USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 15 SER OG : rot 170:sc= 1.25 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.14 (180deg=-0.599) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.396 X(o=0.4,f=-0.0089) USER MOD Single : A 24 SER OG : rot -94:sc= -2.57 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.99! C(o=-3!,f=-6.7!) USER MOD Single : A 38 LYS NZ :NH3+ -98:sc= -1.02 (180deg=-2.62!) USER MOD Single : A 40 THR OG1 : rot 119:sc= 0.0296 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 130:sc= 0.454 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 62 SER OG : rot 33:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.53! C(o=-2.5!,f=-1.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 175:sc= -2.59! USER MOD Single : A 74 ASN : amide:sc= -1.05 K(o=-1,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.009 X(o=-0.009,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.667 16.116 4.541 1.00 0.00 N ATOM 163 CA SER A 15 -1.189 14.910 5.206 1.00 0.00 C ATOM 164 C SER A 15 -0.459 14.000 4.222 1.00 0.00 C ATOM 165 O SER A 15 -1.055 13.482 3.277 1.00 0.00 O ATOM 166 CB SER A 15 -2.358 14.157 5.844 1.00 0.00 C ATOM 167 OG SER A 15 -1.905 13.285 6.866 1.00 0.00 O ATOM 0 HA SER A 15 -0.489 15.208 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.071 14.870 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.886 13.585 5.081 1.00 0.00 H new ATOM 0 HG SER A 15 -2.674 12.936 7.363 1.00 0.00 H new ATOM 173 N LYS A 16 0.835 13.808 4.451 1.00 0.00 N ATOM 174 CA LYS A 16 1.649 12.961 3.588 1.00 0.00 C ATOM 175 C LYS A 16 1.553 11.499 4.014 1.00 0.00 C ATOM 176 O LYS A 16 1.906 10.595 3.255 1.00 0.00 O ATOM 177 CB LYS A 16 3.109 13.417 3.619 1.00 0.00 C ATOM 178 CG LYS A 16 3.889 12.880 4.806 1.00 0.00 C ATOM 179 CD LYS A 16 5.328 13.367 4.794 1.00 0.00 C ATOM 180 CE LYS A 16 5.430 14.816 5.246 1.00 0.00 C ATOM 181 NZ LYS A 16 4.919 15.002 6.633 1.00 0.00 N ATOM 0 H LYS A 16 1.344 14.228 5.229 1.00 0.00 H new ATOM 0 HA LYS A 16 1.269 13.051 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.600 13.099 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.140 14.506 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.406 13.193 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.873 11.790 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.932 12.738 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.738 13.269 3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.470 15.140 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.865 15.450 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.353 15.849 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.886 15.118 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.161 14.169 7.207 1.00 0.00 H new ATOM 195 N THR A 17 1.071 11.273 5.232 1.00 0.00 N ATOM 196 CA THR A 17 0.929 9.921 5.759 1.00 0.00 C ATOM 197 C THR A 17 -0.434 9.336 5.408 1.00 0.00 C ATOM 198 O THR A 17 -1.467 9.978 5.603 1.00 0.00 O ATOM 199 CB THR A 17 1.109 9.893 7.289 1.00 0.00 C ATOM 200 OG1 THR A 17 2.427 10.331 7.635 1.00 0.00 O ATOM 201 CG2 THR A 17 0.875 8.492 7.835 1.00 0.00 C ATOM 0 H THR A 17 0.772 12.009 5.872 1.00 0.00 H new ATOM 0 HA THR A 17 1.711 9.317 5.298 1.00 0.00 H new ATOM 0 HB THR A 17 0.375 10.566 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.533 10.312 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.007 8.496 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.139 8.173 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.589 7.802 7.385 1.00 0.00 H new ATOM 209 N LEU A 18 -0.431 8.112 4.890 1.00 0.00 N ATOM 210 CA LEU A 18 -1.669 7.439 4.512 1.00 0.00 C ATOM 211 C LEU A 18 -1.975 6.288 5.465 1.00 0.00 C ATOM 212 O LEU A 18 -1.067 5.627 5.969 1.00 0.00 O ATOM 213 CB LEU A 18 -1.571 6.916 3.078 1.00 0.00 C ATOM 214 CG LEU A 18 -1.025 7.899 2.041 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.852 7.214 0.695 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.944 9.105 1.914 1.00 0.00 C ATOM 0 H LEU A 18 0.414 7.566 4.722 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.481 8.163 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.937 6.030 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.564 6.597 2.760 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.048 8.246 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.463 7.929 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.153 6.383 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.816 6.838 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.540 9.794 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.935 8.776 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.016 9.611 2.877 1.00 0.00 H new ATOM 228 N VAL A 19 -3.261 6.051 5.706 1.00 0.00 N ATOM 229 CA VAL A 19 -3.687 4.978 6.595 1.00 0.00 C ATOM 230 C VAL A 19 -4.390 3.869 5.820 1.00 0.00 C ATOM 231 O VAL A 19 -5.428 4.094 5.195 1.00 0.00 O ATOM 232 CB VAL A 19 -4.633 5.500 7.693 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.832 4.447 8.773 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.093 6.792 8.289 1.00 0.00 C ATOM 0 H VAL A 19 -4.026 6.588 5.297 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.787 4.578 7.061 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.603 5.711 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.503 4.834 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.265 3.550 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.870 4.201 9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.773 7.148 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.111 6.609 8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.008 7.546 7.506 1.00 0.00 H new ATOM 244 N LEU A 20 -3.820 2.670 5.866 1.00 0.00 N ATOM 245 CA LEU A 20 -4.392 1.524 5.168 1.00 0.00 C ATOM 246 C LEU A 20 -5.402 0.798 6.051 1.00 0.00 C ATOM 247 O LEU A 20 -5.230 0.712 7.267 1.00 0.00 O ATOM 248 CB LEU A 20 -3.286 0.558 4.739 1.00 0.00 C ATOM 249 CG LEU A 20 -3.649 -0.429 3.630 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.414 -0.808 2.827 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.309 -1.669 4.215 1.00 0.00 C ATOM 0 H LEU A 20 -2.962 2.466 6.379 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.909 1.891 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.428 1.144 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.968 -0.010 5.613 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.359 0.053 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.692 -1.511 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.984 0.087 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.680 -1.271 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.561 -2.361 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.622 -2.154 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.218 -1.382 4.745 1.00 0.00 H new ATOM 263 N SER A 21 -6.455 0.275 5.430 1.00 0.00 N ATOM 264 CA SER A 21 -7.494 -0.443 6.159 1.00 0.00 C ATOM 265 C SER A 21 -7.846 -1.750 5.457 1.00 0.00 C ATOM 266 O SER A 21 -7.857 -1.824 4.229 1.00 0.00 O ATOM 267 CB SER A 21 -8.744 0.428 6.297 1.00 0.00 C ATOM 268 OG SER A 21 -8.564 1.426 7.288 1.00 0.00 O ATOM 0 H SER A 21 -6.611 0.335 4.424 1.00 0.00 H new ATOM 0 HA SER A 21 -7.111 -0.677 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.971 0.898 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.599 -0.196 6.556 1.00 0.00 H new ATOM 0 HG SER A 21 -9.376 1.970 7.356 1.00 0.00 H new ATOM 274 N ASN A 22 -8.134 -2.780 6.246 1.00 0.00 N ATOM 275 CA ASN A 22 -8.486 -4.086 5.701 1.00 0.00 C ATOM 276 C ASN A 22 -7.255 -4.792 5.141 1.00 0.00 C ATOM 277 O ASN A 22 -7.327 -5.468 4.114 1.00 0.00 O ATOM 278 CB ASN A 22 -9.544 -3.936 4.606 1.00 0.00 C ATOM 279 CG ASN A 22 -10.410 -5.173 4.466 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.260 -5.448 5.314 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.199 -5.926 3.393 1.00 0.00 N ATOM 0 H ASN A 22 -8.131 -2.735 7.265 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.893 -4.692 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.176 -3.077 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.052 -3.730 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.752 -6.770 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.484 -5.660 2.716 1.00 0.00 H new ATOM 288 N LEU A 23 -6.126 -4.631 5.823 1.00 0.00 N ATOM 289 CA LEU A 23 -4.878 -5.253 5.395 1.00 0.00 C ATOM 290 C LEU A 23 -4.879 -6.746 5.707 1.00 0.00 C ATOM 291 O LEU A 23 -5.326 -7.168 6.774 1.00 0.00 O ATOM 292 CB LEU A 23 -3.688 -4.579 6.079 1.00 0.00 C ATOM 293 CG LEU A 23 -2.369 -4.599 5.306 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.257 -3.970 6.131 1.00 0.00 C ATOM 295 CD2 LEU A 23 -2.004 -6.023 4.912 1.00 0.00 C ATOM 0 H LEU A 23 -6.049 -4.075 6.675 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.789 -5.126 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.951 -3.541 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.528 -5.061 7.043 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.494 -4.012 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.326 -3.993 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.515 -2.937 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.131 -4.529 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.063 -6.019 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.898 -6.633 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.790 -6.439 4.282 1.00 0.00 H new ATOM 307 N SER A 24 -4.374 -7.542 4.769 1.00 0.00 N ATOM 308 CA SER A 24 -4.318 -8.988 4.943 1.00 0.00 C ATOM 309 C SER A 24 -3.097 -9.390 5.765 1.00 0.00 C ATOM 310 O SER A 24 -2.000 -8.871 5.561 1.00 0.00 O ATOM 311 CB SER A 24 -4.283 -9.686 3.582 1.00 0.00 C ATOM 312 OG SER A 24 -3.216 -9.198 2.787 1.00 0.00 O ATOM 0 H SER A 24 -3.998 -7.209 3.881 1.00 0.00 H new ATOM 0 HA SER A 24 -5.214 -9.299 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.173 -10.761 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.229 -9.528 3.064 1.00 0.00 H new ATOM 0 HG SER A 24 -3.542 -8.478 2.208 1.00 0.00 H new ATOM 318 N TYR A 25 -3.297 -10.317 6.695 1.00 0.00 N ATOM 319 CA TYR A 25 -2.215 -10.788 7.551 1.00 0.00 C ATOM 320 C TYR A 25 -1.062 -11.340 6.717 1.00 0.00 C ATOM 321 O TYR A 25 0.102 -11.241 7.104 1.00 0.00 O ATOM 322 CB TYR A 25 -2.726 -11.863 8.510 1.00 0.00 C ATOM 323 CG TYR A 25 -4.166 -11.669 8.926 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.516 -10.698 9.857 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.177 -12.456 8.390 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.831 -10.517 10.241 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.495 -12.281 8.766 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.816 -11.311 9.692 1.00 0.00 C ATOM 329 OH TYR A 25 -8.127 -11.134 10.071 1.00 0.00 O ATOM 0 H TYR A 25 -4.199 -10.757 6.875 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.848 -9.940 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.622 -12.839 8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.098 -11.872 9.401 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.747 -10.074 10.288 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.929 -13.218 7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.086 -9.759 10.966 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.269 -12.900 8.337 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.695 -11.772 9.591 1.00 0.00 H new ATOM 339 N SER A 26 -1.396 -11.921 5.569 1.00 0.00 N ATOM 340 CA SER A 26 -0.391 -12.492 4.681 1.00 0.00 C ATOM 341 C SER A 26 0.430 -11.394 4.012 1.00 0.00 C ATOM 342 O SER A 26 1.517 -11.646 3.493 1.00 0.00 O ATOM 343 CB SER A 26 -1.058 -13.366 3.616 1.00 0.00 C ATOM 344 OG SER A 26 -1.533 -14.578 4.175 1.00 0.00 O ATOM 0 H SER A 26 -2.355 -12.008 5.232 1.00 0.00 H new ATOM 0 HA SER A 26 0.279 -13.109 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.886 -12.822 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.345 -13.584 2.821 1.00 0.00 H new ATOM 0 HG SER A 26 -1.956 -15.117 3.475 1.00 0.00 H new ATOM 350 N ALA A 27 -0.098 -10.175 4.030 1.00 0.00 N ATOM 351 CA ALA A 27 0.585 -9.037 3.428 1.00 0.00 C ATOM 352 C ALA A 27 1.555 -8.395 4.414 1.00 0.00 C ATOM 353 O ALA A 27 1.241 -8.233 5.594 1.00 0.00 O ATOM 354 CB ALA A 27 -0.427 -8.013 2.936 1.00 0.00 C ATOM 0 H ALA A 27 -0.997 -9.950 4.455 1.00 0.00 H new ATOM 0 HA ALA A 27 1.161 -9.399 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.098 -7.169 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.077 -8.472 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.028 -7.663 3.775 1.00 0.00 H new ATOM 360 N THR A 28 2.736 -8.029 3.924 1.00 0.00 N ATOM 361 CA THR A 28 3.752 -7.406 4.762 1.00 0.00 C ATOM 362 C THR A 28 4.421 -6.242 4.042 1.00 0.00 C ATOM 363 O THR A 28 4.229 -6.050 2.841 1.00 0.00 O ATOM 364 CB THR A 28 4.830 -8.421 5.186 1.00 0.00 C ATOM 365 OG1 THR A 28 5.699 -8.702 4.082 1.00 0.00 O ATOM 366 CG2 THR A 28 4.195 -9.712 5.679 1.00 0.00 C ATOM 0 H THR A 28 3.012 -8.154 2.950 1.00 0.00 H new ATOM 0 HA THR A 28 3.243 -7.035 5.652 1.00 0.00 H new ATOM 0 HB THR A 28 5.407 -7.985 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.383 -9.347 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.976 -10.413 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.557 -9.499 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.596 -10.150 4.881 1.00 0.00 H new ATOM 374 N GLU A 29 5.207 -5.466 4.782 1.00 0.00 N ATOM 375 CA GLU A 29 5.904 -4.320 4.212 1.00 0.00 C ATOM 376 C GLU A 29 6.421 -4.639 2.812 1.00 0.00 C ATOM 377 O GLU A 29 6.493 -3.762 1.951 1.00 0.00 O ATOM 378 CB GLU A 29 7.068 -3.902 5.113 1.00 0.00 C ATOM 379 CG GLU A 29 6.677 -2.898 6.185 1.00 0.00 C ATOM 380 CD GLU A 29 7.523 -3.022 7.437 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.698 -2.602 7.403 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.010 -3.541 8.451 1.00 0.00 O ATOM 0 H GLU A 29 5.377 -5.611 5.777 1.00 0.00 H new ATOM 0 HA GLU A 29 5.195 -3.495 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.483 -4.789 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.858 -3.474 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.773 -1.889 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.628 -3.039 6.445 1.00 0.00 H new ATOM 389 N GLU A 30 6.779 -5.900 2.592 1.00 0.00 N ATOM 390 CA GLU A 30 7.291 -6.334 1.298 1.00 0.00 C ATOM 391 C GLU A 30 6.229 -6.176 0.213 1.00 0.00 C ATOM 392 O GLU A 30 6.501 -5.648 -0.866 1.00 0.00 O ATOM 393 CB GLU A 30 7.750 -7.792 1.368 1.00 0.00 C ATOM 394 CG GLU A 30 9.209 -7.952 1.759 1.00 0.00 C ATOM 395 CD GLU A 30 10.154 -7.700 0.599 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.848 -6.822 -0.235 1.00 0.00 O ATOM 397 OE2 GLU A 30 11.199 -8.380 0.526 1.00 0.00 O ATOM 0 H GLU A 30 6.724 -6.639 3.293 1.00 0.00 H new ATOM 0 HA GLU A 30 8.144 -5.704 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.129 -8.326 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.589 -8.262 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.442 -7.261 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.370 -8.960 2.142 1.00 0.00 H new ATOM 404 N THR A 31 5.018 -6.638 0.506 1.00 0.00 N ATOM 405 CA THR A 31 3.915 -6.550 -0.443 1.00 0.00 C ATOM 406 C THR A 31 3.461 -5.106 -0.625 1.00 0.00 C ATOM 407 O THR A 31 3.113 -4.689 -1.731 1.00 0.00 O ATOM 408 CB THR A 31 2.714 -7.401 0.010 1.00 0.00 C ATOM 409 OG1 THR A 31 3.121 -8.762 0.196 1.00 0.00 O ATOM 410 CG2 THR A 31 1.590 -7.339 -1.013 1.00 0.00 C ATOM 0 H THR A 31 4.776 -7.077 1.394 1.00 0.00 H new ATOM 0 HA THR A 31 4.284 -6.935 -1.394 1.00 0.00 H new ATOM 0 HB THR A 31 2.347 -6.999 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.352 -9.297 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.753 -7.948 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.263 -6.306 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.948 -7.719 -1.970 1.00 0.00 H new ATOM 418 N LEU A 32 3.465 -4.348 0.465 1.00 0.00 N ATOM 419 CA LEU A 32 3.053 -2.949 0.425 1.00 0.00 C ATOM 420 C LEU A 32 4.044 -2.112 -0.378 1.00 0.00 C ATOM 421 O LEU A 32 3.649 -1.294 -1.208 1.00 0.00 O ATOM 422 CB LEU A 32 2.932 -2.392 1.845 1.00 0.00 C ATOM 423 CG LEU A 32 2.002 -3.157 2.788 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.027 -2.539 4.178 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.584 -3.178 2.237 1.00 0.00 C ATOM 0 H LEU A 32 3.749 -4.678 1.388 1.00 0.00 H new ATOM 0 HA LEU A 32 2.080 -2.896 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.927 -2.366 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.584 -1.361 1.781 1.00 0.00 H new ATOM 0 HG LEU A 32 2.356 -4.185 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.360 -3.096 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.042 -2.576 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.698 -1.502 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.064 -3.726 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.219 -2.156 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.579 -3.666 1.263 1.00 0.00 H new ATOM 437 N GLN A 33 5.332 -2.325 -0.125 1.00 0.00 N ATOM 438 CA GLN A 33 6.378 -1.591 -0.827 1.00 0.00 C ATOM 439 C GLN A 33 6.205 -1.706 -2.337 1.00 0.00 C ATOM 440 O GLN A 33 6.687 -0.862 -3.092 1.00 0.00 O ATOM 441 CB GLN A 33 7.757 -2.112 -0.418 1.00 0.00 C ATOM 442 CG GLN A 33 8.235 -1.581 0.924 1.00 0.00 C ATOM 443 CD GLN A 33 8.449 -0.080 0.915 1.00 0.00 C ATOM 444 OE1 GLN A 33 8.025 0.625 1.831 1.00 0.00 O ATOM 445 NE2 GLN A 33 9.111 0.417 -0.123 1.00 0.00 N ATOM 0 H GLN A 33 5.675 -2.999 0.560 1.00 0.00 H new ATOM 0 HA GLN A 33 6.297 -0.540 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.728 -3.201 -0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.481 -1.840 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.505 -1.835 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.168 -2.076 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.445 -0.204 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.286 1.420 -0.183 1.00 0.00 H new ATOM 454 N GLU A 34 5.515 -2.756 -2.771 1.00 0.00 N ATOM 455 CA GLU A 34 5.280 -2.981 -4.192 1.00 0.00 C ATOM 456 C GLU A 34 4.177 -2.065 -4.713 1.00 0.00 C ATOM 457 O GLU A 34 4.299 -1.476 -5.787 1.00 0.00 O ATOM 458 CB GLU A 34 4.905 -4.443 -4.444 1.00 0.00 C ATOM 459 CG GLU A 34 6.007 -5.425 -4.082 1.00 0.00 C ATOM 460 CD GLU A 34 5.818 -6.781 -4.734 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.456 -6.819 -5.929 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.034 -7.803 -4.050 1.00 0.00 O ATOM 0 H GLU A 34 5.109 -3.464 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 34 6.202 -2.752 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.011 -4.684 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.650 -4.568 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.970 -5.012 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.038 -5.548 -2.999 1.00 0.00 H new ATOM 469 N VAL A 35 3.098 -1.951 -3.944 1.00 0.00 N ATOM 470 CA VAL A 35 1.973 -1.106 -4.327 1.00 0.00 C ATOM 471 C VAL A 35 2.342 0.371 -4.247 1.00 0.00 C ATOM 472 O VAL A 35 2.003 1.156 -5.133 1.00 0.00 O ATOM 473 CB VAL A 35 0.746 -1.367 -3.433 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.445 -0.548 -3.907 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.409 -2.850 -3.411 1.00 0.00 C ATOM 0 H VAL A 35 2.980 -2.433 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 35 1.723 -1.359 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 35 0.987 -1.057 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.302 -0.746 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.197 0.513 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.691 -0.823 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.460 -3.016 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.188 -3.188 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.258 -3.410 -3.019 1.00 0.00 H new ATOM 485 N PHE A 36 3.039 0.744 -3.179 1.00 0.00 N ATOM 486 CA PHE A 36 3.454 2.128 -2.982 1.00 0.00 C ATOM 487 C PHE A 36 4.948 2.290 -3.244 1.00 0.00 C ATOM 488 O PHE A 36 5.778 1.943 -2.404 1.00 0.00 O ATOM 489 CB PHE A 36 3.122 2.584 -1.559 1.00 0.00 C ATOM 490 CG PHE A 36 1.678 2.399 -1.192 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.732 3.349 -1.544 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.265 1.275 -0.495 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.597 3.181 -1.207 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.063 1.101 -0.155 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.996 2.055 -0.512 1.00 0.00 C ATOM 0 H PHE A 36 3.328 0.107 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 36 2.909 2.750 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.742 2.029 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.384 3.637 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.037 4.231 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.990 0.526 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.324 3.929 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.371 0.220 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.035 1.921 -0.249 1.00 0.00 H new ATOM 505 N GLU A 37 5.283 2.819 -4.417 1.00 0.00 N ATOM 506 CA GLU A 37 6.677 3.025 -4.791 1.00 0.00 C ATOM 507 C GLU A 37 7.165 4.397 -4.335 1.00 0.00 C ATOM 508 O GLU A 37 8.362 4.611 -4.141 1.00 0.00 O ATOM 509 CB GLU A 37 6.848 2.888 -6.306 1.00 0.00 C ATOM 510 CG GLU A 37 6.623 1.476 -6.818 1.00 0.00 C ATOM 511 CD GLU A 37 7.865 0.612 -6.710 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.784 0.787 -7.536 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.916 -0.240 -5.798 1.00 0.00 O ATOM 0 H GLU A 37 4.609 3.112 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 37 7.276 2.262 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.151 3.562 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.853 3.209 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.813 1.014 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.303 1.518 -7.859 1.00 0.00 H new ATOM 520 N LYS A 38 6.230 5.325 -4.166 1.00 0.00 N ATOM 521 CA LYS A 38 6.562 6.677 -3.733 1.00 0.00 C ATOM 522 C LYS A 38 6.657 6.753 -2.212 1.00 0.00 C ATOM 523 O LYS A 38 7.276 7.665 -1.665 1.00 0.00 O ATOM 524 CB LYS A 38 5.512 7.669 -4.239 1.00 0.00 C ATOM 525 CG LYS A 38 4.989 7.346 -5.627 1.00 0.00 C ATOM 526 CD LYS A 38 6.093 7.409 -6.669 1.00 0.00 C ATOM 527 CE LYS A 38 6.561 8.838 -6.899 1.00 0.00 C ATOM 528 NZ LYS A 38 7.621 9.237 -5.931 1.00 0.00 N ATOM 0 H LYS A 38 5.235 5.165 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 38 7.533 6.939 -4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.676 7.688 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.944 8.670 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.545 6.351 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.198 8.048 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.935 6.797 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.734 6.987 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.942 8.936 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.713 9.517 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.194 9.775 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.084 8.386 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.327 9.829 -6.414 1.00 0.00 H new ATOM 542 N ALA A 39 6.040 5.789 -1.537 1.00 0.00 N ATOM 543 CA ALA A 39 6.059 5.745 -0.080 1.00 0.00 C ATOM 544 C ALA A 39 7.488 5.699 0.450 1.00 0.00 C ATOM 545 O ALA A 39 8.207 4.720 0.244 1.00 0.00 O ATOM 546 CB ALA A 39 5.269 4.546 0.422 1.00 0.00 C ATOM 0 H ALA A 39 5.521 5.028 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 39 5.591 6.656 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.292 4.526 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.236 4.622 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.712 3.629 0.033 1.00 0.00 H new ATOM 552 N THR A 40 7.896 6.763 1.134 1.00 0.00 N ATOM 553 CA THR A 40 9.240 6.845 1.691 1.00 0.00 C ATOM 554 C THR A 40 9.428 5.840 2.822 1.00 0.00 C ATOM 555 O THR A 40 10.555 5.531 3.210 1.00 0.00 O ATOM 556 CB THR A 40 9.544 8.259 2.220 1.00 0.00 C ATOM 557 OG1 THR A 40 8.677 8.569 3.316 1.00 0.00 O ATOM 558 CG2 THR A 40 9.372 9.297 1.121 1.00 0.00 C ATOM 0 H THR A 40 7.314 7.581 1.316 1.00 0.00 H new ATOM 0 HA THR A 40 9.932 6.612 0.882 1.00 0.00 H new ATOM 0 HB THR A 40 10.580 8.281 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.213 8.739 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.592 10.288 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.055 9.075 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.346 9.273 0.755 1.00 0.00 H new ATOM 566 N PHE A 41 8.318 5.333 3.347 1.00 0.00 N ATOM 567 CA PHE A 41 8.360 4.363 4.435 1.00 0.00 C ATOM 568 C PHE A 41 7.009 3.675 4.604 1.00 0.00 C ATOM 569 O PHE A 41 5.960 4.287 4.399 1.00 0.00 O ATOM 570 CB PHE A 41 8.764 5.048 5.742 1.00 0.00 C ATOM 571 CG PHE A 41 9.276 4.096 6.785 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.606 3.709 6.795 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.427 3.588 7.755 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.079 2.832 7.753 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.895 2.711 8.716 1.00 0.00 C ATOM 576 CZ PHE A 41 10.223 2.334 8.715 1.00 0.00 C ATOM 0 H PHE A 41 7.378 5.578 3.037 1.00 0.00 H new ATOM 0 HA PHE A 41 9.104 3.606 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.533 5.791 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.904 5.585 6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.281 4.097 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.387 3.881 7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.118 2.536 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.223 2.322 9.466 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.592 1.651 9.466 1.00 0.00 H new ATOM 586 N ILE A 42 7.043 2.401 4.978 1.00 0.00 N ATOM 587 CA ILE A 42 5.821 1.630 5.175 1.00 0.00 C ATOM 588 C ILE A 42 5.845 0.893 6.510 1.00 0.00 C ATOM 589 O ILE A 42 6.855 0.298 6.885 1.00 0.00 O ATOM 590 CB ILE A 42 5.611 0.609 4.041 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.280 1.329 2.732 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.505 -0.369 4.408 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.121 0.395 1.553 1.00 0.00 C ATOM 0 H ILE A 42 7.903 1.880 5.151 1.00 0.00 H new ATOM 0 HA ILE A 42 4.995 2.341 5.170 1.00 0.00 H new ATOM 0 HB ILE A 42 6.535 0.047 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.359 1.897 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.070 2.048 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.368 -1.084 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.778 -0.901 5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.576 0.177 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.887 0.974 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.049 -0.155 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.312 -0.308 1.752 1.00 0.00 H new ATOM 605 N LYS A 43 4.725 0.936 7.223 1.00 0.00 N ATOM 606 CA LYS A 43 4.615 0.270 8.515 1.00 0.00 C ATOM 607 C LYS A 43 3.389 -0.638 8.557 1.00 0.00 C ATOM 608 O LYS A 43 2.310 -0.262 8.100 1.00 0.00 O ATOM 609 CB LYS A 43 4.534 1.304 9.640 1.00 0.00 C ATOM 610 CG LYS A 43 4.900 0.748 11.005 1.00 0.00 C ATOM 611 CD LYS A 43 6.404 0.759 11.227 1.00 0.00 C ATOM 612 CE LYS A 43 6.780 0.073 12.531 1.00 0.00 C ATOM 613 NZ LYS A 43 6.791 1.025 13.676 1.00 0.00 N ATOM 0 H LYS A 43 3.880 1.425 6.928 1.00 0.00 H new ATOM 0 HA LYS A 43 5.505 -0.343 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.198 2.136 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.522 1.706 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.412 1.337 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.525 -0.272 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.899 0.258 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.764 1.788 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.074 -0.732 12.735 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.764 -0.385 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.052 0.519 14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.483 1.779 13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.845 1.443 13.789 1.00 0.00 H new ATOM 627 N VAL A 44 3.564 -1.835 9.108 1.00 0.00 N ATOM 628 CA VAL A 44 2.471 -2.795 9.212 1.00 0.00 C ATOM 629 C VAL A 44 2.418 -3.420 10.601 1.00 0.00 C ATOM 630 O VAL A 44 3.150 -4.358 10.916 1.00 0.00 O ATOM 631 CB VAL A 44 2.607 -3.915 8.163 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.031 -4.449 8.133 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.615 -5.033 8.446 1.00 0.00 C ATOM 0 H VAL A 44 4.451 -2.163 9.489 1.00 0.00 H new ATOM 0 HA VAL A 44 1.548 -2.245 9.029 1.00 0.00 H new ATOM 0 HB VAL A 44 2.380 -3.499 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.108 -5.239 7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.717 -3.641 7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.290 -4.850 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.725 -5.816 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.808 -5.449 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.600 -4.637 8.411 1.00 0.00 H new ATOM 643 N PRO A 45 1.531 -2.888 11.455 1.00 0.00 N ATOM 644 CA PRO A 45 1.360 -3.378 12.826 1.00 0.00 C ATOM 645 C PRO A 45 0.722 -4.762 12.872 1.00 0.00 C ATOM 646 O PRO A 45 -0.394 -4.956 12.390 1.00 0.00 O ATOM 647 CB PRO A 45 0.431 -2.340 13.461 1.00 0.00 C ATOM 648 CG PRO A 45 -0.321 -1.755 12.316 1.00 0.00 C ATOM 649 CD PRO A 45 0.626 -1.768 11.148 1.00 0.00 C ATOM 0 HA PRO A 45 2.314 -3.488 13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.243 -2.801 14.183 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.997 -1.576 13.995 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.216 -2.338 12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.648 -0.740 12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.100 -1.923 10.206 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.168 -0.826 11.059 1.00 0.00 H new ATOM 657 N GLN A 46 1.437 -5.720 13.452 1.00 0.00 N ATOM 658 CA GLN A 46 0.939 -7.086 13.560 1.00 0.00 C ATOM 659 C GLN A 46 0.986 -7.571 15.005 1.00 0.00 C ATOM 660 O GLN A 46 1.755 -7.059 15.817 1.00 0.00 O ATOM 661 CB GLN A 46 1.759 -8.022 12.669 1.00 0.00 C ATOM 662 CG GLN A 46 3.195 -7.567 12.468 1.00 0.00 C ATOM 663 CD GLN A 46 4.027 -8.581 11.708 1.00 0.00 C ATOM 664 OE1 GLN A 46 4.676 -9.441 12.304 1.00 0.00 O ATOM 665 NE2 GLN A 46 4.014 -8.484 10.383 1.00 0.00 N ATOM 0 H GLN A 46 2.363 -5.576 13.854 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.099 -7.094 13.227 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.761 -9.019 13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.273 -8.103 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.200 -6.620 11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.653 -7.382 13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.462 -7.756 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.556 -9.138 9.818 1.00 0.00 H new ATOM 726 N LYS A 51 0.243 -11.500 12.816 1.00 0.00 N ATOM 727 CA LYS A 51 -0.918 -11.191 11.990 1.00 0.00 C ATOM 728 C LYS A 51 -1.271 -9.710 12.080 1.00 0.00 C ATOM 729 O LYS A 51 -1.518 -9.186 13.167 1.00 0.00 O ATOM 730 CB LYS A 51 -2.117 -12.039 12.421 1.00 0.00 C ATOM 731 CG LYS A 51 -2.134 -13.427 11.803 1.00 0.00 C ATOM 732 CD LYS A 51 -3.454 -14.134 12.057 1.00 0.00 C ATOM 733 CE LYS A 51 -3.596 -15.378 11.193 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.837 -16.136 11.511 1.00 0.00 N ATOM 0 HA LYS A 51 -0.669 -11.425 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.113 -12.134 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.036 -11.519 12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.962 -13.350 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.317 -14.020 12.215 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.523 -14.411 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.279 -13.451 11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.606 -15.091 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.729 -16.023 11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.897 -16.976 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.817 -16.433 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.666 -15.530 11.347 1.00 0.00 H new ATOM 748 N SER A 52 -1.295 -9.041 10.932 1.00 0.00 N ATOM 749 CA SER A 52 -1.617 -7.619 10.882 1.00 0.00 C ATOM 750 C SER A 52 -2.925 -7.332 11.612 1.00 0.00 C ATOM 751 O SER A 52 -3.880 -8.105 11.527 1.00 0.00 O ATOM 752 CB SER A 52 -1.715 -7.148 9.430 1.00 0.00 C ATOM 753 OG SER A 52 -2.641 -6.083 9.301 1.00 0.00 O ATOM 0 H SER A 52 -1.095 -9.460 10.024 1.00 0.00 H new ATOM 0 HA SER A 52 -0.816 -7.072 11.380 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.734 -6.825 9.082 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.021 -7.979 8.795 1.00 0.00 H new ATOM 0 HG SER A 52 -2.226 -5.347 8.805 1.00 0.00 H new ATOM 759 N LYS A 53 -2.962 -6.214 12.330 1.00 0.00 N ATOM 760 CA LYS A 53 -4.152 -5.822 13.075 1.00 0.00 C ATOM 761 C LYS A 53 -5.303 -5.495 12.129 1.00 0.00 C ATOM 762 O LYS A 53 -6.466 -5.483 12.531 1.00 0.00 O ATOM 763 CB LYS A 53 -3.848 -4.612 13.961 1.00 0.00 C ATOM 764 CG LYS A 53 -2.415 -4.570 14.462 1.00 0.00 C ATOM 765 CD LYS A 53 -2.320 -3.912 15.828 1.00 0.00 C ATOM 766 CE LYS A 53 -2.446 -4.933 16.949 1.00 0.00 C ATOM 767 NZ LYS A 53 -3.064 -4.344 18.169 1.00 0.00 N ATOM 0 H LYS A 53 -2.181 -5.563 12.411 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.449 -6.661 13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.055 -3.700 13.400 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.523 -4.620 14.817 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.018 -5.584 14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.796 -4.024 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.367 -3.389 15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.105 -3.162 15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.048 -5.775 16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.459 -5.326 17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.132 -5.071 18.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.476 -3.557 18.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.016 -3.992 17.941 1.00 0.00 H new ATOM 781 N GLY A 54 -4.971 -5.232 10.868 1.00 0.00 N ATOM 782 CA GLY A 54 -5.988 -4.910 9.884 1.00 0.00 C ATOM 783 C GLY A 54 -5.766 -3.556 9.242 1.00 0.00 C ATOM 784 O GLY A 54 -6.533 -3.140 8.373 1.00 0.00 O ATOM 0 H GLY A 54 -4.016 -5.236 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.997 -5.678 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.968 -4.926 10.361 1.00 0.00 H new ATOM 788 N TYR A 55 -4.714 -2.866 9.669 1.00 0.00 N ATOM 789 CA TYR A 55 -4.395 -1.548 9.132 1.00 0.00 C ATOM 790 C TYR A 55 -2.886 -1.345 9.048 1.00 0.00 C ATOM 791 O TYR A 55 -2.110 -2.143 9.575 1.00 0.00 O ATOM 792 CB TYR A 55 -5.020 -0.455 10.001 1.00 0.00 C ATOM 793 CG TYR A 55 -4.817 -0.671 11.484 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.586 -1.593 12.183 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.857 0.048 12.186 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.404 -1.793 13.538 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.668 -0.146 13.540 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.444 -1.067 14.212 1.00 0.00 C ATOM 799 OH TYR A 55 -4.260 -1.263 15.562 1.00 0.00 O ATOM 0 H TYR A 55 -4.068 -3.197 10.385 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.809 -1.484 8.126 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.594 0.508 9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.089 -0.403 9.793 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.339 -2.163 11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.248 0.771 11.663 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.010 -2.514 14.067 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.917 0.420 14.070 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.545 -0.675 15.884 1.00 0.00 H new ATOM 809 N ALA A 56 -2.476 -0.271 8.380 1.00 0.00 N ATOM 810 CA ALA A 56 -1.060 0.039 8.228 1.00 0.00 C ATOM 811 C ALA A 56 -0.829 1.546 8.196 1.00 0.00 C ATOM 812 O ALA A 56 -1.777 2.331 8.233 1.00 0.00 O ATOM 813 CB ALA A 56 -0.511 -0.608 6.965 1.00 0.00 C ATOM 0 H ALA A 56 -3.105 0.398 7.936 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.530 -0.365 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.547 -0.368 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.634 -1.689 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.053 -0.231 6.098 1.00 0.00 H new ATOM 819 N PHE A 57 0.437 1.945 8.130 1.00 0.00 N ATOM 820 CA PHE A 57 0.793 3.359 8.095 1.00 0.00 C ATOM 821 C PHE A 57 1.815 3.635 6.997 1.00 0.00 C ATOM 822 O PHE A 57 2.987 3.277 7.121 1.00 0.00 O ATOM 823 CB PHE A 57 1.350 3.799 9.450 1.00 0.00 C ATOM 824 CG PHE A 57 0.328 3.791 10.550 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.685 4.736 10.581 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.380 2.837 11.554 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.627 4.730 11.592 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.559 2.826 12.568 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.564 3.775 12.587 1.00 0.00 C ATOM 0 H PHE A 57 1.234 1.309 8.100 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.109 3.931 7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.174 3.141 9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.762 4.804 9.355 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.739 5.486 9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.163 2.094 11.544 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.412 5.472 11.604 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.508 2.077 13.344 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.299 3.769 13.379 1.00 0.00 H new ATOM 839 N ILE A 58 1.363 4.274 5.923 1.00 0.00 N ATOM 840 CA ILE A 58 2.238 4.599 4.803 1.00 0.00 C ATOM 841 C ILE A 58 2.781 6.019 4.924 1.00 0.00 C ATOM 842 O ILE A 58 2.061 6.938 5.315 1.00 0.00 O ATOM 843 CB ILE A 58 1.506 4.454 3.456 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.519 3.286 3.511 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.508 4.256 2.328 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.158 1.973 3.905 1.00 0.00 C ATOM 0 H ILE A 58 0.396 4.577 5.805 1.00 0.00 H new ATOM 0 HA ILE A 58 3.067 3.892 4.834 1.00 0.00 H new ATOM 0 HB ILE A 58 0.946 5.369 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.273 3.523 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.048 3.173 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.976 4.155 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.175 5.116 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.092 3.354 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.400 1.190 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.931 1.713 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.605 2.068 4.895 1.00 0.00 H new ATOM 858 N GLU A 59 4.054 6.192 4.584 1.00 0.00 N ATOM 859 CA GLU A 59 4.693 7.501 4.654 1.00 0.00 C ATOM 860 C GLU A 59 5.183 7.941 3.278 1.00 0.00 C ATOM 861 O GLU A 59 5.662 7.127 2.487 1.00 0.00 O ATOM 862 CB GLU A 59 5.863 7.470 5.639 1.00 0.00 C ATOM 863 CG GLU A 59 6.164 8.820 6.269 1.00 0.00 C ATOM 864 CD GLU A 59 7.521 8.859 6.944 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.510 9.209 6.266 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.595 8.541 8.149 1.00 0.00 O ATOM 0 H GLU A 59 4.663 5.442 4.257 1.00 0.00 H new ATOM 0 HA GLU A 59 3.953 8.220 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.644 6.751 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.753 7.113 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.122 9.593 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.391 9.056 7.001 1.00 0.00 H new ATOM 873 N PHE A 60 5.059 9.234 2.998 1.00 0.00 N ATOM 874 CA PHE A 60 5.487 9.784 1.717 1.00 0.00 C ATOM 875 C PHE A 60 6.322 11.045 1.918 1.00 0.00 C ATOM 876 O PHE A 60 6.631 11.424 3.047 1.00 0.00 O ATOM 877 CB PHE A 60 4.273 10.096 0.840 1.00 0.00 C ATOM 878 CG PHE A 60 3.471 8.881 0.471 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.640 8.275 1.400 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.548 8.344 -0.804 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.900 7.157 1.064 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.810 7.226 -1.145 1.00 0.00 C ATOM 883 CZ PHE A 60 1.986 6.631 -0.210 1.00 0.00 C ATOM 0 H PHE A 60 4.665 9.921 3.641 1.00 0.00 H new ATOM 0 HA PHE A 60 6.104 9.037 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.628 10.802 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.611 10.589 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.570 8.681 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.192 8.804 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.255 6.695 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.878 6.818 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.410 5.756 -0.475 1.00 0.00 H new ATOM 893 N ALA A 61 6.682 11.691 0.813 1.00 0.00 N ATOM 894 CA ALA A 61 7.479 12.910 0.867 1.00 0.00 C ATOM 895 C ALA A 61 6.633 14.100 1.305 1.00 0.00 C ATOM 896 O ALA A 61 7.132 15.028 1.943 1.00 0.00 O ATOM 897 CB ALA A 61 8.118 13.184 -0.486 1.00 0.00 C ATOM 0 H ALA A 61 6.434 11.390 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 61 8.267 12.766 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.710 14.097 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.763 12.349 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.339 13.302 -1.239 1.00 0.00 H new ATOM 903 N SER A 62 5.350 14.068 0.959 1.00 0.00 N ATOM 904 CA SER A 62 4.435 15.147 1.312 1.00 0.00 C ATOM 905 C SER A 62 3.006 14.803 0.903 1.00 0.00 C ATOM 906 O SER A 62 2.769 13.821 0.200 1.00 0.00 O ATOM 907 CB SER A 62 4.870 16.452 0.644 1.00 0.00 C ATOM 908 OG SER A 62 5.762 17.177 1.472 1.00 0.00 O ATOM 0 H SER A 62 4.921 13.306 0.434 1.00 0.00 H new ATOM 0 HA SER A 62 4.463 15.275 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.351 16.233 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.994 17.062 0.426 1.00 0.00 H new ATOM 0 HG SER A 62 6.303 16.551 1.997 1.00 0.00 H new ATOM 914 N PHE A 63 2.057 15.621 1.348 1.00 0.00 N ATOM 915 CA PHE A 63 0.651 15.404 1.029 1.00 0.00 C ATOM 916 C PHE A 63 0.468 15.120 -0.459 1.00 0.00 C ATOM 917 O PHE A 63 -0.545 14.556 -0.873 1.00 0.00 O ATOM 918 CB PHE A 63 -0.179 16.625 1.433 1.00 0.00 C ATOM 919 CG PHE A 63 -1.464 16.756 0.667 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.539 15.927 0.945 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.598 17.707 -0.331 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.723 16.045 0.242 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.779 17.830 -1.038 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.844 16.998 -0.750 1.00 0.00 C ATOM 0 H PHE A 63 2.236 16.439 1.930 1.00 0.00 H new ATOM 0 HA PHE A 63 0.306 14.536 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.404 16.565 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.417 17.525 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.451 15.180 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.769 18.361 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.553 15.392 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.869 18.575 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.769 17.093 -1.299 1.00 0.00 H new ATOM 934 N GLU A 64 1.455 15.516 -1.257 1.00 0.00 N ATOM 935 CA GLU A 64 1.402 15.305 -2.699 1.00 0.00 C ATOM 936 C GLU A 64 1.544 13.824 -3.038 1.00 0.00 C ATOM 937 O GLU A 64 0.573 13.166 -3.413 1.00 0.00 O ATOM 938 CB GLU A 64 2.503 16.107 -3.395 1.00 0.00 C ATOM 939 CG GLU A 64 2.074 17.507 -3.799 1.00 0.00 C ATOM 940 CD GLU A 64 3.231 18.487 -3.825 1.00 0.00 C ATOM 941 OE1 GLU A 64 3.969 18.507 -4.833 1.00 0.00 O ATOM 942 OE2 GLU A 64 3.399 19.234 -2.839 1.00 0.00 O ATOM 0 H GLU A 64 2.300 15.984 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 64 0.431 15.650 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.364 16.178 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.829 15.566 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.611 17.471 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.315 17.865 -3.104 1.00 0.00 H new ATOM 949 N ASP A 65 2.760 13.307 -2.903 1.00 0.00 N ATOM 950 CA ASP A 65 3.030 11.903 -3.194 1.00 0.00 C ATOM 951 C ASP A 65 2.006 11.000 -2.514 1.00 0.00 C ATOM 952 O ASP A 65 1.520 10.039 -3.108 1.00 0.00 O ATOM 953 CB ASP A 65 4.441 11.529 -2.739 1.00 0.00 C ATOM 954 CG ASP A 65 5.505 11.985 -3.718 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.233 11.977 -4.937 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.610 12.350 -3.265 1.00 0.00 O ATOM 0 H ASP A 65 3.574 13.838 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 65 2.954 11.759 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.635 11.974 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.505 10.448 -2.615 1.00 0.00 H new ATOM 961 N ALA A 66 1.684 11.316 -1.263 1.00 0.00 N ATOM 962 CA ALA A 66 0.718 10.534 -0.502 1.00 0.00 C ATOM 963 C ALA A 66 -0.637 10.505 -1.201 1.00 0.00 C ATOM 964 O ALA A 66 -1.295 9.467 -1.260 1.00 0.00 O ATOM 965 CB ALA A 66 0.577 11.094 0.905 1.00 0.00 C ATOM 0 H ALA A 66 2.078 12.108 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 66 1.086 9.510 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.148 10.500 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.542 11.056 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.235 12.128 0.853 1.00 0.00 H new ATOM 971 N LYS A 67 -1.050 11.653 -1.729 1.00 0.00 N ATOM 972 CA LYS A 67 -2.327 11.760 -2.424 1.00 0.00 C ATOM 973 C LYS A 67 -2.261 11.085 -3.791 1.00 0.00 C ATOM 974 O LYS A 67 -3.279 10.652 -4.328 1.00 0.00 O ATOM 975 CB LYS A 67 -2.719 13.230 -2.589 1.00 0.00 C ATOM 976 CG LYS A 67 -3.939 13.439 -3.469 1.00 0.00 C ATOM 977 CD LYS A 67 -5.223 13.097 -2.734 1.00 0.00 C ATOM 978 CE LYS A 67 -5.670 14.238 -1.832 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.570 15.188 -2.543 1.00 0.00 N ATOM 0 H LYS A 67 -0.518 12.522 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.082 11.253 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.913 13.658 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.877 13.776 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.975 14.476 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.854 12.820 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.008 12.874 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.073 12.197 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.185 13.832 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.795 14.774 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.852 15.950 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.070 15.595 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.417 14.683 -2.873 1.00 0.00 H new ATOM 993 N GLU A 68 -1.055 10.998 -4.345 1.00 0.00 N ATOM 994 CA GLU A 68 -0.858 10.375 -5.649 1.00 0.00 C ATOM 995 C GLU A 68 -1.143 8.877 -5.584 1.00 0.00 C ATOM 996 O GLU A 68 -1.705 8.301 -6.514 1.00 0.00 O ATOM 997 CB GLU A 68 0.571 10.612 -6.142 1.00 0.00 C ATOM 998 CG GLU A 68 0.955 9.750 -7.332 1.00 0.00 C ATOM 999 CD GLU A 68 0.369 10.258 -8.635 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.974 11.165 -9.244 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.694 9.749 -9.045 1.00 0.00 O ATOM 0 H GLU A 68 -0.201 11.350 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.557 10.831 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.683 11.662 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.265 10.418 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.041 9.716 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.616 8.728 -7.160 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.750 8.253 -4.478 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.964 6.824 -4.290 1.00 0.00 C ATOM 1010 C ALA A 69 -2.306 6.553 -3.619 1.00 0.00 C ATOM 1011 O ALA A 69 -2.933 5.519 -3.855 1.00 0.00 O ATOM 1012 CB ALA A 69 0.169 6.223 -3.471 1.00 0.00 C ATOM 0 H ALA A 69 -0.282 8.715 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.977 6.352 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.004 5.155 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.115 6.375 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.210 6.708 -2.495 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.742 7.487 -2.781 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.010 7.348 -2.073 1.00 0.00 C ATOM 1020 C LEU A 70 -5.186 7.438 -3.041 1.00 0.00 C ATOM 1021 O LEU A 70 -6.271 6.928 -2.764 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.137 8.428 -0.998 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.562 8.842 -0.627 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.248 7.741 0.167 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.551 10.144 0.161 1.00 0.00 C ATOM 0 H LEU A 70 -2.236 8.349 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.027 6.367 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.636 8.076 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.599 9.314 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.125 9.002 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.261 8.053 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.289 6.832 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.687 7.548 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.573 10.423 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.972 10.011 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.100 10.931 -0.443 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.961 8.087 -4.179 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.001 8.241 -5.190 1.00 0.00 C ATOM 1039 C ASN A 71 -6.136 6.974 -6.029 1.00 0.00 C ATOM 1040 O ASN A 71 -7.239 6.590 -6.417 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.689 9.435 -6.094 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.150 10.750 -5.496 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.184 10.813 -4.830 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.384 11.808 -5.731 1.00 0.00 N ATOM 0 H ASN A 71 -4.068 8.515 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.947 8.419 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.615 9.479 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.170 9.290 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.644 12.720 -5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.535 11.710 -6.288 1.00 0.00 H new ATOM 1051 N SER A 72 -5.007 6.330 -6.305 1.00 0.00 N ATOM 1052 CA SER A 72 -4.998 5.109 -7.101 1.00 0.00 C ATOM 1053 C SER A 72 -5.089 3.876 -6.206 1.00 0.00 C ATOM 1054 O SER A 72 -6.076 3.140 -6.243 1.00 0.00 O ATOM 1055 CB SER A 72 -3.731 5.040 -7.955 1.00 0.00 C ATOM 1056 OG SER A 72 -3.927 4.220 -9.094 1.00 0.00 O ATOM 0 H SER A 72 -4.086 6.634 -5.989 1.00 0.00 H new ATOM 0 HA SER A 72 -5.869 5.126 -7.757 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.446 6.044 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.907 4.648 -7.358 1.00 0.00 H new ATOM 0 HG SER A 72 -3.103 4.194 -9.624 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.053 3.659 -5.404 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.014 2.515 -4.499 1.00 0.00 C ATOM 1064 C CYS A 73 -5.367 2.309 -3.825 1.00 0.00 C ATOM 1065 O CYS A 73 -5.733 1.187 -3.478 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.928 2.713 -3.440 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.276 2.992 -4.121 1.00 0.00 S ATOM 0 H CYS A 73 -3.229 4.259 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.781 1.626 -5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.199 3.562 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.900 1.835 -2.795 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.446 3.251 -3.154 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.103 3.399 -3.642 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.415 3.338 -3.007 1.00 0.00 C ATOM 1075 C ASN A 74 -8.145 2.054 -3.389 1.00 0.00 C ATOM 1076 O ASN A 74 -8.370 1.781 -4.568 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.255 4.553 -3.407 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.237 4.958 -2.324 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.436 5.088 -2.575 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.733 5.159 -1.113 1.00 0.00 N ATOM 0 H ASN A 74 -5.814 4.336 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.269 3.345 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.594 5.392 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.801 4.328 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.345 5.433 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.733 5.040 -0.950 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.512 1.267 -2.383 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.218 0.012 -2.611 1.00 0.00 C ATOM 1089 C LYS A 75 -8.395 -0.923 -3.492 1.00 0.00 C ATOM 1090 O LYS A 75 -8.868 -1.389 -4.528 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.577 0.279 -3.262 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.424 1.291 -2.510 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.533 1.850 -3.385 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.122 3.121 -2.794 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.338 3.565 -3.531 1.00 0.00 N ATOM 0 H LYS A 75 -8.332 1.477 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.373 -0.470 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.419 0.635 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.126 -0.660 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.858 0.820 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.792 2.106 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.142 2.058 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.318 1.103 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.374 2.952 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.374 3.913 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.709 4.434 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.093 3.751 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.062 2.820 -3.487 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.164 -1.193 -3.072 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.276 -2.072 -3.823 1.00 0.00 C ATOM 1111 C ARG A 76 -6.505 -3.531 -3.440 1.00 0.00 C ATOM 1112 O ARG A 76 -6.486 -3.883 -2.261 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.816 -1.692 -3.574 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.821 -2.599 -4.278 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.899 -2.445 -5.789 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.637 -2.785 -6.440 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.506 -2.945 -7.752 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -3.555 -2.795 -8.549 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.324 -3.254 -8.270 1.00 0.00 N ATOM 0 H ARG A 76 -6.759 -0.816 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.499 -1.952 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.655 -0.666 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.621 -1.716 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.812 -2.366 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.017 -3.636 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.691 -3.085 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.169 -1.418 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.810 -2.906 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.465 -2.556 -8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.452 -2.918 -9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.514 -3.369 -7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.225 -3.377 -9.278 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.722 -4.375 -4.444 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.955 -5.795 -4.212 1.00 0.00 C ATOM 1135 C GLU A 77 -5.651 -6.514 -3.879 1.00 0.00 C ATOM 1136 O GLU A 77 -4.839 -6.790 -4.762 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.604 -6.436 -5.440 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.123 -6.383 -5.424 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.720 -6.352 -6.817 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.558 -5.327 -7.511 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.351 -7.355 -7.214 1.00 0.00 O ATOM 0 H GLU A 77 -6.741 -4.099 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.630 -5.891 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.241 -5.933 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.286 -7.476 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.507 -7.250 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.446 -5.499 -4.874 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.458 -6.813 -2.599 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.253 -7.500 -2.149 1.00 0.00 C ATOM 1150 C ILE A 78 -4.600 -8.727 -1.312 1.00 0.00 C ATOM 1151 O ILE A 78 -5.392 -8.647 -0.374 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.349 -6.567 -1.321 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.934 -5.352 -2.154 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.124 -7.320 -0.825 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.941 -4.451 -1.454 1.00 0.00 C ATOM 0 H ILE A 78 -6.120 -6.591 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.715 -7.813 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.910 -6.215 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.501 -5.696 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.823 -4.773 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.495 -6.648 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.439 -8.156 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.559 -7.697 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.692 -3.611 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.378 -4.077 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.036 -5.014 -1.226 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.999 -9.861 -1.659 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.244 -11.105 -0.939 1.00 0.00 C ATOM 1169 C GLU A 79 -5.705 -11.528 -1.065 1.00 0.00 C ATOM 1170 O GLU A 79 -6.247 -12.196 -0.185 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.873 -10.948 0.538 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.414 -11.250 0.834 1.00 0.00 C ATOM 1173 CD GLU A 79 -2.071 -12.715 0.641 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.796 -13.572 1.188 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -1.077 -13.003 -0.058 1.00 0.00 O ATOM 0 H GLU A 79 -3.340 -9.944 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.619 -11.880 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.096 -9.929 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.501 -11.610 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.782 -10.644 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.188 -10.960 1.860 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.336 -11.133 -2.166 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.728 -11.480 -2.388 1.00 0.00 C ATOM 1184 C GLY A 80 -8.680 -10.528 -1.691 1.00 0.00 C ATOM 1185 O GLY A 80 -9.895 -10.615 -1.868 1.00 0.00 O ATOM 0 H GLY A 80 -5.909 -10.579 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.934 -11.476 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.908 -12.494 -2.032 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.128 -9.619 -0.894 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.937 -8.649 -0.166 1.00 0.00 C ATOM 1191 C ARG A 81 -8.549 -7.223 -0.546 1.00 0.00 C ATOM 1192 O ARG A 81 -7.368 -6.903 -0.673 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.775 -8.848 1.342 1.00 0.00 C ATOM 1194 CG ARG A 81 -7.350 -8.654 1.833 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.318 -8.119 3.256 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.297 -9.193 4.245 1.00 0.00 N ATOM 1197 CZ ARG A 81 -7.593 -9.018 5.528 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -7.932 -7.817 5.975 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -7.551 -10.045 6.366 1.00 0.00 N ATOM 0 H ARG A 81 -7.124 -9.534 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.981 -8.808 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.428 -8.149 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -9.107 -9.852 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.816 -9.603 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.827 -7.963 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.438 -7.489 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.190 -7.487 3.425 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.041 -10.130 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.966 -7.025 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.159 -7.685 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.291 -10.971 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.779 -9.909 7.351 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.553 -6.371 -0.725 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.317 -4.979 -1.089 1.00 0.00 C ATOM 1215 C ALA A 82 -8.857 -4.167 0.117 1.00 0.00 C ATOM 1216 O ALA A 82 -9.271 -4.428 1.247 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.576 -4.370 -1.689 1.00 0.00 C ATOM 0 H ALA A 82 -10.537 -6.620 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.523 -4.954 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.386 -3.331 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.860 -4.928 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.385 -4.415 -0.960 1.00 0.00 H new ATOM 1223 N ILE A 83 -8.000 -3.182 -0.131 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.484 -2.332 0.935 1.00 0.00 C ATOM 1225 C ILE A 83 -7.813 -0.866 0.676 1.00 0.00 C ATOM 1226 O ILE A 83 -7.562 -0.345 -0.411 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.960 -2.485 1.089 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.238 -1.844 -0.098 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.585 -3.955 1.213 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.873 -0.394 0.129 1.00 0.00 C ATOM 0 H ILE A 83 -7.648 -2.953 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.968 -2.653 1.857 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.649 -1.972 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.331 -2.410 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.873 -1.917 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.504 -4.047 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.075 -4.383 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.907 -4.489 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.364 -0.004 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.778 0.185 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.213 -0.316 0.993 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.375 -0.205 1.683 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.738 1.202 1.565 1.00 0.00 C ATOM 1244 C ARG A 84 -7.694 2.091 2.234 1.00 0.00 C ATOM 1245 O ARG A 84 -7.079 1.704 3.229 1.00 0.00 O ATOM 1246 CB ARG A 84 -10.112 1.451 2.190 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.642 2.856 1.956 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.746 3.206 2.941 1.00 0.00 C ATOM 1249 NE ARG A 84 -11.216 3.776 4.177 1.00 0.00 N ATOM 1250 CZ ARG A 84 -11.918 3.874 5.301 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.171 3.443 5.344 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -11.365 4.405 6.384 1.00 0.00 N ATOM 0 H ARG A 84 -8.589 -0.621 2.589 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.778 1.453 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.823 0.731 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.052 1.268 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.827 3.574 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.022 2.938 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.432 3.916 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.322 2.310 3.173 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.255 4.117 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.599 3.035 4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.707 3.520 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.401 4.738 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.904 4.480 7.247 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.497 3.283 1.682 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.527 4.227 2.224 1.00 0.00 C ATOM 1268 C LEU A 85 -7.199 5.544 2.599 1.00 0.00 C ATOM 1269 O LEU A 85 -8.105 6.007 1.908 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.411 4.482 1.209 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.566 3.268 0.822 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.055 3.406 -0.604 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.407 3.093 1.792 1.00 0.00 C ATOM 0 H LEU A 85 -7.997 3.619 0.859 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.097 3.790 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.858 4.892 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.748 5.247 1.612 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.195 2.380 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.456 2.533 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.900 3.481 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.442 4.304 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.817 2.224 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.778 3.983 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.795 2.947 2.800 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.747 6.142 3.697 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.305 7.406 4.162 1.00 0.00 C ATOM 1287 C GLU A 86 -6.229 8.267 4.818 1.00 0.00 C ATOM 1288 O GLU A 86 -5.416 7.775 5.602 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.445 7.154 5.151 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.809 7.041 4.492 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.946 7.073 5.495 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.758 7.654 6.585 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -12.022 6.518 5.191 1.00 0.00 O ATOM 0 H GLU A 86 -5.997 5.772 4.280 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.697 7.940 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.240 6.236 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.469 7.965 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.934 7.858 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.858 6.113 3.923 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.230 9.555 4.492 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.254 10.486 5.049 1.00 0.00 C ATOM 1302 C LEU A 87 -5.378 10.562 6.567 1.00 0.00 C ATOM 1303 O LEU A 87 -6.472 10.742 7.101 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.442 11.877 4.440 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.095 12.013 2.957 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.487 13.389 2.441 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.612 11.759 2.731 1.00 0.00 C ATOM 0 H LEU A 87 -6.895 9.978 3.845 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.257 10.120 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.481 12.175 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.831 12.583 5.002 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.660 11.265 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.232 13.467 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.560 13.533 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.950 14.154 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.383 11.860 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.028 12.483 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.361 10.751 3.062 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.249 10.425 7.255 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.232 10.479 8.712 1.00 0.00 C ATOM 1321 C GLN A 88 -4.396 11.914 9.205 1.00 0.00 C ATOM 1322 O GLN A 88 -3.885 12.852 8.596 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.929 9.888 9.251 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.061 9.290 10.642 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.723 9.132 11.339 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.450 9.796 12.339 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.882 8.250 10.813 1.00 0.00 N ATOM 0 H GLN A 88 -3.335 10.276 6.827 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.070 9.888 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.579 9.117 8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.167 10.667 9.271 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.708 9.925 11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.546 8.317 10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.151 7.721 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.033 8.101 11.239 1.00 0.00 H new