USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 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 155:sc= 0.0912 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 24 SER OG : rot 174:sc= -0.589 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= -0.0612 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 108:sc= 0.281 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.97) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0789) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00967 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.583 USER MOD Single : A 62 SER OG : rot 55:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.03 X(o=-1,f=-0.99) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -166:sc= -4.31! USER MOD Single : A 74 ASN : amide:sc= -5.39! C(o=-5.4!,f=-8.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.898 16.023 4.449 1.00 0.00 N ATOM 163 CA SER A 15 -1.324 14.885 5.158 1.00 0.00 C ATOM 164 C SER A 15 -0.593 13.956 4.194 1.00 0.00 C ATOM 165 O SER A 15 -1.196 13.388 3.283 1.00 0.00 O ATOM 166 CB SER A 15 -2.418 14.113 5.897 1.00 0.00 C ATOM 167 OG SER A 15 -1.860 13.149 6.772 1.00 0.00 O ATOM 0 HA SER A 15 -0.605 15.266 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.038 14.808 6.464 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.070 13.620 5.176 1.00 0.00 H new ATOM 0 HG SER A 15 -2.496 12.954 7.492 1.00 0.00 H new ATOM 173 N LYS A 16 0.711 13.807 4.400 1.00 0.00 N ATOM 174 CA LYS A 16 1.527 12.947 3.551 1.00 0.00 C ATOM 175 C LYS A 16 1.451 11.495 4.014 1.00 0.00 C ATOM 176 O LYS A 16 1.740 10.573 3.251 1.00 0.00 O ATOM 177 CB LYS A 16 2.983 13.420 3.560 1.00 0.00 C ATOM 178 CG LYS A 16 3.763 12.964 4.781 1.00 0.00 C ATOM 179 CD LYS A 16 5.098 13.682 4.888 1.00 0.00 C ATOM 180 CE LYS A 16 5.716 13.505 6.267 1.00 0.00 C ATOM 181 NZ LYS A 16 7.051 14.158 6.364 1.00 0.00 N ATOM 0 H LYS A 16 1.226 14.271 5.148 1.00 0.00 H new ATOM 0 HA LYS A 16 1.138 13.007 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.481 13.052 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.003 14.509 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.175 13.150 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.930 11.888 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.781 13.298 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.959 14.744 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.050 13.926 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.815 12.442 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.439 14.015 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.694 13.739 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.953 15.177 6.179 1.00 0.00 H new ATOM 195 N THR A 17 1.058 11.299 5.269 1.00 0.00 N ATOM 196 CA THR A 17 0.943 9.960 5.833 1.00 0.00 C ATOM 197 C THR A 17 -0.423 9.353 5.535 1.00 0.00 C ATOM 198 O THR A 17 -1.458 9.955 5.825 1.00 0.00 O ATOM 199 CB THR A 17 1.165 9.972 7.357 1.00 0.00 C ATOM 200 OG1 THR A 17 2.478 10.457 7.658 1.00 0.00 O ATOM 201 CG2 THR A 17 0.988 8.578 7.941 1.00 0.00 C ATOM 0 H THR A 17 0.814 12.051 5.914 1.00 0.00 H new ATOM 0 HA THR A 17 1.717 9.352 5.365 1.00 0.00 H new ATOM 0 HB THR A 17 0.423 10.633 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.610 10.463 8.629 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.150 8.612 9.018 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.022 8.223 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.710 7.899 7.487 1.00 0.00 H new ATOM 209 N LEU A 18 -0.421 8.158 4.954 1.00 0.00 N ATOM 210 CA LEU A 18 -1.661 7.469 4.617 1.00 0.00 C ATOM 211 C LEU A 18 -1.931 6.327 5.591 1.00 0.00 C ATOM 212 O LEU A 18 -1.004 5.684 6.083 1.00 0.00 O ATOM 213 CB LEU A 18 -1.595 6.930 3.187 1.00 0.00 C ATOM 214 CG LEU A 18 -1.013 7.878 2.138 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.842 7.163 0.807 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.901 9.104 1.976 1.00 0.00 C ATOM 0 H LEU A 18 0.426 7.646 4.707 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.478 8.186 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.000 6.016 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.603 6.653 2.878 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.031 8.207 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.427 7.854 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.166 6.317 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.811 6.804 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.472 9.768 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.896 8.793 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.972 9.630 2.928 1.00 0.00 H new ATOM 228 N VAL A 19 -3.208 6.077 5.863 1.00 0.00 N ATOM 229 CA VAL A 19 -3.601 5.010 6.775 1.00 0.00 C ATOM 230 C VAL A 19 -4.284 3.871 6.027 1.00 0.00 C ATOM 231 O VAL A 19 -5.373 4.039 5.476 1.00 0.00 O ATOM 232 CB VAL A 19 -4.550 5.530 7.872 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.812 4.449 8.909 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.976 6.778 8.525 1.00 0.00 C ATOM 0 H VAL A 19 -3.988 6.599 5.464 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.688 4.639 7.240 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.501 5.794 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.484 4.835 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.270 3.585 8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.870 4.151 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.659 7.132 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.011 6.543 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.846 7.555 7.772 1.00 0.00 H new ATOM 244 N LEU A 20 -3.637 2.710 6.011 1.00 0.00 N ATOM 245 CA LEU A 20 -4.182 1.541 5.330 1.00 0.00 C ATOM 246 C LEU A 20 -5.074 0.732 6.266 1.00 0.00 C ATOM 247 O LEU A 20 -4.745 0.534 7.436 1.00 0.00 O ATOM 248 CB LEU A 20 -3.048 0.661 4.801 1.00 0.00 C ATOM 249 CG LEU A 20 -3.441 -0.381 3.752 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.278 -0.656 2.811 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.901 -1.666 4.423 1.00 0.00 C ATOM 0 H LEU A 20 -2.735 2.554 6.461 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.787 1.888 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.282 1.308 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.592 0.144 5.645 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.270 0.016 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.576 -1.400 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.994 0.266 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.429 -1.032 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.177 -2.396 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.092 -2.067 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.764 -1.458 5.055 1.00 0.00 H new ATOM 263 N SER A 21 -6.203 0.265 5.743 1.00 0.00 N ATOM 264 CA SER A 21 -7.144 -0.522 6.532 1.00 0.00 C ATOM 265 C SER A 21 -7.541 -1.795 5.793 1.00 0.00 C ATOM 266 O SER A 21 -7.603 -1.819 4.564 1.00 0.00 O ATOM 267 CB SER A 21 -8.390 0.306 6.853 1.00 0.00 C ATOM 268 OG SER A 21 -8.151 1.190 7.935 1.00 0.00 O ATOM 0 H SER A 21 -6.489 0.418 4.776 1.00 0.00 H new ATOM 0 HA SER A 21 -6.653 -0.803 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.688 0.876 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.219 -0.358 7.098 1.00 0.00 H new ATOM 0 HG SER A 21 -8.962 1.709 8.119 1.00 0.00 H new ATOM 274 N ASN A 22 -7.811 -2.853 6.551 1.00 0.00 N ATOM 275 CA ASN A 22 -8.203 -4.131 5.969 1.00 0.00 C ATOM 276 C ASN A 22 -7.003 -4.832 5.339 1.00 0.00 C ATOM 277 O ASN A 22 -7.117 -5.452 4.281 1.00 0.00 O ATOM 278 CB ASN A 22 -9.296 -3.924 4.919 1.00 0.00 C ATOM 279 CG ASN A 22 -10.053 -5.201 4.613 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.076 -5.493 5.233 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.553 -5.969 3.652 1.00 0.00 N ATOM 0 H ASN A 22 -7.765 -2.850 7.570 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.592 -4.762 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.995 -3.166 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.847 -3.542 4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.020 -6.841 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.702 -5.687 3.165 1.00 0.00 H new ATOM 288 N LEU A 23 -5.853 -4.731 5.997 1.00 0.00 N ATOM 289 CA LEU A 23 -4.631 -5.356 5.502 1.00 0.00 C ATOM 290 C LEU A 23 -4.593 -6.837 5.862 1.00 0.00 C ATOM 291 O LEU A 23 -4.865 -7.216 7.001 1.00 0.00 O ATOM 292 CB LEU A 23 -3.404 -4.647 6.077 1.00 0.00 C ATOM 293 CG LEU A 23 -2.113 -4.775 5.267 1.00 0.00 C ATOM 294 CD1 LEU A 23 -0.987 -3.998 5.930 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.730 -6.239 5.103 1.00 0.00 C ATOM 0 H LEU A 23 -5.741 -4.223 6.874 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.619 -5.265 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.638 -3.588 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.221 -5.036 7.079 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.284 -4.352 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.077 -4.101 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.260 -2.945 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.815 -4.390 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.809 -6.312 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.578 -6.687 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.528 -6.768 4.582 1.00 0.00 H new ATOM 307 N SER A 24 -4.251 -7.670 4.885 1.00 0.00 N ATOM 308 CA SER A 24 -4.178 -9.111 5.098 1.00 0.00 C ATOM 309 C SER A 24 -2.890 -9.488 5.824 1.00 0.00 C ATOM 310 O SER A 24 -1.807 -9.018 5.475 1.00 0.00 O ATOM 311 CB SER A 24 -4.259 -9.851 3.761 1.00 0.00 C ATOM 312 OG SER A 24 -5.604 -10.128 3.413 1.00 0.00 O ATOM 0 H SER A 24 -4.020 -7.372 3.937 1.00 0.00 H new ATOM 0 HA SER A 24 -5.024 -9.405 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.794 -9.249 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.697 -10.783 3.823 1.00 0.00 H new ATOM 0 HG SER A 24 -5.636 -10.513 2.512 1.00 0.00 H new ATOM 318 N TYR A 25 -3.016 -10.339 6.835 1.00 0.00 N ATOM 319 CA TYR A 25 -1.864 -10.779 7.613 1.00 0.00 C ATOM 320 C TYR A 25 -0.771 -11.330 6.702 1.00 0.00 C ATOM 321 O TYR A 25 0.417 -11.234 7.011 1.00 0.00 O ATOM 322 CB TYR A 25 -2.283 -11.844 8.628 1.00 0.00 C ATOM 323 CG TYR A 25 -3.680 -11.647 9.170 1.00 0.00 C ATOM 324 CD1 TYR A 25 -3.935 -10.710 10.164 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.746 -12.398 8.689 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.210 -10.526 10.663 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.024 -12.220 9.181 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.252 -11.284 10.168 1.00 0.00 C ATOM 329 OH TYR A 25 -7.524 -11.105 10.662 1.00 0.00 O ATOM 0 H TYR A 25 -3.905 -10.739 7.136 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.467 -9.916 8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.219 -12.826 8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.576 -11.841 9.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.122 -10.115 10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.572 -13.133 7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.390 -9.793 11.436 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.841 -12.811 8.795 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.141 -11.715 10.207 1.00 0.00 H new ATOM 339 N SER A 26 -1.182 -11.908 5.578 1.00 0.00 N ATOM 340 CA SER A 26 -0.239 -12.478 4.623 1.00 0.00 C ATOM 341 C SER A 26 0.578 -11.382 3.945 1.00 0.00 C ATOM 342 O SER A 26 1.676 -11.629 3.448 1.00 0.00 O ATOM 343 CB SER A 26 -0.983 -13.301 3.569 1.00 0.00 C ATOM 344 OG SER A 26 -0.162 -14.335 3.056 1.00 0.00 O ATOM 0 H SER A 26 -2.161 -11.994 5.306 1.00 0.00 H new ATOM 0 HA SER A 26 0.443 -13.130 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.883 -13.731 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.305 -12.650 2.756 1.00 0.00 H new ATOM 0 HG SER A 26 -0.661 -14.847 2.386 1.00 0.00 H new ATOM 350 N ALA A 27 0.032 -10.170 3.930 1.00 0.00 N ATOM 351 CA ALA A 27 0.710 -9.035 3.316 1.00 0.00 C ATOM 352 C ALA A 27 1.614 -8.327 4.319 1.00 0.00 C ATOM 353 O ALA A 27 1.244 -8.136 5.478 1.00 0.00 O ATOM 354 CB ALA A 27 -0.308 -8.062 2.740 1.00 0.00 C ATOM 0 H ALA A 27 -0.877 -9.949 4.336 1.00 0.00 H new ATOM 0 HA ALA A 27 1.336 -9.411 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.212 -7.219 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.909 -8.569 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.957 -7.700 3.537 1.00 0.00 H new ATOM 360 N THR A 28 2.803 -7.939 3.867 1.00 0.00 N ATOM 361 CA THR A 28 3.760 -7.254 4.726 1.00 0.00 C ATOM 362 C THR A 28 4.397 -6.072 4.005 1.00 0.00 C ATOM 363 O THR A 28 4.163 -5.859 2.816 1.00 0.00 O ATOM 364 CB THR A 28 4.871 -8.209 5.202 1.00 0.00 C ATOM 365 OG1 THR A 28 5.785 -8.470 4.132 1.00 0.00 O ATOM 366 CG2 THR A 28 4.281 -9.518 5.703 1.00 0.00 C ATOM 0 H THR A 28 3.126 -8.088 2.911 1.00 0.00 H new ATOM 0 HA THR A 28 3.206 -6.893 5.592 1.00 0.00 H new ATOM 0 HB THR A 28 5.403 -7.731 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.489 -9.076 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.084 -10.176 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.609 -9.318 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.726 -9.999 4.897 1.00 0.00 H new ATOM 374 N GLU A 29 5.204 -5.305 4.732 1.00 0.00 N ATOM 375 CA GLU A 29 5.874 -4.144 4.160 1.00 0.00 C ATOM 376 C GLU A 29 6.410 -4.457 2.766 1.00 0.00 C ATOM 377 O GLU A 29 6.534 -3.568 1.924 1.00 0.00 O ATOM 378 CB GLU A 29 7.019 -3.689 5.068 1.00 0.00 C ATOM 379 CG GLU A 29 6.597 -2.674 6.117 1.00 0.00 C ATOM 380 CD GLU A 29 7.439 -2.752 7.376 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.821 -3.875 7.766 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.715 -1.690 7.971 1.00 0.00 O ATOM 0 H GLU A 29 5.409 -5.467 5.718 1.00 0.00 H new ATOM 0 HA GLU A 29 5.143 -3.339 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.444 -4.560 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.809 -3.257 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.670 -1.671 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.550 -2.836 6.374 1.00 0.00 H new ATOM 389 N GLU A 30 6.726 -5.726 2.531 1.00 0.00 N ATOM 390 CA GLU A 30 7.250 -6.156 1.240 1.00 0.00 C ATOM 391 C GLU A 30 6.221 -5.935 0.134 1.00 0.00 C ATOM 392 O GLU A 30 6.513 -5.311 -0.886 1.00 0.00 O ATOM 393 CB GLU A 30 7.650 -7.632 1.292 1.00 0.00 C ATOM 394 CG GLU A 30 9.092 -7.858 1.714 1.00 0.00 C ATOM 395 CD GLU A 30 10.083 -7.482 0.630 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.254 -8.276 -0.318 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.687 -6.394 0.730 1.00 0.00 O ATOM 0 H GLU A 30 6.628 -6.474 3.217 1.00 0.00 H new ATOM 0 HA GLU A 30 8.132 -5.556 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.991 -8.154 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.494 -8.077 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.300 -7.273 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.229 -8.906 1.979 1.00 0.00 H new ATOM 404 N THR A 31 5.015 -6.453 0.345 1.00 0.00 N ATOM 405 CA THR A 31 3.943 -6.315 -0.633 1.00 0.00 C ATOM 406 C THR A 31 3.546 -4.854 -0.810 1.00 0.00 C ATOM 407 O THR A 31 3.256 -4.409 -1.922 1.00 0.00 O ATOM 408 CB THR A 31 2.700 -7.127 -0.222 1.00 0.00 C ATOM 409 OG1 THR A 31 3.070 -8.483 0.051 1.00 0.00 O ATOM 410 CG2 THR A 31 1.646 -7.094 -1.318 1.00 0.00 C ATOM 0 H THR A 31 4.756 -6.972 1.184 1.00 0.00 H new ATOM 0 HA THR A 31 4.325 -6.702 -1.578 1.00 0.00 H new ATOM 0 HB THR A 31 2.280 -6.677 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.275 -8.993 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.778 -7.674 -1.005 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.346 -6.063 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.058 -7.522 -2.232 1.00 0.00 H new ATOM 418 N LEU A 32 3.534 -4.111 0.291 1.00 0.00 N ATOM 419 CA LEU A 32 3.173 -2.698 0.257 1.00 0.00 C ATOM 420 C LEU A 32 4.195 -1.893 -0.539 1.00 0.00 C ATOM 421 O LEU A 32 3.835 -0.998 -1.303 1.00 0.00 O ATOM 422 CB LEU A 32 3.066 -2.144 1.679 1.00 0.00 C ATOM 423 CG LEU A 32 2.227 -2.966 2.658 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.175 -2.286 4.018 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.823 -3.176 2.111 1.00 0.00 C ATOM 0 H LEU A 32 3.770 -4.463 1.219 1.00 0.00 H new ATOM 0 HA LEU A 32 2.205 -2.608 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.072 -2.047 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.646 -1.140 1.626 1.00 0.00 H new ATOM 0 HG LEU A 32 2.698 -3.942 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.574 -2.885 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.186 -2.188 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.728 -1.297 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.240 -3.763 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.343 -2.209 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.878 -3.707 1.161 1.00 0.00 H new ATOM 437 N GLN A 33 5.470 -2.220 -0.356 1.00 0.00 N ATOM 438 CA GLN A 33 6.544 -1.528 -1.059 1.00 0.00 C ATOM 439 C GLN A 33 6.331 -1.583 -2.568 1.00 0.00 C ATOM 440 O GLN A 33 6.870 -0.762 -3.310 1.00 0.00 O ATOM 441 CB GLN A 33 7.897 -2.145 -0.700 1.00 0.00 C ATOM 442 CG GLN A 33 8.564 -1.495 0.501 1.00 0.00 C ATOM 443 CD GLN A 33 9.472 -0.345 0.113 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.677 -0.524 -0.067 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.898 0.845 -0.018 1.00 0.00 N ATOM 0 H GLN A 33 5.785 -2.959 0.273 1.00 0.00 H new ATOM 0 HA GLN A 33 6.535 -0.484 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.760 -3.207 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.562 -2.067 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.797 -1.132 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.144 -2.245 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.896 0.948 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.459 1.656 -0.277 1.00 0.00 H new ATOM 454 N GLU A 34 5.542 -2.556 -3.014 1.00 0.00 N ATOM 455 CA GLU A 34 5.259 -2.717 -4.436 1.00 0.00 C ATOM 456 C GLU A 34 4.111 -1.811 -4.868 1.00 0.00 C ATOM 457 O GLU A 34 4.145 -1.218 -5.947 1.00 0.00 O ATOM 458 CB GLU A 34 4.918 -4.176 -4.748 1.00 0.00 C ATOM 459 CG GLU A 34 6.032 -5.149 -4.401 1.00 0.00 C ATOM 460 CD GLU A 34 5.745 -6.559 -4.880 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.953 -7.260 -4.215 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.311 -6.961 -5.917 1.00 0.00 O ATOM 0 H GLU A 34 5.088 -3.243 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 34 6.152 -2.433 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.019 -4.456 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.685 -4.267 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.965 -4.801 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.178 -5.159 -3.321 1.00 0.00 H new ATOM 469 N VAL A 35 3.093 -1.708 -4.019 1.00 0.00 N ATOM 470 CA VAL A 35 1.934 -0.874 -4.312 1.00 0.00 C ATOM 471 C VAL A 35 2.279 0.606 -4.201 1.00 0.00 C ATOM 472 O VAL A 35 1.841 1.420 -5.014 1.00 0.00 O ATOM 473 CB VAL A 35 0.762 -1.189 -3.363 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.474 -0.396 -3.759 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.468 -2.682 -3.357 1.00 0.00 C ATOM 0 H VAL A 35 3.048 -2.192 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 35 1.634 -1.098 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 35 1.046 -0.893 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.291 -0.632 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.254 0.670 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.764 -0.658 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.363 -2.887 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.205 -3.005 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.351 -3.225 -3.021 1.00 0.00 H new ATOM 485 N PHE A 36 3.069 0.950 -3.189 1.00 0.00 N ATOM 486 CA PHE A 36 3.474 2.333 -2.970 1.00 0.00 C ATOM 487 C PHE A 36 4.960 2.518 -3.264 1.00 0.00 C ATOM 488 O PHE A 36 5.812 2.185 -2.441 1.00 0.00 O ATOM 489 CB PHE A 36 3.171 2.755 -1.531 1.00 0.00 C ATOM 490 CG PHE A 36 1.739 2.540 -1.132 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.775 3.491 -1.424 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.357 1.387 -0.465 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.543 3.296 -1.058 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.040 1.187 -0.097 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.911 2.142 -0.394 1.00 0.00 C ATOM 0 H PHE A 36 3.441 0.289 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 36 2.905 2.964 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.816 2.196 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.419 3.810 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.057 4.395 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.097 0.636 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.285 4.045 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.245 0.284 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.941 1.987 -0.108 1.00 0.00 H new ATOM 505 N GLU A 37 5.262 3.050 -4.445 1.00 0.00 N ATOM 506 CA GLU A 37 6.645 3.277 -4.848 1.00 0.00 C ATOM 507 C GLU A 37 7.149 4.621 -4.328 1.00 0.00 C ATOM 508 O GLU A 37 8.351 4.818 -4.147 1.00 0.00 O ATOM 509 CB GLU A 37 6.769 3.228 -6.372 1.00 0.00 C ATOM 510 CG GLU A 37 6.369 1.892 -6.973 1.00 0.00 C ATOM 511 CD GLU A 37 6.679 1.801 -8.454 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.868 1.921 -8.819 1.00 0.00 O ATOM 513 OE2 GLU A 37 5.735 1.611 -9.249 1.00 0.00 O ATOM 0 H GLU A 37 4.569 3.331 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 37 7.258 2.486 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.147 4.012 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.799 3.449 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.889 1.091 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.302 1.734 -6.819 1.00 0.00 H new ATOM 520 N LYS A 38 6.222 5.542 -4.091 1.00 0.00 N ATOM 521 CA LYS A 38 6.570 6.867 -3.592 1.00 0.00 C ATOM 522 C LYS A 38 6.672 6.866 -2.070 1.00 0.00 C ATOM 523 O LYS A 38 7.298 7.746 -1.480 1.00 0.00 O ATOM 524 CB LYS A 38 5.529 7.895 -4.043 1.00 0.00 C ATOM 525 CG LYS A 38 5.083 7.716 -5.483 1.00 0.00 C ATOM 526 CD LYS A 38 6.127 8.231 -6.459 1.00 0.00 C ATOM 527 CE LYS A 38 7.116 7.141 -6.844 1.00 0.00 C ATOM 528 NZ LYS A 38 8.423 7.706 -7.280 1.00 0.00 N ATOM 0 H LYS A 38 5.223 5.395 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 38 7.542 7.139 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.658 7.828 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.943 8.896 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.892 6.661 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.143 8.245 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.634 8.609 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.663 9.068 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.273 6.477 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.695 6.537 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.069 6.931 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.277 8.320 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.837 8.262 -6.505 1.00 0.00 H new ATOM 542 N ALA A 39 6.055 5.871 -1.441 1.00 0.00 N ATOM 543 CA ALA A 39 6.080 5.754 0.012 1.00 0.00 C ATOM 544 C ALA A 39 7.511 5.758 0.538 1.00 0.00 C ATOM 545 O ALA A 39 8.254 4.793 0.354 1.00 0.00 O ATOM 546 CB ALA A 39 5.357 4.489 0.451 1.00 0.00 C ATOM 0 H ALA A 39 5.532 5.135 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 39 5.565 6.618 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.383 4.414 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.321 4.527 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.849 3.619 0.015 1.00 0.00 H new ATOM 552 N THR A 40 7.892 6.849 1.194 1.00 0.00 N ATOM 553 CA THR A 40 9.235 6.979 1.746 1.00 0.00 C ATOM 554 C THR A 40 9.460 5.990 2.884 1.00 0.00 C ATOM 555 O THR A 40 10.599 5.672 3.227 1.00 0.00 O ATOM 556 CB THR A 40 9.494 8.407 2.263 1.00 0.00 C ATOM 557 OG1 THR A 40 8.690 8.663 3.420 1.00 0.00 O ATOM 558 CG2 THR A 40 9.185 9.437 1.186 1.00 0.00 C ATOM 0 H THR A 40 7.289 7.656 1.356 1.00 0.00 H new ATOM 0 HA THR A 40 9.932 6.762 0.937 1.00 0.00 H new ATOM 0 HB THR A 40 10.548 8.488 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.259 8.672 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.375 10.438 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.820 9.258 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.138 9.354 0.893 1.00 0.00 H new ATOM 566 N PHE A 41 8.368 5.506 3.465 1.00 0.00 N ATOM 567 CA PHE A 41 8.447 4.552 4.565 1.00 0.00 C ATOM 568 C PHE A 41 7.104 3.861 4.783 1.00 0.00 C ATOM 569 O PHE A 41 6.052 4.500 4.751 1.00 0.00 O ATOM 570 CB PHE A 41 8.883 5.259 5.851 1.00 0.00 C ATOM 571 CG PHE A 41 9.442 4.327 6.887 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.781 3.969 6.866 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.630 3.809 7.883 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.298 3.111 7.818 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.141 2.950 8.838 1.00 0.00 C ATOM 576 CZ PHE A 41 10.477 2.602 8.806 1.00 0.00 C ATOM 0 H PHE A 41 7.418 5.758 3.193 1.00 0.00 H new ATOM 0 HA PHE A 41 9.188 3.796 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.634 6.010 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.029 5.788 6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.428 4.365 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.585 4.080 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.343 2.839 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.497 2.552 9.608 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.880 1.933 9.552 1.00 0.00 H new ATOM 586 N ILE A 42 7.149 2.551 5.003 1.00 0.00 N ATOM 587 CA ILE A 42 5.937 1.772 5.226 1.00 0.00 C ATOM 588 C ILE A 42 5.999 1.027 6.555 1.00 0.00 C ATOM 589 O ILE A 42 6.990 0.365 6.863 1.00 0.00 O ATOM 590 CB ILE A 42 5.704 0.757 4.091 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.345 1.483 2.794 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.607 -0.224 4.477 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.345 0.583 1.578 1.00 0.00 C ATOM 0 H ILE A 42 8.011 2.007 5.032 1.00 0.00 H new ATOM 0 HA ILE A 42 5.107 2.478 5.247 1.00 0.00 H new ATOM 0 HB ILE A 42 6.625 0.197 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.359 1.935 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.053 2.296 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.453 -0.935 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.900 -0.761 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.681 0.320 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.082 1.165 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.337 0.150 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.616 -0.216 1.717 1.00 0.00 H new ATOM 605 N LYS A 43 4.932 1.138 7.339 1.00 0.00 N ATOM 606 CA LYS A 43 4.862 0.473 8.635 1.00 0.00 C ATOM 607 C LYS A 43 3.645 -0.442 8.711 1.00 0.00 C ATOM 608 O LYS A 43 2.532 -0.042 8.371 1.00 0.00 O ATOM 609 CB LYS A 43 4.806 1.509 9.760 1.00 0.00 C ATOM 610 CG LYS A 43 5.195 0.952 11.119 1.00 0.00 C ATOM 611 CD LYS A 43 6.704 0.925 11.299 1.00 0.00 C ATOM 612 CE LYS A 43 7.101 0.166 12.556 1.00 0.00 C ATOM 613 NZ LYS A 43 8.520 -0.285 12.506 1.00 0.00 N ATOM 0 H LYS A 43 4.103 1.682 7.099 1.00 0.00 H new ATOM 0 HA LYS A 43 5.759 -0.134 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.469 2.338 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.796 1.915 9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.745 1.559 11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.797 -0.057 11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.167 0.459 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.083 1.945 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.953 0.804 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.449 -0.699 12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.752 -0.798 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.656 -0.914 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.144 0.542 12.414 1.00 0.00 H new ATOM 627 N VAL A 44 3.863 -1.674 9.162 1.00 0.00 N ATOM 628 CA VAL A 44 2.784 -2.646 9.285 1.00 0.00 C ATOM 629 C VAL A 44 2.839 -3.361 10.630 1.00 0.00 C ATOM 630 O VAL A 44 3.580 -4.326 10.818 1.00 0.00 O ATOM 631 CB VAL A 44 2.838 -3.692 8.157 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.202 -4.366 8.119 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.731 -4.720 8.330 1.00 0.00 C ATOM 0 H VAL A 44 4.778 -2.022 9.448 1.00 0.00 H new ATOM 0 HA VAL A 44 1.849 -2.091 9.210 1.00 0.00 H new ATOM 0 HB VAL A 44 2.684 -3.183 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.222 -5.102 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.974 -3.616 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.389 -4.863 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.785 -5.452 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.851 -5.226 9.288 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.763 -4.220 8.303 1.00 0.00 H new ATOM 643 N PRO A 45 2.037 -2.879 11.591 1.00 0.00 N ATOM 644 CA PRO A 45 1.976 -3.458 12.936 1.00 0.00 C ATOM 645 C PRO A 45 1.322 -4.836 12.945 1.00 0.00 C ATOM 646 O PRO A 45 0.189 -4.997 12.492 1.00 0.00 O ATOM 647 CB PRO A 45 1.122 -2.455 13.716 1.00 0.00 C ATOM 648 CG PRO A 45 0.284 -1.787 12.681 1.00 0.00 C ATOM 649 CD PRO A 45 1.127 -1.731 11.438 1.00 0.00 C ATOM 0 HA PRO A 45 2.969 -3.612 13.359 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.505 -2.956 14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.744 -1.735 14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.636 -2.345 12.504 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.007 -0.786 13.001 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.520 -1.817 10.537 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.674 -0.791 11.366 1.00 0.00 H new ATOM 657 N GLN A 46 2.043 -5.825 13.463 1.00 0.00 N ATOM 658 CA GLN A 46 1.531 -7.189 13.530 1.00 0.00 C ATOM 659 C GLN A 46 1.400 -7.651 14.977 1.00 0.00 C ATOM 660 O GLN A 46 1.728 -6.914 15.906 1.00 0.00 O ATOM 661 CB GLN A 46 2.449 -8.139 12.759 1.00 0.00 C ATOM 662 CG GLN A 46 2.601 -7.780 11.290 1.00 0.00 C ATOM 663 CD GLN A 46 3.281 -8.873 10.489 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.773 -9.853 11.048 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.312 -8.710 9.172 1.00 0.00 N ATOM 0 H GLN A 46 2.983 -5.708 13.842 1.00 0.00 H new ATOM 0 HA GLN A 46 0.541 -7.202 13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.433 -8.140 13.228 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.057 -9.153 12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.617 -7.582 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.177 -6.859 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.891 -7.882 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.756 -9.413 8.581 1.00 0.00 H new ATOM 726 N LYS A 51 0.734 -11.561 12.729 1.00 0.00 N ATOM 727 CA LYS A 51 -0.444 -11.217 11.942 1.00 0.00 C ATOM 728 C LYS A 51 -0.725 -9.719 12.009 1.00 0.00 C ATOM 729 O LYS A 51 -0.839 -9.147 13.093 1.00 0.00 O ATOM 730 CB LYS A 51 -1.662 -11.998 12.440 1.00 0.00 C ATOM 731 CG LYS A 51 -1.749 -13.409 11.884 1.00 0.00 C ATOM 732 CD LYS A 51 -3.103 -14.037 12.168 1.00 0.00 C ATOM 733 CE LYS A 51 -3.100 -15.528 11.866 1.00 0.00 C ATOM 734 NZ LYS A 51 -2.730 -15.807 10.451 1.00 0.00 N ATOM 0 HA LYS A 51 -0.247 -11.486 10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.632 -12.047 13.528 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.567 -11.454 12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.575 -13.389 10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.963 -14.023 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.368 -13.877 13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.867 -13.544 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.398 -16.032 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.087 -15.942 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.918 -16.806 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.294 -15.203 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.719 -15.606 10.310 1.00 0.00 H new ATOM 748 N SER A 52 -0.837 -9.090 10.843 1.00 0.00 N ATOM 749 CA SER A 52 -1.102 -7.658 10.770 1.00 0.00 C ATOM 750 C SER A 52 -2.403 -7.309 11.487 1.00 0.00 C ATOM 751 O SER A 52 -3.459 -7.868 11.191 1.00 0.00 O ATOM 752 CB SER A 52 -1.175 -7.205 9.310 1.00 0.00 C ATOM 753 OG SER A 52 0.094 -7.295 8.685 1.00 0.00 O ATOM 0 H SER A 52 -0.748 -9.549 9.937 1.00 0.00 H new ATOM 0 HA SER A 52 -0.283 -7.137 11.265 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.894 -7.821 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.536 -6.177 9.262 1.00 0.00 H new ATOM 0 HG SER A 52 0.021 -7.002 7.753 1.00 0.00 H new ATOM 759 N LYS A 53 -2.318 -6.381 12.434 1.00 0.00 N ATOM 760 CA LYS A 53 -3.487 -5.955 13.195 1.00 0.00 C ATOM 761 C LYS A 53 -4.674 -5.702 12.272 1.00 0.00 C ATOM 762 O LYS A 53 -5.828 -5.815 12.684 1.00 0.00 O ATOM 763 CB LYS A 53 -3.167 -4.688 13.992 1.00 0.00 C ATOM 764 CG LYS A 53 -1.910 -4.801 14.837 1.00 0.00 C ATOM 765 CD LYS A 53 -1.980 -3.907 16.064 1.00 0.00 C ATOM 766 CE LYS A 53 -1.175 -4.482 17.219 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.562 -3.873 18.522 1.00 0.00 N ATOM 0 H LYS A 53 -1.452 -5.909 12.693 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.752 -6.755 13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.056 -3.853 13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.011 -4.455 14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.771 -5.837 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.042 -4.529 14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.603 -2.915 15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.020 -3.786 16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.324 -5.561 17.264 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.113 -4.314 17.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.991 -4.291 19.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.396 -2.847 18.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.569 -4.055 18.705 1.00 0.00 H new ATOM 781 N GLY A 54 -4.383 -5.360 11.021 1.00 0.00 N ATOM 782 CA GLY A 54 -5.438 -5.098 10.059 1.00 0.00 C ATOM 783 C GLY A 54 -5.304 -3.735 9.409 1.00 0.00 C ATOM 784 O GLY A 54 -6.171 -3.318 8.640 1.00 0.00 O ATOM 0 H GLY A 54 -3.436 -5.260 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.422 -5.868 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.405 -5.166 10.557 1.00 0.00 H new ATOM 788 N TYR A 55 -4.216 -3.038 9.717 1.00 0.00 N ATOM 789 CA TYR A 55 -3.974 -1.713 9.161 1.00 0.00 C ATOM 790 C TYR A 55 -2.480 -1.467 8.971 1.00 0.00 C ATOM 791 O TYR A 55 -1.651 -2.300 9.334 1.00 0.00 O ATOM 792 CB TYR A 55 -4.567 -0.638 10.072 1.00 0.00 C ATOM 793 CG TYR A 55 -4.354 -0.907 11.545 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.171 -1.796 12.233 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.338 -0.272 12.248 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.981 -2.045 13.579 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.140 -0.516 13.593 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.964 -1.403 14.254 1.00 0.00 C ATOM 799 OH TYR A 55 -3.770 -1.648 15.594 1.00 0.00 O ATOM 0 H TYR A 55 -3.487 -3.369 10.349 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.460 -1.662 8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.124 0.325 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.636 -0.558 9.877 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.968 -2.301 11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.692 0.424 11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.625 -2.738 14.099 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.344 -0.015 14.124 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.013 -1.117 15.917 1.00 0.00 H new ATOM 809 N ALA A 56 -2.145 -0.315 8.399 1.00 0.00 N ATOM 810 CA ALA A 56 -0.752 0.044 8.162 1.00 0.00 C ATOM 811 C ALA A 56 -0.587 1.556 8.047 1.00 0.00 C ATOM 812 O ALA A 56 -1.540 2.273 7.742 1.00 0.00 O ATOM 813 CB ALA A 56 -0.237 -0.642 6.906 1.00 0.00 C ATOM 0 H ALA A 56 -2.819 0.386 8.091 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.164 -0.296 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.804 -0.365 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.310 -1.723 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.835 -0.330 6.050 1.00 0.00 H new ATOM 819 N PHE A 57 0.628 2.034 8.293 1.00 0.00 N ATOM 820 CA PHE A 57 0.918 3.461 8.219 1.00 0.00 C ATOM 821 C PHE A 57 1.931 3.754 7.115 1.00 0.00 C ATOM 822 O PHE A 57 3.115 3.444 7.248 1.00 0.00 O ATOM 823 CB PHE A 57 1.451 3.966 9.562 1.00 0.00 C ATOM 824 CG PHE A 57 0.411 3.995 10.646 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.545 4.998 10.680 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.391 3.021 11.631 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.503 5.028 11.676 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.565 3.046 12.629 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.512 4.051 12.652 1.00 0.00 C ATOM 0 H PHE A 57 1.428 1.454 8.545 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.010 3.983 7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.277 3.329 9.879 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.855 4.970 9.430 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.541 5.765 9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.130 2.234 11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.243 5.814 11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.571 2.280 13.390 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.259 4.073 13.432 1.00 0.00 H new ATOM 839 N ILE A 58 1.455 4.350 6.028 1.00 0.00 N ATOM 840 CA ILE A 58 2.318 4.685 4.902 1.00 0.00 C ATOM 841 C ILE A 58 2.848 6.110 5.020 1.00 0.00 C ATOM 842 O ILE A 58 2.127 7.018 5.432 1.00 0.00 O ATOM 843 CB ILE A 58 1.576 4.535 3.560 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.710 3.274 3.569 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.568 4.495 2.408 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.470 2.022 3.946 1.00 0.00 C ATOM 0 H ILE A 58 0.477 4.611 5.903 1.00 0.00 H new ATOM 0 HA ILE A 58 3.154 3.986 4.926 1.00 0.00 H new ATOM 0 HB ILE A 58 0.925 5.399 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.114 3.414 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.270 3.138 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.029 4.389 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.146 5.419 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.242 3.648 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.793 1.168 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.277 1.858 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.888 2.137 4.946 1.00 0.00 H new ATOM 858 N GLU A 59 4.112 6.297 4.654 1.00 0.00 N ATOM 859 CA GLU A 59 4.739 7.613 4.719 1.00 0.00 C ATOM 860 C GLU A 59 5.237 8.046 3.343 1.00 0.00 C ATOM 861 O GLU A 59 5.766 7.238 2.579 1.00 0.00 O ATOM 862 CB GLU A 59 5.900 7.600 5.714 1.00 0.00 C ATOM 863 CG GLU A 59 6.218 8.968 6.296 1.00 0.00 C ATOM 864 CD GLU A 59 7.590 9.024 6.938 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.593 9.006 6.194 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.662 9.087 8.183 1.00 0.00 O ATOM 0 H GLU A 59 4.722 5.555 4.310 1.00 0.00 H new ATOM 0 HA GLU A 59 3.990 8.329 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.663 6.915 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.789 7.210 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.160 9.717 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.463 9.227 7.038 1.00 0.00 H new ATOM 873 N PHE A 60 5.065 9.327 3.034 1.00 0.00 N ATOM 874 CA PHE A 60 5.496 9.868 1.751 1.00 0.00 C ATOM 875 C PHE A 60 6.311 11.144 1.944 1.00 0.00 C ATOM 876 O PHE A 60 6.596 11.546 3.072 1.00 0.00 O ATOM 877 CB PHE A 60 4.285 10.153 0.861 1.00 0.00 C ATOM 878 CG PHE A 60 3.476 8.929 0.538 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.706 8.315 1.513 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.488 8.392 -0.739 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.961 7.188 1.219 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.744 7.266 -1.038 1.00 0.00 C ATOM 883 CZ PHE A 60 1.981 6.663 -0.058 1.00 0.00 C ATOM 0 H PHE A 60 4.630 10.010 3.655 1.00 0.00 H new ATOM 0 HA PHE A 60 6.128 9.124 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.644 10.882 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.627 10.609 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.688 8.721 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.085 8.858 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.364 6.719 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.760 6.858 -2.038 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.401 5.782 -0.290 1.00 0.00 H new ATOM 893 N ALA A 61 6.682 11.776 0.836 1.00 0.00 N ATOM 894 CA ALA A 61 7.462 13.006 0.882 1.00 0.00 C ATOM 895 C ALA A 61 6.608 14.180 1.349 1.00 0.00 C ATOM 896 O ALA A 61 7.101 15.095 2.009 1.00 0.00 O ATOM 897 CB ALA A 61 8.066 13.300 -0.483 1.00 0.00 C ATOM 0 H ALA A 61 6.455 11.456 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 61 8.269 12.868 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.646 14.222 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.717 12.477 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.268 13.412 -1.217 1.00 0.00 H new ATOM 903 N SER A 62 5.326 14.148 1.003 1.00 0.00 N ATOM 904 CA SER A 62 4.404 15.212 1.383 1.00 0.00 C ATOM 905 C SER A 62 2.969 14.846 1.014 1.00 0.00 C ATOM 906 O SER A 62 2.720 13.808 0.399 1.00 0.00 O ATOM 907 CB SER A 62 4.798 16.524 0.703 1.00 0.00 C ATOM 908 OG SER A 62 5.675 17.279 1.521 1.00 0.00 O ATOM 0 H SER A 62 4.901 13.396 0.460 1.00 0.00 H new ATOM 0 HA SER A 62 4.461 15.339 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.279 16.312 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.904 17.108 0.487 1.00 0.00 H new ATOM 0 HG SER A 62 6.450 16.730 1.764 1.00 0.00 H new ATOM 914 N PHE A 63 2.030 15.706 1.393 1.00 0.00 N ATOM 915 CA PHE A 63 0.620 15.474 1.103 1.00 0.00 C ATOM 916 C PHE A 63 0.407 15.201 -0.383 1.00 0.00 C ATOM 917 O PHE A 63 -0.640 14.698 -0.788 1.00 0.00 O ATOM 918 CB PHE A 63 -0.217 16.679 1.536 1.00 0.00 C ATOM 919 CG PHE A 63 -1.547 16.766 0.845 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.528 15.816 1.080 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.817 17.797 -0.040 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.753 15.893 0.444 1.00 0.00 C ATOM 923 CE2 PHE A 63 -3.040 17.879 -0.679 1.00 0.00 C ATOM 924 CZ PHE A 63 -4.010 16.926 -0.436 1.00 0.00 C ATOM 0 H PHE A 63 2.220 16.570 1.901 1.00 0.00 H new ATOM 0 HA PHE A 63 0.300 14.597 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.379 16.630 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.346 17.591 1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.333 15.006 1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.063 18.546 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.509 15.146 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.237 18.687 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.967 16.989 -0.933 1.00 0.00 H new ATOM 934 N GLU A 64 1.409 15.537 -1.190 1.00 0.00 N ATOM 935 CA GLU A 64 1.331 15.330 -2.631 1.00 0.00 C ATOM 936 C GLU A 64 1.496 13.853 -2.978 1.00 0.00 C ATOM 937 O GLU A 64 0.537 13.184 -3.362 1.00 0.00 O ATOM 938 CB GLU A 64 2.402 16.156 -3.346 1.00 0.00 C ATOM 939 CG GLU A 64 1.937 17.548 -3.738 1.00 0.00 C ATOM 940 CD GLU A 64 2.717 18.117 -4.907 1.00 0.00 C ATOM 941 OE1 GLU A 64 3.183 17.322 -5.751 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.862 19.355 -4.979 1.00 0.00 O ATOM 0 H GLU A 64 2.283 15.953 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 64 0.347 15.657 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.274 16.243 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.722 15.623 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.878 17.514 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.036 18.215 -2.881 1.00 0.00 H new ATOM 949 N ASP A 65 2.719 13.353 -2.840 1.00 0.00 N ATOM 950 CA ASP A 65 3.011 11.955 -3.138 1.00 0.00 C ATOM 951 C ASP A 65 1.963 11.037 -2.517 1.00 0.00 C ATOM 952 O ASP A 65 1.475 10.110 -3.163 1.00 0.00 O ATOM 953 CB ASP A 65 4.403 11.582 -2.624 1.00 0.00 C ATOM 954 CG ASP A 65 5.510 12.136 -3.499 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.523 13.362 -3.735 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.364 11.343 -3.949 1.00 0.00 O ATOM 0 H ASP A 65 3.524 13.894 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 65 2.985 11.826 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.525 11.957 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.491 10.497 -2.576 1.00 0.00 H new ATOM 961 N ALA A 66 1.623 11.300 -1.260 1.00 0.00 N ATOM 962 CA ALA A 66 0.633 10.498 -0.552 1.00 0.00 C ATOM 963 C ALA A 66 -0.698 10.486 -1.297 1.00 0.00 C ATOM 964 O ALA A 66 -1.273 9.426 -1.545 1.00 0.00 O ATOM 965 CB ALA A 66 0.443 11.022 0.864 1.00 0.00 C ATOM 0 H ALA A 66 2.019 12.063 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 66 1.001 9.473 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.299 10.413 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.390 10.972 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.101 12.056 0.826 1.00 0.00 H new ATOM 971 N LYS A 67 -1.183 11.671 -1.650 1.00 0.00 N ATOM 972 CA LYS A 67 -2.446 11.798 -2.367 1.00 0.00 C ATOM 973 C LYS A 67 -2.368 11.121 -3.732 1.00 0.00 C ATOM 974 O LYS A 67 -3.371 10.634 -4.251 1.00 0.00 O ATOM 975 CB LYS A 67 -2.813 13.274 -2.539 1.00 0.00 C ATOM 976 CG LYS A 67 -4.024 13.501 -3.426 1.00 0.00 C ATOM 977 CD LYS A 67 -5.311 13.093 -2.728 1.00 0.00 C ATOM 978 CE LYS A 67 -5.867 14.225 -1.878 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.681 15.176 -2.685 1.00 0.00 N ATOM 0 H LYS A 67 -0.720 12.558 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.219 11.303 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.005 13.708 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.960 13.805 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.079 14.553 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.913 12.931 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.051 12.797 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.125 12.222 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.480 13.811 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.045 14.762 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.042 15.933 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.090 15.591 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.480 14.670 -3.116 1.00 0.00 H new ATOM 993 N GLU A 68 -1.169 11.094 -4.306 1.00 0.00 N ATOM 994 CA GLU A 68 -0.961 10.476 -5.610 1.00 0.00 C ATOM 995 C GLU A 68 -1.165 8.965 -5.535 1.00 0.00 C ATOM 996 O GLU A 68 -1.715 8.356 -6.451 1.00 0.00 O ATOM 997 CB GLU A 68 0.445 10.787 -6.129 1.00 0.00 C ATOM 998 CG GLU A 68 0.802 10.041 -7.403 1.00 0.00 C ATOM 999 CD GLU A 68 0.403 10.799 -8.654 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.724 12.002 -8.747 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.230 10.188 -9.541 1.00 0.00 O ATOM 0 H GLU A 68 -0.328 11.493 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.695 10.891 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.527 11.859 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.172 10.538 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.876 9.855 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.310 9.068 -7.400 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.716 8.368 -4.435 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.850 6.930 -4.239 1.00 0.00 C ATOM 1010 C ALA A 69 -2.180 6.588 -3.578 1.00 0.00 C ATOM 1011 O ALA A 69 -2.724 5.501 -3.780 1.00 0.00 O ATOM 1012 CB ALA A 69 0.308 6.402 -3.404 1.00 0.00 C ATOM 0 H ALA A 69 -0.257 8.858 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.827 6.451 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.196 5.327 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.248 6.605 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.310 6.895 -2.432 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.700 7.520 -2.787 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.968 7.317 -2.095 1.00 0.00 C ATOM 1020 C LEU A 70 -5.137 7.369 -3.074 1.00 0.00 C ATOM 1021 O LEU A 70 -6.207 6.823 -2.807 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.152 8.375 -1.006 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.597 8.746 -0.668 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.270 7.622 0.105 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.642 10.044 0.125 1.00 0.00 C ATOM 0 H LEU A 70 -2.263 8.424 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.948 6.330 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.667 8.020 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.628 9.280 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.142 8.894 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.297 7.904 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.270 6.714 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.726 7.441 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.678 10.293 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.081 9.924 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.199 10.846 -0.465 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.923 8.028 -4.208 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.959 8.150 -5.227 1.00 0.00 C ATOM 1039 C ASN A 71 -6.112 6.847 -6.006 1.00 0.00 C ATOM 1040 O ASN A 71 -7.215 6.480 -6.411 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.627 9.295 -6.187 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.168 10.627 -5.706 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.286 10.708 -5.196 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.376 11.681 -5.869 1.00 0.00 N ATOM 0 H ASN A 71 -4.042 8.485 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.903 8.366 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.546 9.366 -6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.040 9.072 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.687 12.604 -5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.457 11.567 -6.297 1.00 0.00 H new ATOM 1051 N SER A 72 -4.997 6.152 -6.212 1.00 0.00 N ATOM 1052 CA SER A 72 -5.006 4.892 -6.945 1.00 0.00 C ATOM 1053 C SER A 72 -5.048 3.706 -5.985 1.00 0.00 C ATOM 1054 O SER A 72 -6.027 2.960 -5.947 1.00 0.00 O ATOM 1055 CB SER A 72 -3.772 4.791 -7.844 1.00 0.00 C ATOM 1056 OG SER A 72 -4.041 4.007 -8.993 1.00 0.00 O ATOM 0 H SER A 72 -4.076 6.441 -5.881 1.00 0.00 H new ATOM 0 HA SER A 72 -5.902 4.868 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.456 5.789 -8.147 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.946 4.351 -7.285 1.00 0.00 H new ATOM 0 HG SER A 72 -3.237 3.959 -9.552 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.980 3.540 -5.213 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.894 2.444 -4.254 1.00 0.00 C ATOM 1064 C CYS A 73 -5.232 2.225 -3.557 1.00 0.00 C ATOM 1065 O CYS A 73 -5.524 1.128 -3.082 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.806 2.731 -3.218 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.160 2.977 -3.924 1.00 0.00 S ATOM 0 H CYS A 73 -3.162 4.149 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.637 1.536 -4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.084 3.621 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.766 1.903 -2.510 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.270 2.925 -2.978 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.042 3.277 -3.497 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.350 3.200 -2.856 1.00 0.00 C ATOM 1075 C ASN A 74 -8.070 1.912 -3.243 1.00 0.00 C ATOM 1076 O ASN A 74 -8.047 1.498 -4.402 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.202 4.410 -3.242 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.109 4.863 -2.113 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.301 5.096 -2.315 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.545 4.990 -0.917 1.00 0.00 N ATOM 0 H ASN A 74 -5.816 4.193 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.199 3.200 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.549 5.233 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.808 4.161 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.104 5.292 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.553 4.786 -0.797 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.712 1.283 -2.264 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.442 0.043 -2.500 1.00 0.00 C ATOM 1089 C LYS A 75 -8.644 -0.895 -3.400 1.00 0.00 C ATOM 1090 O LYS A 75 -9.142 -1.357 -4.427 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.802 0.341 -3.134 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.721 1.161 -2.244 1.00 0.00 C ATOM 1093 CD LYS A 75 -11.515 2.652 -2.455 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.620 3.465 -1.798 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.757 3.709 -2.729 1.00 0.00 N ATOM 0 H LYS A 75 -8.741 1.612 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.596 -0.448 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.647 0.874 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.293 -0.601 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.759 0.903 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.536 0.911 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.550 2.949 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.488 2.869 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.981 2.940 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.217 4.419 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.489 4.266 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.418 4.233 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.159 2.799 -3.033 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.405 -1.172 -3.009 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.539 -2.055 -3.781 1.00 0.00 C ATOM 1111 C ARG A 76 -6.681 -3.501 -3.314 1.00 0.00 C ATOM 1112 O ARG A 76 -6.488 -3.804 -2.137 1.00 0.00 O ATOM 1113 CB ARG A 76 -5.080 -1.610 -3.658 1.00 0.00 C ATOM 1114 CG ARG A 76 -4.087 -2.614 -4.219 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.875 -2.414 -5.712 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.776 -3.229 -6.223 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.901 -4.510 -6.548 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -4.072 -5.120 -6.417 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.855 -5.185 -7.006 1.00 0.00 N ATOM 0 H ARG A 76 -6.978 -0.798 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.843 -1.997 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.954 -0.659 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.850 -1.433 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.134 -2.515 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.447 -3.626 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.792 -2.666 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.669 -1.362 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.862 -2.790 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.879 -4.605 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.165 -6.104 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.953 -4.720 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.953 -6.169 -7.255 1.00 0.00 H new ATOM 1133 N GLU A 77 -7.020 -4.387 -4.244 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.190 -5.800 -3.927 1.00 0.00 C ATOM 1135 C GLU A 77 -5.838 -6.476 -3.714 1.00 0.00 C ATOM 1136 O GLU A 77 -5.116 -6.757 -4.670 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.956 -6.509 -5.046 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.463 -6.494 -4.856 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.218 -6.647 -6.162 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.191 -5.702 -6.978 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.835 -7.713 -6.369 1.00 0.00 O ATOM 0 H GLU A 77 -7.182 -4.152 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.763 -5.872 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.713 -6.036 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.616 -7.543 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.748 -7.300 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.756 -5.559 -4.379 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.504 -6.733 -2.454 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.240 -7.376 -2.115 1.00 0.00 C ATOM 1150 C ILE A 78 -4.469 -8.641 -1.295 1.00 0.00 C ATOM 1151 O ILE A 78 -5.185 -8.622 -0.294 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.319 -6.426 -1.327 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.034 -5.163 -2.142 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.022 -7.130 -0.959 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.129 -4.179 -1.435 1.00 0.00 C ATOM 0 H ILE A 78 -6.091 -6.506 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.757 -7.639 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.825 -6.134 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.578 -5.447 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.978 -4.672 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.382 -6.446 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.243 -8.002 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.510 -7.448 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.970 -3.308 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.593 -3.865 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.171 -4.653 -1.224 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.855 -9.738 -1.726 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.992 -11.012 -1.030 1.00 0.00 C ATOM 1169 C GLU A 79 -5.455 -11.442 -0.964 1.00 0.00 C ATOM 1170 O GLU A 79 -5.870 -12.129 -0.032 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.415 -10.911 0.384 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.938 -11.261 0.465 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.674 -12.735 0.223 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.575 -13.553 0.499 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.564 -13.069 -0.244 1.00 0.00 O ATOM 0 H GLU A 79 -3.259 -9.770 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.435 -11.764 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.560 -9.896 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.974 -11.575 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.388 -10.672 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.556 -10.984 1.447 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.232 -11.031 -1.962 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.640 -11.382 -1.998 1.00 0.00 C ATOM 1184 C GLY A 80 -8.472 -10.539 -1.052 1.00 0.00 C ATOM 1185 O GLY A 80 -9.651 -10.819 -0.835 1.00 0.00 O ATOM 0 H GLY A 80 -5.912 -10.462 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.016 -11.260 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.756 -12.434 -1.739 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.857 -9.506 -0.485 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.548 -8.623 0.446 1.00 0.00 C ATOM 1191 C ARG A 81 -8.371 -7.162 0.042 1.00 0.00 C ATOM 1192 O ARG A 81 -7.249 -6.663 -0.046 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.027 -8.836 1.868 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.662 -10.021 2.578 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.617 -9.854 4.089 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.737 -9.061 4.586 1.00 0.00 N ATOM 1197 CZ ARG A 81 -11.002 -9.463 4.536 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -11.306 -10.643 4.013 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -11.967 -8.684 5.009 1.00 0.00 N ATOM 0 H ARG A 81 -6.882 -9.260 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.610 -8.865 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.947 -8.981 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.209 -7.934 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.697 -10.129 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.142 -10.937 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.630 -10.836 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.680 -9.375 4.373 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.537 -8.148 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.568 -11.244 3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.278 -10.949 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.738 -7.775 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.938 -8.994 4.970 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.486 -6.482 -0.204 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.455 -5.079 -0.597 1.00 0.00 C ATOM 1215 C ALA A 82 -8.849 -4.214 0.503 1.00 0.00 C ATOM 1216 O ALA A 82 -9.185 -4.364 1.679 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.856 -4.595 -0.941 1.00 0.00 C ATOM 0 H ALA A 82 -10.423 -6.881 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.825 -4.989 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.817 -3.545 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.253 -5.186 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.503 -4.706 -0.071 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.956 -3.310 0.115 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.305 -2.421 1.070 1.00 0.00 C ATOM 1225 C ILE A 83 -7.705 -0.970 0.831 1.00 0.00 C ATOM 1226 O ILE A 83 -7.672 -0.484 -0.300 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.771 -2.539 0.992 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.245 -1.817 -0.250 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.352 -4.001 0.979 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.909 -0.362 -0.007 1.00 0.00 C ATOM 0 H ILE A 83 -7.667 -3.174 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.635 -2.727 2.063 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.340 -2.066 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.354 -2.332 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.992 -1.882 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.265 -4.068 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.699 -4.487 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.790 -4.497 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.542 0.086 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.803 0.168 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.140 -0.290 0.762 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.082 -0.281 1.904 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.488 1.116 1.811 1.00 0.00 C ATOM 1244 C ARG A 84 -7.460 2.026 2.477 1.00 0.00 C ATOM 1245 O ARG A 84 -6.822 1.646 3.459 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.858 1.315 2.461 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.432 2.708 2.259 1.00 0.00 C ATOM 1248 CD ARG A 84 -10.779 2.961 0.800 1.00 0.00 C ATOM 1249 NE ARG A 84 -11.389 4.273 0.602 1.00 0.00 N ATOM 1250 CZ ARG A 84 -12.627 4.572 0.978 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.383 3.657 1.569 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.111 5.788 0.763 1.00 0.00 N ATOM 0 H ARG A 84 -8.115 -0.668 2.847 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.552 1.380 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.554 0.582 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.776 1.117 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.325 2.827 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.711 3.452 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.876 2.886 0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.462 2.187 0.450 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.834 5.000 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.014 2.721 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.334 3.889 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.532 6.494 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.062 6.017 1.052 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.305 3.229 1.935 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.354 4.195 2.476 1.00 0.00 C ATOM 1268 C LEU A 85 -7.055 5.494 2.859 1.00 0.00 C ATOM 1269 O LEU A 85 -7.945 5.962 2.149 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.250 4.479 1.456 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.451 3.266 0.977 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.962 3.479 -0.448 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.280 2.996 1.910 1.00 0.00 C ATOM 0 H LEU A 85 -7.825 3.559 1.122 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.909 3.766 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.700 4.959 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.556 5.197 1.892 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.106 2.395 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.395 2.606 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.817 3.623 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.323 4.361 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.723 2.130 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.623 3.866 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.653 2.799 2.915 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.647 6.072 3.984 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.236 7.319 4.459 1.00 0.00 C ATOM 1287 C GLU A 86 -6.180 8.203 5.117 1.00 0.00 C ATOM 1288 O GLU A 86 -5.349 7.727 5.891 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.365 7.030 5.451 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.728 6.887 4.796 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.864 6.931 5.799 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.690 7.559 6.865 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.928 6.340 5.519 1.00 0.00 O ATOM 0 H GLU A 86 -5.912 5.697 4.583 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.645 7.849 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.134 6.114 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.407 7.834 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.862 7.685 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.767 5.945 4.249 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.219 9.493 4.802 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.266 10.446 5.361 1.00 0.00 C ATOM 1302 C LEU A 87 -5.390 10.512 6.880 1.00 0.00 C ATOM 1303 O LEU A 87 -6.486 10.673 7.416 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.489 11.834 4.759 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.107 11.996 3.287 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.365 13.421 2.823 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.649 11.618 3.069 1.00 0.00 C ATOM 0 H LEU A 87 -6.900 9.903 4.163 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.261 10.106 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.542 12.092 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.920 12.557 5.343 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.728 11.324 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.087 13.518 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.423 13.656 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.770 14.112 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.395 11.739 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.011 12.264 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.495 10.580 3.362 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.259 10.389 7.567 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.242 10.437 9.024 1.00 0.00 C ATOM 1321 C GLN A 88 -4.537 11.846 9.526 1.00 0.00 C ATOM 1322 O GLN A 88 -4.273 12.830 8.836 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.886 9.968 9.555 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.953 9.369 10.950 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.589 9.249 11.600 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.340 9.825 12.660 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.695 8.497 10.968 1.00 0.00 N ATOM 0 H GLN A 88 -3.343 10.255 7.138 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.020 9.769 9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.473 9.227 8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.197 10.812 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.596 9.987 11.576 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.413 8.383 10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.943 8.037 10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.240 8.379 11.359 1.00 0.00 H new