USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot -61:sc= 1.16 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.838 USER MOD Single : A 20 SER OG : rot 117:sc= 1.41 USER MOD Single : A 22 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0186 (180deg=-0.396) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.2! K(o=-3.2!,f=-2.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 38 THR OG1 : rot 166:sc= -8.45! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 174:sc= -1.6! (180deg=-1.67!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.22) USER MOD Single : A 57 TYR OH : rot -31:sc= -0.42 USER MOD Single : A 59 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.224) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 0.383 5.868 1.230 1.00 0.00 N ATOM 189 CA PRO A 12 -0.127 4.556 0.752 1.00 0.00 C ATOM 190 C PRO A 12 -0.469 3.659 1.949 1.00 0.00 C ATOM 191 O PRO A 12 -0.647 4.139 3.052 1.00 0.00 O ATOM 192 CB PRO A 12 1.040 3.993 -0.061 1.00 0.00 C ATOM 193 CG PRO A 12 2.256 4.666 0.485 1.00 0.00 C ATOM 194 CD PRO A 12 1.826 6.023 0.965 1.00 0.00 C ATOM 0 HA PRO A 12 -1.041 4.629 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.108 2.910 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.917 4.202 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.685 4.085 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.026 4.754 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.367 6.318 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.014 6.790 0.214 1.00 0.00 H new ATOM 202 N SER A 13 -0.565 2.362 1.746 1.00 0.00 N ATOM 203 CA SER A 13 -0.898 1.449 2.888 1.00 0.00 C ATOM 204 C SER A 13 -0.762 -0.024 2.487 1.00 0.00 C ATOM 205 O SER A 13 -1.667 -0.809 2.695 1.00 0.00 O ATOM 206 CB SER A 13 -2.353 1.769 3.245 1.00 0.00 C ATOM 207 OG SER A 13 -2.806 0.856 4.236 1.00 0.00 O ATOM 0 H SER A 13 -0.428 1.901 0.846 1.00 0.00 H new ATOM 0 HA SER A 13 -0.219 1.601 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.433 2.792 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.981 1.700 2.357 1.00 0.00 H new ATOM 0 HG SER A 13 -2.768 -0.057 3.882 1.00 0.00 H new ATOM 213 N ALA A 14 0.351 -0.408 1.892 1.00 0.00 N ATOM 214 CA ALA A 14 0.553 -1.832 1.446 1.00 0.00 C ATOM 215 C ALA A 14 -0.335 -2.119 0.240 1.00 0.00 C ATOM 216 O ALA A 14 0.151 -2.259 -0.867 1.00 0.00 O ATOM 217 CB ALA A 14 0.196 -2.750 2.629 1.00 0.00 C ATOM 0 H ALA A 14 1.136 0.212 1.695 1.00 0.00 H new ATOM 0 HA ALA A 14 1.587 -2.008 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.333 -3.791 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.845 -2.523 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.843 -2.587 2.915 1.00 0.00 H new ATOM 223 N PHE A 15 -1.628 -2.202 0.433 1.00 0.00 N ATOM 224 CA PHE A 15 -2.536 -2.474 -0.728 1.00 0.00 C ATOM 225 C PHE A 15 -2.379 -1.377 -1.788 1.00 0.00 C ATOM 226 O PHE A 15 -2.645 -1.593 -2.956 1.00 0.00 O ATOM 227 CB PHE A 15 -3.957 -2.466 -0.154 1.00 0.00 C ATOM 228 CG PHE A 15 -4.947 -2.775 -1.255 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.818 -3.952 -2.003 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.988 -1.880 -1.535 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.728 -4.234 -3.030 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.898 -2.163 -2.561 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.767 -3.340 -3.309 1.00 0.00 C ATOM 0 H PHE A 15 -2.092 -2.095 1.335 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.305 -3.424 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.042 -3.203 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.178 -1.493 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.016 -4.643 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.089 -0.972 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.627 -5.142 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.701 -1.474 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.468 -3.557 -4.101 1.00 0.00 H new ATOM 243 N PHE A 16 -1.947 -0.204 -1.389 1.00 0.00 N ATOM 244 CA PHE A 16 -1.774 0.902 -2.375 1.00 0.00 C ATOM 245 C PHE A 16 -0.536 0.651 -3.231 1.00 0.00 C ATOM 246 O PHE A 16 -0.531 0.936 -4.412 1.00 0.00 O ATOM 247 CB PHE A 16 -1.612 2.175 -1.543 1.00 0.00 C ATOM 248 CG PHE A 16 -1.829 3.383 -2.423 1.00 0.00 C ATOM 249 CD1 PHE A 16 -0.749 3.952 -3.108 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.109 3.933 -2.553 1.00 0.00 C ATOM 251 CE1 PHE A 16 -0.950 5.071 -3.925 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.310 5.053 -3.369 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.231 5.622 -4.055 1.00 0.00 C ATOM 0 H PHE A 16 -1.708 0.032 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.621 0.980 -3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.327 2.178 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.617 2.209 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.239 3.528 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.942 3.494 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.117 5.509 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.298 5.478 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.386 6.486 -4.684 1.00 0.00 H new ATOM 263 N LEU A 17 0.503 0.082 -2.661 1.00 0.00 N ATOM 264 CA LEU A 17 1.722 -0.222 -3.475 1.00 0.00 C ATOM 265 C LEU A 17 1.302 -1.220 -4.561 1.00 0.00 C ATOM 266 O LEU A 17 1.116 -0.851 -5.704 1.00 0.00 O ATOM 267 CB LEU A 17 2.730 -0.840 -2.492 1.00 0.00 C ATOM 268 CG LEU A 17 3.497 0.257 -1.736 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.297 1.108 -2.721 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.519 1.155 -0.972 1.00 0.00 C ATOM 0 H LEU A 17 0.558 -0.182 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 17 2.165 0.647 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.207 -1.480 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.432 -1.473 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 17 4.177 -0.219 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.837 1.883 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.007 0.476 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.618 1.573 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.074 1.928 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.829 1.622 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.957 0.555 -0.256 1.00 0.00 H new ATOM 282 N PHE A 18 1.152 -2.480 -4.188 1.00 0.00 N ATOM 283 CA PHE A 18 0.722 -3.564 -5.149 1.00 0.00 C ATOM 284 C PHE A 18 -0.257 -3.016 -6.211 1.00 0.00 C ATOM 285 O PHE A 18 -0.029 -3.151 -7.397 1.00 0.00 O ATOM 286 CB PHE A 18 0.038 -4.605 -4.253 1.00 0.00 C ATOM 287 CG PHE A 18 -0.554 -5.726 -5.081 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.259 -6.772 -5.534 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.921 -5.723 -5.382 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.297 -7.814 -6.289 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.476 -6.762 -6.137 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.664 -7.808 -6.591 1.00 0.00 C ATOM 0 H PHE A 18 1.313 -2.809 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 18 1.560 -3.979 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.760 -5.012 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.747 -4.127 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.314 -6.776 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.548 -4.917 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.329 -8.622 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.531 -6.757 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.092 -8.610 -7.174 1.00 0.00 H new ATOM 302 N CYS A 19 -1.342 -2.404 -5.793 1.00 0.00 N ATOM 303 CA CYS A 19 -2.317 -1.859 -6.786 1.00 0.00 C ATOM 304 C CYS A 19 -1.669 -0.744 -7.615 1.00 0.00 C ATOM 305 O CYS A 19 -1.820 -0.693 -8.819 1.00 0.00 O ATOM 306 CB CYS A 19 -3.480 -1.309 -5.953 1.00 0.00 C ATOM 307 SG CYS A 19 -4.784 -0.692 -7.049 1.00 0.00 S ATOM 0 H CYS A 19 -1.591 -2.261 -4.814 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.651 -2.621 -7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.877 -2.091 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.127 -0.507 -5.305 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.767 -0.229 -6.336 1.00 0.00 H new ATOM 313 N SER A 20 -0.957 0.153 -6.977 1.00 0.00 N ATOM 314 CA SER A 20 -0.308 1.275 -7.729 1.00 0.00 C ATOM 315 C SER A 20 0.621 0.740 -8.824 1.00 0.00 C ATOM 316 O SER A 20 0.779 1.356 -9.861 1.00 0.00 O ATOM 317 CB SER A 20 0.497 2.051 -6.685 1.00 0.00 C ATOM 318 OG SER A 20 -0.379 2.892 -5.945 1.00 0.00 O ATOM 0 H SER A 20 -0.797 0.158 -5.970 1.00 0.00 H new ATOM 0 HA SER A 20 -1.049 1.901 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.008 1.359 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.267 2.648 -7.173 1.00 0.00 H new ATOM 0 HG SER A 20 -0.385 2.613 -5.006 1.00 0.00 H new ATOM 324 N GLU A 21 1.244 -0.391 -8.599 1.00 0.00 N ATOM 325 CA GLU A 21 2.172 -0.947 -9.631 1.00 0.00 C ATOM 326 C GLU A 21 1.426 -1.870 -10.603 1.00 0.00 C ATOM 327 O GLU A 21 1.851 -2.056 -11.729 1.00 0.00 O ATOM 328 CB GLU A 21 3.243 -1.719 -8.850 1.00 0.00 C ATOM 329 CG GLU A 21 2.601 -2.850 -8.039 1.00 0.00 C ATOM 330 CD GLU A 21 3.667 -3.882 -7.665 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.592 -4.063 -8.441 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.538 -4.479 -6.609 1.00 0.00 O ATOM 0 H GLU A 21 1.151 -0.950 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 21 2.612 -0.158 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.980 -2.130 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.775 -1.041 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.138 -2.448 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.810 -3.324 -8.620 1.00 0.00 H new ATOM 339 N HIS A 22 0.326 -2.455 -10.188 1.00 0.00 N ATOM 340 CA HIS A 22 -0.430 -3.367 -11.101 1.00 0.00 C ATOM 341 C HIS A 22 -1.406 -2.568 -11.970 1.00 0.00 C ATOM 342 O HIS A 22 -1.627 -2.892 -13.117 1.00 0.00 O ATOM 343 CB HIS A 22 -1.193 -4.313 -10.173 1.00 0.00 C ATOM 344 CG HIS A 22 -0.352 -5.528 -9.894 1.00 0.00 C ATOM 345 ND1 HIS A 22 -0.248 -6.577 -10.793 1.00 0.00 N ATOM 346 CD2 HIS A 22 0.431 -5.875 -8.820 1.00 0.00 C ATOM 347 CE1 HIS A 22 0.570 -7.498 -10.249 1.00 0.00 C ATOM 348 NE2 HIS A 22 1.012 -7.119 -9.047 1.00 0.00 N ATOM 0 H HIS A 22 -0.078 -2.340 -9.259 1.00 0.00 H new ATOM 0 HA HIS A 22 0.231 -3.904 -11.782 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.438 -3.805 -9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.136 -4.608 -10.633 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.574 -5.274 -7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.836 -8.429 -10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.640 -7.631 -8.428 1.00 0.00 H new ATOM 356 N ARG A 23 -2.012 -1.541 -11.414 1.00 0.00 N ATOM 357 CA ARG A 23 -3.004 -0.709 -12.181 1.00 0.00 C ATOM 358 C ARG A 23 -2.552 -0.421 -13.632 1.00 0.00 C ATOM 359 O ARG A 23 -3.320 -0.642 -14.548 1.00 0.00 O ATOM 360 CB ARG A 23 -3.141 0.590 -11.384 1.00 0.00 C ATOM 361 CG ARG A 23 -4.509 1.215 -11.662 1.00 0.00 C ATOM 362 CD ARG A 23 -4.441 2.723 -11.414 1.00 0.00 C ATOM 363 NE ARG A 23 -4.315 2.864 -9.937 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.259 3.453 -9.255 1.00 0.00 C ATOM 365 NH1 ARG A 23 -5.493 4.726 -9.427 1.00 0.00 N ATOM 366 NH2 ARG A 23 -5.969 2.770 -8.400 1.00 0.00 N ATOM 0 H ARG A 23 -1.861 -1.240 -10.451 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.951 -1.239 -12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.031 0.389 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.348 1.285 -11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.808 1.018 -12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.264 0.764 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.590 3.170 -11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.335 3.225 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.491 2.500 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.938 5.261 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.231 5.186 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.786 1.776 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.707 3.230 -7.867 1.00 0.00 H new ATOM 380 N PRO A 24 -1.331 0.046 -13.819 1.00 0.00 N ATOM 381 CA PRO A 24 -0.852 0.322 -15.201 1.00 0.00 C ATOM 382 C PRO A 24 -0.670 -0.990 -15.975 1.00 0.00 C ATOM 383 O PRO A 24 -0.702 -1.008 -17.192 1.00 0.00 O ATOM 384 CB PRO A 24 0.483 1.030 -14.992 1.00 0.00 C ATOM 385 CG PRO A 24 0.945 0.582 -13.645 1.00 0.00 C ATOM 386 CD PRO A 24 -0.293 0.362 -12.816 1.00 0.00 C ATOM 0 HA PRO A 24 -1.551 0.922 -15.784 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.200 0.759 -15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.367 2.113 -15.030 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.528 -0.336 -13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.589 1.332 -13.187 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.160 -0.454 -12.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.551 1.249 -12.238 1.00 0.00 H new ATOM 394 N LYS A 25 -0.493 -2.087 -15.278 1.00 0.00 N ATOM 395 CA LYS A 25 -0.324 -3.401 -15.970 1.00 0.00 C ATOM 396 C LYS A 25 -1.688 -3.920 -16.434 1.00 0.00 C ATOM 397 O LYS A 25 -1.810 -4.491 -17.502 1.00 0.00 O ATOM 398 CB LYS A 25 0.278 -4.335 -14.919 1.00 0.00 C ATOM 399 CG LYS A 25 0.628 -5.676 -15.569 1.00 0.00 C ATOM 400 CD LYS A 25 1.273 -6.596 -14.531 1.00 0.00 C ATOM 401 CE LYS A 25 2.737 -6.192 -14.319 1.00 0.00 C ATOM 402 NZ LYS A 25 2.765 -5.519 -12.990 1.00 0.00 N ATOM 0 H LYS A 25 -0.458 -2.128 -14.259 1.00 0.00 H new ATOM 0 HA LYS A 25 0.312 -3.328 -16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.171 -3.885 -14.486 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.430 -4.487 -14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.271 -6.141 -15.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.310 -5.520 -16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.729 -6.534 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.217 -7.632 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.392 -7.063 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.079 -5.522 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.519 -4.803 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.849 -5.060 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.947 -6.224 -12.248 1.00 0.00 H new ATOM 416 N ILE A 26 -2.715 -3.712 -15.645 1.00 0.00 N ATOM 417 CA ILE A 26 -4.078 -4.181 -16.047 1.00 0.00 C ATOM 418 C ILE A 26 -4.611 -3.337 -17.212 1.00 0.00 C ATOM 419 O ILE A 26 -5.604 -3.679 -17.818 1.00 0.00 O ATOM 420 CB ILE A 26 -4.966 -3.999 -14.806 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.395 -4.792 -13.621 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.384 -4.495 -15.110 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.280 -6.280 -13.976 1.00 0.00 C ATOM 0 H ILE A 26 -2.668 -3.239 -14.743 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.063 -5.218 -16.382 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.993 -2.941 -14.547 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.414 -4.399 -13.352 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.038 -4.669 -12.750 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.012 -4.365 -14.228 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.800 -3.923 -15.939 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.350 -5.551 -15.379 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.874 -6.827 -13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.267 -6.673 -14.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.618 -6.399 -14.834 1.00 0.00 H new ATOM 435 N LYS A 27 -3.954 -2.249 -17.541 1.00 0.00 N ATOM 436 CA LYS A 27 -4.425 -1.400 -18.676 1.00 0.00 C ATOM 437 C LYS A 27 -3.957 -1.992 -20.013 1.00 0.00 C ATOM 438 O LYS A 27 -4.529 -1.721 -21.051 1.00 0.00 O ATOM 439 CB LYS A 27 -3.792 -0.030 -18.433 1.00 0.00 C ATOM 440 CG LYS A 27 -4.680 0.773 -17.482 1.00 0.00 C ATOM 441 CD LYS A 27 -4.122 2.190 -17.332 1.00 0.00 C ATOM 442 CE LYS A 27 -5.229 3.124 -16.839 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.515 4.316 -16.303 1.00 0.00 N ATOM 0 H LYS A 27 -3.113 -1.915 -17.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.512 -1.339 -18.726 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.795 -0.147 -18.007 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.675 0.502 -19.377 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.700 0.812 -17.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.724 0.284 -16.509 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.290 2.192 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.733 2.542 -18.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.904 3.399 -17.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.834 2.647 -16.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.208 5.004 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.885 4.024 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.952 4.753 -17.061 1.00 0.00 H new ATOM 457 N SER A 28 -2.927 -2.806 -19.992 1.00 0.00 N ATOM 458 CA SER A 28 -2.430 -3.423 -21.260 1.00 0.00 C ATOM 459 C SER A 28 -3.383 -4.534 -21.709 1.00 0.00 C ATOM 460 O SER A 28 -3.783 -4.593 -22.857 1.00 0.00 O ATOM 461 CB SER A 28 -1.056 -4.000 -20.915 1.00 0.00 C ATOM 462 OG SER A 28 -0.061 -3.009 -21.137 1.00 0.00 O ATOM 0 H SER A 28 -2.411 -3.068 -19.152 1.00 0.00 H new ATOM 0 HA SER A 28 -2.371 -2.702 -22.075 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.036 -4.325 -19.875 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.854 -4.879 -21.527 1.00 0.00 H new ATOM 0 HG SER A 28 0.821 -3.375 -20.915 1.00 0.00 H new ATOM 468 N GLU A 29 -3.753 -5.411 -20.809 1.00 0.00 N ATOM 469 CA GLU A 29 -4.687 -6.520 -21.172 1.00 0.00 C ATOM 470 C GLU A 29 -6.152 -6.054 -21.093 1.00 0.00 C ATOM 471 O GLU A 29 -7.064 -6.830 -21.308 1.00 0.00 O ATOM 472 CB GLU A 29 -4.418 -7.614 -20.138 1.00 0.00 C ATOM 473 CG GLU A 29 -3.087 -8.297 -20.453 1.00 0.00 C ATOM 474 CD GLU A 29 -3.269 -9.248 -21.637 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.260 -8.773 -22.760 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.415 -10.437 -21.401 1.00 0.00 O ATOM 0 H GLU A 29 -3.447 -5.406 -19.836 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.528 -6.867 -22.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.390 -7.184 -19.137 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.226 -8.346 -20.148 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.329 -7.549 -20.687 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.734 -8.848 -19.581 1.00 0.00 H new ATOM 483 N HIS A 30 -6.383 -4.794 -20.809 1.00 0.00 N ATOM 484 CA HIS A 30 -7.781 -4.273 -20.741 1.00 0.00 C ATOM 485 C HIS A 30 -7.770 -2.786 -21.110 1.00 0.00 C ATOM 486 O HIS A 30 -7.726 -1.938 -20.241 1.00 0.00 O ATOM 487 CB HIS A 30 -8.250 -4.452 -19.293 1.00 0.00 C ATOM 488 CG HIS A 30 -8.181 -5.901 -18.895 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.275 -6.747 -18.984 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.160 -6.661 -18.388 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.889 -7.957 -18.537 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.607 -7.959 -18.160 1.00 0.00 N ATOM 0 H HIS A 30 -5.657 -4.102 -20.621 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.445 -4.799 -21.427 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.628 -3.855 -18.626 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.272 -4.087 -19.187 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.159 -6.306 -18.194 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.536 -8.820 -18.489 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.072 -8.743 -17.786 1.00 0.00 H new ATOM 500 N PRO A 31 -7.801 -2.507 -22.393 1.00 0.00 N ATOM 501 CA PRO A 31 -7.786 -1.099 -22.857 1.00 0.00 C ATOM 502 C PRO A 31 -9.065 -0.390 -22.414 1.00 0.00 C ATOM 503 O PRO A 31 -10.003 -0.241 -23.174 1.00 0.00 O ATOM 504 CB PRO A 31 -7.705 -1.221 -24.378 1.00 0.00 C ATOM 505 CG PRO A 31 -8.261 -2.574 -24.677 1.00 0.00 C ATOM 506 CD PRO A 31 -7.863 -3.450 -23.520 1.00 0.00 C ATOM 0 HA PRO A 31 -6.962 -0.512 -22.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.282 -0.438 -24.870 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.677 -1.128 -24.729 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.345 -2.536 -24.783 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.863 -2.961 -25.615 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.592 -4.241 -23.344 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.902 -3.935 -23.693 1.00 0.00 H new ATOM 514 N GLY A 32 -9.103 0.035 -21.179 1.00 0.00 N ATOM 515 CA GLY A 32 -10.311 0.726 -20.653 1.00 0.00 C ATOM 516 C GLY A 32 -10.872 -0.078 -19.479 1.00 0.00 C ATOM 517 O GLY A 32 -12.012 -0.499 -19.495 1.00 0.00 O ATOM 0 H GLY A 32 -8.341 -0.069 -20.509 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.057 1.736 -20.331 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.062 0.821 -21.437 1.00 0.00 H new ATOM 521 N LEU A 33 -10.094 -0.258 -18.440 1.00 0.00 N ATOM 522 CA LEU A 33 -10.579 -0.987 -17.232 1.00 0.00 C ATOM 523 C LEU A 33 -10.799 0.046 -16.125 1.00 0.00 C ATOM 524 O LEU A 33 -10.125 1.060 -16.098 1.00 0.00 O ATOM 525 CB LEU A 33 -9.432 -1.951 -16.887 1.00 0.00 C ATOM 526 CG LEU A 33 -9.962 -3.270 -16.296 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.598 -3.006 -14.934 1.00 0.00 C ATOM 528 CD2 LEU A 33 -10.998 -3.911 -17.232 1.00 0.00 C ATOM 0 H LEU A 33 -9.132 0.074 -18.379 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.515 -1.529 -17.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.850 -2.161 -17.784 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.758 -1.476 -16.174 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.124 -3.958 -16.183 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.972 -3.942 -14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.853 -2.583 -14.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.424 -2.304 -15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.358 -4.842 -16.793 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.835 -3.227 -17.371 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.536 -4.120 -18.197 1.00 0.00 H new ATOM 540 N SER A 34 -11.715 -0.175 -15.215 1.00 0.00 N ATOM 541 CA SER A 34 -11.938 0.827 -14.130 1.00 0.00 C ATOM 542 C SER A 34 -11.349 0.313 -12.814 1.00 0.00 C ATOM 543 O SER A 34 -10.563 -0.617 -12.800 1.00 0.00 O ATOM 544 CB SER A 34 -13.458 0.954 -14.028 1.00 0.00 C ATOM 545 OG SER A 34 -14.028 -0.341 -13.887 1.00 0.00 O ATOM 0 H SER A 34 -12.314 -1.000 -15.177 1.00 0.00 H new ATOM 0 HA SER A 34 -11.461 1.785 -14.337 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.726 1.577 -13.175 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.854 1.444 -14.917 1.00 0.00 H new ATOM 0 HG SER A 34 -15.003 -0.264 -13.820 1.00 0.00 H new ATOM 551 N ILE A 35 -11.728 0.904 -11.708 1.00 0.00 N ATOM 552 CA ILE A 35 -11.199 0.446 -10.388 1.00 0.00 C ATOM 553 C ILE A 35 -12.120 -0.629 -9.785 1.00 0.00 C ATOM 554 O ILE A 35 -12.047 -0.925 -8.607 1.00 0.00 O ATOM 555 CB ILE A 35 -11.185 1.702 -9.504 1.00 0.00 C ATOM 556 CG1 ILE A 35 -10.321 2.796 -10.156 1.00 0.00 C ATOM 557 CG2 ILE A 35 -10.619 1.357 -8.123 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.880 2.303 -10.340 1.00 0.00 C ATOM 0 H ILE A 35 -12.382 1.685 -11.663 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.209 -0.001 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.205 2.070 -9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.743 3.074 -11.122 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.329 3.692 -9.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.611 2.251 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.241 0.594 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.602 0.980 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.283 3.089 -10.802 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.456 2.049 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.876 1.421 -10.980 1.00 0.00 H new ATOM 570 N GLY A 36 -12.984 -1.218 -10.582 1.00 0.00 N ATOM 571 CA GLY A 36 -13.901 -2.269 -10.055 1.00 0.00 C ATOM 572 C GLY A 36 -13.314 -3.649 -10.349 1.00 0.00 C ATOM 573 O GLY A 36 -12.936 -4.376 -9.450 1.00 0.00 O ATOM 0 H GLY A 36 -13.090 -1.012 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.039 -2.142 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.884 -2.174 -10.516 1.00 0.00 H new ATOM 577 N ASP A 37 -13.236 -4.012 -11.604 1.00 0.00 N ATOM 578 CA ASP A 37 -12.672 -5.347 -11.967 1.00 0.00 C ATOM 579 C ASP A 37 -11.199 -5.422 -11.557 1.00 0.00 C ATOM 580 O ASP A 37 -10.764 -6.382 -10.950 1.00 0.00 O ATOM 581 CB ASP A 37 -12.808 -5.444 -13.489 1.00 0.00 C ATOM 582 CG ASP A 37 -14.273 -5.686 -13.856 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.671 -6.839 -13.894 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.972 -4.715 -14.093 1.00 0.00 O ATOM 0 H ASP A 37 -13.539 -3.441 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.190 -6.163 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.452 -4.526 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.188 -6.256 -13.869 1.00 0.00 H new ATOM 589 N THR A 38 -10.431 -4.416 -11.892 1.00 0.00 N ATOM 590 CA THR A 38 -8.977 -4.422 -11.531 1.00 0.00 C ATOM 591 C THR A 38 -8.817 -4.489 -10.003 1.00 0.00 C ATOM 592 O THR A 38 -7.927 -5.146 -9.503 1.00 0.00 O ATOM 593 CB THR A 38 -8.417 -3.109 -12.126 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.284 -3.263 -13.529 1.00 0.00 O ATOM 595 CG2 THR A 38 -7.040 -2.773 -11.535 1.00 0.00 C ATOM 0 H THR A 38 -10.746 -3.590 -12.400 1.00 0.00 H new ATOM 0 HA THR A 38 -8.439 -5.285 -11.923 1.00 0.00 H new ATOM 0 HB THR A 38 -9.106 -2.299 -11.885 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.149 -2.385 -13.943 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.673 -1.845 -11.973 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.127 -2.655 -10.455 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.342 -3.580 -11.757 1.00 0.00 H new ATOM 603 N ALA A 39 -9.674 -3.828 -9.265 1.00 0.00 N ATOM 604 CA ALA A 39 -9.569 -3.865 -7.770 1.00 0.00 C ATOM 605 C ALA A 39 -9.964 -5.248 -7.249 1.00 0.00 C ATOM 606 O ALA A 39 -9.409 -5.738 -6.282 1.00 0.00 O ATOM 607 CB ALA A 39 -10.553 -2.804 -7.272 1.00 0.00 C ATOM 0 H ALA A 39 -10.442 -3.265 -9.631 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.554 -3.671 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.533 -2.772 -6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.269 -1.829 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.559 -3.054 -7.609 1.00 0.00 H new ATOM 613 N LYS A 40 -10.913 -5.883 -7.888 1.00 0.00 N ATOM 614 CA LYS A 40 -11.345 -7.241 -7.439 1.00 0.00 C ATOM 615 C LYS A 40 -10.269 -8.269 -7.796 1.00 0.00 C ATOM 616 O LYS A 40 -10.060 -9.238 -7.091 1.00 0.00 O ATOM 617 CB LYS A 40 -12.637 -7.527 -8.207 1.00 0.00 C ATOM 618 CG LYS A 40 -13.797 -6.771 -7.556 1.00 0.00 C ATOM 619 CD LYS A 40 -15.082 -7.025 -8.346 1.00 0.00 C ATOM 620 CE LYS A 40 -16.232 -6.234 -7.719 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.468 -6.821 -8.310 1.00 0.00 N ATOM 0 H LYS A 40 -11.408 -5.519 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.499 -7.293 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.529 -7.222 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.842 -8.598 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.923 -7.096 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.579 -5.703 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.947 -6.728 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.317 -8.089 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.230 -6.328 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.151 -5.171 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.302 -6.331 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.444 -6.711 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.521 -7.832 -8.071 1.00 0.00 H new ATOM 635 N LYS A 41 -9.586 -8.056 -8.891 1.00 0.00 N ATOM 636 CA LYS A 41 -8.514 -9.007 -9.313 1.00 0.00 C ATOM 637 C LYS A 41 -7.200 -8.695 -8.586 1.00 0.00 C ATOM 638 O LYS A 41 -6.334 -9.542 -8.471 1.00 0.00 O ATOM 639 CB LYS A 41 -8.359 -8.782 -10.818 1.00 0.00 C ATOM 640 CG LYS A 41 -7.670 -9.996 -11.445 1.00 0.00 C ATOM 641 CD LYS A 41 -7.055 -9.596 -12.788 1.00 0.00 C ATOM 642 CE LYS A 41 -8.134 -9.619 -13.873 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.596 -8.765 -14.968 1.00 0.00 N ATOM 0 H LYS A 41 -9.725 -7.260 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.766 -10.040 -9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.336 -8.627 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.774 -7.881 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.896 -10.374 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.389 -10.802 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.617 -8.600 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.248 -10.281 -13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.323 -10.635 -14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.080 -9.230 -13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.281 -8.731 -15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.433 -7.803 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.699 -9.164 -15.310 1.00 0.00 H new ATOM 657 N LEU A 42 -7.043 -7.487 -8.100 1.00 0.00 N ATOM 658 CA LEU A 42 -5.784 -7.119 -7.385 1.00 0.00 C ATOM 659 C LEU A 42 -5.846 -7.570 -5.926 1.00 0.00 C ATOM 660 O LEU A 42 -5.055 -8.379 -5.486 1.00 0.00 O ATOM 661 CB LEU A 42 -5.713 -5.595 -7.459 1.00 0.00 C ATOM 662 CG LEU A 42 -4.732 -5.169 -8.550 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.237 -5.620 -9.922 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.608 -3.650 -8.531 1.00 0.00 C ATOM 0 H LEU A 42 -7.734 -6.740 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.911 -7.595 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.702 -5.187 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.398 -5.190 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.762 -5.630 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.529 -5.310 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.335 -6.706 -9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.208 -5.166 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.910 -3.332 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.585 -3.203 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.241 -3.327 -7.557 1.00 0.00 H new ATOM 676 N GLY A 43 -6.782 -7.043 -5.170 1.00 0.00 N ATOM 677 CA GLY A 43 -6.903 -7.427 -3.725 1.00 0.00 C ATOM 678 C GLY A 43 -6.948 -8.952 -3.596 1.00 0.00 C ATOM 679 O GLY A 43 -6.487 -9.516 -2.620 1.00 0.00 O ATOM 0 H GLY A 43 -7.469 -6.362 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.059 -7.030 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.805 -6.990 -3.297 1.00 0.00 H new ATOM 683 N GLU A 44 -7.474 -9.621 -4.591 1.00 0.00 N ATOM 684 CA GLU A 44 -7.522 -11.110 -4.549 1.00 0.00 C ATOM 685 C GLU A 44 -6.103 -11.646 -4.728 1.00 0.00 C ATOM 686 O GLU A 44 -5.716 -12.629 -4.124 1.00 0.00 O ATOM 687 CB GLU A 44 -8.413 -11.525 -5.722 1.00 0.00 C ATOM 688 CG GLU A 44 -8.759 -13.010 -5.600 1.00 0.00 C ATOM 689 CD GLU A 44 -9.910 -13.187 -4.609 1.00 0.00 C ATOM 690 OE1 GLU A 44 -11.009 -12.761 -4.925 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.673 -13.747 -3.551 1.00 0.00 O ATOM 0 H GLU A 44 -7.872 -9.198 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.913 -11.499 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.325 -10.928 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.901 -11.336 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.040 -13.410 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.887 -13.571 -5.264 1.00 0.00 H new ATOM 698 N MET A 45 -5.322 -10.989 -5.550 1.00 0.00 N ATOM 699 CA MET A 45 -3.916 -11.430 -5.773 1.00 0.00 C ATOM 700 C MET A 45 -3.031 -10.920 -4.634 1.00 0.00 C ATOM 701 O MET A 45 -2.199 -11.639 -4.120 1.00 0.00 O ATOM 702 CB MET A 45 -3.501 -10.797 -7.102 1.00 0.00 C ATOM 703 CG MET A 45 -3.943 -11.698 -8.258 1.00 0.00 C ATOM 704 SD MET A 45 -2.947 -11.330 -9.725 1.00 0.00 S ATOM 705 CE MET A 45 -4.054 -10.093 -10.445 1.00 0.00 C ATOM 0 H MET A 45 -5.602 -10.162 -6.077 1.00 0.00 H new ATOM 0 HA MET A 45 -3.819 -12.515 -5.799 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.952 -9.810 -7.203 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.420 -10.658 -7.129 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.828 -12.746 -7.981 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.000 -11.539 -8.473 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.580 -9.645 -11.319 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.988 -10.570 -10.743 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.262 -9.317 -9.708 1.00 0.00 H new ATOM 715 N TRP A 46 -3.227 -9.687 -4.217 1.00 0.00 N ATOM 716 CA TRP A 46 -2.414 -9.114 -3.086 1.00 0.00 C ATOM 717 C TRP A 46 -2.443 -10.066 -1.883 1.00 0.00 C ATOM 718 O TRP A 46 -1.418 -10.393 -1.315 1.00 0.00 O ATOM 719 CB TRP A 46 -3.091 -7.774 -2.757 1.00 0.00 C ATOM 720 CG TRP A 46 -2.445 -7.141 -1.562 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.089 -6.761 -0.435 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.046 -6.812 -1.365 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.168 -6.213 0.441 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.893 -6.223 -0.089 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.095 -6.967 -2.164 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.352 -5.799 0.375 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.350 -6.543 -1.704 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.478 -5.960 -0.438 1.00 0.00 C ATOM 0 H TRP A 46 -3.918 -9.049 -4.612 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.364 -8.978 -3.346 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -3.021 -7.104 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.152 -7.933 -2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.148 -6.868 -0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.402 -5.847 1.364 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.007 -7.417 -3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.445 -5.351 1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.222 -6.667 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.447 -5.634 -0.089 1.00 0.00 H new ATOM 739 N SER A 47 -3.611 -10.523 -1.506 1.00 0.00 N ATOM 740 CA SER A 47 -3.714 -11.472 -0.355 1.00 0.00 C ATOM 741 C SER A 47 -3.037 -12.809 -0.697 1.00 0.00 C ATOM 742 O SER A 47 -2.850 -13.650 0.163 1.00 0.00 O ATOM 743 CB SER A 47 -5.214 -11.676 -0.134 1.00 0.00 C ATOM 744 OG SER A 47 -5.440 -12.074 1.212 1.00 0.00 O ATOM 0 H SER A 47 -4.498 -10.280 -1.946 1.00 0.00 H new ATOM 0 HA SER A 47 -3.219 -11.085 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.754 -10.754 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.594 -12.434 -0.818 1.00 0.00 H new ATOM 0 HG SER A 47 -6.400 -12.204 1.358 1.00 0.00 H new ATOM 750 N GLU A 48 -2.656 -13.009 -1.938 1.00 0.00 N ATOM 751 CA GLU A 48 -1.983 -14.274 -2.334 1.00 0.00 C ATOM 752 C GLU A 48 -0.492 -14.032 -2.578 1.00 0.00 C ATOM 753 O GLU A 48 0.276 -14.971 -2.679 1.00 0.00 O ATOM 754 CB GLU A 48 -2.678 -14.689 -3.630 1.00 0.00 C ATOM 755 CG GLU A 48 -3.963 -15.451 -3.301 1.00 0.00 C ATOM 756 CD GLU A 48 -4.384 -16.291 -4.508 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.850 -15.711 -5.474 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.233 -17.500 -4.445 1.00 0.00 O ATOM 0 H GLU A 48 -2.787 -12.339 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.053 -15.041 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.909 -13.808 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.014 -15.315 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.805 -16.094 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.756 -14.751 -3.038 1.00 0.00 H new ATOM 765 N GLN A 49 -0.064 -12.789 -2.666 1.00 0.00 N ATOM 766 CA GLN A 49 1.386 -12.521 -2.894 1.00 0.00 C ATOM 767 C GLN A 49 2.200 -13.081 -1.729 1.00 0.00 C ATOM 768 O GLN A 49 1.783 -13.030 -0.588 1.00 0.00 O ATOM 769 CB GLN A 49 1.533 -10.992 -2.944 1.00 0.00 C ATOM 770 CG GLN A 49 0.791 -10.418 -4.156 1.00 0.00 C ATOM 771 CD GLN A 49 1.348 -11.016 -5.450 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.523 -11.311 -5.542 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.545 -11.208 -6.461 1.00 0.00 N ATOM 0 H GLN A 49 -0.654 -11.961 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 49 1.743 -12.988 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.138 -10.553 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.588 -10.724 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.274 -10.635 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.895 -9.333 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.441 -10.960 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.904 -11.606 -7.329 1.00 0.00 H new ATOM 782 N SER A 50 3.364 -13.587 -2.010 1.00 0.00 N ATOM 783 CA SER A 50 4.232 -14.126 -0.927 1.00 0.00 C ATOM 784 C SER A 50 5.155 -13.007 -0.436 1.00 0.00 C ATOM 785 O SER A 50 4.801 -11.845 -0.495 1.00 0.00 O ATOM 786 CB SER A 50 5.028 -15.258 -1.582 1.00 0.00 C ATOM 787 OG SER A 50 5.953 -14.704 -2.508 1.00 0.00 O ATOM 0 H SER A 50 3.756 -13.652 -2.949 1.00 0.00 H new ATOM 0 HA SER A 50 3.674 -14.491 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.556 -15.834 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.353 -15.946 -2.091 1.00 0.00 H new ATOM 0 HG SER A 50 6.466 -15.425 -2.929 1.00 0.00 H new ATOM 793 N ALA A 51 6.330 -13.334 0.036 1.00 0.00 N ATOM 794 CA ALA A 51 7.261 -12.269 0.514 1.00 0.00 C ATOM 795 C ALA A 51 7.937 -11.563 -0.674 1.00 0.00 C ATOM 796 O ALA A 51 8.642 -10.589 -0.496 1.00 0.00 O ATOM 797 CB ALA A 51 8.298 -12.997 1.370 1.00 0.00 C ATOM 0 H ALA A 51 6.684 -14.288 0.111 1.00 0.00 H new ATOM 0 HA ALA A 51 6.738 -11.496 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.019 -12.278 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.799 -13.495 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.816 -13.738 0.762 1.00 0.00 H new ATOM 803 N LYS A 52 7.730 -12.039 -1.883 1.00 0.00 N ATOM 804 CA LYS A 52 8.363 -11.378 -3.066 1.00 0.00 C ATOM 805 C LYS A 52 7.579 -10.116 -3.439 1.00 0.00 C ATOM 806 O LYS A 52 8.151 -9.078 -3.711 1.00 0.00 O ATOM 807 CB LYS A 52 8.285 -12.411 -4.192 1.00 0.00 C ATOM 808 CG LYS A 52 9.402 -12.148 -5.204 1.00 0.00 C ATOM 809 CD LYS A 52 9.369 -13.223 -6.292 1.00 0.00 C ATOM 810 CE LYS A 52 10.136 -12.730 -7.522 1.00 0.00 C ATOM 811 NZ LYS A 52 10.148 -13.889 -8.458 1.00 0.00 N ATOM 0 H LYS A 52 7.153 -12.852 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 52 9.391 -11.072 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.379 -13.417 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.314 -12.356 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.278 -11.161 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.370 -12.153 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.813 -14.146 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.338 -13.451 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.648 -11.865 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.149 -12.424 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.657 -13.628 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.625 -14.695 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.171 -14.153 -8.696 1.00 0.00 H new ATOM 825 N ASP A 53 6.273 -10.203 -3.446 1.00 0.00 N ATOM 826 CA ASP A 53 5.436 -9.016 -3.792 1.00 0.00 C ATOM 827 C ASP A 53 4.519 -8.665 -2.618 1.00 0.00 C ATOM 828 O ASP A 53 3.309 -8.619 -2.747 1.00 0.00 O ATOM 829 CB ASP A 53 4.612 -9.448 -5.002 1.00 0.00 C ATOM 830 CG ASP A 53 5.252 -8.906 -6.284 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.352 -9.329 -6.597 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.630 -8.079 -6.929 1.00 0.00 O ATOM 0 H ASP A 53 5.749 -11.050 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 53 6.038 -8.133 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.554 -10.536 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.591 -9.078 -4.909 1.00 0.00 H new ATOM 837 N LYS A 54 5.096 -8.420 -1.470 1.00 0.00 N ATOM 838 CA LYS A 54 4.277 -8.074 -0.275 1.00 0.00 C ATOM 839 C LYS A 54 5.157 -7.605 0.890 1.00 0.00 C ATOM 840 O LYS A 54 4.749 -6.777 1.682 1.00 0.00 O ATOM 841 CB LYS A 54 3.564 -9.374 0.084 1.00 0.00 C ATOM 842 CG LYS A 54 2.123 -9.069 0.501 1.00 0.00 C ATOM 843 CD LYS A 54 1.522 -10.268 1.235 1.00 0.00 C ATOM 844 CE LYS A 54 2.280 -10.504 2.543 1.00 0.00 C ATOM 845 NZ LYS A 54 1.260 -11.037 3.487 1.00 0.00 N ATOM 0 H LYS A 54 6.103 -8.445 -1.310 1.00 0.00 H new ATOM 0 HA LYS A 54 3.587 -7.255 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.571 -10.052 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.090 -9.877 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.101 -8.190 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.524 -8.834 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.467 -10.089 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.577 -11.157 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.097 -11.212 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.719 -9.579 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.704 -11.224 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.498 -10.339 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.864 -11.921 3.108 1.00 0.00 H new ATOM 859 N GLN A 55 6.352 -8.126 1.005 1.00 0.00 N ATOM 860 CA GLN A 55 7.252 -7.709 2.126 1.00 0.00 C ATOM 861 C GLN A 55 7.860 -6.319 1.865 1.00 0.00 C ATOM 862 O GLN A 55 7.791 -5.461 2.721 1.00 0.00 O ATOM 863 CB GLN A 55 8.351 -8.771 2.182 1.00 0.00 C ATOM 864 CG GLN A 55 7.925 -9.897 3.126 1.00 0.00 C ATOM 865 CD GLN A 55 7.909 -9.378 4.566 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.935 -9.006 5.100 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.780 -9.336 5.219 1.00 0.00 N ATOM 0 H GLN A 55 6.745 -8.822 0.372 1.00 0.00 H new ATOM 0 HA GLN A 55 6.706 -7.634 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.538 -9.169 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.284 -8.326 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.936 -10.263 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.613 -10.738 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.919 -9.648 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.758 -8.991 6.179 1.00 0.00 H new ATOM 876 N PRO A 56 8.449 -6.126 0.701 1.00 0.00 N ATOM 877 CA PRO A 56 9.065 -4.810 0.391 1.00 0.00 C ATOM 878 C PRO A 56 7.993 -3.743 0.119 1.00 0.00 C ATOM 879 O PRO A 56 8.299 -2.568 0.029 1.00 0.00 O ATOM 880 CB PRO A 56 9.890 -5.081 -0.864 1.00 0.00 C ATOM 881 CG PRO A 56 9.240 -6.261 -1.511 1.00 0.00 C ATOM 882 CD PRO A 56 8.604 -7.077 -0.416 1.00 0.00 C ATOM 0 HA PRO A 56 9.662 -4.424 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.891 -4.218 -1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.930 -5.292 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.491 -5.939 -2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.975 -6.854 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.642 -7.483 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.231 -7.923 -0.135 1.00 0.00 H new ATOM 890 N TYR A 57 6.746 -4.134 -0.013 1.00 0.00 N ATOM 891 CA TYR A 57 5.672 -3.131 -0.278 1.00 0.00 C ATOM 892 C TYR A 57 5.111 -2.592 1.040 1.00 0.00 C ATOM 893 O TYR A 57 4.744 -1.435 1.136 1.00 0.00 O ATOM 894 CB TYR A 57 4.597 -3.890 -1.055 1.00 0.00 C ATOM 895 CG TYR A 57 5.037 -4.051 -2.494 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.426 -2.930 -3.240 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.058 -5.322 -3.080 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.835 -3.082 -4.570 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.467 -5.473 -4.411 1.00 0.00 C ATOM 900 CZ TYR A 57 5.856 -4.354 -5.155 1.00 0.00 C ATOM 901 OH TYR A 57 6.260 -4.502 -6.466 1.00 0.00 O ATOM 0 H TYR A 57 6.430 -5.102 0.052 1.00 0.00 H new ATOM 0 HA TYR A 57 6.042 -2.271 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.428 -4.867 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.651 -3.350 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.410 -1.949 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.759 -6.186 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.134 -2.218 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.482 -6.454 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 57 6.026 -3.697 -6.973 1.00 0.00 H new ATOM 911 N GLU A 58 5.050 -3.415 2.058 1.00 0.00 N ATOM 912 CA GLU A 58 4.520 -2.939 3.372 1.00 0.00 C ATOM 913 C GLU A 58 5.590 -2.121 4.106 1.00 0.00 C ATOM 914 O GLU A 58 5.279 -1.299 4.944 1.00 0.00 O ATOM 915 CB GLU A 58 4.152 -4.205 4.158 1.00 0.00 C ATOM 916 CG GLU A 58 5.384 -5.104 4.329 1.00 0.00 C ATOM 917 CD GLU A 58 5.492 -5.565 5.785 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.711 -4.722 6.640 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.352 -6.754 6.021 1.00 0.00 O ATOM 0 H GLU A 58 5.343 -4.392 2.036 1.00 0.00 H new ATOM 0 HA GLU A 58 3.654 -2.288 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.755 -3.932 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.366 -4.750 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.309 -5.968 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.284 -4.561 4.042 1.00 0.00 H new ATOM 926 N GLN A 59 6.847 -2.326 3.786 1.00 0.00 N ATOM 927 CA GLN A 59 7.935 -1.546 4.451 1.00 0.00 C ATOM 928 C GLN A 59 8.190 -0.228 3.702 1.00 0.00 C ATOM 929 O GLN A 59 8.933 0.619 4.163 1.00 0.00 O ATOM 930 CB GLN A 59 9.170 -2.441 4.377 1.00 0.00 C ATOM 931 CG GLN A 59 8.942 -3.700 5.216 1.00 0.00 C ATOM 932 CD GLN A 59 9.996 -4.750 4.860 1.00 0.00 C ATOM 933 OE1 GLN A 59 11.170 -4.445 4.779 1.00 0.00 O ATOM 934 NE2 GLN A 59 9.626 -5.982 4.642 1.00 0.00 N ATOM 0 H GLN A 59 7.164 -3.002 3.091 1.00 0.00 H new ATOM 0 HA GLN A 59 7.677 -1.284 5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.372 -2.714 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.045 -1.902 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.999 -3.458 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.943 -4.096 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.641 -6.238 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.322 -6.689 4.404 1.00 0.00 H new ATOM 943 N LYS A 60 7.565 -0.039 2.561 1.00 0.00 N ATOM 944 CA LYS A 60 7.753 1.227 1.796 1.00 0.00 C ATOM 945 C LYS A 60 6.591 2.173 2.104 1.00 0.00 C ATOM 946 O LYS A 60 6.736 3.380 2.095 1.00 0.00 O ATOM 947 CB LYS A 60 7.738 0.811 0.325 1.00 0.00 C ATOM 948 CG LYS A 60 8.612 1.769 -0.487 1.00 0.00 C ATOM 949 CD LYS A 60 8.144 1.777 -1.943 1.00 0.00 C ATOM 950 CE LYS A 60 8.985 2.772 -2.745 1.00 0.00 C ATOM 951 NZ LYS A 60 10.279 2.075 -2.984 1.00 0.00 N ATOM 0 H LYS A 60 6.932 -0.713 2.130 1.00 0.00 H new ATOM 0 HA LYS A 60 8.677 1.746 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.106 -0.210 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.717 0.822 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.553 2.774 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.656 1.461 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.236 0.779 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.090 2.050 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.498 3.034 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.132 3.700 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.062 2.674 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.289 1.174 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.391 1.890 -4.001 1.00 0.00 H new ATOM 965 N ALA A 61 5.440 1.619 2.391 1.00 0.00 N ATOM 966 CA ALA A 61 4.254 2.456 2.721 1.00 0.00 C ATOM 967 C ALA A 61 4.191 2.674 4.233 1.00 0.00 C ATOM 968 O ALA A 61 3.735 3.697 4.707 1.00 0.00 O ATOM 969 CB ALA A 61 3.053 1.632 2.255 1.00 0.00 C ATOM 0 H ALA A 61 5.273 0.613 2.410 1.00 0.00 H new ATOM 0 HA ALA A 61 4.285 3.437 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.134 2.180 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.132 1.448 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.036 0.681 2.786 1.00 0.00 H new ATOM 975 N ALA A 62 4.640 1.704 4.988 1.00 0.00 N ATOM 976 CA ALA A 62 4.607 1.828 6.477 1.00 0.00 C ATOM 977 C ALA A 62 5.561 2.923 6.954 1.00 0.00 C ATOM 978 O ALA A 62 5.210 3.716 7.810 1.00 0.00 O ATOM 979 CB ALA A 62 5.053 0.466 7.011 1.00 0.00 C ATOM 0 H ALA A 62 5.029 0.829 4.637 1.00 0.00 H new ATOM 0 HA ALA A 62 3.613 2.101 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.052 0.485 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.366 -0.305 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.059 0.246 6.652 1.00 0.00 H new ATOM 985 N LYS A 63 6.756 2.992 6.414 1.00 0.00 N ATOM 986 CA LYS A 63 7.711 4.058 6.853 1.00 0.00 C ATOM 987 C LYS A 63 7.382 5.396 6.171 1.00 0.00 C ATOM 988 O LYS A 63 7.944 6.420 6.510 1.00 0.00 O ATOM 989 CB LYS A 63 9.091 3.562 6.415 1.00 0.00 C ATOM 990 CG LYS A 63 10.175 4.420 7.072 1.00 0.00 C ATOM 991 CD LYS A 63 11.498 3.653 7.080 1.00 0.00 C ATOM 992 CE LYS A 63 11.474 2.604 8.194 1.00 0.00 C ATOM 993 NZ LYS A 63 12.907 2.306 8.472 1.00 0.00 N ATOM 0 H LYS A 63 7.108 2.361 5.694 1.00 0.00 H new ATOM 0 HA LYS A 63 7.659 4.232 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.220 2.517 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.180 3.613 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.290 5.358 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.884 4.675 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.657 3.171 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.329 4.342 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.970 2.983 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.938 1.708 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.973 1.593 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.359 1.940 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.390 3.176 8.774 1.00 0.00 H new ATOM 1007 N LEU A 64 6.471 5.398 5.226 1.00 0.00 N ATOM 1008 CA LEU A 64 6.101 6.670 4.540 1.00 0.00 C ATOM 1009 C LEU A 64 4.837 7.251 5.180 1.00 0.00 C ATOM 1010 O LEU A 64 4.627 8.449 5.184 1.00 0.00 O ATOM 1011 CB LEU A 64 5.836 6.277 3.085 1.00 0.00 C ATOM 1012 CG LEU A 64 7.116 6.452 2.267 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.894 5.918 0.851 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.478 7.938 2.198 1.00 0.00 C ATOM 0 H LEU A 64 5.969 4.571 4.902 1.00 0.00 H new ATOM 0 HA LEU A 64 6.880 7.428 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.497 5.242 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.039 6.894 2.670 1.00 0.00 H new ATOM 0 HG LEU A 64 7.928 5.900 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.806 6.043 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.635 4.860 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.082 6.470 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.390 8.064 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.666 8.489 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.636 8.321 3.206 1.00 0.00 H new ATOM 1026 N LYS A 65 4.000 6.404 5.728 1.00 0.00 N ATOM 1027 CA LYS A 65 2.749 6.888 6.380 1.00 0.00 C ATOM 1028 C LYS A 65 3.088 7.590 7.699 1.00 0.00 C ATOM 1029 O LYS A 65 2.624 8.683 7.968 1.00 0.00 O ATOM 1030 CB LYS A 65 1.916 5.623 6.630 1.00 0.00 C ATOM 1031 CG LYS A 65 0.600 5.995 7.321 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.391 4.838 7.187 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.785 5.310 7.606 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.713 4.258 7.105 1.00 0.00 N ATOM 0 H LYS A 65 4.133 5.393 5.750 1.00 0.00 H new ATOM 0 HA LYS A 65 2.208 7.609 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.711 5.119 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.477 4.924 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.779 6.215 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.184 6.898 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.411 4.479 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.076 4.001 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.857 5.417 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.020 6.282 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.691 4.510 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.627 4.183 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.470 3.345 7.540 1.00 0.00 H new