USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.6) USER MOD Set 2.1: A 38 GLN : amide:sc= -1.16 K(o=-1.9,f=-2.5) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.711! C(o=-1.9!,f=-8.7!) USER MOD Single : A 23 TYR OH : rot -54:sc= 0.499 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0394) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.259 USER MOD Single : A 50 ASN : amide:sc= -0.547 K(o=-0.55,f=-4.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -81:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.642 K(o=0.64,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.657 -5.715 8.320 1.00 0.00 N ATOM 153 CA TYR A 23 7.479 -5.124 7.729 1.00 0.00 C ATOM 154 C TYR A 23 7.479 -3.656 8.136 1.00 0.00 C ATOM 155 O TYR A 23 7.660 -3.306 9.294 1.00 0.00 O ATOM 156 CB TYR A 23 6.172 -5.756 8.201 1.00 0.00 C ATOM 157 CG TYR A 23 5.177 -5.934 7.083 1.00 0.00 C ATOM 158 CD1 TYR A 23 5.191 -7.052 6.245 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.168 -4.986 6.841 1.00 0.00 C ATOM 160 CE1 TYR A 23 4.198 -7.367 5.310 1.00 0.00 C ATOM 161 CE2 TYR A 23 3.145 -5.280 5.941 1.00 0.00 C ATOM 162 CZ TYR A 23 3.110 -6.471 5.179 1.00 0.00 C ATOM 163 OH TYR A 23 2.239 -6.692 4.146 1.00 0.00 O ATOM 0 HA TYR A 23 7.523 -5.278 6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.384 -6.726 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.731 -5.132 8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.032 -7.725 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.185 -4.034 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.260 -8.263 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.343 -4.566 5.820 1.00 0.00 H new ATOM 0 HH TYR A 23 2.737 -6.741 3.303 1.00 0.00 H new ATOM 173 N TYR A 24 7.282 -2.719 7.206 1.00 0.00 N ATOM 174 CA TYR A 24 7.372 -1.277 7.324 1.00 0.00 C ATOM 175 C TYR A 24 6.743 -0.581 8.517 1.00 0.00 C ATOM 176 O TYR A 24 5.542 -0.690 8.738 1.00 0.00 O ATOM 177 CB TYR A 24 6.816 -0.706 6.031 1.00 0.00 C ATOM 178 CG TYR A 24 5.325 -0.460 5.882 1.00 0.00 C ATOM 179 CD1 TYR A 24 4.462 -1.496 5.460 1.00 0.00 C ATOM 180 CD2 TYR A 24 4.803 0.800 6.183 1.00 0.00 C ATOM 181 CE1 TYR A 24 3.130 -1.199 5.172 1.00 0.00 C ATOM 182 CE2 TYR A 24 3.457 1.051 5.914 1.00 0.00 C ATOM 183 CZ TYR A 24 2.584 0.085 5.385 1.00 0.00 C ATOM 184 OH TYR A 24 1.343 0.409 4.911 1.00 0.00 O ATOM 0 H TYR A 24 7.029 -2.989 6.255 1.00 0.00 H new ATOM 0 HA TYR A 24 8.428 -1.076 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.319 0.245 5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.114 -1.378 5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.830 -2.507 5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.429 1.566 6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.496 -1.977 4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.067 2.036 6.123 1.00 0.00 H new ATOM 0 HH TYR A 24 1.132 1.335 5.153 1.00 0.00 H new ATOM 194 N LYS A 25 7.541 0.068 9.366 1.00 0.00 N ATOM 195 CA LYS A 25 7.087 0.606 10.650 1.00 0.00 C ATOM 196 C LYS A 25 6.083 1.744 10.583 1.00 0.00 C ATOM 197 O LYS A 25 5.211 1.874 11.429 1.00 0.00 O ATOM 198 CB LYS A 25 8.198 1.044 11.584 1.00 0.00 C ATOM 199 CG LYS A 25 9.022 -0.174 11.988 1.00 0.00 C ATOM 200 CD LYS A 25 10.373 0.187 12.588 1.00 0.00 C ATOM 201 CE LYS A 25 10.248 0.757 13.998 1.00 0.00 C ATOM 202 NZ LYS A 25 9.653 -0.099 15.029 1.00 0.00 N ATOM 0 H LYS A 25 8.530 0.237 9.180 1.00 0.00 H new ATOM 0 HA LYS A 25 6.585 -0.275 11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.833 1.781 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.778 1.524 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.457 -0.763 12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.177 -0.806 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.006 -0.700 12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.870 0.915 11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.245 1.043 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.657 1.671 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.738 0.364 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.648 -0.257 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.150 -1.012 15.052 1.00 0.00 H new ATOM 216 N ILE A 26 6.197 2.658 9.607 1.00 0.00 N ATOM 217 CA ILE A 26 5.350 3.832 9.670 1.00 0.00 C ATOM 218 C ILE A 26 3.858 3.520 9.598 1.00 0.00 C ATOM 219 O ILE A 26 3.062 4.363 10.009 1.00 0.00 O ATOM 220 CB ILE A 26 5.755 4.814 8.586 1.00 0.00 C ATOM 221 CG1 ILE A 26 5.748 4.214 7.179 1.00 0.00 C ATOM 222 CG2 ILE A 26 7.097 5.454 8.902 1.00 0.00 C ATOM 223 CD1 ILE A 26 5.938 5.304 6.137 1.00 0.00 C ATOM 0 H ILE A 26 6.833 2.605 8.811 1.00 0.00 H new ATOM 0 HA ILE A 26 5.504 4.280 10.652 1.00 0.00 H new ATOM 0 HB ILE A 26 4.989 5.589 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.543 3.473 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.806 3.694 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.363 6.153 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.031 5.989 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.861 4.680 8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.931 4.861 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.128 6.029 6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.892 5.805 6.304 1.00 0.00 H new ATOM 235 N ILE A 27 3.355 2.394 9.074 1.00 0.00 N ATOM 236 CA ILE A 27 1.945 2.082 9.177 1.00 0.00 C ATOM 237 C ILE A 27 1.772 0.623 9.531 1.00 0.00 C ATOM 238 O ILE A 27 1.109 0.394 10.551 1.00 0.00 O ATOM 239 CB ILE A 27 1.016 2.612 8.086 1.00 0.00 C ATOM 240 CG1 ILE A 27 1.491 3.959 7.551 1.00 0.00 C ATOM 241 CG2 ILE A 27 -0.399 2.693 8.649 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.775 4.404 6.280 1.00 0.00 C ATOM 0 H ILE A 27 3.909 1.695 8.579 1.00 0.00 H new ATOM 0 HA ILE A 27 1.568 2.686 10.003 1.00 0.00 H new ATOM 0 HB ILE A 27 1.026 1.929 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.348 4.716 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.562 3.904 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.075 3.070 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.723 1.701 8.962 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.412 3.366 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.167 5.370 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.939 3.668 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.293 4.493 6.476 1.00 0.00 H new ATOM 254 N LYS A 28 2.340 -0.359 8.815 1.00 0.00 N ATOM 255 CA LYS A 28 2.235 -1.775 9.059 1.00 0.00 C ATOM 256 C LYS A 28 0.838 -2.362 8.925 1.00 0.00 C ATOM 257 O LYS A 28 0.598 -2.803 7.804 1.00 0.00 O ATOM 258 CB LYS A 28 2.946 -2.107 10.378 1.00 0.00 C ATOM 259 CG LYS A 28 3.437 -3.538 10.276 1.00 0.00 C ATOM 260 CD LYS A 28 3.884 -4.045 11.644 1.00 0.00 C ATOM 261 CE LYS A 28 5.232 -3.446 12.009 1.00 0.00 C ATOM 262 NZ LYS A 28 5.564 -3.679 13.419 1.00 0.00 N ATOM 0 H LYS A 28 2.919 -0.154 8.001 1.00 0.00 H new ATOM 0 HA LYS A 28 2.750 -2.288 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.780 -1.426 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.265 -1.993 11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.643 -4.175 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.266 -3.595 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.143 -3.780 12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.952 -5.133 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.006 -3.879 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.220 -2.374 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.490 -3.257 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.838 -3.244 14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.600 -4.702 13.603 1.00 0.00 H new ATOM 276 N THR A 29 0.046 -2.543 9.982 1.00 0.00 N ATOM 277 CA THR A 29 -1.193 -3.271 10.117 1.00 0.00 C ATOM 278 C THR A 29 -2.115 -3.006 8.939 1.00 0.00 C ATOM 279 O THR A 29 -2.949 -3.849 8.621 1.00 0.00 O ATOM 280 CB THR A 29 -1.806 -2.981 11.479 1.00 0.00 C ATOM 281 OG1 THR A 29 -2.074 -1.591 11.464 1.00 0.00 O ATOM 282 CG2 THR A 29 -0.864 -3.259 12.651 1.00 0.00 C ATOM 0 H THR A 29 0.303 -2.122 10.875 1.00 0.00 H new ATOM 0 HA THR A 29 -1.006 -4.344 10.085 1.00 0.00 H new ATOM 0 HB THR A 29 -2.677 -3.620 11.625 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.476 -1.326 12.317 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.371 -3.029 13.588 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.574 -4.310 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.026 -2.637 12.558 1.00 0.00 H new ATOM 290 N ALA A 30 -2.118 -1.828 8.302 1.00 0.00 N ATOM 291 CA ALA A 30 -3.153 -1.163 7.527 1.00 0.00 C ATOM 292 C ALA A 30 -3.773 -1.921 6.369 1.00 0.00 C ATOM 293 O ALA A 30 -4.934 -1.643 6.049 1.00 0.00 O ATOM 294 CB ALA A 30 -2.416 0.065 7.004 1.00 0.00 C ATOM 0 H ALA A 30 -1.278 -1.249 8.327 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.023 -0.995 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.093 0.663 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.061 0.662 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.566 -0.251 6.399 1.00 0.00 H new ATOM 300 N ARG A 31 -3.097 -2.881 5.743 1.00 0.00 N ATOM 301 CA ARG A 31 -3.537 -3.643 4.582 1.00 0.00 C ATOM 302 C ARG A 31 -4.992 -4.042 4.447 1.00 0.00 C ATOM 303 O ARG A 31 -5.613 -3.822 3.410 1.00 0.00 O ATOM 304 CB ARG A 31 -2.445 -4.658 4.237 1.00 0.00 C ATOM 305 CG ARG A 31 -2.153 -5.844 5.140 1.00 0.00 C ATOM 306 CD ARG A 31 -1.309 -6.907 4.429 1.00 0.00 C ATOM 307 NE ARG A 31 -0.920 -8.015 5.298 1.00 0.00 N ATOM 308 CZ ARG A 31 -0.601 -9.239 4.851 1.00 0.00 C ATOM 309 NH1 ARG A 31 -0.561 -9.650 3.579 1.00 0.00 N ATOM 310 NH2 ARG A 31 -0.312 -10.125 5.813 1.00 0.00 N ATOM 0 H ARG A 31 -2.168 -3.164 6.055 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.632 -2.946 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.685 -5.060 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.514 -4.100 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.629 -5.501 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.092 -6.288 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.871 -7.300 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.411 -6.438 4.026 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.889 -7.848 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.789 -9.001 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.302 -10.612 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.346 -9.843 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.058 -11.081 5.566 1.00 0.00 H new ATOM 324 N GLU A 32 -5.600 -4.642 5.475 1.00 0.00 N ATOM 325 CA GLU A 32 -7.031 -4.876 5.501 1.00 0.00 C ATOM 326 C GLU A 32 -7.900 -3.629 5.712 1.00 0.00 C ATOM 327 O GLU A 32 -8.898 -3.580 4.996 1.00 0.00 O ATOM 328 CB GLU A 32 -7.351 -6.066 6.406 1.00 0.00 C ATOM 329 CG GLU A 32 -7.028 -7.400 5.726 1.00 0.00 C ATOM 330 CD GLU A 32 -7.358 -8.626 6.557 1.00 0.00 C ATOM 331 OE1 GLU A 32 -6.575 -9.092 7.406 1.00 0.00 O ATOM 332 OE2 GLU A 32 -8.448 -9.186 6.325 1.00 0.00 O ATOM 0 H GLU A 32 -5.109 -4.975 6.305 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.331 -5.154 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.781 -5.982 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.406 -6.043 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.576 -7.456 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.967 -7.419 5.478 1.00 0.00 H new ATOM 339 N GLN A 33 -7.511 -2.648 6.529 1.00 0.00 N ATOM 340 CA GLN A 33 -8.236 -1.438 6.814 1.00 0.00 C ATOM 341 C GLN A 33 -8.401 -0.506 5.621 1.00 0.00 C ATOM 342 O GLN A 33 -9.098 0.510 5.671 1.00 0.00 O ATOM 343 CB GLN A 33 -7.574 -0.675 7.962 1.00 0.00 C ATOM 344 CG GLN A 33 -7.950 -1.367 9.272 1.00 0.00 C ATOM 345 CD GLN A 33 -7.223 -0.779 10.489 1.00 0.00 C ATOM 346 OE1 GLN A 33 -7.556 0.347 10.855 1.00 0.00 O ATOM 347 NE2 GLN A 33 -6.274 -1.466 11.124 1.00 0.00 N ATOM 0 H GLN A 33 -6.625 -2.694 7.033 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.238 -1.765 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.491 -0.662 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.907 0.363 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.026 -1.286 9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.718 -2.429 9.195 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.016 -2.398 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.805 -1.060 11.934 1.00 0.00 H new ATOM 356 N LEU A 34 -7.892 -0.892 4.450 1.00 0.00 N ATOM 357 CA LEU A 34 -7.904 -0.063 3.262 1.00 0.00 C ATOM 358 C LEU A 34 -9.269 0.090 2.615 1.00 0.00 C ATOM 359 O LEU A 34 -9.494 0.966 1.769 1.00 0.00 O ATOM 360 CB LEU A 34 -6.860 -0.573 2.277 1.00 0.00 C ATOM 361 CG LEU A 34 -5.463 -0.035 2.565 1.00 0.00 C ATOM 362 CD1 LEU A 34 -4.474 -0.995 1.908 1.00 0.00 C ATOM 363 CD2 LEU A 34 -5.266 1.397 2.085 1.00 0.00 C ATOM 0 H LEU A 34 -7.456 -1.803 4.307 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.647 0.948 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.839 -1.662 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.152 -0.290 1.266 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.302 0.013 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.456 -0.649 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.599 -1.992 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.660 -1.031 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.252 1.723 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.423 1.444 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.981 2.050 2.585 1.00 0.00 H new ATOM 375 N GLY A 35 -10.247 -0.682 3.126 1.00 0.00 N ATOM 376 CA GLY A 35 -11.523 -1.086 2.589 1.00 0.00 C ATOM 377 C GLY A 35 -11.505 -1.619 1.168 1.00 0.00 C ATOM 378 O GLY A 35 -12.562 -1.789 0.558 1.00 0.00 O ATOM 0 H GLY A 35 -10.123 -1.082 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.942 -1.854 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.199 -0.232 2.628 1.00 0.00 H new ATOM 382 N ILE A 36 -10.298 -1.781 0.637 1.00 0.00 N ATOM 383 CA ILE A 36 -10.083 -2.060 -0.770 1.00 0.00 C ATOM 384 C ILE A 36 -9.034 -3.150 -0.948 1.00 0.00 C ATOM 385 O ILE A 36 -8.256 -3.356 -0.032 1.00 0.00 O ATOM 386 CB ILE A 36 -9.911 -0.820 -1.640 1.00 0.00 C ATOM 387 CG1 ILE A 36 -8.451 -0.383 -1.564 1.00 0.00 C ATOM 388 CG2 ILE A 36 -10.855 0.323 -1.266 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.121 0.898 -2.325 1.00 0.00 C ATOM 0 H ILE A 36 -9.436 -1.721 1.180 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.009 -2.471 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.179 -1.081 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.183 -0.245 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.826 -1.188 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.677 1.172 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.888 -0.009 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.674 0.622 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.061 1.126 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.352 0.763 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.714 1.721 -1.926 1.00 0.00 H new ATOM 401 N SER A 37 -8.849 -3.737 -2.127 1.00 0.00 N ATOM 402 CA SER A 37 -7.863 -4.770 -2.400 1.00 0.00 C ATOM 403 C SER A 37 -7.070 -4.586 -3.682 1.00 0.00 C ATOM 404 O SER A 37 -7.202 -3.544 -4.335 1.00 0.00 O ATOM 405 CB SER A 37 -8.566 -6.125 -2.371 1.00 0.00 C ATOM 406 OG SER A 37 -9.121 -6.370 -1.099 1.00 0.00 O ATOM 0 H SER A 37 -9.404 -3.495 -2.947 1.00 0.00 H new ATOM 0 HA SER A 37 -7.107 -4.702 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.351 -6.149 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.857 -6.914 -2.622 1.00 0.00 H new ATOM 0 HG SER A 37 -9.569 -7.242 -1.100 1.00 0.00 H new ATOM 412 N GLN A 38 -6.138 -5.451 -4.054 1.00 0.00 N ATOM 413 CA GLN A 38 -5.063 -5.167 -5.001 1.00 0.00 C ATOM 414 C GLN A 38 -5.430 -4.480 -6.312 1.00 0.00 C ATOM 415 O GLN A 38 -4.605 -3.742 -6.841 1.00 0.00 O ATOM 416 CB GLN A 38 -4.224 -6.426 -5.231 1.00 0.00 C ATOM 417 CG GLN A 38 -4.912 -7.519 -6.054 1.00 0.00 C ATOM 418 CD GLN A 38 -6.034 -8.182 -5.274 1.00 0.00 C ATOM 419 OE1 GLN A 38 -7.244 -8.013 -5.347 1.00 0.00 O ATOM 420 NE2 GLN A 38 -5.550 -9.033 -4.364 1.00 0.00 N ATOM 0 H GLN A 38 -6.106 -6.405 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.477 -4.392 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.299 -6.142 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.946 -6.842 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.311 -7.087 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.179 -8.270 -6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.544 -9.184 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.187 -9.531 -3.742 1.00 0.00 H new ATOM 429 N GLN A 39 -6.545 -4.788 -6.967 1.00 0.00 N ATOM 430 CA GLN A 39 -6.867 -4.357 -8.305 1.00 0.00 C ATOM 431 C GLN A 39 -7.292 -2.885 -8.281 1.00 0.00 C ATOM 432 O GLN A 39 -6.894 -2.184 -9.193 1.00 0.00 O ATOM 433 CB GLN A 39 -7.843 -5.385 -8.875 1.00 0.00 C ATOM 434 CG GLN A 39 -9.285 -5.334 -8.419 1.00 0.00 C ATOM 435 CD GLN A 39 -9.492 -5.635 -6.941 1.00 0.00 C ATOM 436 OE1 GLN A 39 -9.237 -4.821 -6.041 1.00 0.00 O ATOM 437 NE2 GLN A 39 -9.871 -6.863 -6.581 1.00 0.00 N ATOM 0 H GLN A 39 -7.274 -5.370 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.026 -4.344 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.834 -5.286 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.455 -6.377 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.686 -4.344 -8.634 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.864 -6.047 -9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.089 -7.559 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.943 -7.105 -5.593 1.00 0.00 H new ATOM 446 N GLN A 40 -8.051 -2.443 -7.273 1.00 0.00 N ATOM 447 CA GLN A 40 -8.174 -1.039 -6.918 1.00 0.00 C ATOM 448 C GLN A 40 -6.922 -0.393 -6.361 1.00 0.00 C ATOM 449 O GLN A 40 -6.752 0.797 -6.587 1.00 0.00 O ATOM 450 CB GLN A 40 -9.316 -0.809 -5.939 1.00 0.00 C ATOM 451 CG GLN A 40 -10.683 -1.096 -6.534 1.00 0.00 C ATOM 452 CD GLN A 40 -11.760 -0.439 -5.693 1.00 0.00 C ATOM 453 OE1 GLN A 40 -12.105 0.736 -5.880 1.00 0.00 O ATOM 454 NE2 GLN A 40 -12.411 -1.161 -4.774 1.00 0.00 N ATOM 0 H GLN A 40 -8.601 -3.063 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.374 -0.555 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.168 -1.442 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.287 0.225 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.730 -0.722 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.851 -2.172 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.143 -2.130 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.175 -0.742 -4.244 1.00 0.00 H new ATOM 463 N LEU A 41 -6.069 -1.075 -5.588 1.00 0.00 N ATOM 464 CA LEU A 41 -4.918 -0.412 -4.987 1.00 0.00 C ATOM 465 C LEU A 41 -3.935 0.084 -6.032 1.00 0.00 C ATOM 466 O LEU A 41 -3.282 1.113 -5.871 1.00 0.00 O ATOM 467 CB LEU A 41 -4.386 -1.315 -3.870 1.00 0.00 C ATOM 468 CG LEU A 41 -3.270 -0.703 -3.034 1.00 0.00 C ATOM 469 CD1 LEU A 41 -3.580 0.496 -2.161 1.00 0.00 C ATOM 470 CD2 LEU A 41 -2.564 -1.723 -2.163 1.00 0.00 C ATOM 0 H LEU A 41 -6.155 -2.068 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.187 0.526 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.213 -1.579 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.023 -2.242 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.640 -0.324 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.677 0.806 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.937 1.317 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.349 0.229 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.779 -1.230 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.282 -2.177 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.123 -2.496 -2.792 1.00 0.00 H new ATOM 482 N ALA A 42 -3.742 -0.731 -7.071 1.00 0.00 N ATOM 483 CA ALA A 42 -2.865 -0.362 -8.175 1.00 0.00 C ATOM 484 C ALA A 42 -3.180 1.011 -8.730 1.00 0.00 C ATOM 485 O ALA A 42 -2.280 1.686 -9.243 1.00 0.00 O ATOM 486 CB ALA A 42 -3.060 -1.522 -9.143 1.00 0.00 C ATOM 0 H ALA A 42 -4.181 -1.647 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.817 -0.241 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.446 -1.364 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.766 -2.453 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.109 -1.580 -9.434 1.00 0.00 H new ATOM 492 N GLN A 43 -4.458 1.419 -8.712 1.00 0.00 N ATOM 493 CA GLN A 43 -4.916 2.740 -9.077 1.00 0.00 C ATOM 494 C GLN A 43 -4.572 3.793 -8.030 1.00 0.00 C ATOM 495 O GLN A 43 -4.144 4.914 -8.294 1.00 0.00 O ATOM 496 CB GLN A 43 -6.407 2.739 -9.378 1.00 0.00 C ATOM 497 CG GLN A 43 -6.715 1.733 -10.484 1.00 0.00 C ATOM 498 CD GLN A 43 -8.219 1.731 -10.745 1.00 0.00 C ATOM 499 OE1 GLN A 43 -8.980 2.669 -10.506 1.00 0.00 O ATOM 500 NE2 GLN A 43 -8.788 0.726 -11.399 1.00 0.00 N ATOM 0 H GLN A 43 -5.220 0.802 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.380 3.014 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.968 2.486 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.726 3.736 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.175 1.996 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.382 0.737 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.240 -0.099 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.773 0.778 -11.657 1.00 0.00 H new ATOM 509 N LYS A 44 -4.920 3.464 -6.786 1.00 0.00 N ATOM 510 CA LYS A 44 -4.894 4.434 -5.711 1.00 0.00 C ATOM 511 C LYS A 44 -3.462 4.887 -5.425 1.00 0.00 C ATOM 512 O LYS A 44 -3.323 5.751 -4.570 1.00 0.00 O ATOM 513 CB LYS A 44 -5.438 3.717 -4.483 1.00 0.00 C ATOM 514 CG LYS A 44 -6.901 4.093 -4.198 1.00 0.00 C ATOM 515 CD LYS A 44 -7.843 3.904 -5.394 1.00 0.00 C ATOM 516 CE LYS A 44 -9.250 4.323 -4.933 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.198 4.253 -6.052 1.00 0.00 N ATOM 0 H LYS A 44 -5.222 2.531 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.480 5.315 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.362 2.639 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.825 3.965 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.264 3.490 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.941 5.135 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.518 4.510 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.840 2.866 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.583 3.672 -4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.222 5.337 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.143 4.539 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.887 4.892 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.237 3.279 -6.414 1.00 0.00 H new ATOM 531 N LEU A 45 -2.437 4.324 -6.083 1.00 0.00 N ATOM 532 CA LEU A 45 -1.099 4.295 -5.534 1.00 0.00 C ATOM 533 C LEU A 45 -0.031 4.388 -6.615 1.00 0.00 C ATOM 534 O LEU A 45 1.188 4.480 -6.371 1.00 0.00 O ATOM 535 CB LEU A 45 -1.050 3.192 -4.472 1.00 0.00 C ATOM 536 CG LEU A 45 0.235 2.996 -3.665 1.00 0.00 C ATOM 537 CD1 LEU A 45 0.591 4.229 -2.830 1.00 0.00 C ATOM 538 CD2 LEU A 45 0.204 1.757 -2.791 1.00 0.00 C ATOM 0 H LEU A 45 -2.524 3.884 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.830 5.193 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.857 3.380 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.275 2.248 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 45 1.020 2.850 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.510 4.040 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.734 5.086 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.218 4.440 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.143 1.674 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.622 1.831 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.069 0.874 -3.416 1.00 0.00 H new ATOM 550 N LYS A 46 -0.492 4.461 -7.861 1.00 0.00 N ATOM 551 CA LYS A 46 0.344 4.468 -9.043 1.00 0.00 C ATOM 552 C LYS A 46 1.372 3.338 -9.029 1.00 0.00 C ATOM 553 O LYS A 46 2.566 3.631 -9.054 1.00 0.00 O ATOM 554 CB LYS A 46 0.890 5.870 -9.291 1.00 0.00 C ATOM 555 CG LYS A 46 -0.104 6.934 -9.710 1.00 0.00 C ATOM 556 CD LYS A 46 -1.201 7.385 -8.735 1.00 0.00 C ATOM 557 CE LYS A 46 -1.979 8.528 -9.378 1.00 0.00 C ATOM 558 NZ LYS A 46 -2.176 9.566 -8.356 1.00 0.00 N ATOM 0 H LYS A 46 -1.488 4.518 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.257 4.236 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.382 6.207 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.658 5.802 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.467 7.820 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.599 6.578 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.868 6.554 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.760 7.710 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.432 8.930 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.939 8.174 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.706 10.361 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.711 9.169 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.251 9.903 -8.020 1.00 0.00 H new ATOM 572 N VAL A 47 1.002 2.062 -8.945 1.00 0.00 N ATOM 573 CA VAL A 47 1.915 0.949 -8.794 1.00 0.00 C ATOM 574 C VAL A 47 1.323 -0.199 -9.603 1.00 0.00 C ATOM 575 O VAL A 47 0.111 -0.305 -9.813 1.00 0.00 O ATOM 576 CB VAL A 47 2.295 0.539 -7.377 1.00 0.00 C ATOM 577 CG1 VAL A 47 2.934 1.657 -6.550 1.00 0.00 C ATOM 578 CG2 VAL A 47 1.059 0.133 -6.583 1.00 0.00 C ATOM 0 H VAL A 47 0.025 1.773 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 47 2.888 1.269 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 47 3.007 -0.273 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.174 1.282 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.847 1.996 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.237 2.491 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.353 -0.156 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.367 0.973 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.572 -0.709 -7.074 1.00 0.00 H new ATOM 588 N SER A 48 2.076 -1.264 -9.867 1.00 0.00 N ATOM 589 CA SER A 48 1.558 -2.498 -10.420 1.00 0.00 C ATOM 590 C SER A 48 1.048 -3.357 -9.273 1.00 0.00 C ATOM 591 O SER A 48 1.391 -3.278 -8.083 1.00 0.00 O ATOM 592 CB SER A 48 2.657 -3.314 -11.083 1.00 0.00 C ATOM 593 OG SER A 48 3.648 -3.825 -10.229 1.00 0.00 O ATOM 0 H SER A 48 3.081 -1.287 -9.697 1.00 0.00 H new ATOM 0 HA SER A 48 0.786 -2.240 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.194 -4.149 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.140 -2.691 -11.835 1.00 0.00 H new ATOM 0 HG SER A 48 4.302 -4.333 -10.754 1.00 0.00 H new ATOM 599 N GLU A 49 0.202 -4.294 -9.705 1.00 0.00 N ATOM 600 CA GLU A 49 -0.296 -5.298 -8.803 1.00 0.00 C ATOM 601 C GLU A 49 0.814 -6.223 -8.318 1.00 0.00 C ATOM 602 O GLU A 49 0.653 -6.900 -7.301 1.00 0.00 O ATOM 603 CB GLU A 49 -1.205 -6.226 -9.607 1.00 0.00 C ATOM 604 CG GLU A 49 -2.668 -5.826 -9.501 1.00 0.00 C ATOM 605 CD GLU A 49 -3.567 -6.369 -10.611 1.00 0.00 C ATOM 606 OE1 GLU A 49 -3.956 -7.544 -10.395 1.00 0.00 O ATOM 607 OE2 GLU A 49 -3.828 -5.712 -11.637 1.00 0.00 O ATOM 0 H GLU A 49 -0.141 -4.367 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.774 -4.783 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.901 -6.213 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.083 -7.249 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.054 -6.168 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.733 -4.738 -9.501 1.00 0.00 H new ATOM 614 N ASN A 50 1.885 -6.472 -9.071 1.00 0.00 N ATOM 615 CA ASN A 50 3.072 -7.115 -8.530 1.00 0.00 C ATOM 616 C ASN A 50 3.801 -6.404 -7.410 1.00 0.00 C ATOM 617 O ASN A 50 4.308 -7.087 -6.525 1.00 0.00 O ATOM 618 CB ASN A 50 3.965 -7.461 -9.718 1.00 0.00 C ATOM 619 CG ASN A 50 5.385 -7.911 -9.395 1.00 0.00 C ATOM 620 OD1 ASN A 50 6.173 -7.323 -8.646 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.897 -8.949 -10.060 1.00 0.00 N ATOM 0 H ASN A 50 1.950 -6.235 -10.061 1.00 0.00 H new ATOM 0 HA ASN A 50 2.746 -8.007 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.479 -8.251 -10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.024 -6.587 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.876 -9.205 -9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.310 -9.486 -10.698 1.00 0.00 H new ATOM 628 N ILE A 51 3.880 -5.071 -7.423 1.00 0.00 N ATOM 629 CA ILE A 51 4.348 -4.340 -6.254 1.00 0.00 C ATOM 630 C ILE A 51 3.421 -4.648 -5.073 1.00 0.00 C ATOM 631 O ILE A 51 3.839 -4.687 -3.927 1.00 0.00 O ATOM 632 CB ILE A 51 4.361 -2.850 -6.568 1.00 0.00 C ATOM 633 CG1 ILE A 51 5.475 -2.623 -7.583 1.00 0.00 C ATOM 634 CG2 ILE A 51 4.534 -1.873 -5.409 1.00 0.00 C ATOM 635 CD1 ILE A 51 6.910 -2.717 -7.069 1.00 0.00 C ATOM 0 H ILE A 51 3.629 -4.487 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 51 5.361 -4.644 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 51 3.358 -2.623 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.355 -3.350 -8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.337 -1.635 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.523 -0.852 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.718 -2.004 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.484 -2.064 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.603 -2.536 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.067 -1.971 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.085 -3.712 -6.659 1.00 0.00 H new ATOM 647 N VAL A 52 2.118 -4.791 -5.298 1.00 0.00 N ATOM 648 CA VAL A 52 1.159 -5.058 -4.228 1.00 0.00 C ATOM 649 C VAL A 52 1.503 -6.349 -3.516 1.00 0.00 C ATOM 650 O VAL A 52 1.625 -6.401 -2.294 1.00 0.00 O ATOM 651 CB VAL A 52 -0.306 -4.847 -4.584 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.042 -5.071 -3.271 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.540 -3.428 -5.084 1.00 0.00 C ATOM 0 H VAL A 52 1.697 -4.725 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 52 1.277 -4.266 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.642 -5.514 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.113 -4.940 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.849 -6.082 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.692 -4.351 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.593 -3.299 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.261 -2.717 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.067 -3.250 -5.972 1.00 0.00 H new ATOM 663 N LYS A 53 1.837 -7.412 -4.263 1.00 0.00 N ATOM 664 CA LYS A 53 2.334 -8.687 -3.815 1.00 0.00 C ATOM 665 C LYS A 53 3.632 -8.550 -3.027 1.00 0.00 C ATOM 666 O LYS A 53 3.871 -9.294 -2.085 1.00 0.00 O ATOM 667 CB LYS A 53 2.387 -9.613 -5.039 1.00 0.00 C ATOM 668 CG LYS A 53 1.044 -10.101 -5.561 1.00 0.00 C ATOM 669 CD LYS A 53 0.905 -11.557 -5.963 1.00 0.00 C ATOM 670 CE LYS A 53 -0.508 -11.969 -6.390 1.00 0.00 C ATOM 671 NZ LYS A 53 -0.461 -13.313 -6.975 1.00 0.00 N ATOM 0 H LYS A 53 1.753 -7.381 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 53 1.667 -9.146 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.900 -9.089 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.995 -10.482 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.297 -9.897 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.785 -9.493 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.592 -11.761 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.214 -12.183 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.179 -11.956 -5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.904 -11.257 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.418 -13.598 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.167 -13.309 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.099 -13.986 -6.270 1.00 0.00 H new ATOM 685 N ARG A 54 4.531 -7.650 -3.393 1.00 0.00 N ATOM 686 CA ARG A 54 5.860 -7.365 -2.870 1.00 0.00 C ATOM 687 C ARG A 54 5.821 -6.615 -1.547 1.00 0.00 C ATOM 688 O ARG A 54 6.720 -6.885 -0.747 1.00 0.00 O ATOM 689 CB ARG A 54 6.700 -6.582 -3.868 1.00 0.00 C ATOM 690 CG ARG A 54 7.285 -7.530 -4.908 1.00 0.00 C ATOM 691 CD ARG A 54 8.278 -6.773 -5.783 1.00 0.00 C ATOM 692 NE ARG A 54 8.626 -7.594 -6.939 1.00 0.00 N ATOM 693 CZ ARG A 54 9.746 -7.533 -7.663 1.00 0.00 C ATOM 694 NH1 ARG A 54 10.761 -6.656 -7.510 1.00 0.00 N ATOM 695 NH2 ARG A 54 9.997 -8.379 -8.684 1.00 0.00 N ATOM 0 H ARG A 54 4.317 -7.019 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 54 6.322 -8.337 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.088 -5.824 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.502 -6.057 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.781 -8.366 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.488 -7.950 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.845 -5.828 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.174 -6.532 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 54 7.938 -8.291 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.716 -5.946 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.573 -6.703 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.318 -9.100 -8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.866 -8.298 -9.212 1.00 0.00 H new ATOM 709 N PHE A 55 4.718 -5.933 -1.234 1.00 0.00 N ATOM 710 CA PHE A 55 4.406 -5.372 0.069 1.00 0.00 C ATOM 711 C PHE A 55 3.842 -6.580 0.797 1.00 0.00 C ATOM 712 O PHE A 55 4.220 -6.748 1.949 1.00 0.00 O ATOM 713 CB PHE A 55 3.290 -4.359 -0.148 1.00 0.00 C ATOM 714 CG PHE A 55 3.676 -3.011 -0.717 1.00 0.00 C ATOM 715 CD1 PHE A 55 4.947 -2.808 -1.242 1.00 0.00 C ATOM 716 CD2 PHE A 55 2.645 -2.078 -0.741 1.00 0.00 C ATOM 717 CE1 PHE A 55 5.195 -1.531 -1.759 1.00 0.00 C ATOM 718 CE2 PHE A 55 2.914 -0.784 -1.220 1.00 0.00 C ATOM 719 CZ PHE A 55 4.196 -0.546 -1.722 1.00 0.00 C ATOM 0 H PHE A 55 3.986 -5.751 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 55 5.234 -4.892 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.553 -4.807 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.796 -4.192 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.696 -3.586 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.656 -2.343 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.159 -1.303 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.163 -0.008 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.428 0.439 -2.098 1.00 0.00 H new ATOM 729 N GLU A 56 2.915 -7.343 0.193 1.00 0.00 N ATOM 730 CA GLU A 56 2.079 -8.337 0.817 1.00 0.00 C ATOM 731 C GLU A 56 2.963 -9.326 1.554 1.00 0.00 C ATOM 732 O GLU A 56 2.439 -9.944 2.476 1.00 0.00 O ATOM 733 CB GLU A 56 1.130 -9.058 -0.134 1.00 0.00 C ATOM 734 CG GLU A 56 -0.218 -8.455 -0.487 1.00 0.00 C ATOM 735 CD GLU A 56 -0.969 -9.615 -1.114 1.00 0.00 C ATOM 736 OE1 GLU A 56 -0.699 -9.965 -2.300 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.916 -10.166 -0.516 1.00 0.00 O ATOM 0 H GLU A 56 2.732 -7.263 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 56 1.423 -7.809 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.668 -9.211 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.940 -10.044 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.731 -8.074 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.116 -7.621 -1.181 1.00 0.00 H new ATOM 744 N SER A 57 4.201 -9.438 1.074 1.00 0.00 N ATOM 745 CA SER A 57 5.201 -10.382 1.529 1.00 0.00 C ATOM 746 C SER A 57 6.297 -9.765 2.383 1.00 0.00 C ATOM 747 O SER A 57 7.020 -10.526 3.026 1.00 0.00 O ATOM 748 CB SER A 57 5.858 -10.998 0.289 1.00 0.00 C ATOM 749 OG SER A 57 6.177 -10.025 -0.674 1.00 0.00 O ATOM 0 H SER A 57 4.543 -8.841 0.321 1.00 0.00 H new ATOM 0 HA SER A 57 4.689 -11.113 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.764 -11.528 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.186 -11.736 -0.149 1.00 0.00 H new ATOM 0 HG SER A 57 5.377 -9.809 -1.198 1.00 0.00 H new ATOM 755 N GLY A 58 6.445 -8.440 2.405 1.00 0.00 N ATOM 756 CA GLY A 58 7.590 -7.746 2.959 1.00 0.00 C ATOM 757 C GLY A 58 8.888 -7.776 2.157 1.00 0.00 C ATOM 758 O GLY A 58 9.877 -7.403 2.783 1.00 0.00 O ATOM 0 H GLY A 58 5.743 -7.806 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.311 -6.703 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.794 -8.166 3.944 1.00 0.00 H new ATOM 762 N LYS A 59 8.854 -8.094 0.863 1.00 0.00 N ATOM 763 CA LYS A 59 9.999 -8.066 -0.008 1.00 0.00 C ATOM 764 C LYS A 59 10.432 -6.655 -0.404 1.00 0.00 C ATOM 765 O LYS A 59 11.570 -6.575 -0.836 1.00 0.00 O ATOM 766 CB LYS A 59 9.749 -9.000 -1.188 1.00 0.00 C ATOM 767 CG LYS A 59 9.953 -10.445 -0.724 1.00 0.00 C ATOM 768 CD LYS A 59 10.043 -11.394 -1.902 1.00 0.00 C ATOM 769 CE LYS A 59 10.098 -12.890 -1.543 1.00 0.00 C ATOM 770 NZ LYS A 59 10.267 -13.822 -2.660 1.00 0.00 N ATOM 0 H LYS A 59 7.998 -8.385 0.391 1.00 0.00 H new ATOM 0 HA LYS A 59 10.865 -8.439 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.737 -8.865 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.431 -8.766 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.864 -10.513 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.127 -10.742 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.183 -11.225 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.932 -11.144 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.919 -13.043 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.179 -13.149 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.290 -14.797 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.472 -13.717 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.159 -13.615 -3.153 1.00 0.00 H new ATOM 784 N LEU A 60 9.538 -5.666 -0.262 1.00 0.00 N ATOM 785 CA LEU A 60 9.684 -4.245 -0.516 1.00 0.00 C ATOM 786 C LEU A 60 8.846 -3.390 0.433 1.00 0.00 C ATOM 787 O LEU A 60 7.819 -3.893 0.885 1.00 0.00 O ATOM 788 CB LEU A 60 9.027 -4.029 -1.881 1.00 0.00 C ATOM 789 CG LEU A 60 8.976 -2.629 -2.454 1.00 0.00 C ATOM 790 CD1 LEU A 60 10.322 -1.926 -2.571 1.00 0.00 C ATOM 791 CD2 LEU A 60 8.524 -2.561 -3.913 1.00 0.00 C ATOM 0 H LEU A 60 8.597 -5.877 0.070 1.00 0.00 H new ATOM 0 HA LEU A 60 10.735 -3.973 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.547 -4.661 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.003 -4.396 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 60 8.294 -2.170 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.177 -0.931 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.775 -1.840 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.979 -2.503 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.516 -1.522 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.212 -3.134 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.521 -2.978 -4.003 1.00 0.00 H new ATOM 803 N LYS A 61 9.343 -2.196 0.738 1.00 0.00 N ATOM 804 CA LYS A 61 8.630 -1.138 1.424 1.00 0.00 C ATOM 805 C LYS A 61 8.154 0.093 0.669 1.00 0.00 C ATOM 806 O LYS A 61 8.827 0.531 -0.272 1.00 0.00 O ATOM 807 CB LYS A 61 9.564 -0.669 2.540 1.00 0.00 C ATOM 808 CG LYS A 61 10.021 -1.696 3.578 1.00 0.00 C ATOM 809 CD LYS A 61 10.868 -1.052 4.665 1.00 0.00 C ATOM 810 CE LYS A 61 11.012 -2.004 5.851 1.00 0.00 C ATOM 811 NZ LYS A 61 11.797 -1.623 7.032 1.00 0.00 N ATOM 0 H LYS A 61 10.299 -1.933 0.500 1.00 0.00 H new ATOM 0 HA LYS A 61 7.685 -1.600 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.455 -0.247 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.067 0.143 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.150 -2.172 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.595 -2.481 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.852 -0.800 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.408 -0.119 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.005 -2.238 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.440 -2.930 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.777 -2.397 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.780 -1.436 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.390 -0.765 7.457 1.00 0.00 H new ATOM 825 N PRO A 62 7.038 0.728 1.001 1.00 0.00 N ATOM 826 CA PRO A 62 6.523 1.943 0.402 1.00 0.00 C ATOM 827 C PRO A 62 7.450 3.136 0.516 1.00 0.00 C ATOM 828 O PRO A 62 8.320 3.232 1.392 1.00 0.00 O ATOM 829 CB PRO A 62 5.239 2.288 1.148 1.00 0.00 C ATOM 830 CG PRO A 62 5.195 1.440 2.420 1.00 0.00 C ATOM 831 CD PRO A 62 6.139 0.301 2.065 1.00 0.00 C ATOM 0 HA PRO A 62 6.387 1.752 -0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.214 3.349 1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.369 2.086 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.535 1.996 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.189 1.084 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.713 0.003 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.569 -0.572 1.746 1.00 0.00 H new ATOM 839 N THR A 63 7.242 4.013 -0.462 1.00 0.00 N ATOM 840 CA THR A 63 8.041 5.210 -0.619 1.00 0.00 C ATOM 841 C THR A 63 7.366 6.457 -0.044 1.00 0.00 C ATOM 842 O THR A 63 6.327 6.365 0.608 1.00 0.00 O ATOM 843 CB THR A 63 8.558 5.401 -2.023 1.00 0.00 C ATOM 844 OG1 THR A 63 7.404 5.607 -2.828 1.00 0.00 O ATOM 845 CG2 THR A 63 9.405 4.232 -2.507 1.00 0.00 C ATOM 0 H THR A 63 6.512 3.907 -1.166 1.00 0.00 H new ATOM 0 HA THR A 63 8.930 5.053 -0.008 1.00 0.00 H new ATOM 0 HB THR A 63 9.237 6.252 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.675 5.740 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.748 4.427 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.266 4.110 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.808 3.320 -2.495 1.00 0.00 H new ATOM 853 N ILE A 64 7.935 7.644 -0.235 1.00 0.00 N ATOM 854 CA ILE A 64 7.466 8.967 0.095 1.00 0.00 C ATOM 855 C ILE A 64 6.055 9.306 -0.368 1.00 0.00 C ATOM 856 O ILE A 64 5.111 9.367 0.418 1.00 0.00 O ATOM 857 CB ILE A 64 8.527 9.970 -0.360 1.00 0.00 C ATOM 858 CG1 ILE A 64 8.100 11.378 0.046 1.00 0.00 C ATOM 859 CG2 ILE A 64 8.942 9.950 -1.826 1.00 0.00 C ATOM 860 CD1 ILE A 64 9.158 12.445 -0.249 1.00 0.00 C ATOM 0 H ILE A 64 8.851 7.695 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 64 7.345 9.018 1.177 1.00 0.00 H new ATOM 0 HB ILE A 64 9.431 9.643 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.180 11.635 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.873 11.387 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.699 10.714 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.351 8.971 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.073 10.151 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.788 13.421 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.072 12.211 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.368 12.463 -1.318 1.00 0.00 H new ATOM 872 N SER A 65 5.765 9.512 -1.647 1.00 0.00 N ATOM 873 CA SER A 65 4.416 9.688 -2.176 1.00 0.00 C ATOM 874 C SER A 65 3.529 8.510 -1.812 1.00 0.00 C ATOM 875 O SER A 65 2.302 8.614 -1.810 1.00 0.00 O ATOM 876 CB SER A 65 4.352 9.818 -3.688 1.00 0.00 C ATOM 877 OG SER A 65 5.094 8.795 -4.298 1.00 0.00 O ATOM 0 H SER A 65 6.484 9.563 -2.368 1.00 0.00 H new ATOM 0 HA SER A 65 4.074 10.619 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.315 9.771 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.741 10.790 -3.993 1.00 0.00 H new ATOM 0 HG SER A 65 5.043 8.890 -5.272 1.00 0.00 H new ATOM 883 N GLN A 66 4.131 7.356 -1.529 1.00 0.00 N ATOM 884 CA GLN A 66 3.379 6.134 -1.326 1.00 0.00 C ATOM 885 C GLN A 66 2.892 6.125 0.123 1.00 0.00 C ATOM 886 O GLN A 66 1.665 6.113 0.160 1.00 0.00 O ATOM 887 CB GLN A 66 4.192 4.882 -1.629 1.00 0.00 C ATOM 888 CG GLN A 66 4.288 4.701 -3.153 1.00 0.00 C ATOM 889 CD GLN A 66 5.189 3.525 -3.501 1.00 0.00 C ATOM 890 OE1 GLN A 66 5.393 2.580 -2.753 1.00 0.00 O ATOM 891 NE2 GLN A 66 5.701 3.456 -4.728 1.00 0.00 N ATOM 0 H GLN A 66 5.141 7.249 -1.436 1.00 0.00 H new ATOM 0 HA GLN A 66 2.540 6.116 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.189 4.967 -1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.722 4.009 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.293 4.538 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.678 5.611 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.555 4.222 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.239 2.637 -5.011 1.00 0.00 H new ATOM 900 N ALA A 67 3.749 6.282 1.139 1.00 0.00 N ATOM 901 CA ALA A 67 3.434 6.544 2.526 1.00 0.00 C ATOM 902 C ALA A 67 2.356 7.625 2.653 1.00 0.00 C ATOM 903 O ALA A 67 1.326 7.341 3.274 1.00 0.00 O ATOM 904 CB ALA A 67 4.649 7.066 3.261 1.00 0.00 C ATOM 0 H ALA A 67 4.756 6.222 0.988 1.00 0.00 H new ATOM 0 HA ALA A 67 3.090 5.600 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.390 7.257 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.448 6.326 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.986 7.992 2.796 1.00 0.00 H new ATOM 910 N ARG A 68 2.522 8.767 1.998 1.00 0.00 N ATOM 911 CA ARG A 68 1.525 9.811 1.829 1.00 0.00 C ATOM 912 C ARG A 68 0.205 9.315 1.228 1.00 0.00 C ATOM 913 O ARG A 68 -0.896 9.641 1.657 1.00 0.00 O ATOM 914 CB ARG A 68 2.138 10.923 1.000 1.00 0.00 C ATOM 915 CG ARG A 68 1.738 12.258 1.606 1.00 0.00 C ATOM 916 CD ARG A 68 0.262 12.607 1.712 1.00 0.00 C ATOM 917 NE ARG A 68 -0.446 12.119 2.897 1.00 0.00 N ATOM 918 CZ ARG A 68 -1.751 12.283 3.159 1.00 0.00 C ATOM 919 NH1 ARG A 68 -2.681 12.618 2.263 1.00 0.00 N ATOM 920 NH2 ARG A 68 -2.106 12.020 4.421 1.00 0.00 N ATOM 0 H ARG A 68 3.406 9.000 1.546 1.00 0.00 H new ATOM 0 HA ARG A 68 1.250 10.181 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.224 10.826 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.794 10.858 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.160 12.303 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.220 13.042 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.166 13.692 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.244 12.217 0.829 1.00 0.00 H new ATOM 0 HE ARG A 68 0.104 11.607 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.419 12.771 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.654 12.721 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.403 11.721 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.080 12.119 4.708 1.00 0.00 H new ATOM 934 N GLN A 69 0.204 8.665 0.077 1.00 0.00 N ATOM 935 CA GLN A 69 -1.001 8.210 -0.580 1.00 0.00 C ATOM 936 C GLN A 69 -1.730 7.085 0.146 1.00 0.00 C ATOM 937 O GLN A 69 -2.958 6.992 0.087 1.00 0.00 O ATOM 938 CB GLN A 69 -0.684 7.784 -2.014 1.00 0.00 C ATOM 939 CG GLN A 69 -0.773 8.990 -2.946 1.00 0.00 C ATOM 940 CD GLN A 69 -0.325 8.470 -4.295 1.00 0.00 C ATOM 941 OE1 GLN A 69 -1.080 8.247 -5.242 1.00 0.00 O ATOM 942 NE2 GLN A 69 0.997 8.353 -4.423 1.00 0.00 N ATOM 0 H GLN A 69 1.057 8.437 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.683 9.061 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.315 7.350 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.383 7.012 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.789 9.381 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.133 9.803 -2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.605 8.542 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.400 8.074 -5.318 1.00 0.00 H new ATOM 951 N LEU A 70 -1.029 6.208 0.864 1.00 0.00 N ATOM 952 CA LEU A 70 -1.448 5.236 1.843 1.00 0.00 C ATOM 953 C LEU A 70 -2.208 5.999 2.917 1.00 0.00 C ATOM 954 O LEU A 70 -3.385 5.752 3.075 1.00 0.00 O ATOM 955 CB LEU A 70 -0.229 4.430 2.307 1.00 0.00 C ATOM 956 CG LEU A 70 0.262 3.420 1.277 1.00 0.00 C ATOM 957 CD1 LEU A 70 1.705 2.978 1.548 1.00 0.00 C ATOM 958 CD2 LEU A 70 -0.675 2.230 1.172 1.00 0.00 C ATOM 0 H LEU A 70 -0.017 6.168 0.746 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.131 4.478 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.582 5.118 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.481 3.904 3.228 1.00 0.00 H new ATOM 0 HG LEU A 70 0.260 3.925 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.014 2.258 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.364 3.846 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.765 2.515 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.293 1.531 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.740 1.731 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.666 2.572 0.873 1.00 0.00 H new ATOM 970 N GLU A 71 -1.494 6.841 3.681 1.00 0.00 N ATOM 971 CA GLU A 71 -1.922 7.747 4.724 1.00 0.00 C ATOM 972 C GLU A 71 -3.178 8.490 4.294 1.00 0.00 C ATOM 973 O GLU A 71 -3.988 8.805 5.163 1.00 0.00 O ATOM 974 CB GLU A 71 -0.779 8.709 5.037 1.00 0.00 C ATOM 975 CG GLU A 71 -1.117 9.353 6.384 1.00 0.00 C ATOM 976 CD GLU A 71 -0.064 10.369 6.775 1.00 0.00 C ATOM 977 OE1 GLU A 71 -0.085 11.496 6.230 1.00 0.00 O ATOM 978 OE2 GLU A 71 0.795 10.159 7.653 1.00 0.00 O ATOM 0 H GLU A 71 -0.483 6.898 3.555 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.170 7.190 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.172 8.179 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.682 9.465 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.092 9.837 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.189 8.583 7.152 1.00 0.00 H new ATOM 985 N LYS A 72 -3.394 8.738 2.998 1.00 0.00 N ATOM 986 CA LYS A 72 -4.527 9.512 2.564 1.00 0.00 C ATOM 987 C LYS A 72 -5.854 8.756 2.631 1.00 0.00 C ATOM 988 O LYS A 72 -6.856 9.449 2.741 1.00 0.00 O ATOM 989 CB LYS A 72 -4.271 9.800 1.090 1.00 0.00 C ATOM 990 CG LYS A 72 -5.303 10.711 0.416 1.00 0.00 C ATOM 991 CD LYS A 72 -4.921 10.965 -1.026 1.00 0.00 C ATOM 992 CE LYS A 72 -5.720 11.941 -1.891 1.00 0.00 C ATOM 993 NZ LYS A 72 -5.215 12.131 -3.255 1.00 0.00 N ATOM 0 H LYS A 72 -2.792 8.408 2.244 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.617 10.386 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.286 10.257 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.239 8.853 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.289 10.250 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.368 11.657 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.887 11.310 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.936 10.001 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.750 11.589 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.741 12.909 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.823 12.808 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.243 12.499 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.221 11.220 -3.757 1.00 0.00 H new ATOM 1007 N ILE A 73 -5.901 7.416 2.575 1.00 0.00 N ATOM 1008 CA ILE A 73 -7.044 6.635 2.981 1.00 0.00 C ATOM 1009 C ILE A 73 -7.011 6.509 4.501 1.00 0.00 C ATOM 1010 O ILE A 73 -8.055 6.759 5.121 1.00 0.00 O ATOM 1011 CB ILE A 73 -7.047 5.316 2.205 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -7.506 5.595 0.773 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -8.061 4.365 2.825 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -6.614 4.994 -0.310 1.00 0.00 C ATOM 0 H ILE A 73 -5.123 6.849 2.238 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.996 7.107 2.737 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.048 4.881 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.517 5.208 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.557 6.674 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.064 3.425 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.793 4.174 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.054 4.813 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.016 5.243 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.606 5.399 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.582 3.911 -0.195 1.00 0.00 H new ATOM 1026 N LEU A 74 -5.852 6.212 5.070 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.754 5.528 6.342 1.00 0.00 C ATOM 1028 C LEU A 74 -6.061 6.514 7.474 1.00 0.00 C ATOM 1029 O LEU A 74 -6.859 6.280 8.368 1.00 0.00 O ATOM 1030 CB LEU A 74 -4.387 4.849 6.384 1.00 0.00 C ATOM 1031 CG LEU A 74 -4.192 3.754 5.333 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -2.715 3.367 5.388 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -5.059 2.527 5.616 1.00 0.00 C ATOM 0 H LEU A 74 -4.949 6.442 4.655 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.493 4.737 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.615 5.606 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.240 4.416 7.374 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.487 4.122 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.516 2.585 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.102 4.239 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.472 3.000 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.888 1.775 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.798 2.114 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.110 2.816 5.615 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.494 7.722 7.380 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.592 8.657 8.488 1.00 0.00 C ATOM 1047 C GLY A 75 -4.890 8.136 9.734 1.00 0.00 C ATOM 1048 O GLY A 75 -4.857 8.853 10.729 1.00 0.00 O ATOM 0 H GLY A 75 -4.978 8.062 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.154 9.612 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.642 8.843 8.714 1.00 0.00 H new ATOM 1052 N ILE A 76 -4.379 6.903 9.704 1.00 0.00 N ATOM 1053 CA ILE A 76 -3.519 6.342 10.718 1.00 0.00 C ATOM 1054 C ILE A 76 -2.091 6.367 10.225 1.00 0.00 C ATOM 1055 O ILE A 76 -1.901 6.604 9.025 1.00 0.00 O ATOM 1056 CB ILE A 76 -4.020 4.942 11.089 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -4.095 3.949 9.937 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -5.365 4.969 11.809 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -3.848 2.479 10.295 1.00 0.00 C ATOM 0 H ILE A 76 -4.567 6.254 8.940 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.545 6.933 11.633 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.244 4.583 11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.081 4.029 9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.367 4.245 9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.671 3.950 12.047 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.273 5.545 12.730 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.113 5.431 11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.927 1.867 9.396 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.850 2.371 10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.591 2.152 11.023 1.00 0.00 H new ATOM 1071 N LYS A 77 -1.180 6.049 11.148 1.00 0.00 N ATOM 1072 CA LYS A 77 0.234 5.773 10.974 1.00 0.00 C ATOM 1073 C LYS A 77 0.722 5.080 12.250 1.00 0.00 C ATOM 1074 O LYS A 77 0.057 5.128 13.272 1.00 0.00 O ATOM 1075 CB LYS A 77 1.041 7.030 10.714 1.00 0.00 C ATOM 1076 CG LYS A 77 0.986 8.208 11.680 1.00 0.00 C ATOM 1077 CD LYS A 77 1.751 9.417 11.173 1.00 0.00 C ATOM 1078 CE LYS A 77 1.778 10.608 12.129 1.00 0.00 C ATOM 1079 NZ LYS A 77 2.799 10.367 13.162 1.00 0.00 N ATOM 0 H LYS A 77 -1.448 5.973 12.129 1.00 0.00 H new ATOM 0 HA LYS A 77 0.372 5.138 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.086 6.729 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.743 7.405 9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.054 8.486 11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.395 7.902 12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.777 9.117 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.311 9.738 10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.003 11.524 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.800 10.743 12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.825 11.173 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.564 9.500 13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.730 10.257 12.711 1.00 0.00 H new ATOM 1093 N LEU A 78 1.983 4.616 12.305 1.00 0.00 N ATOM 1094 CA LEU A 78 2.583 4.027 13.480 1.00 0.00 C ATOM 1095 C LEU A 78 3.967 4.608 13.676 1.00 0.00 C ATOM 1096 O LEU A 78 4.587 5.173 12.779 1.00 0.00 O ATOM 1097 CB LEU A 78 2.432 2.500 13.470 1.00 0.00 C ATOM 1098 CG LEU A 78 1.089 1.973 13.990 1.00 0.00 C ATOM 1099 CD1 LEU A 78 0.980 0.457 13.948 1.00 0.00 C ATOM 1100 CD2 LEU A 78 0.709 2.352 15.422 1.00 0.00 C ATOM 0 H LEU A 78 2.615 4.648 11.505 1.00 0.00 H new ATOM 0 HA LEU A 78 2.053 4.296 14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.573 2.144 12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.231 2.068 14.072 1.00 0.00 H new ATOM 0 HG LEU A 78 0.411 2.468 13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.006 0.152 14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.091 0.113 12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.765 0.019 14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.260 1.919 15.668 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.462 1.971 16.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.654 3.437 15.509 1.00 0.00 H new