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 -102:sc= 0.222 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0.103 (180deg=0.0934) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.818 USER MOD Single : A 22 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.29) USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.63) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 37:sc= 0.243 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.122 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.87 K(o=-2.9,f=-1.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -175:sc= -3.27! USER MOD Single : A 74 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.08) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -2.064 15.769 3.946 1.00 0.00 N ATOM 163 CA SER A 15 -1.317 14.829 4.774 1.00 0.00 C ATOM 164 C SER A 15 -0.480 13.890 3.910 1.00 0.00 C ATOM 165 O SER A 15 -0.980 13.293 2.957 1.00 0.00 O ATOM 166 CB SER A 15 -2.273 14.016 5.650 1.00 0.00 C ATOM 167 OG SER A 15 -1.577 13.019 6.376 1.00 0.00 O ATOM 0 HA SER A 15 -0.646 15.402 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.790 14.680 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.036 13.550 5.026 1.00 0.00 H new ATOM 0 HG SER A 15 -1.710 12.148 5.946 1.00 0.00 H new ATOM 173 N LYS A 16 0.798 13.766 4.251 1.00 0.00 N ATOM 174 CA LYS A 16 1.708 12.901 3.509 1.00 0.00 C ATOM 175 C LYS A 16 1.604 11.459 3.995 1.00 0.00 C ATOM 176 O LYS A 16 2.002 10.526 3.296 1.00 0.00 O ATOM 177 CB LYS A 16 3.148 13.396 3.654 1.00 0.00 C ATOM 178 CG LYS A 16 3.883 12.794 4.839 1.00 0.00 C ATOM 179 CD LYS A 16 5.296 13.340 4.955 1.00 0.00 C ATOM 180 CE LYS A 16 5.301 14.772 5.466 1.00 0.00 C ATOM 181 NZ LYS A 16 6.604 15.447 5.214 1.00 0.00 N ATOM 0 H LYS A 16 1.228 14.254 5.037 1.00 0.00 H new ATOM 0 HA LYS A 16 1.424 12.934 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.697 13.164 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.142 14.481 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.333 13.007 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.919 11.710 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.876 12.710 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.784 13.299 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.502 15.333 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.091 14.777 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.534 16.449 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.348 14.988 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.842 15.376 4.204 1.00 0.00 H new ATOM 195 N THR A 17 1.066 11.281 5.198 1.00 0.00 N ATOM 196 CA THR A 17 0.910 9.953 5.777 1.00 0.00 C ATOM 197 C THR A 17 -0.466 9.376 5.465 1.00 0.00 C ATOM 198 O THR A 17 -1.488 10.031 5.676 1.00 0.00 O ATOM 199 CB THR A 17 1.108 9.979 7.304 1.00 0.00 C ATOM 200 OG1 THR A 17 2.357 10.604 7.625 1.00 0.00 O ATOM 201 CG2 THR A 17 1.078 8.571 7.878 1.00 0.00 C ATOM 0 H THR A 17 0.731 12.041 5.790 1.00 0.00 H new ATOM 0 HA THR A 17 1.677 9.321 5.329 1.00 0.00 H new ATOM 0 HB THR A 17 0.291 10.551 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.475 10.618 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.220 8.615 8.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.116 8.108 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.877 7.979 7.431 1.00 0.00 H new ATOM 209 N LEU A 18 -0.487 8.146 4.963 1.00 0.00 N ATOM 210 CA LEU A 18 -1.739 7.479 4.622 1.00 0.00 C ATOM 211 C LEU A 18 -2.048 6.362 5.614 1.00 0.00 C ATOM 212 O LEU A 18 -1.143 5.692 6.112 1.00 0.00 O ATOM 213 CB LEU A 18 -1.668 6.912 3.204 1.00 0.00 C ATOM 214 CG LEU A 18 -1.039 7.822 2.148 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.869 7.077 0.833 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.884 9.072 1.949 1.00 0.00 C ATOM 0 H LEU A 18 0.349 7.590 4.783 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.540 8.216 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.103 5.980 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.679 6.662 2.883 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.053 8.126 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.420 7.741 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.222 6.213 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.843 6.742 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.421 9.708 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.883 8.787 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.953 9.618 2.890 1.00 0.00 H new ATOM 228 N VAL A 19 -3.332 6.165 5.894 1.00 0.00 N ATOM 229 CA VAL A 19 -3.761 5.127 6.824 1.00 0.00 C ATOM 230 C VAL A 19 -4.436 3.975 6.087 1.00 0.00 C ATOM 231 O VAL A 19 -5.522 4.133 5.528 1.00 0.00 O ATOM 232 CB VAL A 19 -4.733 5.686 7.880 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.953 4.672 8.992 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.211 7.000 8.441 1.00 0.00 C ATOM 0 H VAL A 19 -4.093 6.710 5.490 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.865 4.760 7.325 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.693 5.878 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.642 5.084 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.374 3.758 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.001 4.446 9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.910 7.381 9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.239 6.836 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.110 7.726 7.634 1.00 0.00 H new ATOM 244 N LEU A 20 -3.787 2.817 6.091 1.00 0.00 N ATOM 245 CA LEU A 20 -4.324 1.636 5.424 1.00 0.00 C ATOM 246 C LEU A 20 -5.272 0.874 6.344 1.00 0.00 C ATOM 247 O LEU A 20 -5.007 0.723 7.537 1.00 0.00 O ATOM 248 CB LEU A 20 -3.186 0.719 4.972 1.00 0.00 C ATOM 249 CG LEU A 20 -3.540 -0.312 3.900 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.303 -0.706 3.109 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.184 -1.538 4.531 1.00 0.00 C ATOM 0 H LEU A 20 -2.887 2.670 6.549 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.884 1.967 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.373 1.340 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.804 0.189 5.845 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.257 0.138 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.575 -1.440 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.884 0.176 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.562 -1.137 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.429 -2.261 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.490 -1.989 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.095 -1.243 5.052 1.00 0.00 H new ATOM 263 N SER A 21 -6.376 0.394 5.782 1.00 0.00 N ATOM 264 CA SER A 21 -7.365 -0.352 6.552 1.00 0.00 C ATOM 265 C SER A 21 -7.775 -1.626 5.821 1.00 0.00 C ATOM 266 O SER A 21 -7.853 -1.652 4.593 1.00 0.00 O ATOM 267 CB SER A 21 -8.596 0.517 6.819 1.00 0.00 C ATOM 268 OG SER A 21 -9.432 0.579 5.677 1.00 0.00 O ATOM 0 H SER A 21 -6.609 0.508 4.795 1.00 0.00 H new ATOM 0 HA SER A 21 -6.913 -0.631 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.156 0.112 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.282 1.522 7.099 1.00 0.00 H new ATOM 0 HG SER A 21 -10.212 1.138 5.873 1.00 0.00 H new ATOM 274 N ASN A 22 -8.038 -2.681 6.585 1.00 0.00 N ATOM 275 CA ASN A 22 -8.440 -3.960 6.011 1.00 0.00 C ATOM 276 C ASN A 22 -7.247 -4.673 5.382 1.00 0.00 C ATOM 277 O ASN A 22 -7.340 -5.203 4.274 1.00 0.00 O ATOM 278 CB ASN A 22 -9.534 -3.749 4.962 1.00 0.00 C ATOM 279 CG ASN A 22 -10.321 -5.016 4.684 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.305 -5.309 5.363 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.888 -5.774 3.684 1.00 0.00 N ATOM 0 H ASN A 22 -7.980 -2.676 7.603 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.831 -4.584 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.215 -2.969 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.082 -3.395 4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.376 -6.639 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.067 -5.491 3.148 1.00 0.00 H new ATOM 288 N LEU A 23 -6.128 -4.684 6.097 1.00 0.00 N ATOM 289 CA LEU A 23 -4.916 -5.333 5.610 1.00 0.00 C ATOM 290 C LEU A 23 -4.948 -6.831 5.895 1.00 0.00 C ATOM 291 O LEU A 23 -5.446 -7.265 6.934 1.00 0.00 O ATOM 292 CB LEU A 23 -3.681 -4.705 6.259 1.00 0.00 C ATOM 293 CG LEU A 23 -2.401 -4.722 5.423 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.380 -3.749 5.990 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.823 -6.129 5.362 1.00 0.00 C ATOM 0 H LEU A 23 -6.035 -4.251 7.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.865 -5.188 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.914 -3.670 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.485 -5.224 7.197 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.648 -4.407 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.476 -3.775 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.794 -2.741 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.137 -4.032 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.912 -6.123 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.592 -6.471 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.551 -6.802 4.909 1.00 0.00 H new ATOM 307 N SER A 24 -4.411 -7.617 4.967 1.00 0.00 N ATOM 308 CA SER A 24 -4.379 -9.067 5.118 1.00 0.00 C ATOM 309 C SER A 24 -3.085 -9.516 5.789 1.00 0.00 C ATOM 310 O SER A 24 -2.005 -9.009 5.481 1.00 0.00 O ATOM 311 CB SER A 24 -4.523 -9.746 3.755 1.00 0.00 C ATOM 312 OG SER A 24 -4.511 -11.157 3.884 1.00 0.00 O ATOM 0 H SER A 24 -3.992 -7.274 4.103 1.00 0.00 H new ATOM 0 HA SER A 24 -5.216 -9.360 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.453 -9.429 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.710 -9.431 3.101 1.00 0.00 H new ATOM 0 HG SER A 24 -4.764 -11.566 3.030 1.00 0.00 H new ATOM 318 N TYR A 25 -3.201 -10.469 6.706 1.00 0.00 N ATOM 319 CA TYR A 25 -2.040 -10.985 7.423 1.00 0.00 C ATOM 320 C TYR A 25 -0.959 -11.446 6.450 1.00 0.00 C ATOM 321 O TYR A 25 0.233 -11.278 6.705 1.00 0.00 O ATOM 322 CB TYR A 25 -2.451 -12.144 8.333 1.00 0.00 C ATOM 323 CG TYR A 25 -3.833 -11.988 8.925 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.070 -11.091 9.960 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.902 -12.739 8.452 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.331 -10.946 10.505 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.167 -12.599 8.990 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.376 -11.702 10.016 1.00 0.00 C ATOM 329 OH TYR A 25 -7.634 -11.561 10.556 1.00 0.00 O ATOM 0 H TYR A 25 -4.087 -10.900 6.971 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.633 -10.179 8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.411 -13.073 7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.726 -12.234 9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.254 -10.497 10.345 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.741 -13.444 7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.498 -10.245 11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.987 -13.189 8.609 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.256 -12.165 10.098 1.00 0.00 H new ATOM 339 N SER A 26 -1.386 -12.027 5.334 1.00 0.00 N ATOM 340 CA SER A 26 -0.456 -12.515 4.322 1.00 0.00 C ATOM 341 C SER A 26 0.321 -11.361 3.697 1.00 0.00 C ATOM 342 O SER A 26 1.383 -11.561 3.108 1.00 0.00 O ATOM 343 CB SER A 26 -1.209 -13.286 3.236 1.00 0.00 C ATOM 344 OG SER A 26 -1.703 -14.517 3.734 1.00 0.00 O ATOM 0 H SER A 26 -2.370 -12.171 5.107 1.00 0.00 H new ATOM 0 HA SER A 26 0.252 -13.186 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.037 -12.682 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.546 -13.472 2.391 1.00 0.00 H new ATOM 0 HG SER A 26 -2.312 -14.915 3.077 1.00 0.00 H new ATOM 350 N ALA A 27 -0.216 -10.153 3.829 1.00 0.00 N ATOM 351 CA ALA A 27 0.426 -8.966 3.279 1.00 0.00 C ATOM 352 C ALA A 27 1.425 -8.375 4.268 1.00 0.00 C ATOM 353 O ALA A 27 1.151 -8.287 5.466 1.00 0.00 O ATOM 354 CB ALA A 27 -0.619 -7.929 2.898 1.00 0.00 C ATOM 0 H ALA A 27 -1.095 -9.971 4.313 1.00 0.00 H new ATOM 0 HA ALA A 27 0.972 -9.261 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.125 -7.048 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.292 -8.348 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.191 -7.647 3.782 1.00 0.00 H new ATOM 360 N THR A 28 2.585 -7.970 3.761 1.00 0.00 N ATOM 361 CA THR A 28 3.625 -7.389 4.600 1.00 0.00 C ATOM 362 C THR A 28 4.259 -6.175 3.929 1.00 0.00 C ATOM 363 O THR A 28 4.046 -5.930 2.742 1.00 0.00 O ATOM 364 CB THR A 28 4.727 -8.416 4.922 1.00 0.00 C ATOM 365 OG1 THR A 28 5.432 -8.769 3.727 1.00 0.00 O ATOM 366 CG2 THR A 28 4.133 -9.666 5.554 1.00 0.00 C ATOM 0 H THR A 28 2.828 -8.034 2.772 1.00 0.00 H new ATOM 0 HA THR A 28 3.145 -7.079 5.528 1.00 0.00 H new ATOM 0 HB THR A 28 5.419 -7.963 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.132 -9.421 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.930 -10.377 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.622 -9.398 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.421 -10.120 4.864 1.00 0.00 H new ATOM 374 N GLU A 29 5.038 -5.420 4.696 1.00 0.00 N ATOM 375 CA GLU A 29 5.702 -4.231 4.174 1.00 0.00 C ATOM 376 C GLU A 29 6.334 -4.514 2.814 1.00 0.00 C ATOM 377 O GLU A 29 6.562 -3.600 2.022 1.00 0.00 O ATOM 378 CB GLU A 29 6.772 -3.746 5.154 1.00 0.00 C ATOM 379 CG GLU A 29 6.241 -2.792 6.211 1.00 0.00 C ATOM 380 CD GLU A 29 7.126 -2.734 7.441 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.335 -2.459 7.289 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.610 -2.963 8.555 1.00 0.00 O ATOM 0 H GLU A 29 5.225 -5.610 5.681 1.00 0.00 H new ATOM 0 HA GLU A 29 4.951 -3.451 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.219 -4.609 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.567 -3.251 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.154 -1.793 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.238 -3.102 6.504 1.00 0.00 H new ATOM 389 N GLU A 30 6.614 -5.787 2.551 1.00 0.00 N ATOM 390 CA GLU A 30 7.220 -6.190 1.288 1.00 0.00 C ATOM 391 C GLU A 30 6.240 -6.012 0.132 1.00 0.00 C ATOM 392 O GLU A 30 6.585 -5.455 -0.911 1.00 0.00 O ATOM 393 CB GLU A 30 7.681 -7.647 1.360 1.00 0.00 C ATOM 394 CG GLU A 30 9.117 -7.809 1.830 1.00 0.00 C ATOM 395 CD GLU A 30 10.121 -7.643 0.706 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.235 -6.519 0.174 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.792 -8.637 0.358 1.00 0.00 O ATOM 0 H GLU A 30 6.431 -6.556 3.196 1.00 0.00 H new ATOM 0 HA GLU A 30 8.085 -5.551 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.023 -8.194 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.577 -8.101 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.325 -7.076 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.239 -8.795 2.279 1.00 0.00 H new ATOM 404 N THR A 31 5.014 -6.489 0.325 1.00 0.00 N ATOM 405 CA THR A 31 3.983 -6.385 -0.700 1.00 0.00 C ATOM 406 C THR A 31 3.573 -4.934 -0.922 1.00 0.00 C ATOM 407 O THR A 31 3.347 -4.508 -2.056 1.00 0.00 O ATOM 408 CB THR A 31 2.735 -7.208 -0.328 1.00 0.00 C ATOM 409 OG1 THR A 31 3.114 -8.547 0.008 1.00 0.00 O ATOM 410 CG2 THR A 31 1.739 -7.230 -1.477 1.00 0.00 C ATOM 0 H THR A 31 4.711 -6.951 1.182 1.00 0.00 H new ATOM 0 HA THR A 31 4.411 -6.784 -1.620 1.00 0.00 H new ATOM 0 HB THR A 31 2.260 -6.738 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.315 -9.063 0.245 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.866 -7.817 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.430 -6.211 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.206 -7.678 -2.354 1.00 0.00 H new ATOM 418 N LEU A 32 3.479 -4.177 0.166 1.00 0.00 N ATOM 419 CA LEU A 32 3.097 -2.772 0.090 1.00 0.00 C ATOM 420 C LEU A 32 4.144 -1.963 -0.668 1.00 0.00 C ATOM 421 O LEU A 32 3.808 -1.122 -1.502 1.00 0.00 O ATOM 422 CB LEU A 32 2.911 -2.197 1.496 1.00 0.00 C ATOM 423 CG LEU A 32 2.031 -3.012 2.444 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.995 -2.371 3.822 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.625 -3.150 1.880 1.00 0.00 C ATOM 0 H LEU A 32 3.662 -4.513 1.111 1.00 0.00 H new ATOM 0 HA LEU A 32 2.153 -2.706 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.894 -2.083 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.484 -1.198 1.405 1.00 0.00 H new ATOM 0 HG LEU A 32 2.461 -4.009 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.364 -2.965 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.005 -2.326 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.590 -1.362 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.013 -3.733 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.186 -2.161 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.668 -3.655 0.915 1.00 0.00 H new ATOM 437 N GLN A 33 5.413 -2.225 -0.375 1.00 0.00 N ATOM 438 CA GLN A 33 6.509 -1.522 -1.031 1.00 0.00 C ATOM 439 C GLN A 33 6.358 -1.573 -2.548 1.00 0.00 C ATOM 440 O GLN A 33 6.918 -0.743 -3.264 1.00 0.00 O ATOM 441 CB GLN A 33 7.852 -2.129 -0.620 1.00 0.00 C ATOM 442 CG GLN A 33 8.463 -1.477 0.610 1.00 0.00 C ATOM 443 CD GLN A 33 9.374 -0.316 0.262 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.594 -0.469 0.192 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.786 0.854 0.043 1.00 0.00 N ATOM 0 H GLN A 33 5.708 -2.919 0.312 1.00 0.00 H new ATOM 0 HA GLN A 33 6.478 -0.479 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.717 -3.193 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.551 -2.042 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.665 -1.125 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.028 -2.223 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.772 0.936 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.349 1.671 -0.194 1.00 0.00 H new ATOM 454 N GLU A 34 5.599 -2.552 -3.030 1.00 0.00 N ATOM 455 CA GLU A 34 5.377 -2.711 -4.462 1.00 0.00 C ATOM 456 C GLU A 34 4.220 -1.834 -4.933 1.00 0.00 C ATOM 457 O GLU A 34 4.266 -1.257 -6.020 1.00 0.00 O ATOM 458 CB GLU A 34 5.090 -4.176 -4.796 1.00 0.00 C ATOM 459 CG GLU A 34 6.195 -5.126 -4.367 1.00 0.00 C ATOM 460 CD GLU A 34 6.162 -6.440 -5.123 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.393 -7.338 -4.718 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.904 -6.571 -6.119 1.00 0.00 O ATOM 0 H GLU A 34 5.128 -3.246 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 34 6.283 -2.398 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.159 -4.474 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.937 -4.272 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.162 -4.646 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.105 -5.323 -3.299 1.00 0.00 H new ATOM 469 N VAL A 35 3.182 -1.740 -4.108 1.00 0.00 N ATOM 470 CA VAL A 35 2.013 -0.934 -4.438 1.00 0.00 C ATOM 471 C VAL A 35 2.321 0.555 -4.322 1.00 0.00 C ATOM 472 O VAL A 35 1.807 1.368 -5.090 1.00 0.00 O ATOM 473 CB VAL A 35 0.820 -1.274 -3.525 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.403 -0.460 -3.918 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.518 -2.764 -3.576 1.00 0.00 C ATOM 0 H VAL A 35 3.127 -2.212 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 35 1.749 -1.168 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 35 1.084 -1.015 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.235 -0.714 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.178 0.602 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.673 -0.684 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.328 -2.986 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.274 -3.051 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.391 -3.324 -3.241 1.00 0.00 H new ATOM 485 N PHE A 36 3.163 0.905 -3.356 1.00 0.00 N ATOM 486 CA PHE A 36 3.540 2.297 -3.137 1.00 0.00 C ATOM 487 C PHE A 36 5.019 2.515 -3.445 1.00 0.00 C ATOM 488 O PHE A 36 5.890 2.077 -2.694 1.00 0.00 O ATOM 489 CB PHE A 36 3.242 2.707 -1.694 1.00 0.00 C ATOM 490 CG PHE A 36 1.812 2.485 -1.290 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.855 3.461 -1.515 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.426 1.300 -0.686 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.460 3.259 -1.144 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.111 1.092 -0.313 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.833 2.073 -0.543 1.00 0.00 C ATOM 0 H PHE A 36 3.598 0.244 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 36 2.951 2.918 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.892 2.145 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.488 3.761 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.140 4.390 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.161 0.530 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.196 4.028 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.177 0.164 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.861 1.913 -0.253 1.00 0.00 H new ATOM 505 N GLU A 37 5.292 3.194 -4.555 1.00 0.00 N ATOM 506 CA GLU A 37 6.665 3.468 -4.963 1.00 0.00 C ATOM 507 C GLU A 37 7.136 4.813 -4.417 1.00 0.00 C ATOM 508 O GLU A 37 8.330 5.027 -4.206 1.00 0.00 O ATOM 509 CB GLU A 37 6.779 3.457 -6.488 1.00 0.00 C ATOM 510 CG GLU A 37 6.670 2.068 -7.096 1.00 0.00 C ATOM 511 CD GLU A 37 7.997 1.335 -7.116 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.994 1.922 -7.587 1.00 0.00 O ATOM 513 OE2 GLU A 37 8.039 0.173 -6.659 1.00 0.00 O ATOM 0 H GLU A 37 4.582 3.564 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 37 7.302 2.685 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.997 4.090 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.734 3.897 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.945 1.483 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.289 2.150 -8.114 1.00 0.00 H new ATOM 520 N LYS A 38 6.189 5.718 -4.190 1.00 0.00 N ATOM 521 CA LYS A 38 6.504 7.042 -3.669 1.00 0.00 C ATOM 522 C LYS A 38 6.614 7.016 -2.147 1.00 0.00 C ATOM 523 O LYS A 38 7.243 7.885 -1.546 1.00 0.00 O ATOM 524 CB LYS A 38 5.434 8.049 -4.096 1.00 0.00 C ATOM 525 CG LYS A 38 4.970 7.871 -5.531 1.00 0.00 C ATOM 526 CD LYS A 38 5.980 8.432 -6.518 1.00 0.00 C ATOM 527 CE LYS A 38 6.997 7.380 -6.933 1.00 0.00 C ATOM 528 NZ LYS A 38 6.548 6.617 -8.130 1.00 0.00 N ATOM 0 H LYS A 38 5.196 5.557 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 38 7.466 7.347 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.575 7.958 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.827 9.058 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.811 6.812 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.010 8.369 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.460 8.805 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.496 9.281 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.951 7.862 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.165 6.691 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.268 5.910 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.650 6.137 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.412 7.271 -8.927 1.00 0.00 H new ATOM 542 N ALA A 39 5.997 6.012 -1.532 1.00 0.00 N ATOM 543 CA ALA A 39 6.029 5.871 -0.081 1.00 0.00 C ATOM 544 C ALA A 39 7.463 5.818 0.434 1.00 0.00 C ATOM 545 O ALA A 39 8.182 4.845 0.203 1.00 0.00 O ATOM 546 CB ALA A 39 5.266 4.625 0.344 1.00 0.00 C ATOM 0 H ALA A 39 5.469 5.285 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 39 5.547 6.746 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.298 4.532 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.229 4.704 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.724 3.746 -0.109 1.00 0.00 H new ATOM 552 N THR A 40 7.875 6.871 1.134 1.00 0.00 N ATOM 553 CA THR A 40 9.224 6.945 1.680 1.00 0.00 C ATOM 554 C THR A 40 9.426 5.916 2.787 1.00 0.00 C ATOM 555 O THR A 40 10.555 5.640 3.192 1.00 0.00 O ATOM 556 CB THR A 40 9.528 8.348 2.238 1.00 0.00 C ATOM 557 OG1 THR A 40 8.693 8.617 3.370 1.00 0.00 O ATOM 558 CG2 THR A 40 9.307 9.413 1.174 1.00 0.00 C ATOM 0 H THR A 40 7.293 7.684 1.336 1.00 0.00 H new ATOM 0 HA THR A 40 9.909 6.732 0.860 1.00 0.00 H new ATOM 0 HB THR A 40 10.574 8.374 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.894 9.510 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.528 10.395 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.965 9.222 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.269 9.385 0.841 1.00 0.00 H new ATOM 566 N PHE A 41 8.325 5.351 3.271 1.00 0.00 N ATOM 567 CA PHE A 41 8.382 4.351 4.332 1.00 0.00 C ATOM 568 C PHE A 41 7.021 3.691 4.530 1.00 0.00 C ATOM 569 O PHE A 41 5.980 4.318 4.332 1.00 0.00 O ATOM 570 CB PHE A 41 8.846 4.993 5.641 1.00 0.00 C ATOM 571 CG PHE A 41 9.398 4.006 6.629 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.723 3.605 6.562 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.593 3.479 7.626 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.233 2.696 7.470 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.097 2.570 8.537 1.00 0.00 C ATOM 576 CZ PHE A 41 10.420 2.179 8.459 1.00 0.00 C ATOM 0 H PHE A 41 7.383 5.568 2.946 1.00 0.00 H new ATOM 0 HA PHE A 41 9.098 3.584 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.609 5.739 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.007 5.520 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.364 4.007 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.559 3.782 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.267 2.390 7.406 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.458 2.166 9.308 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.817 1.470 9.170 1.00 0.00 H new ATOM 586 N ILE A 42 7.038 2.421 4.921 1.00 0.00 N ATOM 587 CA ILE A 42 5.806 1.675 5.147 1.00 0.00 C ATOM 588 C ILE A 42 5.864 0.903 6.460 1.00 0.00 C ATOM 589 O ILE A 42 6.855 0.237 6.759 1.00 0.00 O ATOM 590 CB ILE A 42 5.526 0.690 3.997 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.251 1.452 2.699 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.352 -0.212 4.347 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.188 0.562 1.477 1.00 0.00 C ATOM 0 H ILE A 42 7.891 1.887 5.088 1.00 0.00 H new ATOM 0 HA ILE A 42 4.998 2.406 5.194 1.00 0.00 H new ATOM 0 HB ILE A 42 6.408 0.066 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.308 1.990 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.031 2.200 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.166 -0.903 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.584 -0.777 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.464 0.396 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.990 1.170 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.139 0.044 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.389 -0.170 1.600 1.00 0.00 H new ATOM 605 N LYS A 43 4.793 0.995 7.242 1.00 0.00 N ATOM 606 CA LYS A 43 4.719 0.303 8.523 1.00 0.00 C ATOM 607 C LYS A 43 3.452 -0.542 8.612 1.00 0.00 C ATOM 608 O LYS A 43 2.358 -0.074 8.299 1.00 0.00 O ATOM 609 CB LYS A 43 4.753 1.311 9.674 1.00 0.00 C ATOM 610 CG LYS A 43 5.196 0.710 10.996 1.00 0.00 C ATOM 611 CD LYS A 43 6.711 0.658 11.106 1.00 0.00 C ATOM 612 CE LYS A 43 7.157 -0.276 12.221 1.00 0.00 C ATOM 613 NZ LYS A 43 8.547 0.017 12.667 1.00 0.00 N ATOM 0 H LYS A 43 3.964 1.542 7.010 1.00 0.00 H new ATOM 0 HA LYS A 43 5.583 -0.358 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.427 2.127 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.760 1.744 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.791 1.299 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.789 -0.296 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.134 0.324 10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.098 1.660 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.477 -0.182 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.096 -1.308 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.814 -0.641 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.200 -0.097 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.600 0.994 13.020 1.00 0.00 H new ATOM 627 N VAL A 44 3.608 -1.790 9.042 1.00 0.00 N ATOM 628 CA VAL A 44 2.477 -2.700 9.175 1.00 0.00 C ATOM 629 C VAL A 44 2.504 -3.419 10.519 1.00 0.00 C ATOM 630 O VAL A 44 3.240 -4.385 10.720 1.00 0.00 O ATOM 631 CB VAL A 44 2.464 -3.748 8.046 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.808 -4.453 7.955 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.340 -4.750 8.263 1.00 0.00 C ATOM 0 H VAL A 44 4.507 -2.194 9.304 1.00 0.00 H new ATOM 0 HA VAL A 44 1.574 -2.093 9.109 1.00 0.00 H new ATOM 0 HB VAL A 44 2.286 -3.236 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.779 -5.189 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.589 -3.722 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.021 -4.954 8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.345 -5.483 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.485 -5.258 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.383 -4.227 8.272 1.00 0.00 H new ATOM 643 N PRO A 45 1.682 -2.938 11.464 1.00 0.00 N ATOM 644 CA PRO A 45 1.593 -3.520 12.806 1.00 0.00 C ATOM 645 C PRO A 45 0.937 -4.897 12.799 1.00 0.00 C ATOM 646 O PRO A 45 -0.199 -5.050 12.353 1.00 0.00 O ATOM 647 CB PRO A 45 0.723 -2.518 13.570 1.00 0.00 C ATOM 648 CG PRO A 45 -0.092 -1.847 12.520 1.00 0.00 C ATOM 649 CD PRO A 45 0.777 -1.789 11.294 1.00 0.00 C ATOM 0 HA PRO A 45 2.577 -3.676 13.248 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.090 -3.020 14.302 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.334 -1.799 14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.008 -2.403 12.323 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.388 -0.847 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.189 -1.872 10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.327 -0.850 11.235 1.00 0.00 H new ATOM 657 N GLN A 46 1.661 -5.895 13.295 1.00 0.00 N ATOM 658 CA GLN A 46 1.149 -7.259 13.344 1.00 0.00 C ATOM 659 C GLN A 46 1.061 -7.756 14.784 1.00 0.00 C ATOM 660 O GLN A 46 1.426 -7.045 15.719 1.00 0.00 O ATOM 661 CB GLN A 46 2.042 -8.192 12.524 1.00 0.00 C ATOM 662 CG GLN A 46 2.244 -7.733 11.089 1.00 0.00 C ATOM 663 CD GLN A 46 3.255 -8.581 10.343 1.00 0.00 C ATOM 664 OE1 GLN A 46 4.257 -9.016 10.911 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.998 -8.820 9.062 1.00 0.00 N ATOM 0 H GLN A 46 2.604 -5.785 13.669 1.00 0.00 H new ATOM 0 HA GLN A 46 0.146 -7.259 12.916 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.014 -8.273 13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.604 -9.190 12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.290 -7.765 10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.574 -6.694 11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.155 -8.440 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.643 -9.384 8.509 1.00 0.00 H new ATOM 726 N LYS A 51 0.157 -11.709 12.637 1.00 0.00 N ATOM 727 CA LYS A 51 -1.054 -11.347 11.911 1.00 0.00 C ATOM 728 C LYS A 51 -1.282 -9.839 11.949 1.00 0.00 C ATOM 729 O LYS A 51 -1.410 -9.248 13.021 1.00 0.00 O ATOM 730 CB LYS A 51 -2.265 -12.071 12.504 1.00 0.00 C ATOM 731 CG LYS A 51 -2.425 -13.497 12.005 1.00 0.00 C ATOM 732 CD LYS A 51 -3.575 -14.205 12.701 1.00 0.00 C ATOM 733 CE LYS A 51 -3.514 -15.710 12.487 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.525 -16.428 13.312 1.00 0.00 N ATOM 0 HA LYS A 51 -0.929 -11.652 10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.175 -12.083 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.167 -11.508 12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.599 -13.490 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.500 -14.049 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.545 -13.987 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.522 -13.821 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.679 -15.934 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.517 -16.073 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.452 -17.451 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.352 -16.235 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.478 -16.101 13.055 1.00 0.00 H new ATOM 748 N SER A 52 -1.333 -9.223 10.772 1.00 0.00 N ATOM 749 CA SER A 52 -1.543 -7.784 10.672 1.00 0.00 C ATOM 750 C SER A 52 -2.790 -7.361 11.442 1.00 0.00 C ATOM 751 O SER A 52 -3.892 -7.842 11.175 1.00 0.00 O ATOM 752 CB SER A 52 -1.670 -7.366 9.205 1.00 0.00 C ATOM 753 OG SER A 52 -2.744 -8.043 8.574 1.00 0.00 O ATOM 0 H SER A 52 -1.232 -9.698 9.875 1.00 0.00 H new ATOM 0 HA SER A 52 -0.679 -7.285 11.112 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.828 -6.289 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.740 -7.583 8.680 1.00 0.00 H new ATOM 0 HG SER A 52 -3.487 -8.138 9.206 1.00 0.00 H new ATOM 759 N LYS A 53 -2.609 -6.459 12.400 1.00 0.00 N ATOM 760 CA LYS A 53 -3.718 -5.969 13.210 1.00 0.00 C ATOM 761 C LYS A 53 -4.938 -5.677 12.343 1.00 0.00 C ATOM 762 O LYS A 53 -6.076 -5.777 12.801 1.00 0.00 O ATOM 763 CB LYS A 53 -3.304 -4.705 13.968 1.00 0.00 C ATOM 764 CG LYS A 53 -2.090 -4.901 14.859 1.00 0.00 C ATOM 765 CD LYS A 53 -2.134 -3.985 16.070 1.00 0.00 C ATOM 766 CE LYS A 53 -1.308 -4.540 17.220 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.814 -4.078 18.542 1.00 0.00 N ATOM 0 H LYS A 53 -1.704 -6.052 12.635 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.981 -6.746 13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.093 -3.913 13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.141 -4.367 14.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.043 -5.939 15.188 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.183 -4.707 14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.760 -2.999 15.795 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.167 -3.856 16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.324 -5.629 17.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.269 -4.233 17.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.224 -4.478 19.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.775 -3.040 18.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.797 -4.393 18.667 1.00 0.00 H new ATOM 781 N GLY A 54 -4.694 -5.318 11.086 1.00 0.00 N ATOM 782 CA GLY A 54 -5.783 -5.019 10.174 1.00 0.00 C ATOM 783 C GLY A 54 -5.620 -3.672 9.498 1.00 0.00 C ATOM 784 O GLY A 54 -6.463 -3.264 8.700 1.00 0.00 O ATOM 0 H GLY A 54 -3.761 -5.229 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.841 -5.799 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.726 -5.036 10.721 1.00 0.00 H new ATOM 788 N TYR A 55 -4.533 -2.978 9.820 1.00 0.00 N ATOM 789 CA TYR A 55 -4.265 -1.667 9.241 1.00 0.00 C ATOM 790 C TYR A 55 -2.765 -1.438 9.083 1.00 0.00 C ATOM 791 O TYR A 55 -1.952 -2.249 9.526 1.00 0.00 O ATOM 792 CB TYR A 55 -4.871 -0.567 10.114 1.00 0.00 C ATOM 793 CG TYR A 55 -4.766 -0.844 11.596 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.584 -1.786 12.207 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.849 -0.162 12.387 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.492 -2.042 13.562 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.748 -0.412 13.742 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.572 -1.352 14.325 1.00 0.00 C ATOM 799 OH TYR A 55 -4.476 -1.603 15.674 1.00 0.00 O ATOM 0 H TYR A 55 -3.824 -3.302 10.478 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.726 -1.633 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.372 0.377 9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.921 -0.442 9.850 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.305 -2.328 11.613 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.204 0.577 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.136 -2.777 14.021 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.028 0.125 14.341 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.779 -1.034 16.064 1.00 0.00 H new ATOM 809 N ALA A 56 -2.406 -0.327 8.449 1.00 0.00 N ATOM 810 CA ALA A 56 -1.004 0.012 8.235 1.00 0.00 C ATOM 811 C ALA A 56 -0.815 1.521 8.122 1.00 0.00 C ATOM 812 O ALA A 56 -1.778 2.265 7.934 1.00 0.00 O ATOM 813 CB ALA A 56 -0.479 -0.683 6.987 1.00 0.00 C ATOM 0 H ALA A 56 -3.066 0.354 8.074 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.435 -0.335 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.569 -0.422 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.570 -1.763 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.059 -0.363 6.121 1.00 0.00 H new ATOM 819 N PHE A 57 0.431 1.967 8.239 1.00 0.00 N ATOM 820 CA PHE A 57 0.746 3.388 8.152 1.00 0.00 C ATOM 821 C PHE A 57 1.759 3.653 7.042 1.00 0.00 C ATOM 822 O PHE A 57 2.931 3.295 7.159 1.00 0.00 O ATOM 823 CB PHE A 57 1.293 3.893 9.489 1.00 0.00 C ATOM 824 CG PHE A 57 0.254 3.970 10.571 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.725 4.950 10.542 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.257 3.062 11.618 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.682 5.023 11.536 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.698 3.130 12.614 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.668 4.112 12.574 1.00 0.00 C ATOM 0 H PHE A 57 1.239 1.365 8.394 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.173 3.925 7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.098 3.234 9.815 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.729 4.881 9.344 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.740 5.665 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.014 2.293 11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.440 5.791 11.501 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.686 2.415 13.424 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.414 4.168 13.353 1.00 0.00 H new ATOM 839 N ILE A 58 1.298 4.283 5.967 1.00 0.00 N ATOM 840 CA ILE A 58 2.163 4.597 4.837 1.00 0.00 C ATOM 841 C ILE A 58 2.703 6.020 4.936 1.00 0.00 C ATOM 842 O ILE A 58 1.960 6.956 5.227 1.00 0.00 O ATOM 843 CB ILE A 58 1.420 4.434 3.497 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.574 3.159 3.509 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.410 4.409 2.342 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.361 1.916 3.860 1.00 0.00 C ATOM 0 H ILE A 58 0.331 4.586 5.855 1.00 0.00 H new ATOM 0 HA ILE A 58 2.994 3.893 4.871 1.00 0.00 H new ATOM 0 HB ILE A 58 0.755 5.287 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.239 3.279 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.118 3.026 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.870 4.293 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.973 5.342 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.098 3.573 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.698 1.051 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.158 1.772 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.795 2.029 4.854 1.00 0.00 H new ATOM 858 N GLU A 59 4.000 6.173 4.691 1.00 0.00 N ATOM 859 CA GLU A 59 4.639 7.482 4.752 1.00 0.00 C ATOM 860 C GLU A 59 5.088 7.934 3.365 1.00 0.00 C ATOM 861 O GLU A 59 5.532 7.125 2.550 1.00 0.00 O ATOM 862 CB GLU A 59 5.838 7.445 5.702 1.00 0.00 C ATOM 863 CG GLU A 59 6.113 8.773 6.387 1.00 0.00 C ATOM 864 CD GLU A 59 5.374 8.914 7.703 1.00 0.00 C ATOM 865 OE1 GLU A 59 4.416 8.145 7.932 1.00 0.00 O ATOM 866 OE2 GLU A 59 5.753 9.793 8.505 1.00 0.00 O ATOM 0 H GLU A 59 4.629 5.407 4.449 1.00 0.00 H new ATOM 0 HA GLU A 59 3.908 8.197 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.665 6.683 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.724 7.143 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.184 8.872 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.823 9.587 5.723 1.00 0.00 H new ATOM 873 N PHE A 60 4.968 9.232 3.105 1.00 0.00 N ATOM 874 CA PHE A 60 5.360 9.792 1.817 1.00 0.00 C ATOM 875 C PHE A 60 6.200 11.051 2.004 1.00 0.00 C ATOM 876 O PHE A 60 6.523 11.433 3.129 1.00 0.00 O ATOM 877 CB PHE A 60 4.120 10.113 0.978 1.00 0.00 C ATOM 878 CG PHE A 60 3.337 8.896 0.577 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.603 8.188 1.515 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.334 8.460 -0.738 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.880 7.068 1.149 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.613 7.341 -1.110 1.00 0.00 C ATOM 883 CZ PHE A 60 1.886 6.643 -0.165 1.00 0.00 C ATOM 0 H PHE A 60 4.603 9.915 3.769 1.00 0.00 H new ATOM 0 HA PHE A 60 5.962 9.049 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.472 10.782 1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.427 10.650 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.596 8.515 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.902 9.001 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.311 6.526 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.618 7.012 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.324 5.767 -0.453 1.00 0.00 H new ATOM 893 N ALA A 61 6.552 11.692 0.894 1.00 0.00 N ATOM 894 CA ALA A 61 7.354 12.908 0.935 1.00 0.00 C ATOM 895 C ALA A 61 6.512 14.107 1.360 1.00 0.00 C ATOM 896 O ALA A 61 7.008 15.027 2.009 1.00 0.00 O ATOM 897 CB ALA A 61 7.994 13.165 -0.421 1.00 0.00 C ATOM 0 H ALA A 61 6.294 11.389 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 61 8.142 12.769 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.590 14.077 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.636 12.325 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.215 13.278 -1.175 1.00 0.00 H new ATOM 903 N SER A 62 5.236 14.089 0.989 1.00 0.00 N ATOM 904 CA SER A 62 4.325 15.176 1.327 1.00 0.00 C ATOM 905 C SER A 62 2.903 14.854 0.879 1.00 0.00 C ATOM 906 O SER A 62 2.650 13.808 0.282 1.00 0.00 O ATOM 907 CB SER A 62 4.793 16.481 0.680 1.00 0.00 C ATOM 908 OG SER A 62 4.309 16.593 -0.648 1.00 0.00 O ATOM 0 H SER A 62 4.809 13.333 0.454 1.00 0.00 H new ATOM 0 HA SER A 62 4.327 15.294 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.445 17.329 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.882 16.520 0.678 1.00 0.00 H new ATOM 0 HG SER A 62 4.620 17.436 -1.040 1.00 0.00 H new ATOM 914 N PHE A 63 1.977 15.761 1.173 1.00 0.00 N ATOM 915 CA PHE A 63 0.579 15.574 0.802 1.00 0.00 C ATOM 916 C PHE A 63 0.443 15.321 -0.696 1.00 0.00 C ATOM 917 O PHE A 63 -0.608 14.893 -1.170 1.00 0.00 O ATOM 918 CB PHE A 63 -0.244 16.801 1.200 1.00 0.00 C ATOM 919 CG PHE A 63 -1.472 16.997 0.358 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.459 16.025 0.311 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.641 18.154 -0.386 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.589 16.203 -0.464 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.770 18.338 -1.162 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.746 17.361 -1.200 1.00 0.00 C ATOM 0 H PHE A 63 2.169 16.632 1.667 1.00 0.00 H new ATOM 0 HA PHE A 63 0.201 14.702 1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.541 16.707 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.383 17.689 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.344 15.118 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.881 18.921 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.349 15.437 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.889 19.244 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.630 17.503 -1.804 1.00 0.00 H new ATOM 934 N GLU A 64 1.515 15.589 -1.435 1.00 0.00 N ATOM 935 CA GLU A 64 1.515 15.391 -2.880 1.00 0.00 C ATOM 936 C GLU A 64 1.835 13.941 -3.231 1.00 0.00 C ATOM 937 O GLU A 64 1.073 13.279 -3.936 1.00 0.00 O ATOM 938 CB GLU A 64 2.530 16.324 -3.545 1.00 0.00 C ATOM 939 CG GLU A 64 1.944 17.663 -3.959 1.00 0.00 C ATOM 940 CD GLU A 64 1.393 17.648 -5.372 1.00 0.00 C ATOM 941 OE1 GLU A 64 2.018 17.012 -6.246 1.00 0.00 O ATOM 942 OE2 GLU A 64 0.336 18.271 -5.603 1.00 0.00 O ATOM 0 H GLU A 64 2.394 15.943 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 64 0.518 15.625 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.358 16.496 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.943 15.830 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.149 17.937 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.713 18.431 -3.881 1.00 0.00 H new ATOM 949 N ASP A 65 2.967 13.454 -2.734 1.00 0.00 N ATOM 950 CA ASP A 65 3.389 12.083 -2.994 1.00 0.00 C ATOM 951 C ASP A 65 2.397 11.087 -2.401 1.00 0.00 C ATOM 952 O ASP A 65 2.153 10.024 -2.971 1.00 0.00 O ATOM 953 CB ASP A 65 4.784 11.837 -2.416 1.00 0.00 C ATOM 954 CG ASP A 65 5.865 12.576 -3.180 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.534 13.558 -3.877 1.00 0.00 O ATOM 956 OD2 ASP A 65 7.043 12.172 -3.082 1.00 0.00 O ATOM 0 H ASP A 65 3.609 13.989 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 65 3.421 11.938 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.802 12.150 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.998 10.768 -2.432 1.00 0.00 H new ATOM 961 N ALA A 66 1.829 11.439 -1.252 1.00 0.00 N ATOM 962 CA ALA A 66 0.863 10.578 -0.582 1.00 0.00 C ATOM 963 C ALA A 66 -0.451 10.522 -1.353 1.00 0.00 C ATOM 964 O ALA A 66 -1.012 9.448 -1.568 1.00 0.00 O ATOM 965 CB ALA A 66 0.622 11.061 0.841 1.00 0.00 C ATOM 0 H ALA A 66 2.022 12.315 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 66 1.276 9.570 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.102 10.408 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.560 11.042 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.235 12.080 0.819 1.00 0.00 H new ATOM 971 N LYS A 67 -0.938 11.687 -1.768 1.00 0.00 N ATOM 972 CA LYS A 67 -2.187 11.772 -2.516 1.00 0.00 C ATOM 973 C LYS A 67 -2.051 11.099 -3.879 1.00 0.00 C ATOM 974 O LYS A 67 -3.039 10.653 -4.461 1.00 0.00 O ATOM 975 CB LYS A 67 -2.598 13.235 -2.697 1.00 0.00 C ATOM 976 CG LYS A 67 -3.736 13.429 -3.685 1.00 0.00 C ATOM 977 CD LYS A 67 -5.046 12.884 -3.141 1.00 0.00 C ATOM 978 CE LYS A 67 -5.591 13.758 -2.022 1.00 0.00 C ATOM 979 NZ LYS A 67 -7.048 13.539 -1.807 1.00 0.00 N ATOM 0 H LYS A 67 -0.486 12.586 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.958 11.252 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.894 13.643 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.734 13.808 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.847 14.490 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.494 12.929 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.778 12.823 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.894 11.870 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.052 13.545 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.413 14.807 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.381 14.153 -1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.566 13.767 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.216 12.544 -1.554 1.00 0.00 H new ATOM 993 N GLU A 68 -0.822 11.029 -4.379 1.00 0.00 N ATOM 994 CA GLU A 68 -0.559 10.410 -5.673 1.00 0.00 C ATOM 995 C GLU A 68 -0.887 8.920 -5.640 1.00 0.00 C ATOM 996 O GLU A 68 -1.415 8.368 -6.604 1.00 0.00 O ATOM 997 CB GLU A 68 0.905 10.612 -6.072 1.00 0.00 C ATOM 998 CG GLU A 68 1.367 9.682 -7.181 1.00 0.00 C ATOM 999 CD GLU A 68 2.470 10.288 -8.028 1.00 0.00 C ATOM 1000 OE1 GLU A 68 3.325 11.003 -7.466 1.00 0.00 O ATOM 1001 OE2 GLU A 68 2.477 10.045 -9.253 1.00 0.00 O ATOM 0 H GLU A 68 0.007 11.393 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.200 10.889 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.046 11.644 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.536 10.461 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.721 8.749 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.519 9.434 -7.819 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.569 8.275 -4.522 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.831 6.850 -4.361 1.00 0.00 C ATOM 1010 C ALA A 69 -2.208 6.611 -3.750 1.00 0.00 C ATOM 1011 O ALA A 69 -2.868 5.616 -4.052 1.00 0.00 O ATOM 1012 CB ALA A 69 0.249 6.209 -3.503 1.00 0.00 C ATOM 0 H ALA A 69 -0.130 8.717 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.816 6.388 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.041 5.145 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.220 6.341 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.262 6.682 -2.521 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.635 7.527 -2.888 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.933 7.415 -2.233 1.00 0.00 C ATOM 1020 C LEU A 70 -5.067 7.543 -3.245 1.00 0.00 C ATOM 1021 O LEU A 70 -6.180 7.075 -3.009 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.076 8.488 -1.152 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.500 8.959 -0.857 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.271 7.886 -0.104 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.480 10.259 -0.066 1.00 0.00 C ATOM 0 H LEU A 70 -2.101 8.356 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.994 6.430 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.643 8.104 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.482 9.353 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.005 9.143 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.283 8.239 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.316 6.979 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.768 7.670 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.503 10.579 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.957 10.103 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.966 11.028 -0.643 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.775 8.179 -4.376 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.769 8.367 -5.426 1.00 0.00 C ATOM 1039 C ASN A 71 -6.016 7.064 -6.181 1.00 0.00 C ATOM 1040 O ASN A 71 -7.149 6.751 -6.544 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.313 9.455 -6.399 1.00 0.00 C ATOM 1042 CG ASN A 71 -5.784 10.836 -5.985 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -6.934 11.017 -5.582 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -4.896 11.818 -6.082 1.00 0.00 N ATOM 0 H ASN A 71 -3.858 8.572 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.703 8.677 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.225 9.449 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.691 9.229 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.156 12.768 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.954 11.622 -6.421 1.00 0.00 H new ATOM 1051 N SER A 72 -4.947 6.309 -6.413 1.00 0.00 N ATOM 1052 CA SER A 72 -5.046 5.042 -7.127 1.00 0.00 C ATOM 1053 C SER A 72 -5.116 3.872 -6.151 1.00 0.00 C ATOM 1054 O SER A 72 -6.116 3.156 -6.093 1.00 0.00 O ATOM 1055 CB SER A 72 -3.852 4.867 -8.067 1.00 0.00 C ATOM 1056 OG SER A 72 -4.200 4.081 -9.194 1.00 0.00 O ATOM 0 H SER A 72 -4.002 6.553 -6.117 1.00 0.00 H new ATOM 0 HA SER A 72 -5.963 5.056 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.499 5.844 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.029 4.395 -7.530 1.00 0.00 H new ATOM 0 HG SER A 72 -3.420 3.986 -9.780 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.046 3.684 -5.386 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.984 2.600 -4.412 1.00 0.00 C ATOM 1064 C CYS A 73 -5.333 2.405 -3.729 1.00 0.00 C ATOM 1065 O CYS A 73 -5.694 1.290 -3.353 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.906 2.889 -3.365 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.259 3.165 -4.059 1.00 0.00 S ATOM 0 H CYS A 73 -3.210 4.268 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.730 1.682 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.199 3.768 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.859 2.053 -2.667 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.397 3.289 -3.094 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.074 3.497 -3.570 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.384 3.446 -2.930 1.00 0.00 C ATOM 1075 C ASN A 74 -8.107 2.147 -3.274 1.00 0.00 C ATOM 1076 O ASN A 74 -8.320 1.833 -4.445 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.232 4.644 -3.360 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.215 5.072 -2.287 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.412 5.201 -2.543 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.712 5.292 -1.078 1.00 0.00 N ATOM 0 H ASN A 74 -5.790 4.428 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.235 3.484 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.577 5.481 -3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.778 4.392 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.325 5.581 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.713 5.172 -0.912 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.483 1.395 -2.245 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.185 0.132 -2.436 1.00 0.00 C ATOM 1089 C LYS A 75 -8.361 -0.823 -3.294 1.00 0.00 C ATOM 1090 O LYS A 75 -8.839 -1.329 -4.310 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.548 0.374 -3.088 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.401 1.393 -2.353 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.274 0.733 -1.299 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.948 1.764 -0.407 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.748 1.124 0.674 1.00 0.00 N ATOM 0 H LYS A 75 -8.313 1.639 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.335 -0.323 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.396 0.711 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.089 -0.571 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.757 2.135 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.030 1.925 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.033 0.120 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.667 0.064 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.191 2.411 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.596 2.399 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.191 1.860 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.487 0.526 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.125 0.538 1.266 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.122 -1.067 -2.879 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.233 -1.961 -3.610 1.00 0.00 C ATOM 1111 C ARG A 76 -6.418 -3.405 -3.153 1.00 0.00 C ATOM 1112 O ARG A 76 -6.240 -3.721 -1.977 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.776 -1.536 -3.418 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.774 -2.506 -4.022 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.727 -2.386 -5.538 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.576 -3.081 -6.106 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.318 -3.133 -7.408 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -3.125 -2.532 -8.272 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.250 -3.786 -7.849 1.00 0.00 N ATOM 0 H ARG A 76 -6.711 -0.658 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.486 -1.898 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.631 -0.552 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.573 -1.435 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.784 -2.312 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.040 -3.526 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.644 -2.795 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.689 -1.333 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.935 -3.553 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.946 -2.028 -7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.924 -2.574 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.626 -4.249 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.053 -3.825 -8.849 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.777 -4.276 -4.091 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.987 -5.686 -3.783 1.00 0.00 C ATOM 1135 C GLU A 77 -5.656 -6.403 -3.581 1.00 0.00 C ATOM 1136 O GLU A 77 -4.955 -6.716 -4.544 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.779 -6.363 -4.903 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.285 -6.293 -4.713 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.046 -6.480 -6.011 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.820 -5.689 -6.951 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.868 -7.417 -6.087 1.00 0.00 O ATOM 0 H GLU A 77 -6.928 -4.030 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.557 -5.748 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.519 -5.896 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.478 -7.409 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.594 -7.059 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.548 -5.329 -4.278 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.314 -6.659 -2.322 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.067 -7.340 -1.994 1.00 0.00 C ATOM 1150 C ILE A 78 -4.330 -8.623 -1.213 1.00 0.00 C ATOM 1151 O ILE A 78 -5.094 -8.628 -0.248 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.132 -6.434 -1.171 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.838 -5.140 -1.933 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.839 -7.167 -0.842 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.741 -4.307 -1.309 1.00 0.00 C ATOM 0 H ILE A 78 -5.882 -6.405 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.583 -7.586 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.630 -6.177 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.558 -5.387 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.749 -4.544 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.188 -6.514 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.066 -8.063 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.336 -7.450 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.587 -3.406 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.027 -4.030 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.817 -4.885 -1.280 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.691 -9.708 -1.637 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.856 -10.998 -0.976 1.00 0.00 C ATOM 1169 C GLU A 79 -5.327 -11.402 -0.930 1.00 0.00 C ATOM 1170 O GLU A 79 -5.745 -12.166 -0.062 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.286 -10.945 0.443 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.785 -11.178 0.506 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.405 -12.615 0.208 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.167 -13.524 0.597 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.344 -12.830 -0.416 1.00 0.00 O ATOM 0 H GLU A 79 -3.055 -9.720 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.310 -11.745 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.513 -9.973 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.787 -11.695 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.289 -10.520 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.420 -10.908 1.497 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.107 -10.881 -1.872 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.522 -11.197 -1.922 1.00 0.00 C ATOM 1184 C GLY A 80 -8.331 -10.395 -0.922 1.00 0.00 C ATOM 1185 O GLY A 80 -9.428 -10.798 -0.534 1.00 0.00 O ATOM 0 H GLY A 80 -5.784 -10.246 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.899 -11.005 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.661 -12.260 -1.727 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.789 -9.256 -0.502 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.466 -8.397 0.461 1.00 0.00 C ATOM 1191 C ARG A 81 -8.298 -6.926 0.090 1.00 0.00 C ATOM 1192 O ARG A 81 -7.192 -6.388 0.132 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.922 -8.644 1.869 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.498 -9.883 2.536 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.088 -9.970 3.998 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.031 -10.761 4.784 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.297 -10.411 4.982 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.770 -9.291 4.453 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -11.094 -11.183 5.710 1.00 0.00 N ATOM 0 H ARG A 81 -6.883 -8.907 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.528 -8.640 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.837 -8.740 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.137 -7.774 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.585 -9.865 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.157 -10.774 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.095 -10.413 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.020 -8.966 4.416 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.699 -11.629 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.161 -8.695 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.743 -9.025 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.735 -12.046 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.066 -10.913 5.861 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.403 -6.283 -0.273 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.378 -4.875 -0.650 1.00 0.00 C ATOM 1215 C ALA A 82 -8.847 -4.011 0.490 1.00 0.00 C ATOM 1216 O ALA A 82 -9.301 -4.124 1.629 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.768 -4.414 -1.061 1.00 0.00 C ATOM 0 H ALA A 82 -10.326 -6.715 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.704 -4.764 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.734 -3.361 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.110 -5.004 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.457 -4.547 -0.227 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.886 -3.150 0.175 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.294 -2.267 1.173 1.00 0.00 C ATOM 1225 C ILE A 83 -7.657 -0.811 0.903 1.00 0.00 C ATOM 1226 O ILE A 83 -7.517 -0.324 -0.219 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.761 -2.405 1.209 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.136 -1.703 0.001 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.361 -3.873 1.241 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.805 -0.249 0.252 1.00 0.00 C ATOM 0 H ILE A 83 -7.500 -3.045 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.699 -2.567 2.139 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.389 -1.928 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.226 -2.230 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.822 -1.771 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.274 -3.954 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.781 -4.345 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.741 -4.373 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.366 0.184 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.716 0.292 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.095 -0.174 1.075 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.122 -0.121 1.939 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.504 1.281 1.813 1.00 0.00 C ATOM 1244 C ARG A 84 -7.442 2.191 2.424 1.00 0.00 C ATOM 1245 O ARG A 84 -6.755 1.811 3.374 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.852 1.527 2.492 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.340 2.962 2.378 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.281 3.323 3.516 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.490 2.504 3.506 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.542 2.738 4.283 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.534 3.761 5.126 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -14.606 1.947 4.217 1.00 0.00 N ATOM 0 H ARG A 84 -8.243 -0.509 2.874 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.591 1.514 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.597 0.863 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.772 1.262 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.486 3.639 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.851 3.099 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.765 3.196 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.555 4.375 3.440 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.529 1.709 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.719 4.371 5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.343 3.938 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.616 1.159 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.413 2.127 4.814 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.311 3.392 1.872 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.333 4.357 2.362 1.00 0.00 C ATOM 1268 C LEU A 85 -6.999 5.687 2.696 1.00 0.00 C ATOM 1269 O LEU A 85 -7.768 6.224 1.899 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.233 4.571 1.320 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.498 3.315 0.851 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.026 3.477 -0.585 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.324 3.010 1.770 1.00 0.00 C ATOM 0 H LEU A 85 -7.870 3.721 1.085 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.889 3.956 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.675 5.055 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.500 5.264 1.732 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.192 2.475 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.505 2.573 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.886 3.646 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.348 4.328 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.812 2.113 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.629 3.850 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.688 2.849 2.784 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.697 6.215 3.878 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.266 7.484 4.316 1.00 0.00 C ATOM 1287 C GLU A 86 -6.188 8.391 4.901 1.00 0.00 C ATOM 1288 O GLU A 86 -5.348 7.950 5.686 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.365 7.244 5.354 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.750 7.088 4.749 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.855 7.242 5.775 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.753 6.624 6.855 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.823 7.981 5.497 1.00 0.00 O ATOM 0 H GLU A 86 -6.062 5.784 4.549 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.699 7.978 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.124 6.347 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.377 8.076 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.884 7.830 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.829 6.107 4.280 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.217 9.661 4.511 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.242 10.632 4.996 1.00 0.00 C ATOM 1302 C LEU A 87 -5.319 10.770 6.513 1.00 0.00 C ATOM 1303 O LEU A 87 -6.387 11.025 7.069 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.476 11.992 4.336 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.015 12.122 2.884 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.172 13.555 2.400 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.570 11.664 2.740 1.00 0.00 C ATOM 0 H LEU A 87 -6.904 10.042 3.861 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.247 10.274 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.542 12.216 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.967 12.753 4.927 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.642 11.480 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.839 13.628 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.220 13.848 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.570 14.217 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.259 11.763 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.929 12.279 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.487 10.621 3.045 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.179 10.603 7.176 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.118 10.710 8.629 1.00 0.00 C ATOM 1321 C GLN A 88 -4.243 12.164 9.073 1.00 0.00 C ATOM 1322 O GLN A 88 -3.925 13.083 8.320 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.808 10.116 9.151 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.921 9.529 10.548 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.569 9.303 11.197 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.024 10.193 11.850 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.020 8.106 11.020 1.00 0.00 N ATOM 0 H GLN A 88 -3.286 10.393 6.730 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.954 10.148 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.473 9.338 8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.042 10.892 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.512 10.199 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.459 8.582 10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.507 7.398 10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.111 7.896 11.433 1.00 0.00 H new