USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -67:sc= 0.403 USER MOD Set 1.2: A 37 ASN : amide:sc= -1.21 K(o=-0.81,f=-2.2) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0866 (180deg=-0.528) USER MOD Single : A 25 MET CE :methyl -158:sc= -0.312 (180deg=-1.18!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.71! USER MOD Single : A 34 THR OG1 : rot -78:sc= 0.188 USER MOD Single : A 35 ASN :FLIP amide:sc= -6.47! C(o=-8.1!,f=-6.5!) USER MOD Single : A 40 ASN : amide:sc=-0.00578 K(o=-0.0058,f=-0.61) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00152 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0246 (180deg=-0.183) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.88! C(o=-3.7!,f=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.0166 (180deg=-0.181) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 65 GLN : amide:sc= -2.52! C(o=-2.5!,f=-9.8!) USER MOD Single : A 72 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.35) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.912 K(o=0.91,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.344 -6.256 -1.831 1.00 0.00 N ATOM 198 CA TRP A 16 -0.976 -5.426 -0.812 1.00 0.00 C ATOM 199 C TRP A 16 -0.740 -6.000 0.580 1.00 0.00 C ATOM 200 O TRP A 16 -0.543 -5.257 1.541 1.00 0.00 O ATOM 201 CB TRP A 16 -2.477 -5.308 -1.081 1.00 0.00 C ATOM 202 CG TRP A 16 -2.800 -4.513 -2.310 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.932 -4.143 -3.298 1.00 0.00 C ATOM 204 CD2 TRP A 16 -4.080 -3.989 -2.680 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.596 -3.420 -4.260 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.915 -3.313 -3.905 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.349 -4.027 -2.098 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.972 -2.680 -4.554 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.397 -3.398 -2.743 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.204 -2.733 -3.961 1.00 0.00 C ATOM 0 HA TRP A 16 -0.527 -4.434 -0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.900 -6.307 -1.182 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.958 -4.844 -0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.879 -4.383 -3.320 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.175 -3.027 -5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.509 -4.539 -1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.825 -2.166 -5.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.382 -3.419 -2.300 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.044 -2.253 -4.441 1.00 0.00 H new ATOM 221 N GLU A 17 -0.762 -7.325 0.682 1.00 0.00 N ATOM 222 CA GLU A 17 -0.550 -7.996 1.959 1.00 0.00 C ATOM 223 C GLU A 17 0.775 -7.572 2.584 1.00 0.00 C ATOM 224 O GLU A 17 0.928 -7.572 3.806 1.00 0.00 O ATOM 225 CB GLU A 17 -0.575 -9.515 1.772 1.00 0.00 C ATOM 226 CG GLU A 17 -0.808 -10.283 3.062 1.00 0.00 C ATOM 227 CD GLU A 17 -0.851 -11.784 2.848 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.459 -12.223 1.850 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.276 -12.518 3.678 1.00 0.00 O ATOM 0 H GLU A 17 -0.924 -7.955 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.358 -7.706 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.359 -9.772 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.371 -9.834 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.016 -10.043 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.746 -9.957 3.510 1.00 0.00 H new ATOM 236 N LYS A 18 1.733 -7.210 1.737 1.00 0.00 N ATOM 237 CA LYS A 18 3.046 -6.782 2.204 1.00 0.00 C ATOM 238 C LYS A 18 3.025 -5.314 2.617 1.00 0.00 C ATOM 239 O LYS A 18 3.303 -4.980 3.768 1.00 0.00 O ATOM 240 CB LYS A 18 4.095 -6.999 1.110 1.00 0.00 C ATOM 241 CG LYS A 18 4.429 -8.462 0.871 1.00 0.00 C ATOM 242 CD LYS A 18 5.594 -8.617 -0.092 1.00 0.00 C ATOM 243 CE LYS A 18 6.928 -8.402 0.606 1.00 0.00 C ATOM 244 NZ LYS A 18 7.186 -9.442 1.641 1.00 0.00 N ATOM 0 H LYS A 18 1.624 -7.205 0.723 1.00 0.00 H new ATOM 0 HA LYS A 18 3.307 -7.383 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.734 -6.560 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.006 -6.466 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.674 -8.940 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.554 -8.975 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.571 -9.612 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.490 -7.902 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.730 -8.417 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.940 -7.416 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.209 -9.513 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.703 -9.181 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.827 -10.360 1.308 1.00 0.00 H new ATOM 258 N GLU A 19 2.692 -4.442 1.670 1.00 0.00 N ATOM 259 CA GLU A 19 2.634 -3.009 1.938 1.00 0.00 C ATOM 260 C GLU A 19 1.755 -2.718 3.151 1.00 0.00 C ATOM 261 O GLU A 19 2.000 -1.767 3.893 1.00 0.00 O ATOM 262 CB GLU A 19 2.100 -2.260 0.715 1.00 0.00 C ATOM 263 CG GLU A 19 3.045 -2.287 -0.475 1.00 0.00 C ATOM 264 CD GLU A 19 4.501 -2.371 -0.062 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.097 -1.314 0.234 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.045 -3.494 -0.034 1.00 0.00 O ATOM 0 H GLU A 19 2.459 -4.702 0.712 1.00 0.00 H new ATOM 0 HA GLU A 19 3.645 -2.664 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.145 -2.696 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.905 -1.223 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.801 -3.140 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.893 -1.390 -1.075 1.00 0.00 H new ATOM 273 N GLU A 20 0.730 -3.543 3.344 1.00 0.00 N ATOM 274 CA GLU A 20 -0.186 -3.372 4.465 1.00 0.00 C ATOM 275 C GLU A 20 0.572 -3.355 5.789 1.00 0.00 C ATOM 276 O GLU A 20 0.229 -2.606 6.703 1.00 0.00 O ATOM 277 CB GLU A 20 -1.228 -4.492 4.476 1.00 0.00 C ATOM 278 CG GLU A 20 -2.490 -4.158 3.698 1.00 0.00 C ATOM 279 CD GLU A 20 -3.718 -4.854 4.250 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.663 -6.086 4.447 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.735 -4.168 4.485 1.00 0.00 O ATOM 0 H GLU A 20 0.514 -4.335 2.739 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.693 -2.415 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.783 -5.395 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.497 -4.717 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.649 -3.080 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.355 -4.442 2.654 1.00 0.00 H new ATOM 288 N ALA A 21 1.603 -4.187 5.885 1.00 0.00 N ATOM 289 CA ALA A 21 2.411 -4.268 7.095 1.00 0.00 C ATOM 290 C ALA A 21 3.261 -3.014 7.272 1.00 0.00 C ATOM 291 O ALA A 21 3.589 -2.627 8.395 1.00 0.00 O ATOM 292 CB ALA A 21 3.294 -5.506 7.060 1.00 0.00 C ATOM 0 H ALA A 21 1.899 -4.815 5.138 1.00 0.00 H new ATOM 0 HA ALA A 21 1.736 -4.342 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.892 -5.553 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.669 -6.397 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.955 -5.457 6.194 1.00 0.00 H new ATOM 298 N LEU A 22 3.615 -2.383 6.158 1.00 0.00 N ATOM 299 CA LEU A 22 4.428 -1.172 6.190 1.00 0.00 C ATOM 300 C LEU A 22 3.591 0.035 6.601 1.00 0.00 C ATOM 301 O LEU A 22 4.127 1.100 6.907 1.00 0.00 O ATOM 302 CB LEU A 22 5.063 -0.925 4.821 1.00 0.00 C ATOM 303 CG LEU A 22 5.955 -2.044 4.282 1.00 0.00 C ATOM 304 CD1 LEU A 22 6.110 -1.924 2.774 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.315 -2.017 4.964 1.00 0.00 C ATOM 0 H LEU A 22 3.352 -2.690 5.221 1.00 0.00 H new ATOM 0 HA LEU A 22 5.217 -1.312 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.265 -0.745 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.655 -0.011 4.877 1.00 0.00 H new ATOM 0 HG LEU A 22 5.479 -3.000 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.748 -2.729 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.131 -1.994 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.563 -0.963 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.937 -2.820 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.798 -1.058 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.186 -2.153 6.038 1.00 0.00 H new ATOM 317 N GLY A 23 2.273 -0.139 6.608 1.00 0.00 N ATOM 318 CA GLY A 23 1.384 0.944 6.985 1.00 0.00 C ATOM 319 C GLY A 23 1.662 2.218 6.213 1.00 0.00 C ATOM 320 O GLY A 23 1.559 2.244 4.987 1.00 0.00 O ATOM 0 H GLY A 23 1.805 -1.011 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.352 0.638 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.487 1.140 8.052 1.00 0.00 H new ATOM 324 N GLU A 24 2.014 3.279 6.933 1.00 0.00 N ATOM 325 CA GLU A 24 2.306 4.563 6.307 1.00 0.00 C ATOM 326 C GLU A 24 3.401 4.420 5.255 1.00 0.00 C ATOM 327 O GLU A 24 3.586 5.297 4.412 1.00 0.00 O ATOM 328 CB GLU A 24 2.729 5.586 7.363 1.00 0.00 C ATOM 329 CG GLU A 24 1.669 5.843 8.421 1.00 0.00 C ATOM 330 CD GLU A 24 2.185 6.684 9.572 1.00 0.00 C ATOM 331 OE1 GLU A 24 3.048 7.554 9.330 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.727 6.473 10.715 1.00 0.00 O ATOM 0 H GLU A 24 2.104 3.274 7.949 1.00 0.00 H new ATOM 0 HA GLU A 24 1.398 4.913 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.639 5.237 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.972 6.526 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.817 6.345 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.307 4.890 8.806 1.00 0.00 H new ATOM 339 N MET A 25 4.125 3.307 5.311 1.00 0.00 N ATOM 340 CA MET A 25 5.203 3.047 4.363 1.00 0.00 C ATOM 341 C MET A 25 4.701 2.220 3.183 1.00 0.00 C ATOM 342 O MET A 25 5.492 1.695 2.401 1.00 0.00 O ATOM 343 CB MET A 25 6.357 2.322 5.056 1.00 0.00 C ATOM 344 CG MET A 25 7.405 3.259 5.633 1.00 0.00 C ATOM 345 SD MET A 25 8.317 4.151 4.358 1.00 0.00 S ATOM 346 CE MET A 25 8.889 2.793 3.339 1.00 0.00 C ATOM 0 H MET A 25 3.985 2.571 6.003 1.00 0.00 H new ATOM 0 HA MET A 25 5.561 4.005 3.986 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.956 1.701 5.857 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.835 1.651 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.920 3.976 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.105 2.685 6.241 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.758 3.111 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.164 1.952 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.094 2.489 2.659 1.00 0.00 H new ATOM 356 N ALA A 26 3.382 2.107 3.063 1.00 0.00 N ATOM 357 CA ALA A 26 2.776 1.345 1.979 1.00 0.00 C ATOM 358 C ALA A 26 3.209 1.885 0.620 1.00 0.00 C ATOM 359 O ALA A 26 2.996 3.057 0.309 1.00 0.00 O ATOM 360 CB ALA A 26 1.260 1.368 2.100 1.00 0.00 C ATOM 0 H ALA A 26 2.713 2.534 3.704 1.00 0.00 H new ATOM 0 HA ALA A 26 3.119 0.313 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.821 0.795 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.964 0.928 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.907 2.398 2.051 1.00 0.00 H new ATOM 366 N THR A 27 3.818 1.022 -0.188 1.00 0.00 N ATOM 367 CA THR A 27 4.282 1.413 -1.513 1.00 0.00 C ATOM 368 C THR A 27 3.129 1.454 -2.509 1.00 0.00 C ATOM 369 O THR A 27 3.342 1.567 -3.717 1.00 0.00 O ATOM 370 CB THR A 27 5.364 0.450 -2.036 1.00 0.00 C ATOM 371 OG1 THR A 27 4.814 -0.863 -2.198 1.00 0.00 O ATOM 372 CG2 THR A 27 6.548 0.395 -1.082 1.00 0.00 C ATOM 0 H THR A 27 4.001 0.048 0.053 1.00 0.00 H new ATOM 0 HA THR A 27 4.710 2.411 -1.416 1.00 0.00 H new ATOM 0 HB THR A 27 5.712 0.820 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.508 -1.469 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.299 -0.292 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.982 1.390 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.212 0.047 -0.105 1.00 0.00 H new ATOM 380 N VAL A 28 1.906 1.362 -1.997 1.00 0.00 N ATOM 381 CA VAL A 28 0.718 1.391 -2.842 1.00 0.00 C ATOM 382 C VAL A 28 -0.173 2.578 -2.497 1.00 0.00 C ATOM 383 O VAL A 28 -0.110 3.115 -1.392 1.00 0.00 O ATOM 384 CB VAL A 28 -0.099 0.092 -2.705 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.814 -0.229 -4.008 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.799 -1.060 -2.281 1.00 0.00 C ATOM 0 H VAL A 28 1.712 1.267 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 28 1.063 1.488 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.853 0.237 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.386 -1.150 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.489 0.588 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.080 -0.355 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.205 -1.969 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.577 -1.209 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.259 -0.828 -1.320 1.00 0.00 H new ATOM 396 N ALA A 29 -1.004 2.984 -3.452 1.00 0.00 N ATOM 397 CA ALA A 29 -1.911 4.107 -3.249 1.00 0.00 C ATOM 398 C ALA A 29 -3.031 3.740 -2.282 1.00 0.00 C ATOM 399 O ALA A 29 -3.218 4.371 -1.242 1.00 0.00 O ATOM 400 CB ALA A 29 -2.488 4.566 -4.580 1.00 0.00 C ATOM 0 H ALA A 29 -1.068 2.552 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.343 4.927 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.164 5.405 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.678 4.877 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.036 3.745 -5.041 1.00 0.00 H new ATOM 406 N PRO A 30 -3.797 2.696 -2.632 1.00 0.00 N ATOM 407 CA PRO A 30 -4.913 2.221 -1.808 1.00 0.00 C ATOM 408 C PRO A 30 -4.441 1.568 -0.513 1.00 0.00 C ATOM 409 O PRO A 30 -4.914 1.905 0.572 1.00 0.00 O ATOM 410 CB PRO A 30 -5.604 1.192 -2.705 1.00 0.00 C ATOM 411 CG PRO A 30 -4.536 0.718 -3.630 1.00 0.00 C ATOM 412 CD PRO A 30 -3.632 1.897 -3.858 1.00 0.00 C ATOM 0 HA PRO A 30 -5.563 3.037 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.015 0.369 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.433 1.638 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.986 -0.117 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.962 0.365 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.596 1.588 -4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.921 2.459 -4.746 1.00 0.00 H new ATOM 420 N VAL A 31 -3.506 0.631 -0.636 1.00 0.00 N ATOM 421 CA VAL A 31 -2.968 -0.069 0.525 1.00 0.00 C ATOM 422 C VAL A 31 -2.388 0.912 1.538 1.00 0.00 C ATOM 423 O VAL A 31 -2.159 0.562 2.697 1.00 0.00 O ATOM 424 CB VAL A 31 -1.876 -1.075 0.118 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.576 -2.030 1.263 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.295 -1.840 -1.129 1.00 0.00 C ATOM 0 H VAL A 31 -3.105 0.339 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.798 -0.610 0.981 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.965 -0.523 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.802 -2.734 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.230 -1.464 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.481 -2.578 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.512 -2.547 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.219 -2.382 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.455 -1.140 -1.949 1.00 0.00 H new ATOM 436 N LEU A 32 -2.153 2.142 1.095 1.00 0.00 N ATOM 437 CA LEU A 32 -1.600 3.175 1.963 1.00 0.00 C ATOM 438 C LEU A 32 -2.710 4.018 2.582 1.00 0.00 C ATOM 439 O LEU A 32 -2.778 4.174 3.802 1.00 0.00 O ATOM 440 CB LEU A 32 -0.642 4.071 1.176 1.00 0.00 C ATOM 441 CG LEU A 32 -0.310 5.421 1.812 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.327 5.225 3.179 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.608 6.227 0.905 1.00 0.00 C ATOM 0 H LEU A 32 -2.337 2.448 0.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.051 2.684 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.289 3.526 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.072 4.252 0.191 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.238 5.977 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.556 6.197 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.364 4.689 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.246 4.649 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.834 7.185 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.534 5.676 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.115 6.399 -0.052 1.00 0.00 H new ATOM 455 N TYR A 33 -3.578 4.558 1.734 1.00 0.00 N ATOM 456 CA TYR A 33 -4.686 5.386 2.198 1.00 0.00 C ATOM 457 C TYR A 33 -5.367 4.755 3.409 1.00 0.00 C ATOM 458 O TYR A 33 -5.556 5.404 4.438 1.00 0.00 O ATOM 459 CB TYR A 33 -5.703 5.589 1.074 1.00 0.00 C ATOM 460 CG TYR A 33 -7.016 6.174 1.545 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.203 7.550 1.604 1.00 0.00 C ATOM 462 CD2 TYR A 33 -8.067 5.353 1.930 1.00 0.00 C ATOM 463 CE1 TYR A 33 -8.400 8.090 2.034 1.00 0.00 C ATOM 464 CE2 TYR A 33 -9.268 5.883 2.360 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.430 7.252 2.410 1.00 0.00 C ATOM 466 OH TYR A 33 -10.624 7.785 2.839 1.00 0.00 O ATOM 0 H TYR A 33 -3.536 4.438 0.722 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.284 6.355 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.272 6.247 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.894 4.631 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.399 8.208 1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.944 4.281 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.529 9.161 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.075 5.229 2.655 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.488 8.249 3.691 1.00 0.00 H new ATOM 476 N THR A 34 -5.733 3.484 3.278 1.00 0.00 N ATOM 477 CA THR A 34 -6.394 2.764 4.360 1.00 0.00 C ATOM 478 C THR A 34 -5.497 2.674 5.589 1.00 0.00 C ATOM 479 O THR A 34 -5.915 2.998 6.699 1.00 0.00 O ATOM 480 CB THR A 34 -6.795 1.342 3.925 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.680 0.684 3.313 1.00 0.00 O ATOM 482 CG2 THR A 34 -7.963 1.382 2.952 1.00 0.00 C ATOM 0 H THR A 34 -5.583 2.932 2.434 1.00 0.00 H new ATOM 0 HA THR A 34 -7.293 3.326 4.611 1.00 0.00 H new ATOM 0 HB THR A 34 -7.101 0.788 4.812 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.572 1.009 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.228 0.366 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.819 1.856 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.680 1.952 2.067 1.00 0.00 H new ATOM 490 N ASN A 35 -4.260 2.232 5.382 1.00 0.00 N ATOM 491 CA ASN A 35 -3.303 2.099 6.474 1.00 0.00 C ATOM 492 C ASN A 35 -3.365 3.310 7.401 1.00 0.00 C ATOM 493 O ASN A 35 -3.217 3.181 8.617 1.00 0.00 O ATOM 494 CB ASN A 35 -1.886 1.938 5.921 1.00 0.00 C ATOM 495 CG ASN A 35 -1.596 0.517 5.480 1.00 0.00 C ATOM 496 OD1 ASN A 35 -0.602 0.357 4.614 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -2.258 -0.427 5.913 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.898 1.960 4.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.565 1.210 7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.750 2.613 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.165 2.233 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.013 -0.258 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.051 -1.378 5.607 1.00 0.00 H new ATOM 504 N ILE A 36 -3.584 4.484 6.819 1.00 0.00 N ATOM 505 CA ILE A 36 -3.666 5.716 7.593 1.00 0.00 C ATOM 506 C ILE A 36 -5.109 6.027 7.978 1.00 0.00 C ATOM 507 O ILE A 36 -5.451 6.068 9.159 1.00 0.00 O ATOM 508 CB ILE A 36 -3.086 6.911 6.813 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.618 6.656 6.465 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.231 8.191 7.621 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.075 7.595 5.410 1.00 0.00 C ATOM 0 H ILE A 36 -3.708 4.608 5.814 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.076 5.562 8.496 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.645 7.026 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.017 6.752 7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.509 5.629 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.817 9.026 7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.286 8.377 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.694 8.089 8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.030 7.356 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.652 7.483 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.152 8.623 5.764 1.00 0.00 H new ATOM 523 N ASN A 37 -5.950 6.245 6.973 1.00 0.00 N ATOM 524 CA ASN A 37 -7.357 6.551 7.207 1.00 0.00 C ATOM 525 C ASN A 37 -7.998 5.505 8.113 1.00 0.00 C ATOM 526 O ASN A 37 -8.600 5.838 9.135 1.00 0.00 O ATOM 527 CB ASN A 37 -8.112 6.623 5.878 1.00 0.00 C ATOM 528 CG ASN A 37 -8.000 7.985 5.221 1.00 0.00 C ATOM 529 OD1 ASN A 37 -8.998 8.680 5.034 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.779 8.372 4.869 1.00 0.00 N ATOM 0 H ASN A 37 -5.682 6.216 5.989 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.415 7.520 7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.722 5.863 5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.163 6.390 6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.640 9.279 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.980 7.762 5.044 1.00 0.00 H new ATOM 537 N PHE A 38 -7.865 4.238 7.733 1.00 0.00 N ATOM 538 CA PHE A 38 -8.432 3.143 8.511 1.00 0.00 C ATOM 539 C PHE A 38 -7.336 2.369 9.239 1.00 0.00 C ATOM 540 O PHE A 38 -6.820 1.365 8.749 1.00 0.00 O ATOM 541 CB PHE A 38 -9.220 2.198 7.601 1.00 0.00 C ATOM 542 CG PHE A 38 -10.402 2.849 6.941 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.253 3.536 5.747 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.661 2.775 7.515 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.339 4.136 5.136 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.750 3.372 6.909 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.588 4.055 5.719 1.00 0.00 C ATOM 0 H PHE A 38 -7.369 3.945 6.891 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.107 3.569 9.254 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.554 1.808 6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.565 1.346 8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.278 3.604 5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.793 2.245 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.210 4.667 4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.727 3.305 7.365 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.437 4.525 5.245 1.00 0.00 H new ATOM 557 N PRO A 39 -6.971 2.848 10.437 1.00 0.00 N ATOM 558 CA PRO A 39 -5.934 2.218 11.259 1.00 0.00 C ATOM 559 C PRO A 39 -6.378 0.873 11.823 1.00 0.00 C ATOM 560 O PRO A 39 -5.625 -0.100 11.800 1.00 0.00 O ATOM 561 CB PRO A 39 -5.716 3.226 12.390 1.00 0.00 C ATOM 562 CG PRO A 39 -7.002 3.974 12.484 1.00 0.00 C ATOM 563 CD PRO A 39 -7.544 4.041 11.083 1.00 0.00 C ATOM 0 HA PRO A 39 -5.034 2.001 10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.481 2.724 13.328 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.884 3.895 12.169 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.701 3.467 13.149 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.844 4.973 12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.634 4.019 11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.239 4.957 10.578 1.00 0.00 H new ATOM 571 N ASN A 40 -7.607 0.824 12.327 1.00 0.00 N ATOM 572 CA ASN A 40 -8.152 -0.403 12.897 1.00 0.00 C ATOM 573 C ASN A 40 -8.718 -1.305 11.804 1.00 0.00 C ATOM 574 O ASN A 40 -9.402 -2.289 12.089 1.00 0.00 O ATOM 575 CB ASN A 40 -9.242 -0.075 13.919 1.00 0.00 C ATOM 576 CG ASN A 40 -8.675 0.482 15.210 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.298 -0.268 16.110 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.613 1.805 15.306 1.00 0.00 N ATOM 0 H ASN A 40 -8.244 1.620 12.352 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.342 -0.933 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.935 0.648 13.488 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.816 -0.976 14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.241 2.238 16.151 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.937 2.388 14.534 1.00 0.00 H new ATOM 585 N LEU A 41 -8.427 -0.964 10.554 1.00 0.00 N ATOM 586 CA LEU A 41 -8.906 -1.744 9.417 1.00 0.00 C ATOM 587 C LEU A 41 -8.772 -3.239 9.687 1.00 0.00 C ATOM 588 O LEU A 41 -9.741 -3.991 9.574 1.00 0.00 O ATOM 589 CB LEU A 41 -8.129 -1.370 8.154 1.00 0.00 C ATOM 590 CG LEU A 41 -8.634 -1.986 6.849 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.675 -1.087 6.201 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.475 -2.237 5.894 1.00 0.00 C ATOM 0 H LEU A 41 -7.862 -0.153 10.301 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.961 -1.514 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.144 -0.285 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.088 -1.663 8.292 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.103 -2.942 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.022 -1.542 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.518 -0.958 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.232 -0.115 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.853 -2.676 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.977 -1.294 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.764 -2.922 6.357 1.00 0.00 H new ATOM 604 N LYS A 42 -7.566 -3.664 10.047 1.00 0.00 N ATOM 605 CA LYS A 42 -7.305 -5.069 10.337 1.00 0.00 C ATOM 606 C LYS A 42 -8.413 -5.661 11.202 1.00 0.00 C ATOM 607 O LYS A 42 -8.825 -6.803 11.002 1.00 0.00 O ATOM 608 CB LYS A 42 -5.955 -5.223 11.043 1.00 0.00 C ATOM 609 CG LYS A 42 -5.788 -4.306 12.242 1.00 0.00 C ATOM 610 CD LYS A 42 -4.650 -4.764 13.139 1.00 0.00 C ATOM 611 CE LYS A 42 -4.880 -4.351 14.585 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.795 -4.840 15.480 1.00 0.00 N ATOM 0 H LYS A 42 -6.753 -3.055 10.145 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.278 -5.610 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.840 -6.257 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.156 -5.023 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.596 -3.289 11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.716 -4.280 12.814 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.552 -5.848 13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.711 -4.340 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.940 -3.264 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.838 -4.743 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.988 -4.538 16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.754 -5.878 15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.884 -4.445 15.169 1.00 0.00 H new ATOM 626 N GLU A 43 -8.891 -4.876 12.163 1.00 0.00 N ATOM 627 CA GLU A 43 -9.952 -5.324 13.057 1.00 0.00 C ATOM 628 C GLU A 43 -11.252 -5.546 12.290 1.00 0.00 C ATOM 629 O GLU A 43 -11.763 -6.664 12.226 1.00 0.00 O ATOM 630 CB GLU A 43 -10.173 -4.302 14.174 1.00 0.00 C ATOM 631 CG GLU A 43 -8.907 -3.949 14.936 1.00 0.00 C ATOM 632 CD GLU A 43 -8.646 -4.886 16.100 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.135 -6.000 15.861 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.953 -4.505 17.249 1.00 0.00 O ATOM 0 H GLU A 43 -8.560 -3.928 12.342 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.645 -6.272 13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.594 -3.393 13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.910 -4.695 14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.057 -3.977 14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.984 -2.927 15.307 1.00 0.00 H new ATOM 641 N GLU A 44 -11.781 -4.473 11.711 1.00 0.00 N ATOM 642 CA GLU A 44 -13.023 -4.550 10.950 1.00 0.00 C ATOM 643 C GLU A 44 -13.040 -5.791 10.062 1.00 0.00 C ATOM 644 O GLU A 44 -14.046 -6.497 9.982 1.00 0.00 O ATOM 645 CB GLU A 44 -13.201 -3.295 10.094 1.00 0.00 C ATOM 646 CG GLU A 44 -13.943 -2.175 10.804 1.00 0.00 C ATOM 647 CD GLU A 44 -13.063 -1.419 11.780 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.284 -0.554 11.328 1.00 0.00 O ATOM 649 OE2 GLU A 44 -13.153 -1.692 12.995 1.00 0.00 O ATOM 0 H GLU A 44 -11.370 -3.541 11.754 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.849 -4.619 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.220 -2.932 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.742 -3.559 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.338 -1.480 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.797 -2.592 11.338 1.00 0.00 H new ATOM 656 N PHE A 45 -11.920 -6.051 9.396 1.00 0.00 N ATOM 657 CA PHE A 45 -11.806 -7.205 8.512 1.00 0.00 C ATOM 658 C PHE A 45 -10.485 -7.935 8.739 1.00 0.00 C ATOM 659 O PHE A 45 -9.451 -7.593 8.164 1.00 0.00 O ATOM 660 CB PHE A 45 -11.915 -6.767 7.050 1.00 0.00 C ATOM 661 CG PHE A 45 -12.944 -5.697 6.820 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.626 -4.361 7.004 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.229 -6.028 6.422 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.570 -3.374 6.793 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.177 -5.045 6.209 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.848 -3.716 6.396 1.00 0.00 C ATOM 0 H PHE A 45 -11.078 -5.478 9.452 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.623 -7.889 8.741 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.944 -6.404 6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.161 -7.634 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.629 -4.088 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.493 -7.065 6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.309 -2.336 6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.175 -5.316 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.588 -2.947 6.232 1.00 0.00 H new ATOM 676 N PRO A 46 -10.518 -8.965 9.598 1.00 0.00 N ATOM 677 CA PRO A 46 -9.333 -9.765 9.921 1.00 0.00 C ATOM 678 C PRO A 46 -8.880 -10.629 8.749 1.00 0.00 C ATOM 679 O PRO A 46 -7.690 -10.708 8.447 1.00 0.00 O ATOM 680 CB PRO A 46 -9.804 -10.643 11.082 1.00 0.00 C ATOM 681 CG PRO A 46 -11.281 -10.740 10.910 1.00 0.00 C ATOM 682 CD PRO A 46 -11.716 -9.428 10.319 1.00 0.00 C ATOM 0 HA PRO A 46 -8.473 -9.141 10.163 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.336 -11.627 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.546 -10.199 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.544 -11.570 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.774 -10.920 11.865 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.566 -9.552 9.648 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.019 -8.720 11.091 1.00 0.00 H new ATOM 690 N ASP A 47 -9.837 -11.276 8.093 1.00 0.00 N ATOM 691 CA ASP A 47 -9.537 -12.134 6.952 1.00 0.00 C ATOM 692 C ASP A 47 -9.114 -11.304 5.744 1.00 0.00 C ATOM 693 O ASP A 47 -9.917 -10.565 5.175 1.00 0.00 O ATOM 694 CB ASP A 47 -10.753 -12.991 6.598 1.00 0.00 C ATOM 695 CG ASP A 47 -11.532 -13.427 7.823 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.893 -13.789 8.833 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.779 -13.408 7.772 1.00 0.00 O ATOM 0 H ASP A 47 -10.827 -11.223 8.332 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.710 -12.788 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.410 -12.428 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.424 -13.873 6.048 1.00 0.00 H new ATOM 702 N TRP A 48 -7.849 -11.432 5.360 1.00 0.00 N ATOM 703 CA TRP A 48 -7.319 -10.692 4.220 1.00 0.00 C ATOM 704 C TRP A 48 -8.306 -10.703 3.057 1.00 0.00 C ATOM 705 O TRP A 48 -8.798 -9.655 2.637 1.00 0.00 O ATOM 706 CB TRP A 48 -5.983 -11.289 3.775 1.00 0.00 C ATOM 707 CG TRP A 48 -5.487 -10.732 2.475 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.149 -11.440 1.356 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.272 -9.352 2.159 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.737 -10.582 0.365 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.804 -9.297 0.832 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.431 -8.159 2.868 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.493 -8.094 0.203 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.122 -6.966 2.242 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.658 -6.941 0.920 1.00 0.00 C ATOM 0 H TRP A 48 -7.172 -12.040 5.820 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.163 -9.659 4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.237 -11.107 4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.089 -12.370 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.198 -12.515 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.431 -10.858 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.789 -8.169 3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.134 -8.072 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.240 -6.038 2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.426 -5.993 0.458 1.00 0.00 H new ATOM 726 N THR A 49 -8.593 -11.894 2.541 1.00 0.00 N ATOM 727 CA THR A 49 -9.521 -12.040 1.427 1.00 0.00 C ATOM 728 C THR A 49 -10.727 -11.123 1.592 1.00 0.00 C ATOM 729 O THR A 49 -11.337 -10.698 0.609 1.00 0.00 O ATOM 730 CB THR A 49 -10.011 -13.494 1.291 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.971 -14.400 1.676 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.443 -13.789 -0.138 1.00 0.00 C ATOM 0 H THR A 49 -8.196 -12.771 2.877 1.00 0.00 H new ATOM 0 HA THR A 49 -8.977 -11.761 0.524 1.00 0.00 H new ATOM 0 HB THR A 49 -10.870 -13.627 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.291 -15.322 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.785 -14.822 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.255 -13.118 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.599 -13.639 -0.811 1.00 0.00 H new ATOM 740 N THR A 50 -11.068 -10.819 2.840 1.00 0.00 N ATOM 741 CA THR A 50 -12.202 -9.952 3.134 1.00 0.00 C ATOM 742 C THR A 50 -11.767 -8.495 3.242 1.00 0.00 C ATOM 743 O THR A 50 -12.442 -7.597 2.739 1.00 0.00 O ATOM 744 CB THR A 50 -12.902 -10.366 4.442 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.309 -11.737 4.368 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.113 -9.485 4.710 1.00 0.00 C ATOM 0 H THR A 50 -10.574 -11.161 3.664 1.00 0.00 H new ATOM 0 HA THR A 50 -12.903 -10.058 2.307 1.00 0.00 H new ATOM 0 HB THR A 50 -12.194 -10.242 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.752 -11.992 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.591 -9.796 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.795 -8.446 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.822 -9.581 3.887 1.00 0.00 H new ATOM 754 N ARG A 51 -10.635 -8.268 3.901 1.00 0.00 N ATOM 755 CA ARG A 51 -10.110 -6.919 4.075 1.00 0.00 C ATOM 756 C ARG A 51 -9.706 -6.315 2.734 1.00 0.00 C ATOM 757 O ARG A 51 -10.150 -5.225 2.372 1.00 0.00 O ATOM 758 CB ARG A 51 -8.909 -6.935 5.022 1.00 0.00 C ATOM 759 CG ARG A 51 -8.150 -5.619 5.066 1.00 0.00 C ATOM 760 CD ARG A 51 -7.182 -5.572 6.238 1.00 0.00 C ATOM 761 NE ARG A 51 -5.971 -6.346 5.979 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.863 -7.646 6.227 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.889 -8.315 6.737 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.728 -8.281 5.964 1.00 0.00 N ATOM 0 H ARG A 51 -10.064 -9.001 4.323 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.898 -6.303 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.253 -7.180 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.227 -7.728 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.601 -5.483 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.857 -4.793 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.913 -4.536 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.675 -5.957 7.131 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.164 -5.861 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.764 -7.831 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.803 -9.314 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.937 -7.770 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.646 -9.280 6.155 1.00 0.00 H new ATOM 778 N VAL A 52 -8.861 -7.031 1.999 1.00 0.00 N ATOM 779 CA VAL A 52 -8.397 -6.566 0.697 1.00 0.00 C ATOM 780 C VAL A 52 -9.547 -5.995 -0.125 1.00 0.00 C ATOM 781 O VAL A 52 -9.441 -4.906 -0.689 1.00 0.00 O ATOM 782 CB VAL A 52 -7.727 -7.703 -0.099 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.724 -8.817 -0.380 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.133 -7.168 -1.393 1.00 0.00 C ATOM 0 H VAL A 52 -8.484 -7.935 2.283 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.664 -5.782 0.884 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.917 -8.116 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.233 -9.611 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.097 -9.218 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.557 -8.422 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.664 -7.984 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.923 -6.728 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.386 -6.408 -1.164 1.00 0.00 H new ATOM 794 N LYS A 53 -10.648 -6.737 -0.187 1.00 0.00 N ATOM 795 CA LYS A 53 -11.821 -6.305 -0.938 1.00 0.00 C ATOM 796 C LYS A 53 -12.265 -4.913 -0.500 1.00 0.00 C ATOM 797 O LYS A 53 -12.697 -4.104 -1.320 1.00 0.00 O ATOM 798 CB LYS A 53 -12.967 -7.301 -0.750 1.00 0.00 C ATOM 799 CG LYS A 53 -12.701 -8.660 -1.374 1.00 0.00 C ATOM 800 CD LYS A 53 -13.599 -9.732 -0.779 1.00 0.00 C ATOM 801 CE LYS A 53 -13.383 -11.077 -1.455 1.00 0.00 C ATOM 802 NZ LYS A 53 -13.799 -11.053 -2.885 1.00 0.00 N ATOM 0 H LYS A 53 -10.752 -7.641 0.274 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.552 -6.265 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.153 -7.430 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.875 -6.883 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.863 -8.605 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.657 -8.933 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.400 -9.824 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.642 -9.434 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.330 -11.352 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.948 -11.844 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.863 -12.027 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.727 -10.592 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.098 -10.524 -3.442 1.00 0.00 H new ATOM 816 N GLN A 54 -12.154 -4.643 0.797 1.00 0.00 N ATOM 817 CA GLN A 54 -12.544 -3.348 1.343 1.00 0.00 C ATOM 818 C GLN A 54 -11.628 -2.243 0.829 1.00 0.00 C ATOM 819 O GLN A 54 -12.076 -1.316 0.153 1.00 0.00 O ATOM 820 CB GLN A 54 -12.512 -3.385 2.872 1.00 0.00 C ATOM 821 CG GLN A 54 -13.555 -4.308 3.480 1.00 0.00 C ATOM 822 CD GLN A 54 -14.973 -3.835 3.226 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.362 -2.750 3.884 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.711 -4.439 2.446 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.798 -5.303 1.488 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.561 -3.134 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.522 -3.704 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.665 -2.376 3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.431 -5.310 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.388 -4.381 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.370 -5.269 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.663 -4.109 2.285 1.00 0.00 H new ATOM 833 N ILE A 55 -10.344 -2.346 1.155 1.00 0.00 N ATOM 834 CA ILE A 55 -9.365 -1.356 0.726 1.00 0.00 C ATOM 835 C ILE A 55 -9.680 -0.841 -0.674 1.00 0.00 C ATOM 836 O ILE A 55 -9.433 0.322 -0.990 1.00 0.00 O ATOM 837 CB ILE A 55 -7.937 -1.933 0.739 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.555 -2.374 2.153 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.946 -0.906 0.213 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.318 -3.244 2.202 1.00 0.00 C ATOM 0 H ILE A 55 -9.958 -3.106 1.715 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.421 -0.530 1.435 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.907 -2.805 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.392 -1.490 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.390 -2.919 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.941 -1.329 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.210 -0.636 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.975 -0.017 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.107 -3.519 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.484 -4.146 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.470 -2.695 1.792 1.00 0.00 H new ATOM 852 N ALA A 56 -10.230 -1.717 -1.510 1.00 0.00 N ATOM 853 CA ALA A 56 -10.583 -1.350 -2.876 1.00 0.00 C ATOM 854 C ALA A 56 -11.748 -0.367 -2.897 1.00 0.00 C ATOM 855 O ALA A 56 -11.608 0.768 -3.353 1.00 0.00 O ATOM 856 CB ALA A 56 -10.925 -2.593 -3.684 1.00 0.00 C ATOM 0 H ALA A 56 -10.440 -2.685 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.721 -0.861 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.187 -2.305 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.064 -3.261 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.770 -3.105 -3.224 1.00 0.00 H new ATOM 862 N LYS A 57 -12.899 -0.809 -2.400 1.00 0.00 N ATOM 863 CA LYS A 57 -14.089 0.033 -2.360 1.00 0.00 C ATOM 864 C LYS A 57 -13.807 1.339 -1.626 1.00 0.00 C ATOM 865 O LYS A 57 -14.298 2.400 -2.015 1.00 0.00 O ATOM 866 CB LYS A 57 -15.241 -0.710 -1.679 1.00 0.00 C ATOM 867 CG LYS A 57 -15.310 -0.480 -0.179 1.00 0.00 C ATOM 868 CD LYS A 57 -16.096 0.777 0.156 1.00 0.00 C ATOM 869 CE LYS A 57 -17.592 0.504 0.197 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.350 1.652 0.767 1.00 0.00 N ATOM 0 H LYS A 57 -13.033 -1.746 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.372 0.268 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.182 -0.396 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.137 -1.778 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.776 -1.341 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.301 -0.398 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.769 1.166 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.886 1.548 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.951 0.296 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.782 -0.389 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.365 1.427 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.026 1.834 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.189 2.498 0.184 1.00 0.00 H new ATOM 884 N LEU A 58 -13.014 1.257 -0.563 1.00 0.00 N ATOM 885 CA LEU A 58 -12.666 2.434 0.225 1.00 0.00 C ATOM 886 C LEU A 58 -11.737 3.357 -0.557 1.00 0.00 C ATOM 887 O LEU A 58 -11.745 4.572 -0.360 1.00 0.00 O ATOM 888 CB LEU A 58 -12.001 2.014 1.537 1.00 0.00 C ATOM 889 CG LEU A 58 -12.878 1.228 2.512 1.00 0.00 C ATOM 890 CD1 LEU A 58 -12.019 0.505 3.538 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.870 2.153 3.202 1.00 0.00 C ATOM 0 H LEU A 58 -12.600 0.387 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.584 2.977 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.125 1.411 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.643 2.911 2.043 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.439 0.483 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.660 -0.049 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.349 -0.187 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.432 1.232 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.486 1.576 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.328 2.921 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.508 2.625 2.455 1.00 0.00 H new ATOM 903 N TRP A 59 -10.939 2.773 -1.444 1.00 0.00 N ATOM 904 CA TRP A 59 -10.006 3.544 -2.257 1.00 0.00 C ATOM 905 C TRP A 59 -10.731 4.247 -3.399 1.00 0.00 C ATOM 906 O TRP A 59 -10.380 5.366 -3.774 1.00 0.00 O ATOM 907 CB TRP A 59 -8.911 2.633 -2.815 1.00 0.00 C ATOM 908 CG TRP A 59 -8.077 3.287 -3.874 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.134 3.060 -5.220 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.060 4.275 -3.675 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.214 3.847 -5.869 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.542 4.602 -4.944 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.537 4.916 -2.549 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.528 5.540 -5.115 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.529 5.847 -2.720 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.034 6.152 -3.995 1.00 0.00 C ATOM 0 H TRP A 59 -10.920 1.768 -1.618 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.549 4.302 -1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.263 2.313 -1.999 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.371 1.735 -3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.804 2.364 -5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.057 3.866 -6.877 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.913 4.688 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.145 5.776 -6.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.116 6.347 -1.856 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.247 6.885 -4.096 1.00 0.00 H new ATOM 927 N ARG A 60 -11.744 3.585 -3.948 1.00 0.00 N ATOM 928 CA ARG A 60 -12.518 4.147 -5.048 1.00 0.00 C ATOM 929 C ARG A 60 -13.231 5.424 -4.614 1.00 0.00 C ATOM 930 O ARG A 60 -13.077 6.476 -5.235 1.00 0.00 O ATOM 931 CB ARG A 60 -13.539 3.127 -5.555 1.00 0.00 C ATOM 932 CG ARG A 60 -12.913 1.833 -6.050 1.00 0.00 C ATOM 933 CD ARG A 60 -11.606 2.091 -6.784 1.00 0.00 C ATOM 934 NE ARG A 60 -11.785 2.990 -7.921 1.00 0.00 N ATOM 935 CZ ARG A 60 -10.813 3.305 -8.769 1.00 0.00 C ATOM 936 NH1 ARG A 60 -9.599 2.796 -8.610 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.054 4.130 -9.780 1.00 0.00 N ATOM 0 H ARG A 60 -12.048 2.658 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.829 4.393 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.240 2.898 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.116 3.574 -6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.732 1.169 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.610 1.321 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.881 2.521 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.193 1.144 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.707 3.398 -8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.410 2.161 -7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.854 3.040 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.987 4.523 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.306 4.371 -10.431 1.00 0.00 H new ATOM 951 N LYS A 61 -14.013 5.324 -3.544 1.00 0.00 N ATOM 952 CA LYS A 61 -14.750 6.470 -3.026 1.00 0.00 C ATOM 953 C LYS A 61 -13.880 7.723 -3.027 1.00 0.00 C ATOM 954 O LYS A 61 -14.309 8.787 -3.472 1.00 0.00 O ATOM 955 CB LYS A 61 -15.247 6.183 -1.607 1.00 0.00 C ATOM 956 CG LYS A 61 -15.815 7.404 -0.903 1.00 0.00 C ATOM 957 CD LYS A 61 -15.743 7.260 0.608 1.00 0.00 C ATOM 958 CE LYS A 61 -16.995 6.601 1.166 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.173 7.510 1.107 1.00 0.00 N ATOM 0 H LYS A 61 -14.152 4.461 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.607 6.644 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.013 5.409 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.423 5.784 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.264 8.292 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.852 7.551 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.868 6.668 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.614 8.242 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.209 5.692 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.818 6.302 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.911 7.164 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.886 8.469 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.545 7.533 0.136 1.00 0.00 H new ATOM 973 N ALA A 62 -12.656 7.589 -2.528 1.00 0.00 N ATOM 974 CA ALA A 62 -11.725 8.709 -2.475 1.00 0.00 C ATOM 975 C ALA A 62 -11.628 9.406 -3.828 1.00 0.00 C ATOM 976 O ALA A 62 -11.143 8.829 -4.801 1.00 0.00 O ATOM 977 CB ALA A 62 -10.352 8.233 -2.025 1.00 0.00 C ATOM 0 H ALA A 62 -12.286 6.715 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.103 9.430 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.667 9.080 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.429 7.787 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.976 7.491 -2.729 1.00 0.00 H new ATOM 983 N SER A 63 -12.093 10.650 -3.882 1.00 0.00 N ATOM 984 CA SER A 63 -12.063 11.424 -5.117 1.00 0.00 C ATOM 985 C SER A 63 -10.656 11.453 -5.706 1.00 0.00 C ATOM 986 O SER A 63 -9.665 11.371 -4.980 1.00 0.00 O ATOM 987 CB SER A 63 -12.550 12.852 -4.861 1.00 0.00 C ATOM 988 OG SER A 63 -13.944 12.879 -4.613 1.00 0.00 O ATOM 0 H SER A 63 -12.495 11.143 -3.085 1.00 0.00 H new ATOM 0 HA SER A 63 -12.729 10.943 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.018 13.274 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.319 13.478 -5.723 1.00 0.00 H new ATOM 0 HG SER A 63 -14.230 13.802 -4.451 1.00 0.00 H new ATOM 994 N SER A 64 -10.576 11.569 -7.028 1.00 0.00 N ATOM 995 CA SER A 64 -9.291 11.604 -7.716 1.00 0.00 C ATOM 996 C SER A 64 -8.362 12.633 -7.080 1.00 0.00 C ATOM 997 O SER A 64 -7.181 12.366 -6.861 1.00 0.00 O ATOM 998 CB SER A 64 -9.492 11.928 -9.198 1.00 0.00 C ATOM 999 OG SER A 64 -10.656 11.299 -9.705 1.00 0.00 O ATOM 0 H SER A 64 -11.386 11.640 -7.644 1.00 0.00 H new ATOM 0 HA SER A 64 -8.831 10.620 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.571 13.007 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.621 11.601 -9.766 1.00 0.00 H new ATOM 0 HG SER A 64 -10.763 11.523 -10.653 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.906 13.810 -6.787 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.126 14.880 -6.176 1.00 0.00 C ATOM 1007 C GLN A 65 -7.667 14.489 -4.775 1.00 0.00 C ATOM 1008 O GLN A 65 -6.734 15.078 -4.231 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.948 16.169 -6.115 1.00 0.00 C ATOM 1010 CG GLN A 65 -10.149 16.081 -5.187 1.00 0.00 C ATOM 1011 CD GLN A 65 -11.402 15.606 -5.896 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -11.332 15.010 -6.972 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -12.557 15.869 -5.297 1.00 0.00 N ATOM 0 H GLN A 65 -9.883 14.047 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.244 15.049 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.305 16.985 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.292 16.418 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.920 15.400 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.335 17.060 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.568 16.365 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.434 15.575 -5.728 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.331 13.492 -4.198 1.00 0.00 N ATOM 1023 CA GLU A 66 -7.991 13.024 -2.859 1.00 0.00 C ATOM 1024 C GLU A 66 -6.839 12.025 -2.909 1.00 0.00 C ATOM 1025 O GLU A 66 -5.994 11.991 -2.014 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.210 12.381 -2.195 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.939 11.869 -0.790 1.00 0.00 C ATOM 1028 CD GLU A 66 -9.032 12.961 0.257 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -8.454 14.046 0.036 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.683 12.732 1.298 1.00 0.00 O ATOM 0 H GLU A 66 -9.106 12.994 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.677 13.885 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.019 13.110 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.556 11.553 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.652 11.080 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.946 11.422 -0.756 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.813 11.212 -3.960 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.767 10.210 -4.125 1.00 0.00 C ATOM 1039 C ARG A 67 -4.487 10.845 -4.660 1.00 0.00 C ATOM 1040 O ARG A 67 -3.408 10.259 -4.570 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.235 9.105 -5.074 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.678 8.681 -4.850 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.278 8.066 -6.105 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.288 7.321 -6.877 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.487 6.909 -8.124 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.634 7.167 -8.736 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.537 6.236 -8.762 1.00 0.00 N ATOM 0 H ARG A 67 -7.504 11.228 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.557 9.776 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.121 9.448 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.587 8.237 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.724 7.961 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.270 9.545 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.096 7.401 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.704 8.854 -6.726 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.395 7.105 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.367 7.683 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.784 6.849 -9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.653 6.035 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.691 5.920 -9.720 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.614 12.045 -5.215 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.468 12.760 -5.762 1.00 0.00 C ATOM 1063 C ALA A 68 -2.207 12.476 -4.953 1.00 0.00 C ATOM 1064 O ALA A 68 -1.204 11.987 -5.472 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.747 14.255 -5.801 1.00 0.00 C ATOM 0 H ALA A 68 -5.500 12.543 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.303 12.406 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.882 14.776 -6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.618 14.446 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.941 14.615 -4.791 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.256 12.790 -3.650 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.126 12.578 -2.741 1.00 0.00 C ATOM 1073 C PRO A 69 -0.866 11.099 -2.475 1.00 0.00 C ATOM 1074 O PRO A 69 0.260 10.622 -2.617 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.566 13.283 -1.456 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.055 13.270 -1.508 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.419 13.377 -2.963 1.00 0.00 C ATOM 0 HA PRO A 69 -0.193 12.961 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.196 12.763 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.180 14.301 -1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.453 12.353 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.473 14.101 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.336 12.833 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.581 14.413 -3.261 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.913 10.379 -2.089 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.797 8.955 -1.801 1.00 0.00 C ATOM 1087 C TYR A 70 -1.299 8.191 -3.024 1.00 0.00 C ATOM 1088 O TYR A 70 -0.850 7.050 -2.918 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.146 8.393 -1.350 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.715 9.088 -0.133 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.155 8.900 1.124 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.814 9.932 -0.241 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.671 9.533 2.238 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.336 10.570 0.867 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.762 10.367 2.105 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.280 10.999 3.212 1.00 0.00 O ATOM 0 H TYR A 70 -2.852 10.758 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.072 8.831 -0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.858 8.476 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.033 7.331 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.301 8.248 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.268 10.092 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.223 9.376 3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.189 11.224 0.765 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.045 11.550 2.946 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.382 8.829 -4.187 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.939 8.212 -5.432 1.00 0.00 C ATOM 1108 C VAL A 71 0.563 8.385 -5.626 1.00 0.00 C ATOM 1109 O VAL A 71 1.257 7.452 -6.029 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.675 8.808 -6.647 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.131 8.222 -7.941 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.173 8.569 -6.532 1.00 0.00 C ATOM 0 H VAL A 71 -1.752 9.774 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.173 7.150 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.502 9.884 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.663 8.655 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.068 8.450 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.271 7.141 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.677 8.997 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.368 7.497 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.548 9.042 -5.624 1.00 0.00 H new ATOM 1122 N GLN A 72 1.058 9.584 -5.336 1.00 0.00 N ATOM 1123 CA GLN A 72 2.478 9.879 -5.479 1.00 0.00 C ATOM 1124 C GLN A 72 3.272 9.316 -4.305 1.00 0.00 C ATOM 1125 O GLN A 72 4.343 8.736 -4.486 1.00 0.00 O ATOM 1126 CB GLN A 72 2.700 11.389 -5.583 1.00 0.00 C ATOM 1127 CG GLN A 72 4.139 11.811 -5.336 1.00 0.00 C ATOM 1128 CD GLN A 72 5.076 11.366 -6.442 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.754 11.477 -7.625 1.00 0.00 O ATOM 1130 NE2 GLN A 72 6.243 10.860 -6.061 1.00 0.00 N ATOM 0 H GLN A 72 0.496 10.367 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 72 2.831 9.404 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.397 11.725 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.054 11.893 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.184 12.896 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.478 11.394 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.468 10.787 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.915 10.544 -6.761 1.00 0.00 H new ATOM 1139 N LYS A 73 2.741 9.493 -3.099 1.00 0.00 N ATOM 1140 CA LYS A 73 3.399 9.003 -1.894 1.00 0.00 C ATOM 1141 C LYS A 73 3.815 7.544 -2.056 1.00 0.00 C ATOM 1142 O LYS A 73 4.959 7.182 -1.784 1.00 0.00 O ATOM 1143 CB LYS A 73 2.470 9.148 -0.687 1.00 0.00 C ATOM 1144 CG LYS A 73 3.182 9.016 0.648 1.00 0.00 C ATOM 1145 CD LYS A 73 2.390 9.668 1.770 1.00 0.00 C ATOM 1146 CE LYS A 73 2.774 9.099 3.127 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.202 9.899 4.245 1.00 0.00 N ATOM 0 H LYS A 73 1.857 9.972 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 73 4.295 9.602 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.978 10.120 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.688 8.392 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.337 7.961 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.168 9.476 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.565 10.744 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.324 9.517 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.425 8.069 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.860 9.074 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.486 9.479 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.555 10.876 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.164 9.902 4.175 1.00 0.00 H new ATOM 1161 N ALA A 74 2.879 6.712 -2.501 1.00 0.00 N ATOM 1162 CA ALA A 74 3.150 5.295 -2.703 1.00 0.00 C ATOM 1163 C ALA A 74 4.401 5.090 -3.551 1.00 0.00 C ATOM 1164 O ALA A 74 5.245 4.251 -3.236 1.00 0.00 O ATOM 1165 CB ALA A 74 1.953 4.615 -3.351 1.00 0.00 C ATOM 0 H ALA A 74 1.926 6.996 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 74 3.326 4.842 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.170 3.557 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.081 4.722 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.749 5.079 -4.316 1.00 0.00 H new ATOM 1171 N ARG A 75 4.512 5.861 -4.628 1.00 0.00 N ATOM 1172 CA ARG A 75 5.659 5.762 -5.523 1.00 0.00 C ATOM 1173 C ARG A 75 6.936 6.217 -4.822 1.00 0.00 C ATOM 1174 O ARG A 75 7.976 5.565 -4.919 1.00 0.00 O ATOM 1175 CB ARG A 75 5.427 6.603 -6.779 1.00 0.00 C ATOM 1176 CG ARG A 75 4.307 6.080 -7.663 1.00 0.00 C ATOM 1177 CD ARG A 75 3.666 7.198 -8.471 1.00 0.00 C ATOM 1178 NE ARG A 75 2.681 6.691 -9.422 1.00 0.00 N ATOM 1179 CZ ARG A 75 3.002 6.051 -10.541 1.00 0.00 C ATOM 1180 NH1 ARG A 75 4.274 5.840 -10.846 1.00 0.00 N ATOM 1181 NH2 ARG A 75 2.048 5.619 -11.357 1.00 0.00 N ATOM 0 H ARG A 75 3.822 6.561 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 75 5.775 4.717 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.197 7.627 -6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.350 6.638 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.700 5.321 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.550 5.596 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.186 7.905 -7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.440 7.746 -9.008 1.00 0.00 H new ATOM 0 HE ARG A 75 1.693 6.836 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.010 6.169 -10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.517 5.348 -11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.068 5.778 -11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.295 5.128 -12.216 1.00 0.00 H new ATOM 1195 N ASP A 76 6.850 7.340 -4.117 1.00 0.00 N ATOM 1196 CA ASP A 76 7.997 7.883 -3.400 1.00 0.00 C ATOM 1197 C ASP A 76 8.442 6.936 -2.289 1.00 0.00 C ATOM 1198 O ASP A 76 9.625 6.859 -1.963 1.00 0.00 O ATOM 1199 CB ASP A 76 7.657 9.254 -2.812 1.00 0.00 C ATOM 1200 CG ASP A 76 8.871 10.156 -2.708 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.870 9.738 -2.086 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.822 11.280 -3.249 1.00 0.00 O ATOM 0 H ASP A 76 5.997 7.892 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 76 8.817 7.994 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.902 9.736 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.219 9.123 -1.822 1.00 0.00 H new ATOM 1207 N ASN A 77 7.483 6.217 -1.713 1.00 0.00 N ATOM 1208 CA ASN A 77 7.776 5.276 -0.638 1.00 0.00 C ATOM 1209 C ASN A 77 8.747 4.198 -1.108 1.00 0.00 C ATOM 1210 O ASN A 77 9.580 3.720 -0.338 1.00 0.00 O ATOM 1211 CB ASN A 77 6.484 4.631 -0.132 1.00 0.00 C ATOM 1212 CG ASN A 77 5.803 5.461 0.938 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.439 6.276 1.606 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.501 5.258 1.105 1.00 0.00 N ATOM 0 H ASN A 77 6.498 6.268 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 77 8.243 5.828 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.800 4.490 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.707 3.642 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.988 5.788 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.014 4.572 0.529 1.00 0.00 H new ATOM 1221 N ARG A 78 8.633 3.819 -2.377 1.00 0.00 N ATOM 1222 CA ARG A 78 9.500 2.797 -2.950 1.00 0.00 C ATOM 1223 C ARG A 78 10.953 3.262 -2.966 1.00 0.00 C ATOM 1224 O ARG A 78 11.873 2.465 -2.784 1.00 0.00 O ATOM 1225 CB ARG A 78 9.048 2.453 -4.371 1.00 0.00 C ATOM 1226 CG ARG A 78 7.883 1.477 -4.420 1.00 0.00 C ATOM 1227 CD ARG A 78 7.568 1.058 -5.847 1.00 0.00 C ATOM 1228 NE ARG A 78 8.710 0.418 -6.495 1.00 0.00 N ATOM 1229 CZ ARG A 78 9.678 1.089 -7.107 1.00 0.00 C ATOM 1230 NH1 ARG A 78 9.644 2.414 -7.155 1.00 0.00 N ATOM 1231 NH2 ARG A 78 10.685 0.436 -7.673 1.00 0.00 N ATOM 0 H ARG A 78 7.949 4.205 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 78 9.429 1.905 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.764 3.371 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.890 2.029 -4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.120 0.595 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.002 1.937 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.721 0.372 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.268 1.933 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 78 8.767 -0.600 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.872 2.920 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.389 2.927 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.716 -0.583 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.428 0.953 -8.143 1.00 0.00 H new ATOM 1245 N ALA A 79 11.151 4.558 -3.185 1.00 0.00 N ATOM 1246 CA ALA A 79 12.492 5.130 -3.223 1.00 0.00 C ATOM 1247 C ALA A 79 13.145 5.089 -1.846 1.00 0.00 C ATOM 1248 O ALA A 79 14.279 4.634 -1.700 1.00 0.00 O ATOM 1249 CB ALA A 79 12.441 6.559 -3.744 1.00 0.00 C ATOM 0 H ALA A 79 10.400 5.231 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 79 13.098 4.529 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.449 6.974 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.023 6.565 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.815 7.163 -3.088 1.00 0.00 H new ATOM 1255 N ALA A 80 12.423 5.569 -0.839 1.00 0.00 N ATOM 1256 CA ALA A 80 12.932 5.586 0.527 1.00 0.00 C ATOM 1257 C ALA A 80 13.717 4.315 0.836 1.00 0.00 C ATOM 1258 O ALA A 80 14.777 4.364 1.460 1.00 0.00 O ATOM 1259 CB ALA A 80 11.788 5.755 1.515 1.00 0.00 C ATOM 0 H ALA A 80 11.483 5.952 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 80 13.610 6.434 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.183 5.766 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.272 6.694 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.088 4.926 1.407 1.00 0.00 H new