0.20 C ATOM 196 CG LEU A 330 11.941 -3.165 0.287 1.00 0.21 C ATOM 197 CD1 LEU A 330 12.008 -4.251 1.364 1.00 0.28 C ATOM 198 CD2 LEU A 330 10.486 -2.737 0.085 1.00 0.22 C ATOM 0 H LEU A 330 15.298 -0.467 0.262 1.00 0.19 H new ATOM 0 HA LEU A 330 14.489 -3.126 1.291 1.00 0.20 H new ATOM 0 HB2 LEU A 330 12.514 -1.684 1.751 1.00 0.20 H new ATOM 0 HB3 LEU A 330 12.536 -1.097 0.100 1.00 0.20 H new ATOM 0 HG LEU A 330 12.339 -3.557 -0.649 1.00 0.21 H new ATOM 0 HD11 LEU A 330 11.418 -5.112 1.050 1.00 0.28 H new ATOM 0 HD12 LEU A 330 13.044 -4.555 1.510 1.00 0.28 H new ATOM 0 HD13 LEU A 330 11.609 -3.860 2.300 1.00 0.28 H new ATOM 0 HD21 LEU A 330 9.894 -3.597 -0.229 1.00 0.22 H new ATOM 0 HD22 LEU A 330 10.089 -2.345 1.021 1.00 0.22 H new ATOM 0 HD23 LEU A 330 10.437 -1.964 -0.681 1.00 0.22 H new ATOM 210 N GLN A 331 14.901 -3.924 -1.049 1.00 0.21 N ATOM 211 CA GLN A 331 15.243 -4.356 -2.433 1.00 0.22 C ATOM 212 C GLN A 331 13.963 -4.728 -3.183 1.00 0.22 C ATOM 213 O GLN A 331 13.295 -5.687 -2.852 1.00 0.24 O ATOM 214 CB GLN A 331 16.171 -5.572 -2.375 1.00 0.24 C ATOM 215 CG GLN A 331 16.804 -5.797 -3.750 1.00 0.30 C ATOM 216 CD GLN A 331 18.293 -5.453 -3.685 1.00 0.43 C ATOM 217 OE1 GLN A 331 19.029 -6.034 -2.913 1.00 0.91 O ATOM 218 NE2 GLN A 331 18.770 -4.525 -4.469 1.00 0.29 N ATOM 0 H GLN A 331 14.926 -4.661 -0.344 1.00 0.21 H new ATOM 0 HA GLN A 331 15.745 -3.540 -2.953 1.00 0.22 H new ATOM 0 HB2 GLN A 331 16.948 -5.415 -1.627 1.00 0.24 H new ATOM 0 HB3 GLN A 331 15.611 -6.456 -2.072 1.00 0.24 H new ATOM 0 HG2 GLN A 331 16.672 -6.834 -4.058 1.00 0.30 H new ATOM 0 HG3 GLN A 331 16.308 -5.177 -4.497 1.00 0.30 H new ATOM 0 HE21 GLN A 331 18.151 -4.037 -5.117 1.00 0.29 H new ATOM 0 HE22 GLN A 331 19.761 -4.287 -4.434 1.00 0.29 H new ATOM 227 N ILE A 332 13.616 -3.980 -4.195 1.00 0.22 N ATOM 228 CA ILE A 332 12.379 -4.299 -4.962 1.00 0.23 C ATOM 229 C ILE A 332 12.759 -4.965 -6.286 1.00 0.24 C ATOM 230 O ILE A 332 13.128 -4.308 -7.240 1.00 0.26 O ATOM 231 CB ILE A 332 11.605 -3.011 -5.246 1.00 0.22 C ATOM 232 CG1 ILE A 332 11.123 -2.406 -3.927 1.00 0.21 C ATOM 233 CG2 ILE A 332 10.399 -3.327 -6.134 1.00 0.25 C ATOM 234 CD1 ILE A 332 10.615 -0.984 -4.171 1.00 0.24 C ATOM 0 H ILE A 332 14.134 -3.165 -4.523 1.00 0.22 H new ATOM 0 HA ILE A 332 11.755 -4.976 -4.378 1.00 0.23 H new ATOM 0 HB ILE A 332 12.255 -2.300 -5.756 1.00 0.22 H new ATOM 0 HG12 ILE A 332 10.328 -3.019 -3.503 1.00 0.21 H new ATOM 0 HG13 ILE A 332 11.937 -2.393 -3.202 1.00 0.21 H new ATOM 0 HG21 ILE A 332 9.846 -2.410 -6.337 1.00 0.25 H new ATOM 0 HG22 ILE A 332 10.742 -3.759 -7.074 1.00 0.25 H new ATOM 0 HG23 ILE A 332 9.748 -4.037 -5.624 1.00 0.25 H new ATOM 0 HD11 ILE A 332 10.272 -0.554 -3.230 1.00 0.24 H new ATOM 0 HD12 ILE A 332 11.422 -0.374 -4.576 1.00 0.24 H new ATOM 0 HD13 ILE A 332 9.788 -1.010 -4.881 1.00 0.24 H new ATOM 246 N ARG A 333 12.668 -6.265 -6.355 1.00 0.26 N ATOM 247 CA ARG A 333 13.019 -6.969 -7.619 1.00 0.28 C ATOM 248 C ARG A 333 11.937 -6.700 -8.663 1.00 0.27 C ATOM 249 O ARG A 333 10.770 -6.583 -8.346 1.00 0.27 O ATOM 250 CB ARG A 333 13.114 -8.473 -7.359 1.00 0.32 C ATOM 251 CG ARG A 333 13.975 -8.723 -6.120 1.00 0.42 C ATOM 252 CD ARG A 333 14.149 -10.229 -5.917 1.00 0.69 C ATOM 253 NE ARG A 333 14.194 -10.531 -4.458 1.00 1.44 N ATOM 254 CZ ARG A 333 14.037 -11.759 -4.039 1.00 1.96 C ATOM 255 NH1 ARG A 333 13.836 -12.725 -4.893 1.00 2.17 N ATOM 256 NH2 ARG A 333 14.082 -12.019 -2.760 1.00 2.92 N ATOM 0 H ARG A 333 12.366 -6.869 -5.591 1.00 0.26 H new ATOM 0 HA ARG A 333 13.979 -6.605 -7.984 1.00 0.28 H new ATOM 0 HB2 ARG A 333 12.118 -8.891 -7.213 1.00 0.32 H new ATOM 0 HB3 ARG A 333 13.547 -8.976 -8.224 1.00 0.32 H new ATOM 0 HG2 ARG A 333 14.948 -8.246 -6.238 1.00 0.42 H new ATOM 0 HG3 ARG A 333 13.506 -8.278 -5.242 1.00 0.42 H new ATOM 0 HD2 ARG A 333 13.325 -10.768 -6.386 1.00 0.69 H new ATOM 0 HD3 ARG A 333 15.066 -10.568 -6.398 1.00 0.69 H new ATOM 0 HE ARG A 333 14.347 -9.779 -3.786 1.00 1.44 H new ATOM 0 HH11 ARG A 333 13.801 -12.523 -5.892 1.00 2.17 H new ATOM 0 HH12 ARG A 333 13.714 -13.682 -4.561 1.00 2.17 H new ATOM 0 HH21 ARG A 333 14.239 -11.265 -2.091 1.00 2.92 H new ATOM 0 HH22 ARG A 333 13.960 -12.976 -2.430 1.00 2.92 H new ATOM 270 N GLY A 334 12.314 -6.597 -9.906 1.00 0.29 N ATOM 271 CA GLY A 334 11.306 -6.332 -10.969 1.00 0.31 C ATOM 272 C GLY A 334 11.016 -4.833 -11.033 1.00 0.33 C ATOM 273 O GLY A 334 10.598 -4.228 -10.066 1.00 0.40 O ATOM 0 H GLY A 334 13.277 -6.685 -10.232 1.00 0.29 H new ATOM 0 HA2 GLY A 334 11.676 -6.683 -11.932 1.00 0.31 H new ATOM 0 HA3 GLY A 334 10.388 -6.882 -10.761 1.00 0.31 H new ATOM 277 N ARG A 335 11.238 -4.229 -12.166 1.00 0.30 N ATOM 278 CA ARG A 335 10.981 -2.768 -12.300 1.00 0.34 C ATOM 279 C ARG A 335 9.474 -2.502 -12.243 1.00 0.32 C ATOM 280 O ARG A 335 9.035 -1.454 -11.815 1.00 0.30 O ATOM 281 CB ARG A 335 11.534 -2.285 -13.643 1.00 0.38 C ATOM 282 CG ARG A 335 11.735 -0.769 -13.608 1.00 0.47 C ATOM 283 CD ARG A 335 11.252 -0.169 -14.929 1.00 0.94 C ATOM 284 NE ARG A 335 12.327 -0.299 -15.964 1.00 1.54 N ATOM 285 CZ ARG A 335 13.532 0.156 -15.749 1.00 2.11 C ATOM 286 NH1 ARG A 335 13.780 0.907 -14.711 1.00 2.43 N ATOM 287 NH2 ARG A 335 14.482 -0.099 -16.608 1.00 3.01 N ATOM 0 H ARG A 335 11.588 -4.686 -13.008 1.00 0.30 H new ATOM 0 HA ARG A 335 11.470 -2.234 -11.485 1.00 0.34 H new ATOM 0 HB2 ARG A 335 12.481 -2.781 -13.856 1.00 0.38 H new ATOM 0 HB3 ARG A 335 10.847 -2.551 -14.446 1.00 0.38 H new ATOM 0 HG2 ARG A 335 11.183 -0.336 -12.774 1.00 0.47 H new ATOM 0 HG3 ARG A 335 12.787 -0.533 -13.450 1.00 0.47 H new ATOM 0 HD2 ARG A 335 10.348 -0.679 -15.263 1.00 0.94 H new ATOM 0 HD3 ARG A 335 10.992 0.880 -14.790 1.00 0.94 H new ATOM 0 HE ARG A 335 12.114 -0.751 -16.853 1.00 1.54 H new ATOM 0 HH11 ARG A 335 13.030 1.142 -14.061 1.00 2.43 H new ATOM 0 HH12 ARG A 335 14.724 1.259 -14.550 1.00 2.43 H new ATOM 0 HH21 ARG A 335 14.281 -0.651 -17.442 1.00 3.01 H new ATOM 0 HH22 ARG A 335 15.425 0.254 -16.445 1.00 3.01 H new ATOM 301 N GLU A 336 8.679 -3.444 -12.675 1.00 0.35 N ATOM 302 CA GLU A 336 7.202 -3.242 -12.650 1.00 0.38 C ATOM 303 C GLU A 336 6.735 -2.985 -11.214 1.00 0.38 C ATOM 304 O GLU A 336 6.262 -1.915 -10.888 1.00 0.39 O ATOM 305 CB GLU A 336 6.509 -4.493 -13.196 1.00 0.45 C ATOM 306 CG GLU A 336 5.157 -4.104 -13.796 1.00 1.34 C ATOM 307 CD GLU A 336 4.657 -5.231 -14.702 1.00 1.73 C ATOM 308 OE1 GLU A 336 5.426 -6.143 -14.960 1.00 2.21 O ATOM 309 OE2 GLU A 336 3.514 -5.163 -15.122 1.00 2.29 O ATOM 0 H GLU A 336 8.988 -4.343 -13.044 1.00 0.35 H new ATOM 0 HA GLU A 336 6.947 -2.382 -13.268 1.00 0.38 H new ATOM 0 HB2 GLU A 336 7.133 -4.966 -13.954 1.00 0.45 H new ATOM 0 HB3 GLU A 336 6.369 -5.222 -12.398 1.00 0.45 H new ATOM 0 HG2 GLU A 336 4.435 -3.915 -13.001 1.00 1.34 H new ATOM 0 HG3 GLU A 336 5.253 -3.180 -14.366 1.00 1.34 H new ATOM 316 N ARG A 337 6.862 -3.959 -10.354 1.00 0.43 N ATOM 317 CA ARG A 337 6.422 -3.766 -8.942 1.00 0.50 C ATOM 318 C ARG A 337 7.193 -2.597 -8.328 1.00 0.40 C ATOM 319 O ARG A 337 6.698 -1.894 -7.471 1.00 0.38 O ATOM 320 CB ARG A 337 6.704 -5.036 -8.137 1.00 0.64 C ATOM 321 CG ARG A 337 5.823 -6.179 -8.649 1.00 0.77 C ATOM 322 CD ARG A 337 5.342 -7.043 -7.476 1.00 1.10 C ATOM 323 NE ARG A 337 6.263 -6.894 -6.299 1.00 1.39 N ATOM 324 CZ ARG A 337 7.558 -7.054 -6.415 1.00 2.18 C ATOM 325 NH1 ARG A 337 8.077 -7.508 -7.523 1.00 2.72 N ATOM 326 NH2 ARG A 337 8.332 -6.803 -5.395 1.00 2.93 N ATOM 0 H ARG A 337 7.250 -4.878 -10.567 1.00 0.43 H new ATOM 0 HA ARG A 337 5.353 -3.554 -8.921 1.00 0.50 H new ATOM 0 HB2 ARG A 337 7.756 -5.308 -8.225 1.00 0.64 H new ATOM 0 HB3 ARG A 337 6.508 -4.859 -7.080 1.00 0.64 H new ATOM 0 HG2 ARG A 337 4.966 -5.774 -9.187 1.00 0.77 H new ATOM 0 HG3 ARG A 337 6.383 -6.791 -9.356 1.00 0.77 H new ATOM 0 HD2 ARG A 337 4.331 -6.751 -7.193 1.00 1.10 H new ATOM 0 HD3 ARG A 337 5.299 -8.089 -7.781 1.00 1.10 H new ATOM 0 HE ARG A 337 5.870 -6.662 -5.387 1.00 1.39 H new ATOM 0 HH11 ARG A 337 7.473 -7.742 -8.311 1.00 2.72 H new ATOM 0 HH12 ARG A 337 9.087 -7.628 -7.601 1.00 2.72 H new ATOM 0 HH21 ARG A 337 7.928 -6.484 -4.514 1.00 2.93 H new ATOM 0 HH22 ARG A 337 9.341 -6.925 -5.478 1.00 2.93 H new ATOM 340 N PHE A 338 8.405 -2.389 -8.761 1.00 0.38 N ATOM 341 CA PHE A 338 9.213 -1.270 -8.204 1.00 0.34 C ATOM 342 C PHE A 338 8.438 0.042 -8.338 1.00 0.28 C ATOM 343 O PHE A 338 8.177 0.719 -7.367 1.00 0.27 O ATOM 344 CB PHE A 338 10.531 -1.168 -8.976 1.00 0.35 C ATOM 345 CG PHE A 338 11.275 0.071 -8.544 1.00 0.33 C ATOM 346 CD1 PHE A 338 11.758 0.178 -7.233 1.00 0.33 C ATOM 347 CD2 PHE A 338 11.484 1.115 -9.454 1.00 0.36 C ATOM 348 CE1 PHE A 338 12.450 1.328 -6.832 1.00 0.34 C ATOM 349 CE2 PHE A 338 12.175 2.267 -9.053 1.00 0.37 C ATOM 350 CZ PHE A 338 12.659 2.373 -7.743 1.00 0.35 C ATOM 0 H PHE A 338 8.871 -2.946 -9.477 1.00 0.38 H new ATOM 0 HA PHE A 338 9.419 -1.458 -7.150 1.00 0.34 H new ATOM 0 HB2 PHE A 338 11.141 -2.053 -8.793 1.00 0.35 H new ATOM 0 HB3 PHE A 338 10.335 -1.132 -10.048 1.00 0.35 H new ATOM 0 HD1 PHE A 338 11.597 -0.627 -6.531 1.00 0.33 H new ATOM 0 HD2 PHE A 338 11.113 1.033 -10.465 1.00 0.36 H new ATOM 0 HE1 PHE A 338 12.822 1.410 -5.822 1.00 0.34 H new ATOM 0 HE2 PHE A 338 12.334 3.073 -9.754 1.00 0.37 H new ATOM 0 HZ PHE A 338 13.193 3.260 -7.435 1.00 0.35 H new ATOM 360 N GLU A 339 8.072 0.408 -9.535 1.00 0.28 N ATOM 361 CA GLU A 339 7.319 1.681 -9.732 1.00 0.28 C ATOM 362 C GLU A 339 6.114 1.733 -8.787 1.00 0.25 C ATOM 363 O GLU A 339 5.729 2.785 -8.318 1.00 0.24 O ATOM 364 CB GLU A 339 6.830 1.762 -11.180 1.00 0.34 C ATOM 365 CG GLU A 339 8.004 2.113 -12.096 1.00 0.38 C ATOM 366 CD GLU A 339 7.491 2.894 -13.307 1.00 1.18 C ATOM 367 OE1 GLU A 339 6.653 2.362 -14.019 1.00 1.89 O ATOM 368 OE2 GLU A 339 7.943 4.010 -13.504 1.00 1.97 O ATOM 0 H GLU A 339 8.262 -0.119 -10.387 1.00 0.28 H new ATOM 0 HA GLU A 339 7.978 2.521 -9.516 1.00 0.28 H new ATOM 0 HB2 GLU A 339 6.392 0.810 -11.481 1.00 0.34 H new ATOM 0 HB3 GLU A 339 6.047 2.515 -11.269 1.00 0.34 H new ATOM 0 HG2 GLU A 339 8.739 2.707 -11.552 1.00 0.38 H new ATOM 0 HG3 GLU A 339 8.508 1.204 -12.423 1.00 0.38 H new ATOM 375 N MET A 340 5.508 0.611 -8.514 1.00 0.24 N ATOM 376 CA MET A 340 4.321 0.604 -7.611 1.00 0.22 C ATOM 377 C MET A 340 4.722 1.057 -6.204 1.00 0.19 C ATOM 378 O MET A 340 4.111 1.936 -5.628 1.00 0.19 O ATOM 379 CB MET A 340 3.743 -0.812 -7.544 1.00 0.24 C ATOM 380 CG MET A 340 2.364 -0.770 -6.882 1.00 0.27 C ATOM 381 SD MET A 340 1.726 -2.455 -6.711 1.00 0.29 S ATOM 382 CE MET A 340 2.357 -2.767 -5.044 1.00 0.31 C ATOM 0 H MET A 340 5.783 -0.302 -8.877 1.00 0.24 H new ATOM 0 HA MET A 340 3.572 1.292 -8.004 1.00 0.22 H new ATOM 0 HB2 MET A 340 3.664 -1.232 -8.547 1.00 0.24 H new ATOM 0 HB3 MET A 340 4.410 -1.462 -6.978 1.00 0.24 H new ATOM 0 HG2 MET A 340 2.433 -0.295 -5.904 1.00 0.27 H new ATOM 0 HG3 MET A 340 1.679 -0.169 -7.481 1.00 0.27 H new ATOM 0 HE1 MET A 340 1.617 -3.329 -4.474 1.00 0.31 H new ATOM 0 HE2 MET A 340 3.280 -3.343 -5.106 1.00 0.31 H new ATOM 0 HE3 MET A 340 2.554 -1.818 -4.546 1.00 0.31 H new ATOM 392 N PHE A 341 5.735 0.461 -5.641 1.00 0.16 N ATOM 393 CA PHE A 341 6.163 0.854 -4.267 1.00 0.14 C ATOM 394 C PHE A 341 6.607 2.320 -4.255 1.00 0.15 C ATOM 395 O PHE A 341 6.215 3.089 -3.400 1.00 0.15 O ATOM 396 CB PHE A 341 7.329 -0.034 -3.826 1.00 0.14 C ATOM 397 CG PHE A 341 6.800 -1.375 -3.376 1.00 0.14 C ATOM 398 CD1 PHE A 341 6.063 -1.474 -2.189 1.00 0.17 C ATOM 399 CD2 PHE A 341 7.047 -2.520 -4.146 1.00 0.15 C ATOM 400 CE1 PHE A 341 5.573 -2.719 -1.770 1.00 0.18 C ATOM 401 CE2 PHE A 341 6.557 -3.764 -3.726 1.00 0.17 C ATOM 402 CZ PHE A 341 5.820 -3.864 -2.539 1.00 0.17 C ATOM 0 H PHE A 341 6.286 -0.281 -6.072 1.00 0.16 H new ATOM 0 HA PHE A 341 5.325 0.730 -3.582 1.00 0.14 H new ATOM 0 HB2 PHE A 341 8.031 -0.166 -4.649 1.00 0.14 H new ATOM 0 HB3 PHE A 341 7.877 0.444 -3.014 1.00 0.14 H new ATOM 0 HD1 PHE A 341 5.872 -0.591 -1.597 1.00 0.17 H new ATOM 0 HD2 PHE A 341 7.614 -2.444 -5.062 1.00 0.15 H new ATOM 0 HE1 PHE A 341 5.005 -2.796 -0.855 1.00 0.18 H new ATOM 0 HE2 PHE A 341 6.748 -4.647 -4.318 1.00 0.17 H new ATOM 0 HZ PHE A 341 5.442 -4.823 -2.217 1.00 0.17 H new ATOM 412 N ARG A 342 7.426 2.710 -5.191 1.00 0.17 N ATOM 413 CA ARG A 342 7.904 4.122 -5.230 1.00 0.19 C ATOM 414 C ARG A 342 6.719 5.079 -5.077 1.00 0.18 C ATOM 415 O ARG A 342 6.799 6.071 -4.381 1.00 0.19 O ATOM 416 CB ARG A 342 8.598 4.383 -6.568 1.00 0.24 C ATOM 417 CG ARG A 342 9.210 5.785 -6.563 1.00 0.32 C ATOM 418 CD ARG A 342 10.153 5.934 -7.758 1.00 0.61 C ATOM 419 NE ARG A 342 10.190 7.361 -8.187 1.00 1.14 N ATOM 420 CZ ARG A 342 11.133 7.783 -8.985 1.00 1.74 C ATOM 421 NH1 ARG A 342 12.051 6.956 -9.412 1.00 2.34 N ATOM 422 NH2 ARG A 342 11.161 9.033 -9.357 1.00 2.42 N ATOM 0 H ARG A 342 7.787 2.111 -5.933 1.00 0.17 H new ATOM 0 HA ARG A 342 8.605 4.287 -4.412 1.00 0.19 H new ATOM 0 HB2 ARG A 342 9.374 3.637 -6.738 1.00 0.24 H new ATOM 0 HB3 ARG A 342 7.882 4.290 -7.385 1.00 0.24 H new ATOM 0 HG2 ARG A 342 8.423 6.537 -6.611 1.00 0.32 H new ATOM 0 HG3 ARG A 342 9.754 5.953 -5.634 1.00 0.32 H new ATOM 0 HD2 ARG A 342 11.154 5.598 -7.489 1.00 0.61 H new ATOM 0 HD3 ARG A 342 9.816 5.304 -8.581 1.00 0.61 H new ATOM 0 HE ARG A 342 9.476 8.010 -7.856 1.00 1.14 H new ATOM 0 HH11 ARG A 342 12.032 5.978 -9.122 1.00 2.34 H new ATOM 0 HH12 ARG A 342 12.787 7.288 -10.035 1.00 2.34 H new ATOM 0 HH21 ARG A 342 10.446 9.680 -9.024 1.00 2.42 H new ATOM 0 HH22 ARG A 342 11.898 9.363 -9.980 1.00 2.42 H new ATOM 436 N GLU A 343 5.623 4.798 -5.725 1.00 0.20 N ATOM 437 CA GLU A 343 4.444 5.703 -5.615 1.00 0.21 C ATOM 438 C GLU A 343 4.015 5.817 -4.151 1.00 0.16 C ATOM 439 O GLU A 343 3.798 6.898 -3.641 1.00 0.15 O ATOM 440 CB GLU A 343 3.287 5.138 -6.444 1.00 0.25 C ATOM 441 CG GLU A 343 2.061 6.040 -6.291 1.00 0.54 C ATOM 442 CD GLU A 343 1.369 6.195 -7.647 1.00 1.48 C ATOM 443 OE1 GLU A 343 2.043 6.563 -8.595 1.00 2.35 O ATOM 444 OE2 GLU A 343 0.178 5.942 -7.714 1.00 2.12 O ATOM 0 H GLU A 343 5.492 3.983 -6.325 1.00 0.20 H new ATOM 0 HA GLU A 343 4.712 6.691 -5.990 1.00 0.21 H new ATOM 0 HB2 GLU A 343 3.575 5.073 -7.493 1.00 0.25 H new ATOM 0 HB3 GLU A 343 3.050 4.126 -6.115 1.00 0.25 H new ATOM 0 HG2 GLU A 343 1.370 5.612 -5.565 1.00 0.54 H new ATOM 0 HG3 GLU A 343 2.360 7.016 -5.910 1.00 0.54 H new ATOM 451 N LEU A 344 3.887 4.712 -3.470 1.00 0.15 N ATOM 452 CA LEU A 344 3.468 4.762 -2.039 1.00 0.13 C ATOM 453 C LEU A 344 4.515 5.526 -1.223 1.00 0.13 C ATOM 454 O LEU A 344 4.201 6.169 -0.241 1.00 0.14 O ATOM 455 CB LEU A 344 3.342 3.338 -1.496 1.00 0.15 C ATOM 456 CG LEU A 344 2.140 2.649 -2.142 1.00 0.15 C ATOM 457 CD1 LEU A 344 2.187 1.151 -1.841 1.00 0.17 C ATOM 458 CD2 LEU A 344 0.849 3.241 -1.573 1.00 0.18 C ATOM 0 H LEU A 344 4.054 3.777 -3.841 1.00 0.15 H new ATOM 0 HA LEU A 344 2.507 5.270 -1.961 1.00 0.13 H new ATOM 0 HB2 LEU A 344 4.252 2.776 -1.705 1.00 0.15 H new ATOM 0 HB3 LEU A 344 3.223 3.360 -0.413 1.00 0.15 H new ATOM 0 HG LEU A 344 2.169 2.804 -3.221 1.00 0.15 H new ATOM 0 HD11 LEU A 344 1.330 0.660 -2.302 1.00 0.17 H new ATOM 0 HD12 LEU A 344 3.107 0.728 -2.244 1.00 0.17 H new ATOM 0 HD13 LEU A 344 2.158 0.995 -0.763 1.00 0.17 H new ATOM 0 HD21 LEU A 344 -0.009 2.751 -2.032 1.00 0.18 H new ATOM 0 HD22 LEU A 344 0.822 3.085 -0.495 1.00 0.18 H new ATOM 0 HD23 LEU A 344 0.814 4.309 -1.786 1.00 0.18 H new ATOM 470 N ASN A 345 5.756 5.455 -1.618 1.00 0.16 N ATOM 471 CA ASN A 345 6.822 6.170 -0.862 1.00 0.19 C ATOM 472 C ASN A 345 6.493 7.665 -0.789 1.00 0.17 C ATOM 473 O ASN A 345 6.338 8.224 0.279 1.00 0.16 O ATOM 474 CB ASN A 345 8.163 5.979 -1.575 1.00 0.26 C ATOM 475 CG ASN A 345 9.286 6.576 -0.725 1.00 0.30 C ATOM 476 OD1 ASN A 345 9.912 7.541 -1.116 1.00 1.09 O ATOM 477 ND2 ASN A 345 9.571 6.038 0.429 1.00 0.69 N ATOM 0 H ASN A 345 6.078 4.932 -2.432 1.00 0.16 H new ATOM 0 HA ASN A 345 6.881 5.765 0.148 1.00 0.19 H new ATOM 0 HB2 ASN A 345 8.347 4.918 -1.746 1.00 0.26 H new ATOM 0 HB3 ASN A 345 8.138 6.460 -2.553 1.00 0.26 H new ATOM 0 HD21 ASN A 345 10.319 6.428 1.003 1.00 0.69 H new ATOM 0 HD22 ASN A 345 9.046 5.228 0.758 1.00 0.69 H new ATOM 484 N GLU A 346 6.393 8.315 -1.915 1.00 0.17 N ATOM 485 CA GLU A 346 6.082 9.773 -1.913 1.00 0.17 C ATOM 486 C GLU A 346 4.705 10.018 -1.288 1.00 0.14 C ATOM 487 O GLU A 346 4.428 11.086 -0.782 1.00 0.15 O ATOM 488 CB GLU A 346 6.084 10.295 -3.351 1.00 0.20 C ATOM 489 CG GLU A 346 5.729 11.784 -3.355 1.00 0.24 C ATOM 490 CD GLU A 346 6.106 12.395 -4.705 1.00 0.88 C ATOM 491 OE1 GLU A 346 7.284 12.620 -4.924 1.00 1.54 O ATOM 492 OE2 GLU A 346 5.208 12.628 -5.499 1.00 1.65 O ATOM 0 H GLU A 346 6.513 7.899 -2.839 1.00 0.17 H new ATOM 0 HA GLU A 346 6.838 10.296 -1.328 1.00 0.17 H new ATOM 0 HB2 GLU A 346 7.064 10.143 -3.803 1.00 0.20 H new ATOM 0 HB3 GLU A 346 5.366 9.738 -3.952 1.00 0.20 H new ATOM 0 HG2 GLU A 346 4.663 11.915 -3.170 1.00 0.24 H new ATOM 0 HG3 GLU A 346 6.258 12.297 -2.551 1.00 0.24 H new ATOM 499 N ALA A 347 3.838 9.045 -1.329 1.00 0.13 N ATOM 500 CA ALA A 347 2.478 9.232 -0.744 1.00 0.14 C ATOM 501 C ALA A 347 2.585 9.546 0.753 1.00 0.15 C ATOM 502 O ALA A 347 2.143 10.581 1.212 1.00 0.18 O ATOM 503 CB ALA A 347 1.658 7.955 -0.938 1.00 0.15 C ATOM 0 H ALA A 347 4.011 8.128 -1.742 1.00 0.13 H new ATOM 0 HA ALA A 347 1.987 10.064 -1.248 1.00 0.14 H new ATOM 0 HB1 ALA A 347 0.665 8.092 -0.511 1.00 0.15 H new ATOM 0 HB2 ALA A 347 1.568 7.738 -2.002 1.00 0.15 H new ATOM 0 HB3 ALA A 347 2.156 7.124 -0.439 1.00 0.15 H new ATOM 509 N LEU A 348 3.160 8.658 1.516 1.00 0.16 N ATOM 510 CA LEU A 348 3.285 8.901 2.984 1.00 0.20 C ATOM 511 C LEU A 348 4.127 10.156 3.235 1.00 0.20 C ATOM 512 O LEU A 348 3.752 11.022 3.999 1.00 0.23 O ATOM 513 CB LEU A 348 3.966 7.698 3.644 1.00 0.23 C ATOM 514 CG LEU A 348 2.966 6.546 3.782 1.00 0.25 C ATOM 515 CD1 LEU A 348 1.700 7.043 4.482 1.00 0.30 C ATOM 516 CD2 LEU A 348 2.604 6.015 2.394 1.00 0.21 C ATOM 0 H LEU A 348 3.549 7.774 1.188 1.00 0.16 H new ATOM 0 HA LEU A 348 2.291 9.042 3.408 1.00 0.20 H new ATOM 0 HB2 LEU A 348 4.821 7.380 3.047 1.00 0.23 H new ATOM 0 HB3 LEU A 348 4.349 7.979 4.625 1.00 0.23 H new ATOM 0 HG LEU A 348 3.416 5.748 4.372 1.00 0.25 H new ATOM 0 HD11 LEU A 348 0.991 6.221 4.578 1.00 0.30 H new ATOM 0 HD12 LEU A 348 1.956 7.420 5.472 1.00 0.30 H new ATOM 0 HD13 LEU A 348 1.250 7.843 3.895 1.00 0.30 H new ATOM 0 HD21 LEU A 348 1.892 5.195 2.492 1.00 0.21 H new ATOM 0 HD22 LEU A 348 2.157 6.815 1.804 1.00 0.21 H new ATOM 0 HD23 LEU A 348 3.504 5.656 1.896 1.00 0.21 H new ATOM 528 N GLU A 349 5.267 10.256 2.605 1.00 0.19 N ATOM 529 CA GLU A 349 6.133 11.451 2.818 1.00 0.21 C ATOM 530 C GLU A 349 5.356 12.723 2.470 1.00 0.20 C ATOM 531 O GLU A 349 5.618 13.785 2.998 1.00 0.23 O ATOM 532 CB GLU A 349 7.369 11.347 1.921 1.00 0.21 C ATOM 533 CG GLU A 349 8.095 10.029 2.202 1.00 0.27 C ATOM 534 CD GLU A 349 9.128 10.241 3.310 1.00 1.19 C ATOM 535 OE1 GLU A 349 8.730 10.292 4.462 1.00 1.89 O ATOM 536 OE2 GLU A 349 10.299 10.352 2.986 1.00 1.94 O ATOM 0 H GLU A 349 5.635 9.563 1.953 1.00 0.19 H new ATOM 0 HA GLU A 349 6.440 11.493 3.863 1.00 0.21 H new ATOM 0 HB2 GLU A 349 7.076 11.396 0.872 1.00 0.21 H new ATOM 0 HB3 GLU A 349 8.037 12.189 2.105 1.00 0.21 H new ATOM 0 HG2 GLU A 349 7.379 9.263 2.500 1.00 0.27 H new ATOM 0 HG3 GLU A 349 8.585 9.672 1.297 1.00 0.27 H new ATOM 543 N LEU A 350 4.402 12.624 1.587 1.00 0.21 N ATOM 544 CA LEU A 350 3.611 13.827 1.207 1.00 0.24 C ATOM 545 C LEU A 350 2.824 14.320 2.424 1.00 0.26 C ATOM 546 O LEU A 350 2.758 15.501 2.699 1.00 0.31 O ATOM 547 CB LEU A 350 2.638 13.460 0.084 1.00 0.27 C ATOM 548 CG LEU A 350 2.197 14.727 -0.652 1.00 0.33 C ATOM 549 CD1 LEU A 350 1.227 14.354 -1.774 1.00 0.46 C ATOM 550 CD2 LEU A 350 1.501 15.673 0.326 1.00 0.41 C ATOM 0 H LEU A 350 4.136 11.762 1.112 1.00 0.21 H new ATOM 0 HA LEU A 350 4.282 14.614 0.864 1.00 0.24 H new ATOM 0 HB2 LEU A 350 3.115 12.771 -0.613 1.00 0.27 H new ATOM 0 HB3 LEU A 350 1.769 12.946 0.496 1.00 0.27 H new ATOM 0 HG LEU A 350 3.072 15.221 -1.075 1.00 0.33 H new ATOM 0 HD11 LEU A 350 0.913 15.256 -2.298 1.00 0.46 H new ATOM 0 HD12 LEU A 350 1.722 13.681 -2.474 1.00 0.46 H new ATOM 0 HD13 LEU A 350 0.354 13.858 -1.350 1.00 0.46 H new ATOM 0 HD21 LEU A 350 1.188 16.575 -0.200 1.00 0.41 H new ATOM 0 HD22 LEU A 350 0.627 15.179 0.751 1.00 0.41 H new ATOM 0 HD23 LEU A 350 2.191 15.941 1.126 1.00 0.41 H new ATOM 562 N LYS A 351 2.226 13.419 3.151 1.00 0.24 N ATOM 563 CA LYS A 351 1.437 13.825 4.349 1.00 0.27 C ATOM 564 C LYS A 351 2.340 14.564 5.341 1.00 0.30 C ATOM 565 O LYS A 351 2.034 15.657 5.776 1.00 0.37 O ATOM 566 CB LYS A 351 0.862 12.575 5.017 1.00 0.27 C ATOM 567 CG LYS A 351 0.121 12.972 6.294 1.00 0.30 C ATOM 568 CD LYS A 351 -0.405 11.715 6.988 1.00 0.31 C ATOM 569 CE LYS A 351 -1.604 12.081 7.864 1.00 0.36 C ATOM 570 NZ LYS A 351 -1.723 11.102 8.982 1.00 1.40 N ATOM 0 H LYS A 351 2.249 12.416 2.968 1.00 0.24 H new ATOM 0 HA LYS A 351 0.627 14.487 4.043 1.00 0.27 H new ATOM 0 HB2 LYS A 351 0.183 12.065 4.334 1.00 0.27 H new ATOM 0 HB3 LYS A 351 1.663 11.875 5.252 1.00 0.27 H new ATOM 0 HG2 LYS A 351 0.789 13.516 6.961 1.00 0.30 H new ATOM 0 HG3 LYS A 351 -0.705 13.641 6.055 1.00 0.30 H new ATOM 0 HD2 LYS A 351 -0.696 10.972 6.246 1.00 0.31 H new ATOM 0 HD3 LYS A 351 0.380 11.267 7.597 1.00 0.31 H new ATOM 0 HE2 LYS A 351 -1.483 13.089 8.261 1.00 0.36 H new ATOM 0 HE3 LYS A 351 -2.517 12.080 7.268 1.00 0.36 H new ATOM 0 HZ1 LYS A 351 -2.539 11.352 9.577 1.00 1.40 H new ATOM 0 HZ2 LYS A 351 -1.857 10.147 8.594 1.00 1.40 H new ATOM 0 HZ3 LYS A 351 -0.856 11.124 9.556 1.00 1.40 H new ATOM 584 N ASP A 352 3.443 13.975 5.708 1.00 0.31 N ATOM 585 CA ASP A 352 4.360 14.640 6.679 1.00 0.38 C ATOM 586 C ASP A 352 4.783 16.011 6.144 1.00 0.42 C ATOM 587 O ASP A 352 4.906 16.966 6.887 1.00 0.50 O ATOM 588 CB ASP A 352 5.601 13.768 6.882 1.00 0.42 C ATOM 589 CG ASP A 352 5.225 12.525 7.689 1.00 0.44 C ATOM 590 OD1 ASP A 352 4.478 12.666 8.643 1.00 1.16 O ATOM 591 OD2 ASP A 352 5.693 11.453 7.341 1.00 1.09 O ATOM 0 H ASP A 352 3.751 13.060 5.378 1.00 0.31 H new ATOM 0 HA ASP A 352 3.842 14.772 7.629 1.00 0.38 H new ATOM 0 HB2 ASP A 352 6.015 13.476 5.917 1.00 0.42 H new ATOM 0 HB3 ASP A 352 6.374 14.333 7.403 1.00 0.42 H new ATOM 596 N ALA A 353 5.016 16.118 4.864 1.00 0.40 N ATOM 597 CA ALA A 353 5.441 17.428 4.291 1.00 0.48 C ATOM 598 C ALA A 353 4.297 18.438 4.397 1.00 0.53 C ATOM 599 O ALA A 353 4.514 19.634 4.418 1.00 0.63 O ATOM 600 CB ALA A 353 5.819 17.240 2.821 1.00 0.48 C ATOM 0 H ALA A 353 4.931 15.356 4.191 1.00 0.40 H new ATOM 0 HA ALA A 353 6.301 17.801 4.847 1.00 0.48 H new ATOM 0 HB1 ALA A 353 6.130 18.196 2.400 1.00 0.48 H new ATOM 0 HB2 ALA A 353 6.639 16.526 2.745 1.00 0.48 H new ATOM 0 HB3 ALA A 353 4.958 16.864 2.269 1.00 0.48 H new ATOM 606 N GLN A 354 3.080 17.973 4.461 1.00 0.49 N ATOM 607 CA GLN A 354 1.929 18.915 4.562 1.00 0.57 C ATOM 608 C GLN A 354 1.717 19.311 6.025 1.00 0.62 C ATOM 609 O GLN A 354 1.034 20.270 6.326 1.00 0.77 O ATOM 610 CB GLN A 354 0.667 18.230 4.033 1.00 0.54 C ATOM 611 CG GLN A 354 -0.265 19.276 3.417 1.00 1.15 C ATOM 612 CD GLN A 354 -1.320 18.579 2.555 1.00 1.10 C ATOM 613 OE1 GLN A 354 -1.605 17.325 2.780 1.00 1.47 O flip ATOM 614 NE2 GLN A 354 -1.892 19.182 1.669 1.00 0.73 N flip ATOM 0 H GLN A 354 2.833 16.984 4.448 1.00 0.49 H new ATOM 0 HA GLN A 354 2.137 19.808 3.972 1.00 0.57 H new ATOM 0 HB2 GLN A 354 0.933 17.481 3.287 1.00 0.54 H new ATOM 0 HB3 GLN A 354 0.158 17.707 4.843 1.00 0.54 H new ATOM 0 HG2 GLN A 354 -0.748 19.855 4.204 1.00 1.15 H new ATOM 0 HG3 GLN A 354 0.309 19.977 2.811 1.00 1.15 H new ATOM 0 HE21 GLN A 354 -1.670 20.162 1.493 1.00 0.73 H new ATOM 0 HE22 GLN A 354 -2.595 18.709 1.101 1.00 0.73 H new ATOM 820 N GLU B 326 -16.311 7.898 -11.507 1.00 0.47 N ATOM 821 CA GLU B 326 -17.322 6.899 -11.063 1.00 0.45 C ATOM 822 C GLU B 326 -17.272 6.770 -9.539 1.00 0.39 C ATOM 823 O GLU B 326 -16.627 7.546 -8.862 1.00 0.38 O ATOM 824 CB GLU B 326 -17.018 5.544 -11.700 1.00 0.46 C ATOM 825 CG GLU B 326 -17.317 5.606 -13.199 1.00 0.51 C ATOM 826 CD GLU B 326 -18.712 5.035 -13.466 1.00 1.39 C ATOM 827 OE1 GLU B 326 -19.154 4.213 -12.681 1.00 2.13 O ATOM 828 OE2 GLU B 326 -19.313 5.429 -14.452 1.00 2.13 O ATOM 0 HA GLU B 326 -18.315 7.227 -11.369 1.00 0.45 H new ATOM 0 HB2 GLU B 326 -15.973 5.280 -11.537 1.00 0.46 H new ATOM 0 HB3 GLU B 326 -17.620 4.766 -11.230 1.00 0.46 H new ATOM 0 HG2 GLU B 326 -17.261 6.637 -13.549 1.00 0.51 H new ATOM 0 HG3 GLU B 326 -16.569 5.040 -13.754 1.00 0.51 H new ATOM 835 N TYR B 327 -17.946 5.794 -8.995 1.00 0.37 N ATOM 836 CA TYR B 327 -17.935 5.618 -7.517 1.00 0.32 C ATOM 837 C TYR B 327 -18.069 4.135 -7.172 1.00 0.29 C ATOM 838 O TYR B 327 -19.113 3.537 -7.349 1.00 0.30 O ATOM 839 CB TYR B 327 -19.104 6.389 -6.900 1.00 0.34 C ATOM 840 CG TYR B 327 -18.736 7.846 -6.769 1.00 0.37 C ATOM 841 CD1 TYR B 327 -19.010 8.739 -7.815 1.00 0.42 C ATOM 842 CD2 TYR B 327 -18.124 8.308 -5.596 1.00 0.36 C ATOM 843 CE1 TYR B 327 -18.671 10.092 -7.686 1.00 0.45 C ATOM 844 CE2 TYR B 327 -17.785 9.660 -5.468 1.00 0.40 C ATOM 845 CZ TYR B 327 -18.059 10.553 -6.512 1.00 0.44 C ATOM 846 OH TYR B 327 -17.728 11.886 -6.383 1.00 0.48 O ATOM 0 H TYR B 327 -18.503 5.112 -9.510 1.00 0.37 H new ATOM 0 HA TYR B 327 -16.995 5.999 -7.119 1.00 0.32 H new ATOM 0 HB2 TYR B 327 -19.992 6.282 -7.523 1.00 0.34 H new ATOM 0 HB3 TYR B 327 -19.349 5.976 -5.922 1.00 0.34 H new ATOM 0 HD1 TYR B 327 -19.482 8.384 -8.719 1.00 0.42 H new ATOM 0 HD2 TYR B 327 -17.914 7.620 -4.790 1.00 0.36 H new ATOM 0 HE1 TYR B 327 -18.881 10.780 -8.491 1.00 0.45 H new ATOM 0 HE2 TYR B 327 -17.312 10.015 -4.564 1.00 0.40 H new ATOM 0 HH TYR B 327 -17.539 12.087 -5.442 1.00 0.48 H new ATOM 856 N PHE B 328 -17.023 3.538 -6.675 1.00 0.26 N ATOM 857 CA PHE B 328 -17.087 2.095 -6.311 1.00 0.24 C ATOM 858 C PHE B 328 -16.948 1.956 -4.795 1.00 0.23 C ATOM 859 O PHE B 328 -17.012 2.926 -4.067 1.00 0.23 O ATOM 860 CB PHE B 328 -15.951 1.343 -7.004 1.00 0.23 C ATOM 861 CG PHE B 328 -15.834 1.819 -8.432 1.00 0.25 C ATOM 862 CD1 PHE B 328 -15.162 3.014 -8.719 1.00 0.25 C ATOM 863 CD2 PHE B 328 -16.402 1.067 -9.470 1.00 0.28 C ATOM 864 CE1 PHE B 328 -15.057 3.458 -10.045 1.00 0.28 C ATOM 865 CE2 PHE B 328 -16.296 1.511 -10.795 1.00 0.32 C ATOM 866 CZ PHE B 328 -15.624 2.707 -11.082 1.00 0.31 C ATOM 0 H PHE B 328 -16.124 3.988 -6.504 1.00 0.26 H new ATOM 0 HA PHE B 328 -18.041 1.675 -6.631 1.00 0.24 H new ATOM 0 HB2 PHE B 328 -15.013 1.511 -6.475 1.00 0.23 H new ATOM 0 HB3 PHE B 328 -16.143 0.270 -6.981 1.00 0.23 H new ATOM 0 HD1 PHE B 328 -14.725 3.593 -7.919 1.00 0.25 H new ATOM 0 HD2 PHE B 328 -16.921 0.146 -9.249 1.00 0.28 H new ATOM 0 HE1 PHE B 328 -14.539 4.379 -10.266 1.00 0.28 H new ATOM 0 HE2 PHE B 328 -16.732 0.931 -11.595 1.00 0.32 H new ATOM 0 HZ PHE B 328 -15.543 3.049 -12.103 1.00 0.31 H new ATOM 876 N THR B 329 -16.759 0.761 -4.309 1.00 0.22 N ATOM 877 CA THR B 329 -16.619 0.575 -2.839 1.00 0.21 C ATOM 878 C THR B 329 -15.810 -0.690 -2.555 1.00 0.21 C ATOM 879 O THR B 329 -15.512 -1.463 -3.444 1.00 0.23 O ATOM 880 CB THR B 329 -18.007 0.448 -2.207 1.00 0.22 C ATOM 881 OG1 THR B 329 -18.767 -0.515 -2.924 1.00 0.22 O ATOM 882 CG2 THR B 329 -18.716 1.802 -2.256 1.00 0.22 C ATOM 0 H THR B 329 -16.696 -0.092 -4.865 1.00 0.22 H new ATOM 0 HA THR B 329 -16.103 1.435 -2.413 1.00 0.21 H new ATOM 0 HB THR B 329 -17.907 0.130 -1.169 1.00 0.22 H new ATOM 0 HG1 THR B 329 -19.655 -0.598 -2.519 1.00 0.22 H new ATOM 0 HG21 THR B 329 -19.705 1.712 -1.806 1.00 0.22 H new ATOM 0 HG22 THR B 329 -18.132 2.539 -1.704 1.00 0.22 H new ATOM 0 HG23 THR B 329 -18.817 2.122 -3.293 1.00 0.22 H new ATOM 890 N LEU B 330 -15.451 -0.906 -1.319 1.00 0.19 N ATOM 891 CA LEU B 330 -14.660 -2.120 -0.975 1.00 0.20 C ATOM 892 C LEU B 330 -14.980 -2.545 0.459 1.00 0.19 C ATOM 893 O LEU B 330 -14.941 -1.750 1.376 1.00 0.18 O ATOM 894 CB LEU B 330 -13.169 -1.799 -1.089 1.00 0.20 C ATOM 895 CG LEU B 330 -12.351 -3.030 -0.703 1.00 0.21 C ATOM 896 CD1 LEU B 330 -12.453 -4.080 -1.811 1.00 0.28 C ATOM 897 CD2 LEU B 330 -10.887 -2.626 -0.517 1.00 0.22 C ATOM 0 H LEU B 330 -15.671 -0.294 -0.533 1.00 0.19 H new ATOM 0 HA LEU B 330 -14.914 -2.929 -1.660 1.00 0.20 H new ATOM 0 HB2 LEU B 330 -12.929 -1.495 -2.108 1.00 0.20 H new ATOM 0 HB3 LEU B 330 -12.916 -0.962 -0.438 1.00 0.20 H new ATOM 0 HG LEU B 330 -12.737 -3.447 0.227 1.00 0.21 H new ATOM 0 HD11 LEU B 330 -11.869 -4.958 -1.535 1.00 0.28 H new ATOM 0 HD12 LEU B 330 -13.496 -4.366 -1.947 1.00 0.28 H new ATOM 0 HD13 LEU B 330 -12.067 -3.665 -2.742 1.00 0.28 H new ATOM 0 HD21 LEU B 330 -10.300 -3.502 -0.241 1.00 0.22 H new ATOM 0 HD22 LEU B 330 -10.503 -2.210 -1.449 1.00 0.22 H new ATOM 0 HD23 LEU B 330 -10.814 -1.877 0.272 1.00 0.22 H new ATOM 909 N GLN B 331 -15.297 -3.795 0.661 1.00 0.20 N ATOM 910 CA GLN B 331 -15.617 -4.268 2.037 1.00 0.21 C ATOM 911 C GLN B 331 -14.328 -4.680 2.750 1.00 0.21 C ATOM 912 O GLN B 331 -13.678 -5.637 2.375 1.00 0.23 O ATOM 913 CB GLN B 331 -16.560 -5.472 1.958 1.00 0.23 C ATOM 914 CG GLN B 331 -17.174 -5.733 3.335 1.00 0.29 C ATOM 915 CD GLN B 331 -18.659 -5.367 3.310 1.00 0.43 C ATOM 916 OE1 GLN B 331 -19.418 -5.909 2.532 1.00 0.91 O ATOM 917 NE2 GLN B 331 -19.109 -4.464 4.139 1.00 0.28 N ATOM 0 H GLN B 331 -15.348 -4.508 -0.067 1.00 0.20 H new ATOM 0 HA GLN B 331 -16.099 -3.463 2.592 1.00 0.21 H new ATOM 0 HB2 GLN B 331 -17.347 -5.283 1.227 1.00 0.23 H new ATOM 0 HB3 GLN B 331 -16.014 -6.353 1.619 1.00 0.23 H new ATOM 0 HG2 GLN B 331 -17.052 -6.782 3.607 1.00 0.29 H new ATOM 0 HG3 GLN B 331 -16.656 -5.145 4.093 1.00 0.29 H new ATOM 0 HE21 GLN B 331 -18.472 -4.009 4.792 1.00 0.28 H new ATOM 0 HE22 GLN B 331 -20.098 -4.214 4.133 1.00 0.28 H new ATOM 926 N ILE B 332 -13.952 -3.970 3.778 1.00 0.21 N ATOM 927 CA ILE B 332 -12.705 -4.328 4.512 1.00 0.22 C ATOM 928 C ILE B 332 -13.070 -5.033 5.819 1.00 0.23 C ATOM 929 O ILE B 332 -13.415 -4.403 6.798 1.00 0.24 O ATOM 930 CB ILE B 332 -11.911 -3.059 4.823 1.00 0.21 C ATOM 931 CG1 ILE B 332 -11.444 -2.417 3.514 1.00 0.20 C ATOM 932 CG2 ILE B 332 -10.692 -3.415 5.678 1.00 0.24 C ATOM 933 CD1 ILE B 332 -10.911 -1.013 3.798 1.00 0.23 C ATOM 0 H ILE B 332 -14.453 -3.159 4.141 1.00 0.21 H new ATOM 0 HA ILE B 332 -12.099 -4.992 3.895 1.00 0.22 H new ATOM 0 HB ILE B 332 -12.545 -2.359 5.367 1.00 0.21 H new ATOM 0 HG12 ILE B 332 -10.666 -3.027 3.054 1.00 0.20 H new ATOM 0 HG13 ILE B 332 -12.271 -2.367 2.805 1.00 0.20 H new ATOM 0 HG21 ILE B 332 -10.126 -2.510 5.900 1.00 0.24 H new ATOM 0 HG22 ILE B 332 -11.023 -3.873 6.610 1.00 0.24 H new ATOM 0 HG23 ILE B 332 -10.058 -4.115 5.134 1.00 0.24 H new ATOM 0 HD11 ILE B 332 -10.578 -0.555 2.867 1.00 0.23 H new ATOM 0 HD12 ILE B 332 -11.702 -0.406 4.239 1.00 0.23 H new ATOM 0 HD13 ILE B 332 -10.072 -1.076 4.492 1.00 0.23 H new ATOM 945 N ARG B 333 -12.994 -6.335 5.844 1.00 0.25 N ATOM 946 CA ARG B 333 -13.333 -7.074 7.091 1.00 0.27 C ATOM 947 C ARG B 333 -12.228 -6.852 8.123 1.00 0.26 C ATOM 948 O ARG B 333 -11.067 -6.735 7.788 1.00 0.26 O ATOM 949 CB ARG B 333 -13.453 -8.567 6.787 1.00 0.32 C ATOM 950 CG ARG B 333 -14.340 -8.769 5.558 1.00 0.42 C ATOM 951 CD ARG B 333 -14.537 -10.266 5.311 1.00 0.70 C ATOM 952 NE ARG B 333 -14.614 -10.519 3.845 1.00 1.46 N ATOM 953 CZ ARG B 333 -14.480 -11.733 3.381 1.00 1.97 C ATOM 954 NH1 ARG B 333 -14.278 -12.731 4.199 1.00 2.17 N ATOM 955 NH2 ARG B 333 -14.551 -11.950 2.096 1.00 2.93 N ATOM 0 H ARG B 333 -12.712 -6.918 5.056 1.00 0.25 H new ATOM 0 HA ARG B 333 -14.282 -6.709 7.484 1.00 0.27 H new ATOM 0 HB2 ARG B 333 -12.466 -8.993 6.610 1.00 0.32 H new ATOM 0 HB3 ARG B 333 -13.877 -9.090 7.644 1.00 0.32 H new ATOM 0 HG2 ARG B 333 -15.305 -8.285 5.709 1.00 0.42 H new ATOM 0 HG3 ARG B 333 -13.882 -8.303 4.685 1.00 0.42 H new ATOM 0 HD2 ARG B 333 -13.711 -10.829 5.746 1.00 0.70 H new ATOM 0 HD3 ARG B 333 -15.449 -10.610 5.799 1.00 0.70 H new ATOM 0 HE ARG B 333 -14.772 -9.743 3.202 1.00 1.46 H new ATOM 0 HH11 ARG B 333 -14.224 -12.564 5.204 1.00 2.17 H new ATOM 0 HH12 ARG B 333 -14.174 -13.677 3.833 1.00 2.17 H new ATOM 0 HH21 ARG B 333 -14.711 -11.172 1.456 1.00 2.93 H new ATOM 0 HH22 ARG B 333 -14.447 -12.897 1.732 1.00 2.93 H new ATOM 969 N GLY B 334 -12.580 -6.789 9.376 1.00 0.29 N ATOM 970 CA GLY B 334 -11.548 -6.572 10.428 1.00 0.30 C ATOM 971 C GLY B 334 -11.238 -5.078 10.536 1.00 0.33 C ATOM 972 O GLY B 334 -10.829 -4.446 9.582 1.00 0.40 O ATOM 0 H GLY B 334 -13.537 -6.878 9.718 1.00 0.29 H new ATOM 0 HA2 GLY B 334 -11.904 -6.951 11.386 1.00 0.30 H new ATOM 0 HA3 GLY B 334 -10.642 -7.126 10.183 1.00 0.30 H new ATOM 976 N ARG B 335 -11.434 -4.509 11.693 1.00 0.30 N ATOM 977 CA ARG B 335 -11.156 -3.055 11.872 1.00 0.34 C ATOM 978 C ARG B 335 -9.646 -2.805 11.795 1.00 0.32 C ATOM 979 O ARG B 335 -9.202 -1.749 11.391 1.00 0.30 O ATOM 980 CB ARG B 335 -11.677 -2.612 13.240 1.00 0.39 C ATOM 981 CG ARG B 335 -11.863 -1.093 13.259 1.00 0.48 C ATOM 982 CD ARG B 335 -11.346 -0.542 14.589 1.00 0.93 C ATOM 983 NE ARG B 335 -12.404 -0.691 15.639 1.00 1.53 N ATOM 984 CZ ARG B 335 -13.607 -0.215 15.461 1.00 2.11 C ATOM 985 NH1 ARG B 335 -13.866 0.573 14.452 1.00 2.43 N ATOM 986 NH2 ARG B 335 -14.544 -0.484 16.329 1.00 3.01 N ATOM 0 H ARG B 335 -11.776 -4.989 12.525 1.00 0.30 H new ATOM 0 HA ARG B 335 -11.654 -2.488 11.085 1.00 0.34 H new ATOM 0 HB2 ARG B 335 -12.624 -3.106 13.455 1.00 0.39 H new ATOM 0 HB3 ARG B 335 -10.977 -2.911 14.020 1.00 0.39 H new ATOM 0 HG2 ARG B 335 -11.324 -0.638 12.428 1.00 0.48 H new ATOM 0 HG3 ARG B 335 -12.916 -0.841 13.132 1.00 0.48 H new ATOM 0 HD2 ARG B 335 -10.444 -1.075 14.889 1.00 0.93 H new ATOM 0 HD3 ARG B 335 -11.074 0.508 14.478 1.00 0.93 H new ATOM 0 HE ARG B 335 -12.181 -1.173 16.509 1.00 1.53 H new ATOM 0 HH11 ARG B 335 -13.126 0.821 13.796 1.00 2.43 H new ATOM 0 HH12 ARG B 335 -14.808 0.940 14.321 1.00 2.43 H new ATOM 0 HH21 ARG B 335 -14.335 -1.064 17.142 1.00 3.01 H new ATOM 0 HH22 ARG B 335 -15.485 -0.115 16.194 1.00 3.01 H new ATOM 1000 N GLU B 336 -8.855 -3.769 12.183 1.00 0.35 N ATOM 1001 CA GLU B 336 -7.374 -3.586 12.137 1.00 0.37 C ATOM 1002 C GLU B 336 -6.931 -3.289 10.703 1.00 0.38 C ATOM 1003 O GLU B 336 -6.449 -2.215 10.401 1.00 0.39 O ATOM 1004 CB GLU B 336 -6.688 -4.862 12.630 1.00 0.44 C ATOM 1005 CG GLU B 336 -5.321 -4.510 13.220 1.00 1.33 C ATOM 1006 CD GLU B 336 -4.822 -5.672 14.079 1.00 1.73 C ATOM 1007 OE1 GLU B 336 -5.603 -6.577 14.329 1.00 2.22 O ATOM 1008 OE2 GLU B 336 -3.668 -5.638 14.473 1.00 2.28 O ATOM 0 H GLU B 336 -9.169 -4.675 12.530 1.00 0.35 H new ATOM 0 HA GLU B 336 -7.095 -2.750 12.778 1.00 0.37 H new ATOM 0 HB2 GLU B 336 -7.306 -5.352 13.383 1.00 0.44 H new ATOM 0 HB3 GLU B 336 -6.570 -5.566 11.806 1.00 0.44 H new ATOM 0 HG2 GLU B 336 -4.610 -4.304 12.420 1.00 1.33 H new ATOM 0 HG3 GLU B 336 -5.395 -3.604 13.822 1.00 1.33 H new ATOM 1015 N ARG B 337 -7.087 -4.234 9.814 1.00 0.43 N ATOM 1016 CA ARG B 337 -6.670 -4.000 8.401 1.00 0.49 C ATOM 1017 C ARG B 337 -7.437 -2.805 7.839 1.00 0.40 C ATOM 1018 O ARG B 337 -6.951 -2.082 6.994 1.00 0.38 O ATOM 1019 CB ARG B 337 -6.982 -5.240 7.560 1.00 0.64 C ATOM 1020 CG ARG B 337 -6.104 -6.408 8.016 1.00 0.78 C ATOM 1021 CD ARG B 337 -5.659 -7.241 6.808 1.00 1.08 C ATOM 1022 NE ARG B 337 -6.602 -7.041 5.655 1.00 1.38 N ATOM 1023 CZ ARG B 337 -7.895 -7.191 5.791 1.00 2.18 C ATOM 1024 NH1 ARG B 337 -8.399 -7.672 6.895 1.00 2.72 N ATOM 1025 NH2 ARG B 337 -8.687 -6.899 4.796 1.00 2.93 N ATOM 0 H ARG B 337 -7.484 -5.154 10.004 1.00 0.43 H new ATOM 0 HA ARG B 337 -5.599 -3.799 8.369 1.00 0.49 H new ATOM 0 HB2 ARG B 337 -8.035 -5.503 7.660 1.00 0.64 H new ATOM 0 HB3 ARG B 337 -6.805 -5.030 6.505 1.00 0.64 H new ATOM 0 HG2 ARG B 337 -5.231 -6.030 8.547 1.00 0.78 H new ATOM 0 HG3 ARG B 337 -6.656 -7.035 8.716 1.00 0.78 H new ATOM 0 HD2 ARG B 337 -4.649 -6.955 6.514 1.00 1.08 H new ATOM 0 HD3 ARG B 337 -5.625 -8.296 7.079 1.00 1.08 H new ATOM 0 HE ARG B 337 -6.225 -6.782 4.743 1.00 1.38 H new ATOM 0 HH11 ARG B 337 -7.783 -7.936 7.664 1.00 2.72 H new ATOM 0 HH12 ARG B 337 -9.409 -7.784 6.988 1.00 2.72 H new ATOM 0 HH21 ARG B 337 -8.298 -6.556 3.918 1.00 2.93 H new ATOM 0 HH22 ARG B 337 -9.696 -7.014 4.896 1.00 2.93 H new ATOM 1039 N PHE B 338 -8.637 -2.594 8.302 1.00 0.37 N ATOM 1040 CA PHE B 338 -9.442 -1.450 7.795 1.00 0.33 C ATOM 1041 C PHE B 338 -8.647 -0.152 7.956 1.00 0.27 C ATOM 1042 O PHE B 338 -8.395 0.554 7.002 1.00 0.26 O ATOM 1043 CB PHE B 338 -10.743 -1.354 8.593 1.00 0.34 C ATOM 1044 CG PHE B 338 -11.477 -0.091 8.215 1.00 0.32 C ATOM 1045 CD1 PHE B 338 -11.980 0.064 6.917 1.00 0.32 C ATOM 1046 CD2 PHE B 338 -11.658 0.924 9.163 1.00 0.34 C ATOM 1047 CE1 PHE B 338 -12.663 1.237 6.566 1.00 0.33 C ATOM 1048 CE2 PHE B 338 -12.341 2.097 8.813 1.00 0.36 C ATOM 1049 CZ PHE B 338 -12.843 2.252 7.513 1.00 0.34 C ATOM 0 H PHE B 338 -9.095 -3.166 9.011 1.00 0.37 H new ATOM 0 HA PHE B 338 -9.670 -1.605 6.740 1.00 0.33 H new ATOM 0 HB2 PHE B 338 -11.369 -2.224 8.393 1.00 0.34 H new ATOM 0 HB3 PHE B 338 -10.527 -1.355 9.661 1.00 0.34 H new ATOM 0 HD1 PHE B 338 -11.842 -0.720 6.187 1.00 0.32 H new ATOM 0 HD2 PHE B 338 -11.271 0.803 10.164 1.00 0.34 H new ATOM 0 HE1 PHE B 338 -13.050 1.357 5.565 1.00 0.33 H new ATOM 0 HE2 PHE B 338 -12.480 2.880 9.544 1.00 0.36 H new ATOM 0 HZ PHE B 338 -13.369 3.155 7.242 1.00 0.34 H new ATOM 1059 N GLU B 339 -8.254 0.171 9.157 1.00 0.26 N ATOM 1060 CA GLU B 339 -7.481 1.428 9.380 1.00 0.26 C ATOM 1061 C GLU B 339 -6.293 1.494 8.416 1.00 0.23 C ATOM 1062 O GLU B 339 -5.900 2.556 7.974 1.00 0.23 O ATOM 1063 CB GLU B 339 -6.966 1.457 10.820 1.00 0.32 C ATOM 1064 CG GLU B 339 -8.116 1.792 11.771 1.00 0.35 C ATOM 1065 CD GLU B 339 -7.569 2.526 12.995 1.00 1.18 C ATOM 1066 OE1 GLU B 339 -6.725 1.962 13.672 1.00 1.88 O ATOM 1067 OE2 GLU B 339 -8.003 3.642 13.234 1.00 1.98 O ATOM 0 H GLU B 339 -8.434 -0.381 9.995 1.00 0.26 H new ATOM 0 HA GLU B 339 -8.133 2.283 9.202 1.00 0.26 H new ATOM 0 HB2 GLU B 339 -6.534 0.491 11.082 1.00 0.32 H new ATOM 0 HB3 GLU B 339 -6.172 2.198 10.918 1.00 0.32 H new ATOM 0 HG2 GLU B 339 -8.854 2.412 11.262 1.00 0.35 H new ATOM 0 HG3 GLU B 339 -8.625 0.879 12.079 1.00 0.35 H new ATOM 1074 N MET B 340 -5.708 0.373 8.096 1.00 0.22 N ATOM 1075 CA MET B 340 -4.537 0.381 7.171 1.00 0.21 C ATOM 1076 C MET B 340 -4.958 0.886 5.788 1.00 0.18 C ATOM 1077 O MET B 340 -4.348 1.778 5.231 1.00 0.18 O ATOM 1078 CB MET B 340 -3.978 -1.039 7.048 1.00 0.23 C ATOM 1079 CG MET B 340 -2.611 -0.992 6.362 1.00 0.27 C ATOM 1080 SD MET B 340 -1.999 -2.679 6.124 1.00 0.29 S ATOM 1081 CE MET B 340 -2.665 -2.928 4.460 1.00 0.32 C ATOM 0 H MET B 340 -5.989 -0.548 8.434 1.00 0.22 H new ATOM 0 HA MET B 340 -3.772 1.046 7.572 1.00 0.21 H new ATOM 0 HB2 MET B 340 -3.886 -1.492 8.035 1.00 0.23 H new ATOM 0 HB3 MET B 340 -4.663 -1.663 6.474 1.00 0.23 H new ATOM 0 HG2 MET B 340 -2.691 -0.484 5.401 1.00 0.27 H new ATOM 0 HG3 MET B 340 -1.908 -0.420 6.967 1.00 0.27 H new ATOM 0 HE1 MET B 340 -1.951 -3.495 3.863 1.00 0.32 H new ATOM 0 HE2 MET B 340 -3.604 -3.478 4.522 1.00 0.32 H new ATOM 0 HE3 MET B 340 -2.842 -1.960 3.990 1.00 0.32 H new ATOM 1091 N PHE B 341 -5.988 0.319 5.223 1.00 0.16 N ATOM 1092 CA PHE B 341 -6.436 0.762 3.870 1.00 0.14 C ATOM 1093 C PHE B 341 -6.861 2.233 3.912 1.00 0.15 C ATOM 1094 O PHE B 341 -6.476 3.023 3.072 1.00 0.15 O ATOM 1095 CB PHE B 341 -7.623 -0.094 3.424 1.00 0.14 C ATOM 1096 CG PHE B 341 -7.121 -1.426 2.920 1.00 0.15 C ATOM 1097 CD1 PHE B 341 -6.410 -1.497 1.714 1.00 0.18 C ATOM 1098 CD2 PHE B 341 -7.366 -2.592 3.658 1.00 0.16 C ATOM 1099 CE1 PHE B 341 -5.945 -2.732 1.246 1.00 0.18 C ATOM 1100 CE2 PHE B 341 -6.900 -3.828 3.190 1.00 0.18 C ATOM 1101 CZ PHE B 341 -6.189 -3.898 1.984 1.00 0.17 C ATOM 0 H PHE B 341 -6.539 -0.432 5.638 1.00 0.16 H new ATOM 0 HA PHE B 341 -5.611 0.648 3.167 1.00 0.14 H new ATOM 0 HB2 PHE B 341 -8.310 -0.244 4.257 1.00 0.14 H new ATOM 0 HB3 PHE B 341 -8.180 0.418 2.639 1.00 0.14 H new ATOM 0 HD1 PHE B 341 -6.221 -0.598 1.145 1.00 0.18 H new ATOM 0 HD2 PHE B 341 -7.914 -2.538 4.587 1.00 0.16 H new ATOM 0 HE1 PHE B 341 -5.398 -2.786 0.316 1.00 0.18 H new ATOM 0 HE2 PHE B 341 -7.089 -4.727 3.759 1.00 0.18 H new ATOM 0 HZ PHE B 341 -5.829 -4.850 1.624 1.00 0.17 H new ATOM 1111 N ARG B 342 -7.656 2.604 4.876 1.00 0.17 N ATOM 1112 CA ARG B 342 -8.115 4.019 4.968 1.00 0.19 C ATOM 1113 C ARG B 342 -6.922 4.967 4.823 1.00 0.18 C ATOM 1114 O ARG B 342 -7.004 5.983 4.160 1.00 0.19 O ATOM 1115 CB ARG B 342 -8.780 4.246 6.327 1.00 0.23 C ATOM 1116 CG ARG B 342 -9.370 5.657 6.381 1.00 0.32 C ATOM 1117 CD ARG B 342 -10.293 5.778 7.594 1.00 0.61 C ATOM 1118 NE ARG B 342 -10.302 7.190 8.074 1.00 1.13 N ATOM 1119 CZ ARG B 342 -11.227 7.597 8.901 1.00 1.74 C ATOM 1120 NH1 ARG B 342 -12.151 6.771 9.312 1.00 2.34 N ATOM 1121 NH2 ARG B 342 -11.228 8.833 9.318 1.00 2.42 N ATOM 0 H ARG B 342 -8.009 1.986 5.607 1.00 0.17 H new ATOM 0 HA ARG B 342 -8.828 4.218 4.168 1.00 0.19 H new ATOM 0 HB2 ARG B 342 -9.565 3.507 6.487 1.00 0.23 H new ATOM 0 HB3 ARG B 342 -8.051 4.115 7.126 1.00 0.23 H new ATOM 0 HG2 ARG B 342 -8.570 6.395 6.444 1.00 0.32 H new ATOM 0 HG3 ARG B 342 -9.925 5.866 5.466 1.00 0.32 H new ATOM 0 HD2 ARG B 342 -11.303 5.467 7.328 1.00 0.61 H new ATOM 0 HD3 ARG B 342 -9.954 5.114 8.390 1.00 0.61 H new ATOM 0 HE ARG B 342 -9.583 7.840 7.755 1.00 1.13 H new ATOM 0 HH11 ARG B 342 -12.152 5.804 8.987 1.00 2.34 H new ATOM 0 HH12 ARG B 342 -12.872 7.093 9.958 1.00 2.34 H new ATOM 0 HH21 ARG B 342 -10.507 9.480 8.998 1.00 2.42 H new ATOM 0 HH22 ARG B 342 -11.950 9.153 9.964 1.00 2.42 H new ATOM 1135 N GLU B 343 -5.817 4.652 5.441 1.00 0.19 N ATOM 1136 CA GLU B 343 -4.628 5.545 5.339 1.00 0.21 C ATOM 1137 C GLU B 343 -4.223 5.702 3.873 1.00 0.16 C ATOM 1138 O GLU B 343 -3.998 6.797 3.395 1.00 0.15 O ATOM 1139 CB GLU B 343 -3.466 4.937 6.128 1.00 0.25 C ATOM 1140 CG GLU B 343 -2.231 5.828 5.983 1.00 0.53 C ATOM 1141 CD GLU B 343 -1.513 5.929 7.329 1.00 1.47 C ATOM 1142 OE1 GLU B 343 -2.163 6.277 8.301 1.00 2.35 O ATOM 1143 OE2 GLU B 343 -0.325 5.655 7.367 1.00 2.11 O ATOM 0 H GLU B 343 -5.686 3.817 6.011 1.00 0.19 H new ATOM 0 HA GLU B 343 -4.876 6.524 5.750 1.00 0.21 H new ATOM 0 HB2 GLU B 343 -3.737 4.841 7.179 1.00 0.25 H new ATOM 0 HB3 GLU B 343 -3.249 3.934 5.762 1.00 0.25 H new ATOM 0 HG2 GLU B 343 -1.559 5.416 5.230 1.00 0.53 H new ATOM 0 HG3 GLU B 343 -2.524 6.820 5.640 1.00 0.53 H new ATOM 1150 N LEU B 344 -4.124 4.619 3.154 1.00 0.15 N ATOM 1151 CA LEU B 344 -3.730 4.709 1.720 1.00 0.13 C ATOM 1152 C LEU B 344 -4.780 5.510 0.948 1.00 0.13 C ATOM 1153 O LEU B 344 -4.478 6.182 -0.018 1.00 0.14 O ATOM 1154 CB LEU B 344 -3.632 3.303 1.127 1.00 0.15 C ATOM 1155 CG LEU B 344 -2.428 2.576 1.727 1.00 0.14 C ATOM 1156 CD1 LEU B 344 -2.503 1.089 1.379 1.00 0.17 C ATOM 1157 CD2 LEU B 344 -1.138 3.167 1.154 1.00 0.18 C ATOM 0 H LEU B 344 -4.299 3.675 3.497 1.00 0.15 H new ATOM 0 HA LEU B 344 -2.763 5.206 1.644 1.00 0.13 H new ATOM 0 HB2 LEU B 344 -4.546 2.746 1.333 1.00 0.15 H new ATOM 0 HB3 LEU B 344 -3.532 3.361 0.043 1.00 0.15 H new ATOM 0 HG LEU B 344 -2.435 2.697 2.810 1.00 0.14 H new ATOM 0 HD11 LEU B 344 -1.644 0.571 1.807 1.00 0.17 H new ATOM 0 HD12 LEU B 344 -3.422 0.666 1.786 1.00 0.17 H new ATOM 0 HD13 LEU B 344 -2.497 0.968 0.296 1.00 0.17 H new ATOM 0 HD21 LEU B 344 -0.279 2.649 1.581 1.00 0.18 H new ATOM 0 HD22 LEU B 344 -1.132 3.046 0.071 1.00 0.18 H new ATOM 0 HD23 LEU B 344 -1.082 4.227 1.401 1.00 0.18 H new ATOM 1169 N ASN B 345 -6.015 5.441 1.363 1.00 0.16 N ATOM 1170 CA ASN B 345 -7.085 6.194 0.652 1.00 0.19 C ATOM 1171 C ASN B 345 -6.736 7.685 0.620 1.00 0.17 C ATOM 1172 O ASN B 345 -6.591 8.276 -0.432 1.00 0.17 O ATOM 1173 CB ASN B 345 -8.415 5.998 1.383 1.00 0.26 C ATOM 1174 CG ASN B 345 -9.544 6.638 0.574 1.00 0.30 C ATOM 1175 OD1 ASN B 345 -10.144 7.602 1.003 1.00 1.09 O ATOM 1176 ND2 ASN B 345 -9.860 6.137 -0.590 1.00 0.68 N ATOM 0 H ASN B 345 -6.329 4.895 2.165 1.00 0.16 H new ATOM 0 HA ASN B 345 -7.169 5.823 -0.369 1.00 0.19 H new ATOM 0 HB2 ASN B 345 -8.612 4.935 1.523 1.00 0.26 H new ATOM 0 HB3 ASN B 345 -8.366 6.446 2.375 1.00 0.26 H new ATOM 0 HD21 ASN B 345 -10.611 6.556 -1.139 1.00 0.68 H new ATOM 0 HD22 ASN B 345 -9.356 5.327 -0.950 1.00 0.68 H new ATOM 1183 N GLU B 346 -6.608 8.297 1.764 1.00 0.17 N ATOM 1184 CA GLU B 346 -6.277 9.750 1.803 1.00 0.16 C ATOM 1185 C GLU B 346 -4.909 9.997 1.160 1.00 0.14 C ATOM 1186 O GLU B 346 -4.624 11.078 0.686 1.00 0.15 O ATOM 1187 CB GLU B 346 -6.247 10.225 3.256 1.00 0.20 C ATOM 1188 CG GLU B 346 -5.873 11.708 3.299 1.00 0.23 C ATOM 1189 CD GLU B 346 -6.220 12.284 4.673 1.00 0.89 C ATOM 1190 OE1 GLU B 346 -7.392 12.517 4.917 1.00 1.55 O ATOM 1191 OE2 GLU B 346 -5.306 12.480 5.458 1.00 1.66 O ATOM 0 H GLU B 346 -6.718 7.853 2.676 1.00 0.17 H new ATOM 0 HA GLU B 346 -7.036 10.302 1.249 1.00 0.16 H new ATOM 0 HB2 GLU B 346 -7.221 10.071 3.721 1.00 0.20 H new ATOM 0 HB3 GLU B 346 -5.525 9.640 3.826 1.00 0.20 H new ATOM 0 HG2 GLU B 346 -4.808 11.831 3.100 1.00 0.23 H new ATOM 0 HG3 GLU B 346 -6.408 12.251 2.520 1.00 0.23 H new ATOM 1198 N ALA B 347 -4.054 9.012 1.153 1.00 0.13 N ATOM 1199 CA ALA B 347 -2.704 9.202 0.549 1.00 0.14 C ATOM 1200 C ALA B 347 -2.835 9.567 -0.933 1.00 0.15 C ATOM 1201 O ALA B 347 -2.386 10.609 -1.366 1.00 0.17 O ATOM 1202 CB ALA B 347 -1.897 7.910 0.686 1.00 0.15 C ATOM 0 H ALA B 347 -4.231 8.084 1.539 1.00 0.13 H new ATOM 0 HA ALA B 347 -2.193 10.011 1.070 1.00 0.14 H new ATOM 0 HB1 ALA B 347 -0.910 8.049 0.244 1.00 0.15 H new ATOM 0 HB2 ALA B 347 -1.790 7.658 1.741 1.00 0.15 H new ATOM 0 HB3 ALA B 347 -2.415 7.101 0.170 1.00 0.15 H new ATOM 1208 N LEU B 348 -3.435 8.711 -1.715 1.00 0.16 N ATOM 1209 CA LEU B 348 -3.584 9.004 -3.171 1.00 0.20 C ATOM 1210 C LEU B 348 -4.415 10.276 -3.367 1.00 0.20 C ATOM 1211 O LEU B 348 -4.043 11.162 -4.110 1.00 0.22 O ATOM 1212 CB LEU B 348 -4.291 7.832 -3.857 1.00 0.23 C ATOM 1213 CG LEU B 348 -3.309 6.674 -4.052 1.00 0.25 C ATOM 1214 CD1 LEU B 348 -2.050 7.180 -4.758 1.00 0.29 C ATOM 1215 CD2 LEU B 348 -2.927 6.094 -2.689 1.00 0.21 C ATOM 0 H LEU B 348 -3.829 7.821 -1.409 1.00 0.16 H new ATOM 0 HA LEU B 348 -2.596 9.148 -3.608 1.00 0.20 H new ATOM 0 HB2 LEU B 348 -5.138 7.504 -3.255 1.00 0.23 H new ATOM 0 HB3 LEU B 348 -4.689 8.150 -4.821 1.00 0.23 H new ATOM 0 HG LEU B 348 -3.780 5.901 -4.660 1.00 0.25 H new ATOM 0 HD11 LEU B 348 -1.353 6.353 -4.895 1.00 0.29 H new ATOM 0 HD12 LEU B 348 -2.319 7.593 -5.730 1.00 0.29 H new ATOM 0 HD13 LEU B 348 -1.580 7.955 -4.152 1.00 0.29 H new ATOM 0 HD21 LEU B 348 -2.228 5.269 -2.828 1.00 0.21 H new ATOM 0 HD22 LEU B 348 -2.459 6.869 -2.082 1.00 0.21 H new ATOM 0 HD23 LEU B 348 -3.822 5.730 -2.185 1.00 0.21 H new ATOM 1227 N GLU B 349 -5.541 10.370 -2.715 1.00 0.19 N ATOM 1228 CA GLU B 349 -6.396 11.580 -2.873 1.00 0.20 C ATOM 1229 C GLU B 349 -5.596 12.832 -2.502 1.00 0.19 C ATOM 1230 O GLU B 349 -5.853 13.912 -2.994 1.00 0.21 O ATOM 1231 CB GLU B 349 -7.617 11.463 -1.959 1.00 0.22 C ATOM 1232 CG GLU B 349 -8.368 10.165 -2.269 1.00 0.27 C ATOM 1233 CD GLU B 349 -9.421 10.429 -3.348 1.00 1.21 C ATOM 1234 OE1 GLU B 349 -9.048 10.508 -4.506 1.00 1.90 O ATOM 1235 OE2 GLU B 349 -10.583 10.547 -2.996 1.00 1.95 O ATOM 0 H GLU B 349 -5.906 9.661 -2.079 1.00 0.19 H new ATOM 0 HA GLU B 349 -6.723 11.658 -3.910 1.00 0.20 H new ATOM 0 HB2 GLU B 349 -7.305 11.474 -0.915 1.00 0.22 H new ATOM 0 HB3 GLU B 349 -8.276 12.319 -2.104 1.00 0.22 H new ATOM 0 HG2 GLU B 349 -7.669 9.400 -2.607 1.00 0.27 H new ATOM 0 HG3 GLU B 349 -8.845 9.784 -1.366 1.00 0.27 H new ATOM 1242 N LEU B 350 -4.629 12.695 -1.637 1.00 0.20 N ATOM 1243 CA LEU B 350 -3.813 13.876 -1.234 1.00 0.23 C ATOM 1244 C LEU B 350 -3.042 14.396 -2.448 1.00 0.24 C ATOM 1245 O LEU B 350 -2.961 15.585 -2.687 1.00 0.29 O ATOM 1246 CB LEU B 350 -2.825 13.460 -0.142 1.00 0.26 C ATOM 1247 CG LEU B 350 -2.357 14.695 0.630 1.00 0.31 C ATOM 1248 CD1 LEU B 350 -1.370 14.273 1.721 1.00 0.45 C ATOM 1249 CD2 LEU B 350 -1.669 15.669 -0.328 1.00 0.40 C ATOM 0 H LEU B 350 -4.368 11.815 -1.191 1.00 0.20 H new ATOM 0 HA LEU B 350 -4.467 14.661 -0.854 1.00 0.23 H new ATOM 0 HB2 LEU B 350 -3.298 12.752 0.539 1.00 0.26 H new ATOM 0 HB3 LEU B 350 -1.969 12.952 -0.587 1.00 0.26 H new ATOM 0 HG LEU B 350 -3.218 15.182 1.087 1.00 0.31 H new ATOM 0 HD11 LEU B 350 -1.037 15.153 2.271 1.00 0.45 H new ATOM 0 HD12 LEU B 350 -1.859 13.581 2.406 1.00 0.45 H new ATOM 0 HD13 LEU B 350 -0.510 13.784 1.264 1.00 0.45 H new ATOM 0 HD21 LEU B 350 -1.336 16.548 0.224 1.00 0.40 H new ATOM 0 HD22 LEU B 350 -0.809 15.182 -0.787 1.00 0.40 H new ATOM 0 HD23 LEU B 350 -2.371 15.972 -1.105 1.00 0.40 H new ATOM 1261 N LYS B 351 -2.471 13.510 -3.216 1.00 0.23 N ATOM 1262 CA LYS B 351 -1.697 13.943 -4.413 1.00 0.26 C ATOM 1263 C LYS B 351 -2.606 14.726 -5.364 1.00 0.28 C ATOM 1264 O LYS B 351 -2.295 15.831 -5.763 1.00 0.35 O ATOM 1265 CB LYS B 351 -1.150 12.708 -5.131 1.00 0.26 C ATOM 1266 CG LYS B 351 -0.427 13.136 -6.409 1.00 0.29 C ATOM 1267 CD LYS B 351 0.069 11.897 -7.154 1.00 0.30 C ATOM 1268 CE LYS B 351 1.259 12.275 -8.037 1.00 0.34 C ATOM 1269 NZ LYS B 351 1.348 11.327 -9.182 1.00 1.38 N ATOM 0 H LYS B 351 -2.507 12.502 -3.066 1.00 0.23 H new ATOM 0 HA LYS B 351 -0.872 14.583 -4.100 1.00 0.26 H new ATOM 0 HB2 LYS B 351 -0.465 12.168 -4.477 1.00 0.26 H new ATOM 0 HB3 LYS B 351 -1.964 12.025 -5.373 1.00 0.26 H new ATOM 0 HG2 LYS B 351 -1.100 13.711 -7.045 1.00 0.29 H new ATOM 0 HG3 LYS B 351 0.413 13.786 -6.164 1.00 0.29 H new ATOM 0 HD2 LYS B 351 0.361 11.125 -6.443 1.00 0.30 H new ATOM 0 HD3 LYS B 351 -0.733 11.481 -7.764 1.00 0.30 H new ATOM 0 HE2 LYS B 351 1.144 13.295 -8.404 1.00 0.34 H new ATOM 0 HE3 LYS B 351 2.180 12.247 -7.455 1.00 0.34 H new ATOM 0 HZ1 LYS B 351 2.157 11.583 -9.783 1.00 1.38 H new ATOM 0 HZ2 LYS B 351 1.477 10.360 -8.823 1.00 1.38 H new ATOM 0 HZ3 LYS B 351 0.472 11.375 -9.741 1.00 1.38 H new ATOM 1283 N ASP B 352 -3.722 14.163 -5.733 1.00 0.29 N ATOM 1284 CA ASP B 352 -4.648 14.872 -6.663 1.00 0.36 C ATOM 1285 C ASP B 352 -5.043 16.230 -6.074 1.00 0.40 C ATOM 1286 O ASP B 352 -5.167 17.209 -6.782 1.00 0.47 O ATOM 1287 CB ASP B 352 -5.904 14.024 -6.871 1.00 0.40 C ATOM 1288 CG ASP B 352 -5.558 12.804 -7.726 1.00 0.43 C ATOM 1289 OD1 ASP B 352 -4.841 12.971 -8.700 1.00 1.16 O ATOM 1290 OD2 ASP B 352 -6.015 11.723 -7.394 1.00 1.08 O ATOM 0 H ASP B 352 -4.035 13.240 -5.431 1.00 0.29 H new ATOM 0 HA ASP B 352 -4.146 15.029 -7.618 1.00 0.36 H new ATOM 0 HB2 ASP B 352 -6.304 13.705 -5.909 1.00 0.40 H new ATOM 0 HB3 ASP B 352 -6.679 14.616 -7.359 1.00 0.40 H new ATOM 1295 N ALA B 353 -5.252 16.295 -4.788 1.00 0.38 N ATOM 1296 CA ALA B 353 -5.649 17.590 -4.163 1.00 0.46 C ATOM 1297 C ALA B 353 -4.493 18.590 -4.258 1.00 0.51 C ATOM 1298 O ALA B 353 -4.696 19.787 -4.240 1.00 0.61 O ATOM 1299 CB ALA B 353 -6.002 17.359 -2.692 1.00 0.46 C ATOM 0 H ALA B 353 -5.165 15.509 -4.143 1.00 0.38 H new ATOM 0 HA ALA B 353 -6.515 17.991 -4.689 1.00 0.46 H new ATOM 0 HB1 ALA B 353 -6.292 18.305 -2.235 1.00 0.46 H new ATOM 0 HB2 ALA B 353 -6.830 16.653 -2.623 1.00 0.46 H new ATOM 0 HB3 ALA B 353 -5.136 16.954 -2.169 1.00 0.46 H new ATOM 1305 N GLN B 354 -3.284 18.112 -4.358 1.00 0.47 N ATOM 1306 CA GLN B 354 -2.122 19.043 -4.451 1.00 0.55 C ATOM 1307 C GLN B 354 -1.934 19.484 -5.905 1.00 0.60 C ATOM 1308 O GLN B 354 -1.243 20.443 -6.188 1.00 0.75 O ATOM 1309 CB GLN B 354 -0.859 18.328 -3.968 1.00 0.52 C ATOM 1310 CG GLN B 354 0.093 19.342 -3.331 1.00 1.14 C ATOM 1311 CD GLN B 354 1.158 18.604 -2.517 1.00 1.08 C ATOM 1312 OE1 GLN B 354 1.422 17.356 -2.791 1.00 1.45 O flip ATOM 1313 NE2 GLN B 354 1.755 19.170 -1.623 1.00 0.72 N flip ATOM 0 H GLN B 354 -3.049 17.120 -4.379 1.00 0.47 H new ATOM 0 HA GLN B 354 -2.307 19.918 -3.828 1.00 0.55 H new ATOM 0 HB2 GLN B 354 -1.120 17.555 -3.245 1.00 0.52 H new ATOM 0 HB3 GLN B 354 -0.369 17.829 -4.804 1.00 0.52 H new ATOM 0 HG2 GLN B 354 0.566 19.947 -4.104 1.00 1.14 H new ATOM 0 HG3 GLN B 354 -0.463 20.024 -2.688 1.00 1.14 H new ATOM 0 HE21 GLN B 354 1.548 20.146 -1.409 1.00 0.72 H new ATOM 0 HE22 GLN B 354 2.463 18.670 -1.086 1.00 0.72 H new ATOM 1519 N GLU C 326 15.437 -6.713 -13.306 1.00 0.49 N ATOM 1520 CA GLU C 326 16.420 -5.738 -12.763 1.00 0.44 C ATOM 1521 C GLU C 326 16.408 -5.799 -11.235 1.00 0.38 C ATOM 1522 O GLU C 326 15.765 -6.641 -10.639 1.00 0.37 O ATOM 1523 CB GLU C 326 16.038 -4.326 -13.214 1.00 0.47 C ATOM 1524 CG GLU C 326 16.439 -4.129 -14.678 1.00 0.53 C ATOM 1525 CD GLU C 326 17.964 -4.153 -14.797 1.00 1.38 C ATOM 1526 OE1 GLU C 326 18.613 -3.506 -13.992 1.00 2.13 O ATOM 1527 OE2 GLU C 326 18.458 -4.818 -15.694 1.00 2.17 O ATOM 0 HA GLU C 326 17.416 -5.984 -13.131 1.00 0.44 H new ATOM 0 HB2 GLU C 326 14.965 -4.174 -13.097 1.00 0.47 H new ATOM 0 HB3 GLU C 326 16.536 -3.586 -12.587 1.00 0.47 H new ATOM 0 HG2 GLU C 326 16.003 -4.915 -15.294 1.00 0.53 H new ATOM 0 HG3 GLU C 326 16.050 -3.181 -15.048 1.00 0.53 H new ATOM 1534 N TYR C 327 17.111 -4.906 -10.600 1.00 0.36 N ATOM 1535 CA TYR C 327 17.144 -4.895 -9.112 1.00 0.32 C ATOM 1536 C TYR C 327 17.287 -3.456 -8.623 1.00 0.29 C ATOM 1537 O TYR C 327 18.342 -2.860 -8.709 1.00 0.31 O ATOM 1538 CB TYR C 327 18.328 -5.723 -8.608 1.00 0.35 C ATOM 1539 CG TYR C 327 17.958 -7.187 -8.603 1.00 0.37 C ATOM 1540 CD1 TYR C 327 18.160 -7.975 -9.746 1.00 0.42 C ATOM 1541 CD2 TYR C 327 17.414 -7.760 -7.445 1.00 0.36 C ATOM 1542 CE1 TYR C 327 17.817 -9.334 -9.729 1.00 0.45 C ATOM 1543 CE2 TYR C 327 17.072 -9.118 -7.429 1.00 0.40 C ATOM 1544 CZ TYR C 327 17.274 -9.905 -8.570 1.00 0.44 C ATOM 1545 OH TYR C 327 16.938 -11.243 -8.552 1.00 0.48 O ATOM 0 H TYR C 327 17.667 -4.179 -11.050 1.00 0.36 H new ATOM 0 HA TYR C 327 16.219 -5.326 -8.729 1.00 0.32 H new ATOM 0 HB2 TYR C 327 19.197 -5.559 -9.246 1.00 0.35 H new ATOM 0 HB3 TYR C 327 18.606 -5.404 -7.603 1.00 0.35 H new ATOM 0 HD1 TYR C 327 18.580 -7.535 -10.639 1.00 0.42 H new ATOM 0 HD2 TYR C 327 17.259 -7.154 -6.565 1.00 0.36 H new ATOM 0 HE1 TYR C 327 17.971 -9.941 -10.609 1.00 0.45 H new ATOM 0 HE2 TYR C 327 16.652 -9.559 -6.537 1.00 0.40 H new ATOM 0 HH TYR C 327 16.576 -11.478 -7.672 1.00 0.48 H new ATOM 1555 N PHE C 328 16.232 -2.893 -8.107 1.00 0.26 N ATOM 1556 CA PHE C 328 16.302 -1.494 -7.609 1.00 0.24 C ATOM 1557 C PHE C 328 16.123 -1.499 -6.091 1.00 0.23 C ATOM 1558 O PHE C 328 16.105 -2.541 -5.465 1.00 0.24 O ATOM 1559 CB PHE C 328 15.191 -0.666 -8.256 1.00 0.23 C ATOM 1560 CG PHE C 328 15.223 -0.864 -9.754 1.00 0.25 C ATOM 1561 CD1 PHE C 328 16.061 -0.069 -10.548 1.00 0.29 C ATOM 1562 CD2 PHE C 328 14.417 -1.845 -10.348 1.00 0.26 C ATOM 1563 CE1 PHE C 328 16.093 -0.255 -11.936 1.00 0.33 C ATOM 1564 CE2 PHE C 328 14.449 -2.030 -11.737 1.00 0.29 C ATOM 1565 CZ PHE C 328 15.287 -1.235 -12.530 1.00 0.32 C ATOM 0 H PHE C 328 15.322 -3.343 -8.009 1.00 0.26 H new ATOM 0 HA PHE C 328 17.268 -1.057 -7.864 1.00 0.24 H new ATOM 0 HB2 PHE C 328 14.221 -0.966 -7.859 1.00 0.23 H new ATOM 0 HB3 PHE C 328 15.321 0.389 -8.015 1.00 0.23 H new ATOM 0 HD1 PHE C 328 16.682 0.687 -10.090 1.00 0.29 H new ATOM 0 HD2 PHE C 328 13.772 -2.458 -9.736 1.00 0.26 H new ATOM 0 HE1 PHE C 328 16.739 0.357 -12.548 1.00 0.33 H new ATOM 0 HE2 PHE C 328 13.828 -2.785 -12.196 1.00 0.29 H new ATOM 0 HZ PHE C 328 15.312 -1.378 -13.600 1.00 0.32 H new ATOM 1575 N THR C 329 15.992 -0.351 -5.490 1.00 0.22 N ATOM 1576 CA THR C 329 15.816 -0.309 -4.013 1.00 0.21 C ATOM 1577 C THR C 329 15.034 0.946 -3.624 1.00 0.20 C ATOM 1578 O THR C 329 14.581 1.692 -4.469 1.00 0.22 O ATOM 1579 CB THR C 329 17.190 -0.284 -3.338 1.00 0.21 C ATOM 1580 OG1 THR C 329 17.772 1.001 -3.504 1.00 0.23 O ATOM 1581 CG2 THR C 329 18.093 -1.342 -3.977 1.00 0.22 C ATOM 0 H THR C 329 15.999 0.557 -5.955 1.00 0.22 H new ATOM 0 HA THR C 329 15.266 -1.192 -3.688 1.00 0.21 H new ATOM 0 HB THR C 329 17.079 -0.499 -2.275 1.00 0.21 H new ATOM 0 HG1 THR C 329 18.651 1.020 -3.071 1.00 0.23 H new ATOM 0 HG21 THR C 329 19.071 -1.324 -3.496 1.00 0.22 H new ATOM 0 HG22 THR C 329 17.645 -2.327 -3.851 1.00 0.22 H new ATOM 0 HG23 THR C 329 18.207 -1.129 -5.040 1.00 0.22 H new ATOM 1589 N LEU C 330 14.867 1.181 -2.352 1.00 0.19 N ATOM 1590 CA LEU C 330 14.107 2.384 -1.914 1.00 0.19 C ATOM 1591 C LEU C 330 14.581 2.811 -0.522 1.00 0.19 C ATOM 1592 O LEU C 330 14.638 2.016 0.395 1.00 0.18 O ATOM 1593 CB LEU C 330 12.617 2.040 -1.868 1.00 0.19 C ATOM 1594 CG LEU C 330 11.807 3.288 -1.524 1.00 0.20 C ATOM 1595 CD1 LEU C 330 11.800 4.241 -2.720 1.00 0.28 C ATOM 1596 CD2 LEU C 330 10.369 2.881 -1.190 1.00 0.22 C ATOM 0 H LEU C 330 15.223 0.593 -1.599 1.00 0.19 H new ATOM 0 HA LEU C 330 14.274 3.203 -2.614 1.00 0.19 H new ATOM 0 HB2 LEU C 330 12.297 1.642 -2.831 1.00 0.19 H new ATOM 0 HB3 LEU C 330 12.437 1.263 -1.126 1.00 0.19 H new ATOM 0 HG LEU C 330 12.256 3.788 -0.666 1.00 0.20 H new ATOM 0 HD11 LEU C 330 11.221 5.131 -2.473 1.00 0.28 H new ATOM 0 HD12 LEU C 330 12.823 4.529 -2.962 1.00 0.28 H new ATOM 0 HD13 LEU C 330 11.350 3.743 -3.579 1.00 0.28 H new ATOM 0 HD21 LEU C 330 9.787 3.769 -0.944 1.00 0.22 H new ATOM 0 HD22 LEU C 330 9.923 2.382 -2.050 1.00 0.22 H new ATOM 0 HD23 LEU C 330 10.372 2.201 -0.338 1.00 0.22 H new ATOM 1608 N GLN C 331 14.916 4.061 -0.356 1.00 0.20 N ATOM 1609 CA GLN C 331 15.380 4.537 0.978 1.00 0.20 C ATOM 1610 C GLN C 331 14.175 4.995 1.802 1.00 0.21 C ATOM 1611 O GLN C 331 13.601 6.035 1.552 1.00 0.23 O ATOM 1612 CB GLN C 331 16.347 5.709 0.794 1.00 0.23 C ATOM 1613 CG GLN C 331 16.660 6.330 2.156 1.00 0.27 C ATOM 1614 CD GLN C 331 17.171 5.247 3.107 1.00 0.75 C ATOM 1615 OE1 GLN C 331 16.748 5.172 4.243 1.00 1.48 O ATOM 1616 NE2 GLN C 331 18.068 4.398 2.687 1.00 0.72 N ATOM 0 H GLN C 331 14.889 4.773 -1.086 1.00 0.20 H new ATOM 0 HA GLN C 331 15.889 3.725 1.497 1.00 0.20 H new ATOM 0 HB2 GLN C 331 17.266 5.365 0.319 1.00 0.23 H new ATOM 0 HB3 GLN C 331 15.908 6.457 0.134 1.00 0.23 H new ATOM 0 HG2 GLN C 331 17.409 7.115 2.046 1.00 0.27 H new ATOM 0 HG3 GLN C 331 15.766 6.798 2.568 1.00 0.27 H new ATOM 0 HE21 GLN C 331 18.423 4.461 1.733 1.00 0.72 H new ATOM 0 HE22 GLN C 331 18.414 3.671 3.313 1.00 0.72 H new ATOM 1625 N ILE C 332 13.785 4.226 2.783 1.00 0.20 N ATOM 1626 CA ILE C 332 12.616 4.624 3.617 1.00 0.21 C ATOM 1627 C ILE C 332 13.100 5.163 4.965 1.00 0.22 C ATOM 1628 O ILE C 332 13.571 4.425 5.807 1.00 0.24 O ATOM 1629 CB ILE C 332 11.716 3.410 3.847 1.00 0.20 C ATOM 1630 CG1 ILE C 332 11.308 2.818 2.496 1.00 0.22 C ATOM 1631 CG2 ILE C 332 10.464 3.841 4.614 1.00 0.22 C ATOM 1632 CD1 ILE C 332 10.595 1.482 2.718 1.00 0.19 C ATOM 0 H ILE C 332 14.224 3.342 3.042 1.00 0.20 H new ATOM 0 HA ILE C 332 12.054 5.402 3.100 1.00 0.21 H new ATOM 0 HB ILE C 332 12.256 2.660 4.426 1.00 0.20 H new ATOM 0 HG12 ILE C 332 10.651 3.509 1.968 1.00 0.22 H new ATOM 0 HG13 ILE C 332 12.188 2.673 1.870 1.00 0.22 H new ATOM 0 HG21 ILE C 332 9.822 2.976 4.778 1.00 0.22 H new ATOM 0 HG22 ILE C 332 10.754 4.265 5.575 1.00 0.22 H new ATOM 0 HG23 ILE C 332 9.923 4.590 4.036 1.00 0.22 H new ATOM 0 HD11 ILE C 332 10.304 1.060 1.756 1.00 0.19 H new ATOM 0 HD12 ILE C 332 11.266 0.792 3.229 1.00 0.19 H new ATOM 0 HD13 ILE C 332 9.706 1.641 3.328 1.00 0.19 H new ATOM 1644 N ARG C 333 12.986 6.446 5.176 1.00 0.24 N ATOM 1645 CA ARG C 333 13.438 7.033 6.470 1.00 0.25 C ATOM 1646 C ARG C 333 12.438 6.678 7.575 1.00 0.25 C ATOM 1647 O ARG C 333 11.283 6.404 7.317 1.00 0.26 O ATOM 1648 CB ARG C 333 13.528 8.556 6.334 1.00 0.28 C ATOM 1649 CG ARG C 333 14.419 8.911 5.142 1.00 0.40 C ATOM 1650 CD ARG C 333 13.545 9.243 3.931 1.00 0.89 C ATOM 1651 NE ARG C 333 14.209 10.297 3.112 1.00 1.35 N ATOM 1652 CZ ARG C 333 13.813 10.524 1.889 1.00 2.02 C ATOM 1653 NH1 ARG C 333 12.837 9.823 1.374 1.00 2.54 N ATOM 1654 NH2 ARG C 333 14.393 11.452 1.178 1.00 2.74 N ATOM 0 H ARG C 333 12.599 7.113 4.508 1.00 0.24 H new ATOM 0 HA ARG C 333 14.418 6.630 6.727 1.00 0.25 H new ATOM 0 HB2 ARG C 333 12.533 8.979 6.196 1.00 0.28 H new ATOM 0 HB3 ARG C 333 13.935 8.990 7.247 1.00 0.28 H new ATOM 0 HG2 ARG C 333 15.054 9.762 5.390 1.00 0.40 H new ATOM 0 HG3 ARG C 333 15.081 8.077 4.908 1.00 0.40 H new ATOM 0 HD2 ARG C 333 13.383 8.348 3.330 1.00 0.89 H new ATOM 0 HD3 ARG C 333 12.565 9.587 4.260 1.00 0.89 H new ATOM 0 HE ARG C 333 14.975 10.842 3.508 1.00 1.35 H new ATOM 0 HH11 ARG C 333 12.383 9.097 1.928 1.00 2.54 H new ATOM 0 HH12 ARG C 333 12.529 10.002 0.418 1.00 2.54 H new ATOM 0 HH21 ARG C 333 15.155 11.999 1.578 1.00 2.74 H new ATOM 0 HH22 ARG C 333 14.084 11.630 0.222 1.00 2.74 H new ATOM 1668 N GLY C 334 12.875 6.687 8.805 1.00 0.28 N ATOM 1669 CA GLY C 334 11.951 6.357 9.929 1.00 0.29 C ATOM 1670 C GLY C 334 11.732 4.845 9.996 1.00 0.30 C ATOM 1671 O GLY C 334 11.470 4.201 8.999 1.00 0.35 O ATOM 0 H GLY C 334 13.832 6.908 9.081 1.00 0.28 H new ATOM 0 HA2 GLY C 334 12.367 6.715 10.871 1.00 0.29 H new ATOM 0 HA3 GLY C 334 10.997 6.866 9.788 1.00 0.29 H new ATOM 1675 N ARG C 335 11.834 4.274 11.164 1.00 0.27 N ATOM 1676 CA ARG C 335 11.631 2.804 11.298 1.00 0.30 C ATOM 1677 C ARG C 335 10.134 2.488 11.270 1.00 0.29 C ATOM 1678 O ARG C 335 9.718 1.453 10.792 1.00 0.28 O ATOM 1679 CB ARG C 335 12.222 2.324 12.625 1.00 0.34 C ATOM 1680 CG ARG C 335 11.952 0.826 12.791 1.00 0.41 C ATOM 1681 CD ARG C 335 12.991 0.220 13.736 1.00 0.93 C ATOM 1682 NE ARG C 335 12.717 0.669 15.130 1.00 1.26 N ATOM 1683 CZ ARG C 335 13.276 0.055 16.139 1.00 1.89 C ATOM 1684 NH1 ARG C 335 14.075 -0.957 15.930 1.00 2.51 N ATOM 1685 NH2 ARG C 335 13.035 0.453 17.357 1.00 2.53 N ATOM 0 H ARG C 335 12.050 4.763 12.033 1.00 0.27 H new ATOM 0 HA ARG C 335 12.127 2.296 10.471 1.00 0.30 H new ATOM 0 HB2 ARG C 335 13.295 2.516 12.648 1.00 0.34 H new ATOM 0 HB3 ARG C 335 11.781 2.878 13.454 1.00 0.34 H new ATOM 0 HG2 ARG C 335 10.949 0.669 13.188 1.00 0.41 H new ATOM 0 HG3 ARG C 335 11.993 0.329 11.822 1.00 0.41 H new ATOM 0 HD2 ARG C 335 12.958 -0.868 13.680 1.00 0.93 H new ATOM 0 HD3 ARG C 335 13.993 0.525 13.435 1.00 0.93 H new ATOM 0 HE ARG C 335 12.092 1.457 15.297 1.00 1.26 H new ATOM 0 HH11 ARG C 335 14.264 -1.270 14.978 1.00 2.51 H new ATOM 0 HH12 ARG C 335 14.510 -1.435 16.719 1.00 2.51 H new ATOM 0 HH21 ARG C 335 12.411 1.243 17.521 1.00 2.53 H new ATOM 0 HH22 ARG C 335 13.471 -0.025 18.145 1.00 2.53 H new ATOM 1699 N GLU C 336 9.323 3.371 11.784 1.00 0.31 N ATOM 1700 CA GLU C 336 7.855 3.117 11.792 1.00 0.34 C ATOM 1701 C GLU C 336 7.366 2.877 10.362 1.00 0.34 C ATOM 1702 O GLU C 336 6.827 1.835 10.047 1.00 0.34 O ATOM 1703 CB GLU C 336 7.133 4.330 12.380 1.00 0.39 C ATOM 1704 CG GLU C 336 6.634 3.994 13.787 1.00 1.29 C ATOM 1705 CD GLU C 336 6.933 5.162 14.728 1.00 1.90 C ATOM 1706 OE1 GLU C 336 7.020 6.279 14.245 1.00 2.40 O ATOM 1707 OE2 GLU C 336 7.068 4.921 15.916 1.00 2.62 O ATOM 0 H GLU C 336 9.613 4.257 12.198 1.00 0.31 H new ATOM 0 HA GLU C 336 7.644 2.236 12.398 1.00 0.34 H new ATOM 0 HB2 GLU C 336 7.807 5.186 12.416 1.00 0.39 H new ATOM 0 HB3 GLU C 336 6.295 4.612 11.743 1.00 0.39 H new ATOM 0 HG2 GLU C 336 5.562 3.795 13.766 1.00 1.29 H new ATOM 0 HG3 GLU C 336 7.119 3.088 14.150 1.00 1.29 H new ATOM 1714 N ARG C 337 7.547 3.834 9.494 1.00 0.40 N ATOM 1715 CA ARG C 337 7.086 3.660 8.086 1.00 0.45 C ATOM 1716 C ARG C 337 7.815 2.475 7.448 1.00 0.38 C ATOM 1717 O ARG C 337 7.256 1.754 6.645 1.00 0.37 O ATOM 1718 CB ARG C 337 7.388 4.929 7.287 1.00 0.57 C ATOM 1719 CG ARG C 337 6.440 6.047 7.721 1.00 0.66 C ATOM 1720 CD ARG C 337 5.309 6.183 6.700 1.00 1.24 C ATOM 1721 NE ARG C 337 4.133 6.855 7.339 1.00 1.26 N ATOM 1722 CZ ARG C 337 3.607 6.397 8.444 1.00 2.05 C ATOM 1723 NH1 ARG C 337 3.968 5.233 8.915 1.00 2.81 N ATOM 1724 NH2 ARG C 337 2.677 7.081 9.049 1.00 2.60 N ATOM 0 H ARG C 337 7.994 4.728 9.698 1.00 0.40 H new ATOM 0 HA ARG C 337 6.012 3.472 8.081 1.00 0.45 H new ATOM 0 HB2 ARG C 337 8.422 5.233 7.446 1.00 0.57 H new ATOM 0 HB3 ARG C 337 7.273 4.735 6.221 1.00 0.57 H new ATOM 0 HG2 ARG C 337 6.030 5.828 8.707 1.00 0.66 H new ATOM 0 HG3 ARG C 337 6.984 6.988 7.804 1.00 0.66 H new ATOM 0 HD2 ARG C 337 5.649 6.762 5.841 1.00 1.24 H new ATOM 0 HD3 ARG C 337 5.021 5.200 6.328 1.00 1.24 H new ATOM 0 HE ARG C 337 3.735 7.687 6.903 1.00 1.26 H new ATOM 0 HH11 ARG C 337 4.664 4.676 8.420 1.00 2.81 H new ATOM 0 HH12 ARG C 337 3.554 4.881 9.778 1.00 2.81 H new ATOM 0 HH21 ARG C 337 2.363 7.970 8.660 1.00 2.60 H new ATOM 0 HH22 ARG C 337 2.263 6.727 9.912 1.00 2.60 H new ATOM 1738 N PHE C 338 9.057 2.269 7.791 1.00 0.36 N ATOM 1739 CA PHE C 338 9.810 1.132 7.192 1.00 0.34 C ATOM 1740 C PHE C 338 9.035 -0.168 7.410 1.00 0.28 C ATOM 1741 O PHE C 338 8.742 -0.886 6.480 1.00 0.26 O ATOM 1742 CB PHE C 338 11.187 1.015 7.849 1.00 0.35 C ATOM 1743 CG PHE C 338 11.942 -0.129 7.215 1.00 0.35 C ATOM 1744 CD1 PHE C 338 12.235 -0.101 5.845 1.00 0.36 C ATOM 1745 CD2 PHE C 338 12.345 -1.221 7.996 1.00 0.37 C ATOM 1746 CE1 PHE C 338 12.930 -1.164 5.255 1.00 0.38 C ATOM 1747 CE2 PHE C 338 13.041 -2.285 7.405 1.00 0.39 C ATOM 1748 CZ PHE C 338 13.333 -2.257 6.035 1.00 0.40 C ATOM 0 H PHE C 338 9.581 2.836 8.457 1.00 0.36 H new ATOM 0 HA PHE C 338 9.933 1.311 6.124 1.00 0.34 H new ATOM 0 HB2 PHE C 338 11.742 1.945 7.727 1.00 0.35 H new ATOM 0 HB3 PHE C 338 11.079 0.846 8.920 1.00 0.35 H new ATOM 0 HD1 PHE C 338 11.925 0.741 5.244 1.00 0.36 H new ATOM 0 HD2 PHE C 338 12.120 -1.243 9.052 1.00 0.37 H new ATOM 0 HE1 PHE C 338 13.156 -1.142 4.199 1.00 0.38 H new ATOM 0 HE2 PHE C 338 13.352 -3.127 8.006 1.00 0.39 H new ATOM 0 HZ PHE C 338 13.868 -3.077 5.580 1.00 0.40 H new ATOM 1758 N GLU C 339 8.703 -0.478 8.633 1.00 0.28 N ATOM 1759 CA GLU C 339 7.949 -1.733 8.906 1.00 0.25 C ATOM 1760 C GLU C 339 6.692 -1.788 8.032 1.00 0.22 C ATOM 1761 O GLU C 339 6.257 -2.845 7.622 1.00 0.21 O ATOM 1762 CB GLU C 339 7.543 -1.770 10.381 1.00 0.29 C ATOM 1763 CG GLU C 339 8.784 -1.978 11.249 1.00 0.33 C ATOM 1764 CD GLU C 339 8.450 -2.932 12.397 1.00 1.24 C ATOM 1765 OE1 GLU C 339 7.408 -2.751 13.006 1.00 2.05 O ATOM 1766 OE2 GLU C 339 9.240 -3.826 12.647 1.00 1.99 O ATOM 0 H GLU C 339 8.922 0.084 9.455 1.00 0.28 H new ATOM 0 HA GLU C 339 8.583 -2.589 8.676 1.00 0.25 H new ATOM 0 HB2 GLU C 339 7.047 -0.839 10.655 1.00 0.29 H new ATOM 0 HB3 GLU C 339 6.828 -2.575 10.552 1.00 0.29 H new ATOM 0 HG2 GLU C 339 9.597 -2.386 10.648 1.00 0.33 H new ATOM 0 HG3 GLU C 339 9.128 -1.022 11.645 1.00 0.33 H new ATOM 1773 N MET C 340 6.099 -0.659 7.755 1.00 0.23 N ATOM 1774 CA MET C 340 4.862 -0.648 6.919 1.00 0.22 C ATOM 1775 C MET C 340 5.174 -1.130 5.499 1.00 0.19 C ATOM 1776 O MET C 340 4.559 -2.051 4.998 1.00 0.19 O ATOM 1777 CB MET C 340 4.300 0.774 6.860 1.00 0.25 C ATOM 1778 CG MET C 340 2.831 0.728 6.433 1.00 0.28 C ATOM 1779 SD MET C 340 2.305 2.374 5.896 1.00 0.31 S ATOM 1780 CE MET C 340 3.070 2.337 4.255 1.00 0.32 C ATOM 0 H MET C 340 6.417 0.257 8.071 1.00 0.23 H new ATOM 0 HA MET C 340 4.128 -1.318 7.367 1.00 0.22 H new ATOM 0 HB2 MET C 340 4.391 1.253 7.835 1.00 0.25 H new ATOM 0 HB3 MET C 340 4.875 1.374 6.155 1.00 0.25 H new ATOM 0 HG2 MET C 340 2.699 0.011 5.623 1.00 0.28 H new ATOM 0 HG3 MET C 340 2.211 0.389 7.263 1.00 0.28 H new ATOM 0 HE1 MET C 340 3.710 3.211 4.132 1.00 0.32 H new ATOM 0 HE2 MET C 340 3.668 1.432 4.153 1.00 0.32 H new ATOM 0 HE3 MET C 340 2.293 2.346 3.491 1.00 0.32 H new ATOM 1790 N PHE C 341 6.113 -0.509 4.840 1.00 0.17 N ATOM 1791 CA PHE C 341 6.446 -0.926 3.447 1.00 0.16 C ATOM 1792 C PHE C 341 6.934 -2.379 3.435 1.00 0.16 C ATOM 1793 O PHE C 341 6.677 -3.120 2.509 1.00 0.17 O ATOM 1794 CB PHE C 341 7.545 -0.013 2.896 1.00 0.16 C ATOM 1795 CG PHE C 341 6.950 1.329 2.536 1.00 0.16 C ATOM 1796 CD1 PHE C 341 6.069 1.435 1.453 1.00 0.18 C ATOM 1797 CD2 PHE C 341 7.279 2.466 3.286 1.00 0.16 C ATOM 1798 CE1 PHE C 341 5.516 2.678 1.119 1.00 0.18 C ATOM 1799 CE2 PHE C 341 6.725 3.710 2.952 1.00 0.17 C ATOM 1800 CZ PHE C 341 5.844 3.815 1.868 1.00 0.17 C ATOM 0 H PHE C 341 6.664 0.268 5.204 1.00 0.17 H new ATOM 0 HA PHE C 341 5.554 -0.847 2.826 1.00 0.16 H new ATOM 0 HB2 PHE C 341 8.333 0.114 3.638 1.00 0.16 H new ATOM 0 HB3 PHE C 341 8.004 -0.467 2.018 1.00 0.16 H new ATOM 0 HD1 PHE C 341 5.816 0.558 0.875 1.00 0.18 H new ATOM 0 HD2 PHE C 341 7.959 2.384 4.121 1.00 0.16 H new ATOM 0 HE1 PHE C 341 4.836 2.760 0.284 1.00 0.18 H new ATOM 0 HE2 PHE C 341 6.977 4.587 3.530 1.00 0.17 H new ATOM 0 HZ PHE C 341 5.418 4.773 1.610 1.00 0.17 H new ATOM 1810 N ARG C 342 7.638 -2.788 4.452 1.00 0.18 N ATOM 1811 CA ARG C 342 8.147 -4.188 4.501 1.00 0.20 C ATOM 1812 C ARG C 342 6.994 -5.176 4.293 1.00 0.20 C ATOM 1813 O ARG C 342 7.083 -6.088 3.496 1.00 0.20 O ATOM 1814 CB ARG C 342 8.795 -4.443 5.865 1.00 0.24 C ATOM 1815 CG ARG C 342 9.519 -5.790 5.843 1.00 0.34 C ATOM 1816 CD ARG C 342 10.568 -5.826 6.956 1.00 0.96 C ATOM 1817 NE ARG C 342 11.762 -6.582 6.482 1.00 1.54 N ATOM 1818 CZ ARG C 342 12.888 -6.510 7.140 1.00 2.04 C ATOM 1819 NH1 ARG C 342 12.972 -5.782 8.221 1.00 2.35 N ATOM 1820 NH2 ARG C 342 13.932 -7.168 6.719 1.00 2.91 N ATOM 0 H ARG C 342 7.885 -2.211 5.256 1.00 0.18 H new ATOM 0 HA ARG C 342 8.883 -4.329 3.709 1.00 0.20 H new ATOM 0 HB2 ARG C 342 9.498 -3.644 6.100 1.00 0.24 H new ATOM 0 HB3 ARG C 342 8.035 -4.439 6.647 1.00 0.24 H new ATOM 0 HG2 ARG C 342 8.804 -6.601 5.977 1.00 0.34 H new ATOM 0 HG3 ARG C 342 9.996 -5.942 4.875 1.00 0.34 H new ATOM 0 HD2 ARG C 342 10.853 -4.812 7.236 1.00 0.96 H new ATOM 0 HD3 ARG C 342 10.154 -6.298 7.847 1.00 0.96 H new ATOM 0 HE ARG C 342 11.700 -7.157 5.642 1.00 1.54 H new ATOM 0 HH11 ARG C 342 12.157 -5.267 8.554 1.00 2.35 H new ATOM 0 HH12 ARG C 342 13.853 -5.728 8.732 1.00 2.35 H new ATOM 0 HH21 ARG C 342 13.869 -7.739 5.876 1.00 2.91 H new ATOM 0 HH22 ARG C 342 14.811 -7.112 7.233 1.00 2.91 H new ATOM 1834 N GLU C 343 5.919 -5.011 5.015 1.00 0.21 N ATOM 1835 CA GLU C 343 4.767 -5.949 4.870 1.00 0.23 C ATOM 1836 C GLU C 343 4.248 -5.934 3.429 1.00 0.18 C ATOM 1837 O GLU C 343 4.014 -6.968 2.834 1.00 0.18 O ATOM 1838 CB GLU C 343 3.643 -5.525 5.817 1.00 0.27 C ATOM 1839 CG GLU C 343 2.374 -6.311 5.485 1.00 0.31 C ATOM 1840 CD GLU C 343 1.696 -6.760 6.781 1.00 1.31 C ATOM 1841 OE1 GLU C 343 2.405 -7.007 7.742 1.00 2.14 O ATOM 1842 OE2 GLU C 343 0.479 -6.850 6.789 1.00 2.07 O ATOM 0 H GLU C 343 5.788 -4.267 5.700 1.00 0.21 H new ATOM 0 HA GLU C 343 5.099 -6.957 5.117 1.00 0.23 H new ATOM 0 HB2 GLU C 343 3.936 -5.707 6.851 1.00 0.27 H new ATOM 0 HB3 GLU C 343 3.457 -4.455 5.722 1.00 0.27 H new ATOM 0 HG2 GLU C 343 1.693 -5.692 4.902 1.00 0.31 H new ATOM 0 HG3 GLU C 343 2.621 -7.178 4.872 1.00 0.31 H new ATOM 1849 N LEU C 344 4.056 -4.774 2.864 1.00 0.17 N ATOM 1850 CA LEU C 344 3.540 -4.705 1.466 1.00 0.15 C ATOM 1851 C LEU C 344 4.516 -5.411 0.522 1.00 0.14 C ATOM 1852 O LEU C 344 4.127 -5.969 -0.485 1.00 0.15 O ATOM 1853 CB LEU C 344 3.395 -3.240 1.050 1.00 0.17 C ATOM 1854 CG LEU C 344 2.259 -2.594 1.845 1.00 0.16 C ATOM 1855 CD1 LEU C 344 2.291 -1.078 1.641 1.00 0.22 C ATOM 1856 CD2 LEU C 344 0.918 -3.145 1.355 1.00 0.20 C ATOM 0 H LEU C 344 4.233 -3.873 3.308 1.00 0.17 H new ATOM 0 HA LEU C 344 2.569 -5.197 1.413 1.00 0.15 H new ATOM 0 HB2 LEU C 344 4.328 -2.706 1.229 1.00 0.17 H new ATOM 0 HB3 LEU C 344 3.189 -3.173 -0.018 1.00 0.17 H new ATOM 0 HG LEU C 344 2.382 -2.821 2.904 1.00 0.16 H new ATOM 0 HD11 LEU C 344 1.482 -0.617 2.207 1.00 0.22 H new ATOM 0 HD12 LEU C 344 3.246 -0.684 1.988 1.00 0.22 H new ATOM 0 HD13 LEU C 344 2.168 -0.851 0.582 1.00 0.22 H new ATOM 0 HD21 LEU C 344 0.107 -2.686 1.921 1.00 0.20 H new ATOM 0 HD22 LEU C 344 0.796 -2.917 0.296 1.00 0.20 H new ATOM 0 HD23 LEU C 344 0.894 -4.225 1.499 1.00 0.20 H new ATOM 1868 N ASN C 345 5.780 -5.388 0.837 1.00 0.17 N ATOM 1869 CA ASN C 345 6.783 -6.054 -0.041 1.00 0.20 C ATOM 1870 C ASN C 345 6.455 -7.545 -0.171 1.00 0.17 C ATOM 1871 O ASN C 345 6.252 -8.055 -1.254 1.00 0.18 O ATOM 1872 CB ASN C 345 8.177 -5.891 0.570 1.00 0.26 C ATOM 1873 CG ASN C 345 9.198 -6.650 -0.277 1.00 0.29 C ATOM 1874 OD1 ASN C 345 9.938 -5.993 -1.127 1.00 1.08 O flip ATOM 1875 ND2 ASN C 345 9.326 -7.853 -0.165 1.00 0.71 N flip ATOM 0 H ASN C 345 6.164 -4.936 1.667 1.00 0.17 H new ATOM 0 HA ASN C 345 6.757 -5.595 -1.029 1.00 0.20 H new ATOM 0 HB2 ASN C 345 8.443 -4.835 0.619 1.00 0.26 H new ATOM 0 HB3 ASN C 345 8.184 -6.269 1.592 1.00 0.26 H new ATOM 0 HD21 ASN C 345 8.748 -8.368 0.499 1.00 0.71 H new ATOM 0 HD22 ASN C 345 10.012 -8.348 -0.735 1.00 0.71 H new ATOM 1882 N GLU C 346 6.416 -8.247 0.928 1.00 0.18 N ATOM 1883 CA GLU C 346 6.117 -9.708 0.875 1.00 0.17 C ATOM 1884 C GLU C 346 4.719 -9.944 0.297 1.00 0.15 C ATOM 1885 O GLU C 346 4.433 -10.992 -0.246 1.00 0.16 O ATOM 1886 CB GLU C 346 6.185 -10.288 2.290 1.00 0.21 C ATOM 1887 CG GLU C 346 6.001 -11.805 2.231 1.00 0.25 C ATOM 1888 CD GLU C 346 7.370 -12.481 2.143 1.00 1.42 C ATOM 1889 OE1 GLU C 346 8.336 -11.874 2.575 1.00 2.21 O ATOM 1890 OE2 GLU C 346 7.429 -13.594 1.646 1.00 2.20 O ATOM 0 H GLU C 346 6.578 -7.872 1.863 1.00 0.18 H new ATOM 0 HA GLU C 346 6.851 -10.198 0.235 1.00 0.17 H new ATOM 0 HB2 GLU C 346 7.144 -10.045 2.748 1.00 0.21 H new ATOM 0 HB3 GLU C 346 5.411 -9.842 2.915 1.00 0.21 H new ATOM 0 HG2 GLU C 346 5.468 -12.152 3.116 1.00 0.25 H new ATOM 0 HG3 GLU C 346 5.394 -12.075 1.367 1.00 0.25 H new ATOM 1897 N ALA C 347 3.841 -8.988 0.418 1.00 0.13 N ATOM 1898 CA ALA C 347 2.459 -9.174 -0.116 1.00 0.14 C ATOM 1899 C ALA C 347 2.506 -9.467 -1.620 1.00 0.16 C ATOM 1900 O ALA C 347 2.087 -10.515 -2.069 1.00 0.18 O ATOM 1901 CB ALA C 347 1.641 -7.906 0.133 1.00 0.15 C ATOM 0 H ALA C 347 4.018 -8.087 0.862 1.00 0.13 H new ATOM 0 HA ALA C 347 1.993 -10.017 0.394 1.00 0.14 H new ATOM 0 HB1 ALA C 347 0.632 -8.041 -0.257 1.00 0.15 H new ATOM 0 HB2 ALA C 347 1.593 -7.709 1.204 1.00 0.15 H new ATOM 0 HB3 ALA C 347 2.114 -7.063 -0.370 1.00 0.15 H new ATOM 1907 N LEU C 348 2.999 -8.546 -2.402 1.00 0.18 N ATOM 1908 CA LEU C 348 3.054 -8.772 -3.878 1.00 0.22 C ATOM 1909 C LEU C 348 3.935 -9.985 -4.190 1.00 0.22 C ATOM 1910 O LEU C 348 3.606 -10.800 -5.029 1.00 0.25 O ATOM 1911 CB LEU C 348 3.640 -7.534 -4.564 1.00 0.25 C ATOM 1912 CG LEU C 348 2.605 -6.406 -4.578 1.00 0.27 C ATOM 1913 CD1 LEU C 348 1.274 -6.934 -5.115 1.00 0.32 C ATOM 1914 CD2 LEU C 348 2.407 -5.879 -3.155 1.00 0.23 C ATOM 0 H LEU C 348 3.366 -7.648 -2.086 1.00 0.18 H new ATOM 0 HA LEU C 348 2.045 -8.955 -4.246 1.00 0.22 H new ATOM 0 HB2 LEU C 348 4.538 -7.208 -4.040 1.00 0.25 H new ATOM 0 HB3 LEU C 348 3.937 -7.779 -5.584 1.00 0.25 H new ATOM 0 HG LEU C 348 2.959 -5.600 -5.221 1.00 0.27 H new ATOM 0 HD11 LEU C 348 0.540 -6.128 -5.123 1.00 0.32 H new ATOM 0 HD12 LEU C 348 1.414 -7.308 -6.129 1.00 0.32 H new ATOM 0 HD13 LEU C 348 0.919 -7.742 -4.476 1.00 0.32 H new ATOM 0 HD21 LEU C 348 1.670 -5.076 -3.164 1.00 0.23 H new ATOM 0 HD22 LEU C 348 2.055 -6.687 -2.513 1.00 0.23 H new ATOM 0 HD23 LEU C 348 3.354 -5.498 -2.773 1.00 0.23 H new ATOM 1926 N GLU C 349 5.053 -10.111 -3.530 1.00 0.22 N ATOM 1927 CA GLU C 349 5.949 -11.271 -3.802 1.00 0.24 C ATOM 1928 C GLU C 349 5.184 -12.576 -3.582 1.00 0.22 C ATOM 1929 O GLU C 349 5.442 -13.574 -4.226 1.00 0.23 O ATOM 1930 CB GLU C 349 7.152 -11.220 -2.858 1.00 0.26 C ATOM 1931 CG GLU C 349 8.081 -10.078 -3.276 1.00 0.33 C ATOM 1932 CD GLU C 349 9.513 -10.401 -2.845 1.00 1.35 C ATOM 1933 OE1 GLU C 349 9.701 -11.417 -2.196 1.00 2.04 O ATOM 1934 OE2 GLU C 349 10.397 -9.626 -3.170 1.00 2.19 O ATOM 0 H GLU C 349 5.385 -9.463 -2.816 1.00 0.22 H new ATOM 0 HA GLU C 349 6.294 -11.225 -4.835 1.00 0.24 H new ATOM 0 HB2 GLU C 349 6.816 -11.073 -1.832 1.00 0.26 H new ATOM 0 HB3 GLU C 349 7.689 -12.168 -2.885 1.00 0.26 H new ATOM 0 HG2 GLU C 349 8.038 -9.937 -4.356 1.00 0.33 H new ATOM 0 HG3 GLU C 349 7.754 -9.144 -2.819 1.00 0.33 H new ATOM 1941 N LEU C 350 4.244 -12.582 -2.677 1.00 0.22 N ATOM 1942 CA LEU C 350 3.467 -13.825 -2.421 1.00 0.23 C ATOM 1943 C LEU C 350 2.691 -14.214 -3.681 1.00 0.23 C ATOM 1944 O LEU C 350 2.646 -15.364 -4.066 1.00 0.26 O ATOM 1945 CB LEU C 350 2.485 -13.585 -1.272 1.00 0.26 C ATOM 1946 CG LEU C 350 1.933 -14.924 -0.783 1.00 0.30 C ATOM 1947 CD1 LEU C 350 1.169 -14.713 0.524 1.00 0.46 C ATOM 1948 CD2 LEU C 350 0.987 -15.500 -1.839 1.00 0.38 C ATOM 0 H LEU C 350 3.981 -11.780 -2.105 1.00 0.22 H new ATOM 0 HA LEU C 350 4.151 -14.630 -2.154 1.00 0.23 H new ATOM 0 HB2 LEU C 350 2.985 -13.066 -0.455 1.00 0.26 H new ATOM 0 HB3 LEU C 350 1.669 -12.943 -1.605 1.00 0.26 H new ATOM 0 HG LEU C 350 2.757 -15.618 -0.614 1.00 0.30 H new ATOM 0 HD11 LEU C 350 0.775 -15.667 0.873 1.00 0.46 H new ATOM 0 HD12 LEU C 350 1.842 -14.301 1.276 1.00 0.46 H new ATOM 0 HD13 LEU C 350 0.345 -14.020 0.356 1.00 0.46 H new ATOM 0 HD21 LEU C 350 0.592 -16.455 -1.492 1.00 0.38 H new ATOM 0 HD22 LEU C 350 0.163 -14.806 -2.007 1.00 0.38 H new ATOM 0 HD23 LEU C 350 1.531 -15.650 -2.772 1.00 0.38 H new ATOM 1960 N LYS C 351 2.081 -13.260 -4.326 1.00 0.23 N ATOM 1961 CA LYS C 351 1.304 -13.570 -5.558 1.00 0.25 C ATOM 1962 C LYS C 351 2.220 -14.216 -6.601 1.00 0.27 C ATOM 1963 O LYS C 351 1.867 -15.192 -7.234 1.00 0.32 O ATOM 1964 CB LYS C 351 0.723 -12.274 -6.124 1.00 0.26 C ATOM 1965 CG LYS C 351 -0.186 -12.595 -7.311 1.00 0.28 C ATOM 1966 CD LYS C 351 -1.245 -11.500 -7.453 1.00 0.35 C ATOM 1967 CE LYS C 351 -2.514 -12.097 -8.064 1.00 0.41 C ATOM 1968 NZ LYS C 351 -3.636 -11.982 -7.091 1.00 1.35 N ATOM 0 H LYS C 351 2.087 -12.277 -4.053 1.00 0.23 H new ATOM 0 HA LYS C 351 0.497 -14.261 -5.314 1.00 0.25 H new ATOM 0 HB2 LYS C 351 0.159 -11.749 -5.353 1.00 0.26 H new ATOM 0 HB3 LYS C 351 1.528 -11.610 -6.439 1.00 0.26 H new ATOM 0 HG2 LYS C 351 0.403 -12.667 -8.225 1.00 0.28 H new ATOM 0 HG3 LYS C 351 -0.666 -13.563 -7.164 1.00 0.28 H new ATOM 0 HD2 LYS C 351 -1.467 -11.065 -6.479 1.00 0.35 H new ATOM 0 HD3 LYS C 351 -0.869 -10.694 -8.083 1.00 0.35 H new ATOM 0 HE2 LYS C 351 -2.765 -11.576 -8.988 1.00 0.41 H new ATOM 0 HE3 LYS C 351 -2.349 -13.143 -8.322 1.00 0.41 H new ATOM 0 HZ1 LYS C 351 -4.499 -12.388 -7.506 1.00 1.35 H new ATOM 0 HZ2 LYS C 351 -3.395 -12.498 -6.221 1.00 1.35 H new ATOM 0 HZ3 LYS C 351 -3.799 -10.980 -6.866 1.00 1.35 H new ATOM 1982 N ASP C 352 3.394 -13.678 -6.791 1.00 0.28 N ATOM 1983 CA ASP C 352 4.329 -14.257 -7.796 1.00 0.34 C ATOM 1984 C ASP C 352 4.555 -15.742 -7.504 1.00 0.36 C ATOM 1985 O ASP C 352 4.543 -16.568 -8.395 1.00 0.43 O ATOM 1986 CB ASP C 352 5.667 -13.519 -7.732 1.00 0.39 C ATOM 1987 CG ASP C 352 5.550 -12.183 -8.467 1.00 0.46 C ATOM 1988 OD1 ASP C 352 4.531 -11.965 -9.101 1.00 1.19 O ATOM 1989 OD2 ASP C 352 6.482 -11.399 -8.384 1.00 1.10 O ATOM 0 H ASP C 352 3.746 -12.861 -6.292 1.00 0.28 H new ATOM 0 HA ASP C 352 3.896 -14.148 -8.790 1.00 0.34 H new ATOM 0 HB2 ASP C 352 5.952 -13.351 -6.693 1.00 0.39 H new ATOM 0 HB3 ASP C 352 6.451 -14.127 -8.183 1.00 0.39 H new ATOM 1994 N ALA C 353 4.769 -16.090 -6.266 1.00 0.35 N ATOM 1995 CA ALA C 353 5.004 -17.521 -5.925 1.00 0.43 C ATOM 1996 C ALA C 353 3.728 -18.330 -6.171 1.00 0.47 C ATOM 1997 O ALA C 353 3.777 -19.501 -6.495 1.00 0.57 O ATOM 1998 CB ALA C 353 5.403 -17.635 -4.452 1.00 0.45 C ATOM 0 H ALA C 353 4.791 -15.446 -5.476 1.00 0.35 H new ATOM 0 HA ALA C 353 5.804 -17.913 -6.553 1.00 0.43 H new ATOM 0 HB1 ALA C 353 5.575 -18.682 -4.202 1.00 0.45 H new ATOM 0 HB2 ALA C 353 6.316 -17.065 -4.277 1.00 0.45 H new ATOM 0 HB3 ALA C 353 4.603 -17.239 -3.827 1.00 0.45 H new ATOM 2218 N GLU D 326 -15.599 -7.428 12.241 1.00 0.46 N ATOM 2219 CA GLU D 326 -16.616 -6.408 11.868 1.00 0.43 C ATOM 2220 C GLU D 326 -16.680 -6.289 10.345 1.00 0.38 C ATOM 2221 O GLU D 326 -16.108 -7.084 9.626 1.00 0.37 O ATOM 2222 CB GLU D 326 -16.226 -5.057 12.471 1.00 0.44 C ATOM 2223 CG GLU D 326 -16.410 -5.102 13.989 1.00 0.49 C ATOM 2224 CD GLU D 326 -17.769 -4.502 14.356 1.00 1.38 C ATOM 2225 OE1 GLU D 326 -18.254 -3.677 13.601 1.00 2.12 O ATOM 2226 OE2 GLU D 326 -18.300 -4.877 15.389 1.00 2.13 O ATOM 0 HA GLU D 326 -17.592 -6.708 12.250 1.00 0.43 H new ATOM 0 HB2 GLU D 326 -15.190 -4.824 12.227 1.00 0.44 H new ATOM 0 HB3 GLU D 326 -16.841 -4.265 12.043 1.00 0.44 H new ATOM 0 HG2 GLU D 326 -16.347 -6.131 14.343 1.00 0.49 H new ATOM 0 HG3 GLU D 326 -15.611 -4.546 14.480 1.00 0.49 H new ATOM 2233 N TYR D 327 -17.372 -5.302 9.846 1.00 0.35 N ATOM 2234 CA TYR D 327 -17.471 -5.135 8.369 1.00 0.31 C ATOM 2235 C TYR D 327 -17.597 -3.651 8.025 1.00 0.28 C ATOM 2236 O TYR D 327 -18.608 -3.027 8.279 1.00 0.29 O ATOM 2237 CB TYR D 327 -18.701 -5.880 7.849 1.00 0.33 C ATOM 2238 CG TYR D 327 -18.379 -7.346 7.702 1.00 0.35 C ATOM 2239 CD1 TYR D 327 -18.589 -8.225 8.772 1.00 0.40 C ATOM 2240 CD2 TYR D 327 -17.870 -7.828 6.487 1.00 0.35 C ATOM 2241 CE1 TYR D 327 -18.292 -9.588 8.627 1.00 0.43 C ATOM 2242 CE2 TYR D 327 -17.572 -9.188 6.343 1.00 0.39 C ATOM 2243 CZ TYR D 327 -17.783 -10.069 7.412 1.00 0.43 C ATOM 2244 OH TYR D 327 -17.494 -11.410 7.269 1.00 0.47 O ATOM 0 H TYR D 327 -17.873 -4.605 10.397 1.00 0.35 H new ATOM 0 HA TYR D 327 -16.574 -5.541 7.903 1.00 0.31 H new ATOM 0 HB2 TYR D 327 -19.536 -5.748 8.537 1.00 0.33 H new ATOM 0 HB3 TYR D 327 -19.010 -5.467 6.889 1.00 0.33 H new ATOM 0 HD1 TYR D 327 -18.979 -7.854 9.708 1.00 0.40 H new ATOM 0 HD2 TYR D 327 -17.708 -7.150 5.662 1.00 0.35 H new ATOM 0 HE1 TYR D 327 -18.455 -10.267 9.451 1.00 0.43 H new ATOM 0 HE2 TYR D 327 -17.179 -9.558 5.408 1.00 0.39 H new ATOM 0 HH TYR D 327 -17.383 -11.621 6.318 1.00 0.47 H new ATOM 2254 N PHE D 328 -16.579 -3.084 7.441 1.00 0.25 N ATOM 2255 CA PHE D 328 -16.638 -1.643 7.072 1.00 0.23 C ATOM 2256 C PHE D 328 -16.612 -1.516 5.547 1.00 0.22 C ATOM 2257 O PHE D 328 -16.755 -2.489 4.834 1.00 0.22 O ATOM 2258 CB PHE D 328 -15.435 -0.912 7.671 1.00 0.22 C ATOM 2259 CG PHE D 328 -15.219 -1.382 9.090 1.00 0.24 C ATOM 2260 CD1 PHE D 328 -14.554 -2.590 9.334 1.00 0.24 C ATOM 2261 CD2 PHE D 328 -15.686 -0.610 10.163 1.00 0.27 C ATOM 2262 CE1 PHE D 328 -14.355 -3.027 10.649 1.00 0.27 C ATOM 2263 CE2 PHE D 328 -15.488 -1.047 11.478 1.00 0.30 C ATOM 2264 CZ PHE D 328 -14.822 -2.256 11.723 1.00 0.30 C ATOM 0 H PHE D 328 -15.707 -3.557 7.203 1.00 0.25 H new ATOM 0 HA PHE D 328 -17.555 -1.200 7.460 1.00 0.23 H new ATOM 0 HB2 PHE D 328 -14.544 -1.104 7.073 1.00 0.22 H new ATOM 0 HB3 PHE D 328 -15.604 0.165 7.654 1.00 0.22 H new ATOM 0 HD1 PHE D 328 -14.194 -3.185 8.507 1.00 0.24 H new ATOM 0 HD2 PHE D 328 -16.199 0.322 9.975 1.00 0.27 H new ATOM 0 HE1 PHE D 328 -13.842 -3.958 10.836 1.00 0.27 H new ATOM 0 HE2 PHE D 328 -15.849 -0.452 12.304 1.00 0.30 H new ATOM 0 HZ PHE D 328 -14.669 -2.593 12.738 1.00 0.30 H new ATOM 2274 N THR D 329 -16.434 -0.328 5.041 1.00 0.21 N ATOM 2275 CA THR D 329 -16.404 -0.154 3.561 1.00 0.21 C ATOM 2276 C THR D 329 -15.590 1.091 3.207 1.00 0.21 C ATOM 2277 O THR D 329 -15.205 1.859 4.065 1.00 0.22 O ATOM 2278 CB THR D 329 -17.834 0.003 3.039 1.00 0.21 C ATOM 2279 OG1 THR D 329 -18.510 0.990 3.805 1.00 0.22 O ATOM 2280 CG2 THR D 329 -18.570 -1.332 3.158 1.00 0.21 C ATOM 0 H THR D 329 -16.309 0.526 5.584 1.00 0.21 H new ATOM 0 HA THR D 329 -15.943 -1.028 3.102 1.00 0.21 H new ATOM 0 HB THR D 329 -17.809 0.310 1.993 1.00 0.21 H new ATOM 0 HG1 THR D 329 -19.426 1.093 3.471 1.00 0.22 H new ATOM 0 HG21 THR D 329 -19.589 -1.220 2.786 1.00 0.21 H new ATOM 0 HG22 THR D 329 -18.050 -2.088 2.570 1.00 0.21 H new ATOM 0 HG23 THR D 329 -18.597 -1.641 4.203 1.00 0.21 H new ATOM 2288 N LEU D 330 -15.326 1.296 1.946 1.00 0.19 N ATOM 2289 CA LEU D 330 -14.536 2.490 1.534 1.00 0.20 C ATOM 2290 C LEU D 330 -14.956 2.915 0.126 1.00 0.20 C ATOM 2291 O LEU D 330 -15.003 2.114 -0.784 1.00 0.19 O ATOM 2292 CB LEU D 330 -13.049 2.135 1.536 1.00 0.20 C ATOM 2293 CG LEU D 330 -12.234 3.344 1.079 1.00 0.21 C ATOM 2294 CD1 LEU D 330 -12.225 4.401 2.186 1.00 0.28 C ATOM 2295 CD2 LEU D 330 -10.799 2.904 0.782 1.00 0.22 C ATOM 0 H LEU D 330 -15.623 0.688 1.183 1.00 0.19 H new ATOM 0 HA LEU D 330 -14.718 3.309 2.230 1.00 0.20 H new ATOM 0 HB2 LEU D 330 -12.738 1.831 2.536 1.00 0.20 H new ATOM 0 HB3 LEU D 330 -12.866 1.289 0.874 1.00 0.20 H new ATOM 0 HG LEU D 330 -12.680 3.766 0.179 1.00 0.21 H new ATOM 0 HD11 LEU D 330 -11.644 5.264 1.861 1.00 0.28 H new ATOM 0 HD12 LEU D 330 -13.247 4.712 2.400 1.00 0.28 H new ATOM 0 HD13 LEU D 330 -11.777 3.981 3.087 1.00 0.28 H new ATOM 0 HD21 LEU D 330 -10.215 3.764 0.456 1.00 0.22 H new ATOM 0 HD22 LEU D 330 -10.353 2.484 1.684 1.00 0.22 H new ATOM 0 HD23 LEU D 330 -10.805 2.150 -0.005 1.00 0.22 H new ATOM 2307 N GLN D 331 -15.262 4.170 -0.060 1.00 0.21 N ATOM 2308 CA GLN D 331 -15.677 4.640 -1.411 1.00 0.22 C ATOM 2309 C GLN D 331 -14.438 5.019 -2.225 1.00 0.22 C ATOM 2310 O GLN D 331 -13.741 5.962 -1.908 1.00 0.23 O ATOM 2311 CB GLN D 331 -16.585 5.863 -1.269 1.00 0.23 C ATOM 2312 CG GLN D 331 -17.293 6.130 -2.598 1.00 0.30 C ATOM 2313 CD GLN D 331 -18.781 5.805 -2.456 1.00 0.44 C ATOM 2314 OE1 GLN D 331 -19.462 6.376 -1.628 1.00 0.93 O ATOM 2315 NE2 GLN D 331 -19.315 4.905 -3.233 1.00 0.28 N ATOM 0 H GLN D 331 -15.243 4.888 0.664 1.00 0.21 H new ATOM 0 HA GLN D 331 -16.217 3.842 -1.921 1.00 0.22 H new ATOM 0 HB2 GLN D 331 -17.319 5.695 -0.481 1.00 0.23 H new ATOM 0 HB3 GLN D 331 -15.998 6.733 -0.976 1.00 0.23 H new ATOM 0 HG2 GLN D 331 -17.163 7.173 -2.889 1.00 0.30 H new ATOM 0 HG3 GLN D 331 -16.850 5.522 -3.387 1.00 0.30 H new ATOM 0 HE21 GLN D 331 -18.742 4.426 -3.928 1.00 0.28 H new ATOM 0 HE22 GLN D 331 -20.306 4.679 -3.146 1.00 0.28 H new ATOM 2324 N ILE D 332 -14.159 4.294 -3.273 1.00 0.21 N ATOM 2325 CA ILE D 332 -12.966 4.620 -4.103 1.00 0.22 C ATOM 2326 C ILE D 332 -13.415 5.326 -5.384 1.00 0.24 C ATOM 2327 O ILE D 332 -13.848 4.698 -6.330 1.00 0.25 O ATOM 2328 CB ILE D 332 -12.227 3.330 -4.468 1.00 0.22 C ATOM 2329 CG1 ILE D 332 -11.674 2.683 -3.197 1.00 0.20 C ATOM 2330 CG2 ILE D 332 -11.073 3.656 -5.417 1.00 0.25 C ATOM 2331 CD1 ILE D 332 -11.198 1.264 -3.513 1.00 0.24 C ATOM 0 H ILE D 332 -14.704 3.492 -3.590 1.00 0.21 H new ATOM 0 HA ILE D 332 -12.300 5.273 -3.539 1.00 0.22 H new ATOM 0 HB ILE D 332 -12.916 2.641 -4.956 1.00 0.22 H new ATOM 0 HG12 ILE D 332 -10.848 3.276 -2.804 1.00 0.20 H new ATOM 0 HG13 ILE D 332 -12.443 2.657 -2.425 1.00 0.20 H new ATOM 0 HG21 ILE D 332 -10.546 2.738 -5.678 1.00 0.25 H new ATOM 0 HG22 ILE D 332 -11.466 4.118 -6.322 1.00 0.25 H new ATOM 0 HG23 ILE D 332 -10.383 4.344 -4.928 1.00 0.25 H new ATOM 0 HD11 ILE D 332 -10.804 0.802 -2.608 1.00 0.24 H new ATOM 0 HD12 ILE D 332 -12.035 0.674 -3.886 1.00 0.24 H new ATOM 0 HD13 ILE D 332 -10.415 1.303 -4.271 1.00 0.24 H new ATOM 2343 N ARG D 333 -13.311 6.625 -5.425 1.00 0.25 N ATOM 2344 CA ARG D 333 -13.728 7.362 -6.648 1.00 0.27 C ATOM 2345 C ARG D 333 -12.713 7.106 -7.760 1.00 0.27 C ATOM 2346 O ARG D 333 -11.532 6.965 -7.516 1.00 0.27 O ATOM 2347 CB ARG D 333 -13.788 8.860 -6.347 1.00 0.32 C ATOM 2348 CG ARG D 333 -14.574 9.089 -5.056 1.00 0.42 C ATOM 2349 CD ARG D 333 -14.712 10.591 -4.804 1.00 0.69 C ATOM 2350 NE ARG D 333 -14.673 10.856 -3.338 1.00 1.45 N ATOM 2351 CZ ARG D 333 -14.473 12.069 -2.897 1.00 1.96 C ATOM 2352 NH1 ARG D 333 -14.315 13.057 -3.738 1.00 2.18 N ATOM 2353 NH2 ARG D 333 -14.437 12.296 -1.612 1.00 2.93 N ATOM 0 H ARG D 333 -12.956 7.206 -4.666 1.00 0.25 H new ATOM 0 HA ARG D 333 -14.713 7.018 -6.964 1.00 0.27 H new ATOM 0 HB2 ARG D 333 -12.780 9.263 -6.248 1.00 0.32 H new ATOM 0 HB3 ARG D 333 -14.263 9.389 -7.173 1.00 0.32 H new ATOM 0 HG2 ARG D 333 -15.560 8.630 -5.131 1.00 0.42 H new ATOM 0 HG3 ARG D 333 -14.064 8.614 -4.218 1.00 0.42 H new ATOM 0 HD2 ARG D 333 -13.906 11.130 -5.303 1.00 0.69 H new ATOM 0 HD3 ARG D 333 -15.648 10.956 -5.225 1.00 0.69 H new ATOM 0 HE ARG D 333 -14.803 10.089 -2.678 1.00 1.45 H new ATOM 0 HH11 ARG D 333 -14.348 12.882 -4.742 1.00 2.18 H new ATOM 0 HH12 ARG D 333 -14.159 14.003 -3.390 1.00 2.18 H new ATOM 0 HH21 ARG D 333 -14.565 11.527 -0.954 1.00 2.93 H new ATOM 0 HH22 ARG D 333 -14.281 13.243 -1.266 1.00 2.93 H new ATOM 2367 N GLY D 334 -13.165 7.043 -8.980 1.00 0.30 N ATOM 2368 CA GLY D 334 -12.223 6.794 -10.107 1.00 0.32 C ATOM 2369 C GLY D 334 -11.959 5.293 -10.230 1.00 0.34 C ATOM 2370 O GLY D 334 -11.491 4.655 -9.307 1.00 0.41 O ATOM 0 H GLY D 334 -14.144 7.153 -9.246 1.00 0.30 H new ATOM 0 HA2 GLY D 334 -12.643 7.177 -11.037 1.00 0.32 H new ATOM 0 HA3 GLY D 334 -11.287 7.326 -9.937 1.00 0.32 H new ATOM 2374 N ARG D 335 -12.256 4.725 -11.364 1.00 0.31 N ATOM 2375 CA ARG D 335 -12.026 3.265 -11.553 1.00 0.35 C ATOM 2376 C ARG D 335 -10.521 2.982 -11.589 1.00 0.33 C ATOM 2377 O ARG D 335 -10.071 1.921 -11.206 1.00 0.31 O ATOM 2378 CB ARG D 335 -12.663 2.826 -12.874 1.00 0.39 C ATOM 2379 CG ARG D 335 -12.884 1.311 -12.864 1.00 0.49 C ATOM 2380 CD ARG D 335 -12.487 0.736 -14.224 1.00 0.94 C ATOM 2381 NE ARG D 335 -13.619 0.907 -15.190 1.00 1.55 N ATOM 2382 CZ ARG D 335 -14.817 0.464 -14.917 1.00 2.13 C ATOM 2383 NH1 ARG D 335 -15.016 -0.311 -13.885 1.00 2.45 N ATOM 2384 NH2 ARG D 335 -15.811 0.753 -15.711 1.00 3.03 N ATOM 0 H ARG D 335 -12.649 5.209 -12.171 1.00 0.31 H new ATOM 0 HA ARG D 335 -12.474 2.712 -10.727 1.00 0.35 H new ATOM 0 HB2 ARG D 335 -13.613 3.340 -13.019 1.00 0.39 H new ATOM 0 HB3 ARG D 335 -12.019 3.104 -13.709 1.00 0.39 H new ATOM 0 HG2 ARG D 335 -12.291 0.850 -12.074 1.00 0.49 H new ATOM 0 HG3 ARG D 335 -13.929 1.085 -12.651 1.00 0.49 H new ATOM 0 HD2 ARG D 335 -11.597 1.241 -14.598 1.00 0.94 H new ATOM 0 HD3 ARG D 335 -12.236 -0.320 -14.125 1.00 0.94 H new ATOM 0 HE ARG D 335 -13.451 1.379 -16.079 1.00 1.55 H new ATOM 0 HH11 ARG D 335 -14.233 -0.574 -13.286 1.00 2.45 H new ATOM 0 HH12 ARG D 335 -15.954 -0.653 -13.678 1.00 2.45 H new ATOM 0 HH21 ARG D 335 -15.651 1.323 -16.542 1.00 3.03 H new ATOM 0 HH22 ARG D 335 -16.748 0.409 -15.501 1.00 3.03 H new ATOM 2398 N GLU D 336 -9.741 3.921 -12.050 1.00 0.36 N ATOM 2399 CA GLU D 336 -8.267 3.703 -12.116 1.00 0.38 C ATOM 2400 C GLU D 336 -7.720 3.406 -10.718 1.00 0.38 C ATOM 2401 O GLU D 336 -7.237 2.323 -10.448 1.00 0.39 O ATOM 2402 CB GLU D 336 -7.592 4.960 -12.669 1.00 0.45 C ATOM 2403 CG GLU D 336 -6.284 4.573 -13.360 1.00 1.31 C ATOM 2404 CD GLU D 336 -5.826 5.720 -14.262 1.00 1.71 C ATOM 2405 OE1 GLU D 336 -6.599 6.646 -14.447 1.00 2.21 O ATOM 2406 OE2 GLU D 336 -4.711 5.654 -14.751 1.00 2.26 O ATOM 0 H GLU D 336 -10.060 4.830 -12.384 1.00 0.36 H new ATOM 0 HA GLU D 336 -8.059 2.856 -12.769 1.00 0.38 H new ATOM 0 HB2 GLU D 336 -8.254 5.461 -13.375 1.00 0.45 H new ATOM 0 HB3 GLU D 336 -7.395 5.665 -11.862 1.00 0.45 H new ATOM 0 HG2 GLU D 336 -5.518 4.353 -12.616 1.00 1.31 H new ATOM 0 HG3 GLU D 336 -6.426 3.667 -13.949 1.00 1.31 H new ATOM 2413 N ARG D 337 -7.785 4.358 -9.827 1.00 0.43 N ATOM 2414 CA ARG D 337 -7.264 4.123 -8.450 1.00 0.49 C ATOM 2415 C ARG D 337 -8.012 2.950 -7.819 1.00 0.40 C ATOM 2416 O ARG D 337 -7.477 2.221 -7.009 1.00 0.38 O ATOM 2417 CB ARG D 337 -7.482 5.376 -7.598 1.00 0.63 C ATOM 2418 CG ARG D 337 -6.612 6.517 -8.131 1.00 0.77 C ATOM 2419 CD ARG D 337 -6.056 7.348 -6.967 1.00 1.09 C ATOM 2420 NE ARG D 337 -6.909 7.178 -5.741 1.00 1.38 N ATOM 2421 CZ ARG D 337 -8.204 7.357 -5.777 1.00 2.18 C ATOM 2422 NH1 ARG D 337 -8.782 7.845 -6.842 1.00 2.72 N ATOM 2423 NH2 ARG D 337 -8.921 7.093 -4.718 1.00 2.92 N ATOM 0 H ARG D 337 -8.175 5.286 -9.992 1.00 0.43 H new ATOM 0 HA ARG D 337 -6.199 3.897 -8.500 1.00 0.49 H new ATOM 0 HB2 ARG D 337 -8.533 5.665 -7.621 1.00 0.63 H new ATOM 0 HB3 ARG D 337 -7.231 5.169 -6.558 1.00 0.63 H new ATOM 0 HG2 ARG D 337 -5.791 6.112 -8.723 1.00 0.77 H new ATOM 0 HG3 ARG D 337 -7.199 7.153 -8.793 1.00 0.77 H new ATOM 0 HD2 ARG D 337 -5.033 7.041 -6.750 1.00 1.09 H new ATOM 0 HD3 ARG D 337 -6.020 8.400 -7.249 1.00 1.09 H new ATOM 0 HE ARG D 337 -6.467 6.917 -4.860 1.00 1.38 H new ATOM 0 HH11 ARG D 337 -8.222 8.091 -7.658 1.00 2.72 H new ATOM 0 HH12 ARG D 337 -9.793 7.980 -6.857 1.00 2.72 H new ATOM 0 HH21 ARG D 337 -8.471 6.750 -3.870 1.00 2.92 H new ATOM 0 HH22 ARG D 337 -9.931 7.230 -4.739 1.00 2.92 H new ATOM 2437 N PHE D 338 -9.249 2.765 -8.186 1.00 0.37 N ATOM 2438 CA PHE D 338 -10.038 1.641 -7.610 1.00 0.33 C ATOM 2439 C PHE D 338 -9.288 0.324 -7.823 1.00 0.27 C ATOM 2440 O PHE D 338 -8.982 -0.383 -6.886 1.00 0.26 O ATOM 2441 CB PHE D 338 -11.399 1.572 -8.305 1.00 0.34 C ATOM 2442 CG PHE D 338 -12.131 0.330 -7.859 1.00 0.33 C ATOM 2443 CD1 PHE D 338 -12.535 0.196 -6.524 1.00 0.33 C ATOM 2444 CD2 PHE D 338 -12.407 -0.688 -8.781 1.00 0.35 C ATOM 2445 CE1 PHE D 338 -13.217 -0.957 -6.111 1.00 0.34 C ATOM 2446 CE2 PHE D 338 -13.087 -1.841 -8.368 1.00 0.37 C ATOM 2447 CZ PHE D 338 -13.492 -1.975 -7.033 1.00 0.35 C ATOM 0 H PHE D 338 -9.748 3.344 -8.861 1.00 0.37 H new ATOM 0 HA PHE D 338 -10.180 1.805 -6.542 1.00 0.33 H new ATOM 0 HB2 PHE D 338 -11.986 2.458 -8.066 1.00 0.34 H new ATOM 0 HB3 PHE D 338 -11.266 1.560 -9.387 1.00 0.34 H new ATOM 0 HD1 PHE D 338 -12.321 0.981 -5.813 1.00 0.33 H new ATOM 0 HD2 PHE D 338 -12.096 -0.584 -9.810 1.00 0.35 H new ATOM 0 HE1 PHE D 338 -13.530 -1.060 -5.083 1.00 0.34 H new ATOM 0 HE2 PHE D 338 -13.299 -2.627 -9.078 1.00 0.37 H new ATOM 0 HZ PHE D 338 -14.017 -2.864 -6.715 1.00 0.35 H new ATOM 2457 N GLU D 339 -8.996 -0.014 -9.048 1.00 0.28 N ATOM 2458 CA GLU D 339 -8.273 -1.290 -9.322 1.00 0.28 C ATOM 2459 C GLU D 339 -7.015 -1.379 -8.453 1.00 0.24 C ATOM 2460 O GLU D 339 -6.616 -2.447 -8.033 1.00 0.24 O ATOM 2461 CB GLU D 339 -7.873 -1.339 -10.799 1.00 0.34 C ATOM 2462 CG GLU D 339 -9.103 -1.653 -11.651 1.00 0.38 C ATOM 2463 CD GLU D 339 -8.672 -2.406 -12.911 1.00 1.18 C ATOM 2464 OE1 GLU D 339 -7.873 -1.865 -13.656 1.00 1.87 O ATOM 2465 OE2 GLU D 339 -9.148 -3.512 -13.108 1.00 1.99 O ATOM 0 H GLU D 339 -9.227 0.539 -9.874 1.00 0.28 H new ATOM 0 HA GLU D 339 -8.929 -2.129 -9.088 1.00 0.28 H new ATOM 0 HB2 GLU D 339 -7.442 -0.385 -11.102 1.00 0.34 H new ATOM 0 HB3 GLU D 339 -7.107 -2.098 -10.954 1.00 0.34 H new ATOM 0 HG2 GLU D 339 -9.811 -2.254 -11.080 1.00 0.38 H new ATOM 0 HG3 GLU D 339 -9.615 -0.730 -11.923 1.00 0.38 H new ATOM 2472 N MET D 340 -6.379 -0.272 -8.189 1.00 0.23 N ATOM 2473 CA MET D 340 -5.142 -0.302 -7.357 1.00 0.22 C ATOM 2474 C MET D 340 -5.465 -0.787 -5.941 1.00 0.18 C ATOM 2475 O MET D 340 -4.832 -1.687 -5.425 1.00 0.19 O ATOM 2476 CB MET D 340 -4.543 1.105 -7.288 1.00 0.24 C ATOM 2477 CG MET D 340 -3.129 1.030 -6.710 1.00 0.27 C ATOM 2478 SD MET D 340 -2.460 2.703 -6.535 1.00 0.29 S ATOM 2479 CE MET D 340 -2.988 2.980 -4.826 1.00 0.31 C ATOM 0 H MET D 340 -6.662 0.653 -8.513 1.00 0.23 H new ATOM 0 HA MET D 340 -4.427 -0.988 -7.811 1.00 0.22 H new ATOM 0 HB2 MET D 340 -4.518 1.550 -8.283 1.00 0.24 H new ATOM 0 HB3 MET D 340 -5.167 1.748 -6.667 1.00 0.24 H new ATOM 0 HG2 MET D 340 -3.146 0.531 -5.741 1.00 0.27 H new ATOM 0 HG3 MET D 340 -2.489 0.437 -7.363 1.00 0.27 H new ATOM 0 HE1 MET D 340 -2.208 3.518 -4.287 1.00 0.31 H new ATOM 0 HE2 MET D 340 -3.906 3.568 -4.820 1.00 0.31 H new ATOM 0 HE3 MET D 340 -3.168 2.021 -4.341 1.00 0.31 H new ATOM 2489 N PHE D 341 -6.437 -0.195 -5.304 1.00 0.16 N ATOM 2490 CA PHE D 341 -6.787 -0.618 -3.917 1.00 0.14 C ATOM 2491 C PHE D 341 -7.247 -2.080 -3.914 1.00 0.15 C ATOM 2492 O PHE D 341 -6.815 -2.874 -3.102 1.00 0.16 O ATOM 2493 CB PHE D 341 -7.913 0.270 -3.386 1.00 0.14 C ATOM 2494 CG PHE D 341 -7.342 1.592 -2.932 1.00 0.14 C ATOM 2495 CD1 PHE D 341 -6.536 1.651 -1.787 1.00 0.17 C ATOM 2496 CD2 PHE D 341 -7.618 2.760 -3.656 1.00 0.15 C ATOM 2497 CE1 PHE D 341 -6.006 2.877 -1.367 1.00 0.18 C ATOM 2498 CE2 PHE D 341 -7.087 3.987 -3.234 1.00 0.16 C ATOM 2499 CZ PHE D 341 -6.281 4.045 -2.090 1.00 0.17 C ATOM 0 H PHE D 341 -7.004 0.563 -5.683 1.00 0.16 H new ATOM 0 HA PHE D 341 -5.908 -0.520 -3.280 1.00 0.14 H new ATOM 0 HB2 PHE D 341 -8.660 0.432 -4.163 1.00 0.14 H new ATOM 0 HB3 PHE D 341 -8.419 -0.224 -2.556 1.00 0.14 H new ATOM 0 HD1 PHE D 341 -6.324 0.751 -1.229 1.00 0.17 H new ATOM 0 HD2 PHE D 341 -8.239 2.715 -4.538 1.00 0.15 H new ATOM 0 HE1 PHE D 341 -5.385 2.922 -0.485 1.00 0.18 H new ATOM 0 HE2 PHE D 341 -7.299 4.888 -3.791 1.00 0.16 H new ATOM 0 HZ PHE D 341 -5.872 4.990 -1.765 1.00 0.17 H new ATOM 2509 N ARG D 342 -8.125 -2.437 -4.809 1.00 0.17 N ATOM 2510 CA ARG D 342 -8.622 -3.843 -4.856 1.00 0.20 C ATOM 2511 C ARG D 342 -7.444 -4.818 -4.795 1.00 0.19 C ATOM 2512 O ARG D 342 -7.496 -5.825 -4.118 1.00 0.19 O ATOM 2513 CB ARG D 342 -9.396 -4.062 -6.157 1.00 0.24 C ATOM 2514 CG ARG D 342 -10.025 -5.456 -6.152 1.00 0.32 C ATOM 2515 CD ARG D 342 -11.037 -5.563 -7.294 1.00 0.62 C ATOM 2516 NE ARG D 342 -11.116 -6.978 -7.758 1.00 1.13 N ATOM 2517 CZ ARG D 342 -12.109 -7.368 -8.510 1.00 1.73 C ATOM 2518 NH1 ARG D 342 -13.040 -6.520 -8.861 1.00 2.34 N ATOM 2519 NH2 ARG D 342 -12.174 -8.607 -8.911 1.00 2.41 N ATOM 0 H ARG D 342 -8.522 -1.815 -5.513 1.00 0.17 H new ATOM 0 HA ARG D 342 -9.276 -4.021 -4.002 1.00 0.20 H new ATOM 0 HB2 ARG D 342 -10.171 -3.303 -6.263 1.00 0.24 H new ATOM 0 HB3 ARG D 342 -8.728 -3.957 -7.012 1.00 0.24 H new ATOM 0 HG2 ARG D 342 -9.252 -6.216 -6.265 1.00 0.32 H new ATOM 0 HG3 ARG D 342 -10.517 -5.641 -5.197 1.00 0.32 H new ATOM 0 HD2 ARG D 342 -12.017 -5.224 -6.958 1.00 0.62 H new ATOM 0 HD3 ARG D 342 -10.741 -4.915 -8.119 1.00 0.62 H new ATOM 0 HE ARG D 342 -10.392 -7.643 -7.487 1.00 1.13 H new ATOM 0 HH11 ARG D 342 -12.992 -5.551 -8.547 1.00 2.34 H new ATOM 0 HH12 ARG D 342 -13.815 -6.828 -9.449 1.00 2.34 H new ATOM 0 HH21 ARG D 342 -11.449 -9.270 -8.637 1.00 2.41 H new ATOM 0 HH22 ARG D 342 -12.950 -8.913 -9.499 1.00 2.41 H new ATOM 2533 N GLU D 343 -6.384 -4.533 -5.501 1.00 0.20 N ATOM 2534 CA GLU D 343 -5.212 -5.453 -5.486 1.00 0.21 C ATOM 2535 C GLU D 343 -4.697 -5.610 -4.054 1.00 0.16 C ATOM 2536 O GLU D 343 -4.460 -6.706 -3.587 1.00 0.16 O ATOM 2537 CB GLU D 343 -4.101 -4.879 -6.366 1.00 0.26 C ATOM 2538 CG GLU D 343 -2.875 -5.793 -6.305 1.00 0.54 C ATOM 2539 CD GLU D 343 -2.263 -5.921 -7.701 1.00 1.48 C ATOM 2540 OE1 GLU D 343 -2.993 -6.259 -8.618 1.00 2.35 O ATOM 2541 OE2 GLU D 343 -1.074 -5.679 -7.829 1.00 2.11 O ATOM 0 H GLU D 343 -6.279 -3.704 -6.086 1.00 0.20 H new ATOM 0 HA GLU D 343 -5.515 -6.427 -5.870 1.00 0.21 H new ATOM 0 HB2 GLU D 343 -4.449 -4.788 -7.395 1.00 0.26 H new ATOM 0 HB3 GLU D 343 -3.837 -3.877 -6.029 1.00 0.26 H new ATOM 0 HG2 GLU D 343 -2.140 -5.387 -5.610 1.00 0.54 H new ATOM 0 HG3 GLU D 343 -3.160 -6.776 -5.930 1.00 0.54 H new ATOM 2548 N LEU D 344 -4.519 -4.523 -3.354 1.00 0.15 N ATOM 2549 CA LEU D 344 -4.014 -4.614 -1.954 1.00 0.14 C ATOM 2550 C LEU D 344 -5.017 -5.388 -1.095 1.00 0.14 C ATOM 2551 O LEU D 344 -4.653 -6.060 -0.152 1.00 0.15 O ATOM 2552 CB LEU D 344 -3.837 -3.207 -1.383 1.00 0.15 C ATOM 2553 CG LEU D 344 -2.665 -2.514 -2.080 1.00 0.15 C ATOM 2554 CD1 LEU D 344 -2.678 -1.024 -1.740 1.00 0.17 C ATOM 2555 CD2 LEU D 344 -1.350 -3.133 -1.602 1.00 0.19 C ATOM 0 H LEU D 344 -4.701 -3.577 -3.690 1.00 0.15 H new ATOM 0 HA LEU D 344 -3.056 -5.133 -1.949 1.00 0.14 H new ATOM 0 HB2 LEU D 344 -4.750 -2.629 -1.524 1.00 0.15 H new ATOM 0 HB3 LEU D 344 -3.655 -3.259 -0.310 1.00 0.15 H new ATOM 0 HG LEU D 344 -2.757 -2.642 -3.159 1.00 0.15 H new ATOM 0 HD11 LEU D 344 -1.843 -0.530 -2.237 1.00 0.17 H new ATOM 0 HD12 LEU D 344 -3.615 -0.582 -2.079 1.00 0.17 H new ATOM 0 HD13 LEU D 344 -2.586 -0.896 -0.661 1.00 0.17 H new ATOM 0 HD21 LEU D 344 -0.514 -2.640 -2.098 1.00 0.19 H new ATOM 0 HD22 LEU D 344 -1.258 -3.005 -0.523 1.00 0.19 H new ATOM 0 HD23 LEU D 344 -1.339 -4.196 -1.843 1.00 0.19 H new ATOM 2567 N ASN D 345 -6.278 -5.292 -1.411 1.00 0.17 N ATOM 2568 CA ASN D 345 -7.308 -6.016 -0.613 1.00 0.20 C ATOM 2569 C ASN D 345 -6.993 -7.514 -0.597 1.00 0.17 C ATOM 2570 O ASN D 345 -6.788 -8.105 0.445 1.00 0.17 O ATOM 2571 CB ASN D 345 -8.685 -5.793 -1.241 1.00 0.26 C ATOM 2572 CG ASN D 345 -9.763 -6.397 -0.340 1.00 0.30 C ATOM 2573 OD1 ASN D 345 -10.421 -7.346 -0.713 1.00 1.09 O ATOM 2574 ND2 ASN D 345 -9.973 -5.882 0.841 1.00 0.68 N ATOM 0 H ASN D 345 -6.641 -4.742 -2.189 1.00 0.17 H new ATOM 0 HA ASN D 345 -7.304 -5.637 0.409 1.00 0.20 H new ATOM 0 HB2 ASN D 345 -8.866 -4.727 -1.377 1.00 0.26 H new ATOM 0 HB3 ASN D 345 -8.724 -6.251 -2.229 1.00 0.26 H new ATOM 0 HD21 ASN D 345 -10.690 -6.277 1.450 1.00 0.68 H new ATOM 0 HD22 ASN D 345 -9.420 -5.084 1.155 1.00 0.68 H new ATOM 2581 N GLU D 346 -6.962 -8.136 -1.744 1.00 0.17 N ATOM 2582 CA GLU D 346 -6.671 -9.597 -1.796 1.00 0.17 C ATOM 2583 C GLU D 346 -5.263 -9.872 -1.260 1.00 0.14 C ATOM 2584 O GLU D 346 -4.970 -10.953 -0.795 1.00 0.15 O ATOM 2585 CB GLU D 346 -6.770 -10.083 -3.242 1.00 0.20 C ATOM 2586 CG GLU D 346 -6.438 -11.574 -3.304 1.00 0.24 C ATOM 2587 CD GLU D 346 -6.909 -12.146 -4.642 1.00 0.90 C ATOM 2588 OE1 GLU D 346 -8.103 -12.346 -4.790 1.00 1.54 O ATOM 2589 OE2 GLU D 346 -6.068 -12.375 -5.496 1.00 1.69 O ATOM 0 H GLU D 346 -7.126 -7.695 -2.649 1.00 0.17 H new ATOM 0 HA GLU D 346 -7.396 -10.128 -1.179 1.00 0.17 H new ATOM 0 HB2 GLU D 346 -7.774 -9.907 -3.628 1.00 0.20 H new ATOM 0 HB3 GLU D 346 -6.083 -9.520 -3.874 1.00 0.20 H new ATOM 0 HG2 GLU D 346 -5.364 -11.723 -3.190 1.00 0.24 H new ATOM 0 HG3 GLU D 346 -6.922 -12.100 -2.481 1.00 0.24 H new ATOM 2596 N ALA D 347 -4.387 -8.908 -1.332 1.00 0.13 N ATOM 2597 CA ALA D 347 -2.997 -9.126 -0.834 1.00 0.14 C ATOM 2598 C ALA D 347 -3.022 -9.477 0.660 1.00 0.16 C ATOM 2599 O ALA D 347 -2.566 -10.527 1.066 1.00 0.18 O ATOM 2600 CB ALA D 347 -2.173 -7.856 -1.046 1.00 0.16 C ATOM 0 H ALA D 347 -4.572 -7.980 -1.713 1.00 0.13 H new ATOM 0 HA ALA D 347 -2.547 -9.951 -1.386 1.00 0.14 H new ATOM 0 HB1 ALA D 347 -1.158 -8.016 -0.682 1.00 0.16 H new ATOM 0 HB2 ALA D 347 -2.144 -7.614 -2.108 1.00 0.16 H new ATOM 0 HB3 ALA D 347 -2.629 -7.031 -0.499 1.00 0.16 H new ATOM 2606 N LEU D 348 -3.541 -8.602 1.479 1.00 0.17 N ATOM 2607 CA LEU D 348 -3.582 -8.884 2.945 1.00 0.21 C ATOM 2608 C LEU D 348 -4.424 -10.134 3.215 1.00 0.21 C ATOM 2609 O LEU D 348 -4.014 -11.027 3.930 1.00 0.23 O ATOM 2610 CB LEU D 348 -4.206 -7.691 3.676 1.00 0.24 C ATOM 2611 CG LEU D 348 -3.186 -6.556 3.784 1.00 0.26 C ATOM 2612 CD1 LEU D 348 -1.888 -7.087 4.396 1.00 0.31 C ATOM 2613 CD2 LEU D 348 -2.899 -5.995 2.389 1.00 0.22 C ATOM 0 H LEU D 348 -3.938 -7.705 1.198 1.00 0.17 H new ATOM 0 HA LEU D 348 -2.566 -9.049 3.304 1.00 0.21 H new ATOM 0 HB2 LEU D 348 -5.091 -7.347 3.140 1.00 0.24 H new ATOM 0 HB3 LEU D 348 -4.533 -7.993 4.671 1.00 0.24 H new ATOM 0 HG LEU D 348 -3.589 -5.767 4.419 1.00 0.26 H new ATOM 0 HD11 LEU D 348 -1.163 -6.276 4.472 1.00 0.31 H new ATOM 0 HD12 LEU D 348 -2.091 -7.486 5.390 1.00 0.31 H new ATOM 0 HD13 LEU D 348 -1.484 -7.877 3.763 1.00 0.31 H new ATOM 0 HD21 LEU D 348 -2.172 -5.186 2.465 1.00 0.22 H new ATOM 0 HD22 LEU D 348 -2.498 -6.785 1.755 1.00 0.22 H new ATOM 0 HD23 LEU D 348 -3.822 -5.614 1.953 1.00 0.22 H new ATOM 2625 N GLU D 349 -5.601 -10.203 2.655 1.00 0.20 N ATOM 2626 CA GLU D 349 -6.470 -11.393 2.889 1.00 0.21 C ATOM 2627 C GLU D 349 -5.732 -12.664 2.465 1.00 0.19 C ATOM 2628 O GLU D 349 -5.976 -13.737 2.982 1.00 0.21 O ATOM 2629 CB GLU D 349 -7.754 -11.251 2.069 1.00 0.22 C ATOM 2630 CG GLU D 349 -8.448 -9.936 2.429 1.00 0.28 C ATOM 2631 CD GLU D 349 -9.419 -10.173 3.588 1.00 1.21 C ATOM 2632 OE1 GLU D 349 -8.957 -10.249 4.714 1.00 1.91 O ATOM 2633 OE2 GLU D 349 -10.607 -10.273 3.329 1.00 1.95 O ATOM 0 H GLU D 349 -5.999 -9.488 2.046 1.00 0.20 H new ATOM 0 HA GLU D 349 -6.717 -11.458 3.949 1.00 0.21 H new ATOM 0 HB2 GLU D 349 -7.522 -11.272 1.004 1.00 0.22 H new ATOM 0 HB3 GLU D 349 -8.419 -12.091 2.267 1.00 0.22 H new ATOM 0 HG2 GLU D 349 -7.708 -9.186 2.708 1.00 0.28 H new ATOM 0 HG3 GLU D 349 -8.985 -9.547 1.564 1.00 0.28 H new ATOM 2640 N LEU D 350 -4.831 -12.556 1.528 1.00 0.19 N ATOM 2641 CA LEU D 350 -4.079 -13.759 1.072 1.00 0.21 C ATOM 2642 C LEU D 350 -3.225 -14.288 2.226 1.00 0.22 C ATOM 2643 O LEU D 350 -3.157 -15.477 2.470 1.00 0.28 O ATOM 2644 CB LEU D 350 -3.173 -13.374 -0.101 1.00 0.24 C ATOM 2645 CG LEU D 350 -2.798 -14.625 -0.898 1.00 0.29 C ATOM 2646 CD1 LEU D 350 -1.881 -14.236 -2.059 1.00 0.43 C ATOM 2647 CD2 LEU D 350 -2.073 -15.616 0.016 1.00 0.38 C ATOM 0 H LEU D 350 -4.583 -11.686 1.058 1.00 0.19 H new ATOM 0 HA LEU D 350 -4.778 -14.532 0.753 1.00 0.21 H new ATOM 0 HB2 LEU D 350 -3.683 -12.659 -0.747 1.00 0.24 H new ATOM 0 HB3 LEU D 350 -2.273 -12.884 0.269 1.00 0.24 H new ATOM 0 HG LEU D 350 -3.703 -15.089 -1.290 1.00 0.29 H new ATOM 0 HD11 LEU D 350 -1.614 -15.128 -2.626 1.00 0.43 H new ATOM 0 HD12 LEU D 350 -2.398 -13.532 -2.711 1.00 0.43 H new ATOM 0 HD13 LEU D 350 -0.976 -13.771 -1.668 1.00 0.43 H new ATOM 0 HD21 LEU D 350 -1.806 -16.507 -0.552 1.00 0.38 H new ATOM 0 HD22 LEU D 350 -1.169 -15.153 0.410 1.00 0.38 H new ATOM 0 HD23 LEU D 350 -2.727 -15.895 0.842 1.00 0.38 H new ATOM 2659 N LYS D 351 -2.573 -13.413 2.937 1.00 0.22 N ATOM 2660 CA LYS D 351 -1.719 -13.858 4.074 1.00 0.24 C ATOM 2661 C LYS D 351 -2.568 -14.614 5.099 1.00 0.28 C ATOM 2662 O LYS D 351 -2.254 -15.723 5.482 1.00 0.33 O ATOM 2663 CB LYS D 351 -1.090 -12.632 4.739 1.00 0.25 C ATOM 2664 CG LYS D 351 -0.284 -13.072 5.961 1.00 0.28 C ATOM 2665 CD LYS D 351 0.297 -11.840 6.655 1.00 0.30 C ATOM 2666 CE LYS D 351 1.543 -12.239 7.445 1.00 0.35 C ATOM 2667 NZ LYS D 351 1.740 -11.288 8.576 1.00 1.40 N ATOM 0 H LYS D 351 -2.594 -12.405 2.780 1.00 0.22 H new ATOM 0 HA LYS D 351 -0.937 -14.519 3.702 1.00 0.24 H new ATOM 0 HB2 LYS D 351 -0.444 -12.113 4.031 1.00 0.25 H new ATOM 0 HB3 LYS D 351 -1.867 -11.928 5.037 1.00 0.25 H new ATOM 0 HG2 LYS D 351 -0.921 -13.625 6.651 1.00 0.28 H new ATOM 0 HG3 LYS D 351 0.518 -13.745 5.658 1.00 0.28 H new ATOM 0 HD2 LYS D 351 0.550 -11.079 5.917 1.00 0.30 H new ATOM 0 HD3 LYS D 351 -0.445 -11.402 7.323 1.00 0.30 H new ATOM 0 HE2 LYS D 351 1.436 -13.255 7.825 1.00 0.35 H new ATOM 0 HE3 LYS D 351 2.417 -12.232 6.794 1.00 0.35 H new ATOM 0 HZ1 LYS D 351 2.588 -11.559 9.114 1.00 1.40 H new ATOM 0 HZ2 LYS D 351 1.860 -10.325 8.203 1.00 1.40 H new ATOM 0 HZ3 LYS D 351 0.910 -11.316 9.202 1.00 1.40 H new ATOM 2681 N ASP D 352 -3.640 -14.022 5.551 1.00 0.29 N ATOM 2682 CA ASP D 352 -4.505 -14.704 6.555 1.00 0.36 C ATOM 2683 C ASP D 352 -4.976 -16.056 6.009 1.00 0.39 C ATOM 2684 O ASP D 352 -5.065 -17.030 6.732 1.00 0.47 O ATOM 2685 CB ASP D 352 -5.722 -13.827 6.856 1.00 0.40 C ATOM 2686 CG ASP D 352 -5.288 -12.611 7.675 1.00 0.44 C ATOM 2687 OD1 ASP D 352 -4.492 -12.785 8.583 1.00 1.17 O ATOM 2688 OD2 ASP D 352 -5.758 -11.524 7.380 1.00 1.08 O ATOM 0 H ASP D 352 -3.954 -13.094 5.268 1.00 0.29 H new ATOM 0 HA ASP D 352 -3.932 -14.867 7.468 1.00 0.36 H new ATOM 0 HB2 ASP D 352 -6.189 -13.504 5.926 1.00 0.40 H new ATOM 0 HB3 ASP D 352 -6.469 -14.400 7.405 1.00 0.40 H new ATOM 2693 N ALA D 353 -5.288 -16.124 4.743 1.00 0.37 N ATOM 2694 CA ALA D 353 -5.762 -17.414 4.162 1.00 0.44 C ATOM 2695 C ALA D 353 -4.626 -18.440 4.174 1.00 0.49 C ATOM 2696 O ALA D 353 -4.858 -19.633 4.178 1.00 0.59 O ATOM 2697 CB ALA D 353 -6.224 -17.186 2.722 1.00 0.44 C ATOM 0 H ALA D 353 -5.236 -15.345 4.087 1.00 0.37 H new ATOM 0 HA ALA D 353 -6.593 -17.791 4.759 1.00 0.44 H new ATOM 0 HB1 ALA D 353 -6.570 -18.128 2.297 1.00 0.44 H new ATOM 0 HB2 ALA D 353 -7.039 -16.462 2.712 1.00 0.44 H new ATOM 0 HB3 ALA D 353 -5.393 -16.805 2.129 1.00 0.44 H new ATOM 2703 N GLN D 354 -3.403 -17.990 4.177 1.00 0.45 N ATOM 2704 CA GLN D 354 -2.260 -18.946 4.186 1.00 0.53 C ATOM 2705 C GLN D 354 -1.968 -19.385 5.624 1.00 0.58 C ATOM 2706 O GLN D 354 -1.283 -20.360 5.859 1.00 0.73 O ATOM 2707 CB GLN D 354 -1.023 -18.264 3.601 1.00 0.50 C ATOM 2708 CG GLN D 354 -0.144 -19.304 2.905 1.00 1.12 C ATOM 2709 CD GLN D 354 0.868 -18.596 2.002 1.00 1.06 C ATOM 2710 OE1 GLN D 354 1.183 -17.353 2.245 1.00 1.44 O flip ATOM 2711 NE2 GLN D 354 1.378 -19.180 1.066 1.00 0.70 N flip ATOM 0 H GLN D 354 -3.145 -17.003 4.174 1.00 0.45 H new ATOM 0 HA GLN D 354 -2.514 -19.820 3.586 1.00 0.53 H new ATOM 0 HB2 GLN D 354 -1.322 -17.493 2.891 1.00 0.50 H new ATOM 0 HB3 GLN D 354 -0.460 -17.768 4.392 1.00 0.50 H new ATOM 0 HG2 GLN D 354 0.376 -19.910 3.646 1.00 1.12 H new ATOM 0 HG3 GLN D 354 -0.762 -19.982 2.315 1.00 1.12 H new ATOM 0 HE21 GLN D 354 1.132 -20.151 0.876 1.00 0.70 H new ATOM 0 HE22 GLN D 354 2.052 -18.699 0.471 1.00 0.70 H new