USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.53) USER MOD Single : A 17 SER OG : rot -88:sc= 0.0371 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0.369 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -130:sc= -0.0539 USER MOD Single : A 45 SER OG : rot 26:sc= -0.122 USER MOD Single : A 47 SER OG : rot -58:sc= 0.563 USER MOD Single : A 48 SER OG : rot 29:sc= 0.417 USER MOD Single : A 51 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.52) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.675 K(o=-0.67,f=-0.12) USER MOD Single : A 65 TYR OH : rot -91:sc= -5.67! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 93 HIS : no HD1:sc= -3.26 K(o=-3.3,f=-1.3) USER MOD Single : A 94 SER OG : rot 63:sc= 0.322 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.263 -2.072 -9.808 1.00 0.00 N ATOM 171 CA LYS A 15 -8.991 -1.330 -10.831 1.00 0.00 C ATOM 172 C LYS A 15 -9.273 0.097 -10.372 1.00 0.00 C ATOM 173 O LYS A 15 -9.161 1.044 -11.151 1.00 0.00 O ATOM 174 CB LYS A 15 -10.305 -2.039 -11.166 1.00 0.00 C ATOM 175 CG LYS A 15 -10.117 -3.345 -11.917 1.00 0.00 C ATOM 176 CD LYS A 15 -9.989 -3.113 -13.414 1.00 0.00 C ATOM 177 CE LYS A 15 -9.315 -4.290 -14.103 1.00 0.00 C ATOM 178 NZ LYS A 15 -8.882 -3.948 -15.487 1.00 0.00 N ATOM 0 HA LYS A 15 -8.369 -1.288 -11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.848 -2.236 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.926 -1.372 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.225 -3.853 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.963 -4.004 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.978 -2.955 -13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.413 -2.205 -13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.450 -4.606 -13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.003 -5.135 -14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.427 -4.776 -15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.710 -3.671 -16.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.206 -3.159 -15.454 1.00 0.00 H new ATOM 192 N HIS A 16 -9.637 0.244 -9.102 1.00 0.00 N ATOM 193 CA HIS A 16 -9.932 1.556 -8.538 1.00 0.00 C ATOM 194 C HIS A 16 -8.696 2.449 -8.563 1.00 0.00 C ATOM 195 O HIS A 16 -7.570 1.964 -8.671 1.00 0.00 O ATOM 196 CB HIS A 16 -10.446 1.415 -7.105 1.00 0.00 C ATOM 197 CG HIS A 16 -11.558 0.423 -6.962 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.869 0.712 -7.278 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.551 -0.861 -6.534 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.619 -0.350 -7.050 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.843 -1.319 -6.598 1.00 0.00 N ATOM 0 H HIS A 16 -9.735 -0.529 -8.444 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.706 2.021 -9.149 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.620 1.118 -6.459 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.791 2.388 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.689 -1.421 -6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.686 -0.416 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.154 -2.255 -6.339 1.00 0.00 H new ATOM 210 N SER A 17 -8.912 3.757 -8.463 1.00 0.00 N ATOM 211 CA SER A 17 -7.817 4.718 -8.479 1.00 0.00 C ATOM 212 C SER A 17 -7.251 4.919 -7.078 1.00 0.00 C ATOM 213 O SER A 17 -6.036 4.998 -6.893 1.00 0.00 O ATOM 214 CB SER A 17 -8.294 6.058 -9.044 1.00 0.00 C ATOM 215 OG SER A 17 -7.226 6.763 -9.652 1.00 0.00 O ATOM 0 H SER A 17 -9.838 4.175 -8.370 1.00 0.00 H new ATOM 0 HA SER A 17 -7.028 4.322 -9.118 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.084 5.888 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.724 6.661 -8.244 1.00 0.00 H new ATOM 0 HG SER A 17 -6.774 7.314 -8.980 1.00 0.00 H new ATOM 221 N TRP A 18 -8.138 4.998 -6.092 1.00 0.00 N ATOM 222 CA TRP A 18 -7.726 5.190 -4.707 1.00 0.00 C ATOM 223 C TRP A 18 -7.004 3.956 -4.178 1.00 0.00 C ATOM 224 O TRP A 18 -6.077 4.063 -3.375 1.00 0.00 O ATOM 225 CB TRP A 18 -8.942 5.500 -3.831 1.00 0.00 C ATOM 226 CG TRP A 18 -10.181 4.772 -4.256 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.113 5.200 -5.157 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.624 3.491 -3.795 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.109 4.262 -5.285 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.832 3.204 -4.461 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.117 2.558 -2.887 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.538 2.024 -4.244 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.819 1.387 -2.673 1.00 0.00 C ATOM 234 CH2 TRP A 18 -12.019 1.128 -3.349 1.00 0.00 C ATOM 0 H TRP A 18 -9.147 4.932 -6.227 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.037 6.034 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.712 5.239 -2.798 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.134 6.573 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.073 6.138 -5.691 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.923 4.341 -5.895 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.193 2.749 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.463 1.823 -4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.436 0.659 -1.973 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.544 0.204 -3.160 1.00 0.00 H new ATOM 245 N TYR A 19 -7.435 2.783 -4.632 1.00 0.00 N ATOM 246 CA TYR A 19 -6.830 1.528 -4.203 1.00 0.00 C ATOM 247 C TYR A 19 -5.391 1.418 -4.699 1.00 0.00 C ATOM 248 O TYR A 19 -5.146 1.109 -5.866 1.00 0.00 O ATOM 249 CB TYR A 19 -7.648 0.342 -4.715 1.00 0.00 C ATOM 250 CG TYR A 19 -7.348 -0.956 -3.999 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.616 -1.104 -2.645 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.796 -2.034 -4.680 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.341 -2.287 -1.988 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.519 -3.222 -4.030 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.794 -3.343 -2.684 1.00 0.00 C ATOM 256 OH TYR A 19 -6.520 -4.525 -2.033 1.00 0.00 O ATOM 0 H TYR A 19 -8.201 2.676 -5.297 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.822 1.513 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.709 0.570 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.456 0.212 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.047 -0.280 -2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.580 -1.942 -5.734 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.554 -2.384 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.090 -4.051 -4.573 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.139 -5.167 -2.668 1.00 0.00 H new ATOM 266 N HIS A 20 -4.442 1.674 -3.804 1.00 0.00 N ATOM 267 CA HIS A 20 -3.027 1.603 -4.147 1.00 0.00 C ATOM 268 C HIS A 20 -2.387 0.349 -3.561 1.00 0.00 C ATOM 269 O HIS A 20 -1.254 0.384 -3.081 1.00 0.00 O ATOM 270 CB HIS A 20 -2.295 2.847 -3.644 1.00 0.00 C ATOM 271 CG HIS A 20 -2.263 3.968 -4.638 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.107 4.386 -5.263 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.255 4.755 -5.116 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.389 5.386 -6.081 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.686 5.628 -6.010 1.00 0.00 N ATOM 0 H HIS A 20 -4.628 1.933 -2.835 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.944 1.557 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.776 3.196 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.272 2.575 -3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.299 4.706 -4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.680 5.915 -6.701 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.184 6.347 -6.535 1.00 0.00 H new ATOM 284 N GLY A 21 -3.121 -0.759 -3.600 1.00 0.00 N ATOM 285 CA GLY A 21 -2.608 -2.008 -3.068 1.00 0.00 C ATOM 286 C GLY A 21 -1.788 -1.808 -1.809 1.00 0.00 C ATOM 287 O GLY A 21 -1.956 -0.830 -1.082 1.00 0.00 O ATOM 0 H GLY A 21 -4.062 -0.814 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.441 -2.677 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.994 -2.497 -3.824 1.00 0.00 H new ATOM 291 N PRO A 22 -0.878 -2.755 -1.535 1.00 0.00 N ATOM 292 CA PRO A 22 -0.011 -2.701 -0.354 1.00 0.00 C ATOM 293 C PRO A 22 1.027 -1.590 -0.447 1.00 0.00 C ATOM 294 O PRO A 22 1.932 -1.640 -1.282 1.00 0.00 O ATOM 295 CB PRO A 22 0.669 -4.072 -0.352 1.00 0.00 C ATOM 296 CG PRO A 22 0.643 -4.512 -1.775 1.00 0.00 C ATOM 297 CD PRO A 22 -0.624 -3.950 -2.358 1.00 0.00 C ATOM 0 HA PRO A 22 -0.573 -2.487 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.690 -4.006 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.138 -4.776 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.517 -4.145 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.657 -5.599 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.503 -3.695 -3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.446 -4.663 -2.295 1.00 0.00 H new ATOM 305 N VAL A 23 0.895 -0.588 0.415 1.00 0.00 N ATOM 306 CA VAL A 23 1.824 0.536 0.431 1.00 0.00 C ATOM 307 C VAL A 23 2.561 0.621 1.762 1.00 0.00 C ATOM 308 O VAL A 23 2.043 0.204 2.798 1.00 0.00 O ATOM 309 CB VAL A 23 1.097 1.869 0.173 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.089 3.022 0.145 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.307 1.803 -1.125 1.00 0.00 C ATOM 0 H VAL A 23 0.153 -0.531 1.113 1.00 0.00 H new ATOM 0 HA VAL A 23 2.544 0.363 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 23 0.396 2.044 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.557 3.955 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.605 3.081 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.816 2.857 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.200 2.753 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.986 1.604 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.432 1.004 -1.061 1.00 0.00 H new ATOM 321 N SER A 24 3.774 1.164 1.727 1.00 0.00 N ATOM 322 CA SER A 24 4.585 1.301 2.932 1.00 0.00 C ATOM 323 C SER A 24 4.153 2.519 3.742 1.00 0.00 C ATOM 324 O SER A 24 3.773 3.548 3.181 1.00 0.00 O ATOM 325 CB SER A 24 6.065 1.417 2.564 1.00 0.00 C ATOM 326 OG SER A 24 6.413 2.758 2.268 1.00 0.00 O ATOM 0 H SER A 24 4.217 1.516 0.878 1.00 0.00 H new ATOM 0 HA SER A 24 4.438 0.410 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.678 1.053 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.280 0.784 1.703 1.00 0.00 H new ATOM 0 HG SER A 24 7.364 2.806 2.037 1.00 0.00 H new ATOM 332 N ARG A 25 4.216 2.396 5.064 1.00 0.00 N ATOM 333 CA ARG A 25 3.829 3.485 5.952 1.00 0.00 C ATOM 334 C ARG A 25 4.253 4.834 5.374 1.00 0.00 C ATOM 335 O ARG A 25 3.421 5.708 5.138 1.00 0.00 O ATOM 336 CB ARG A 25 4.456 3.291 7.334 1.00 0.00 C ATOM 337 CG ARG A 25 3.681 2.333 8.224 1.00 0.00 C ATOM 338 CD ARG A 25 4.247 0.923 8.150 1.00 0.00 C ATOM 339 NE ARG A 25 5.453 0.775 8.961 1.00 0.00 N ATOM 340 CZ ARG A 25 6.265 -0.274 8.885 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.001 -1.261 8.040 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.343 -0.338 9.655 1.00 0.00 N ATOM 0 H ARG A 25 4.531 1.553 5.543 1.00 0.00 H new ATOM 0 HA ARG A 25 2.743 3.475 6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.474 2.919 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.527 4.259 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.713 2.686 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.633 2.322 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.493 0.211 8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.475 0.678 7.113 1.00 0.00 H new ATOM 0 HE ARG A 25 5.684 1.517 9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.173 -1.216 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.626 -2.065 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.550 0.419 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.965 -1.144 9.595 1.00 0.00 H new ATOM 356 N SER A 26 5.554 4.992 5.151 1.00 0.00 N ATOM 357 CA SER A 26 6.089 6.235 4.606 1.00 0.00 C ATOM 358 C SER A 26 5.436 6.567 3.268 1.00 0.00 C ATOM 359 O SER A 26 4.840 7.631 3.102 1.00 0.00 O ATOM 360 CB SER A 26 7.606 6.130 4.434 1.00 0.00 C ATOM 361 OG SER A 26 8.282 6.529 5.613 1.00 0.00 O ATOM 0 H SER A 26 6.256 4.276 5.339 1.00 0.00 H new ATOM 0 HA SER A 26 5.865 7.037 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.877 5.104 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.925 6.755 3.599 1.00 0.00 H new ATOM 0 HG SER A 26 9.249 6.451 5.478 1.00 0.00 H new ATOM 367 N ALA A 27 5.551 5.646 2.316 1.00 0.00 N ATOM 368 CA ALA A 27 4.971 5.840 0.992 1.00 0.00 C ATOM 369 C ALA A 27 3.629 6.558 1.081 1.00 0.00 C ATOM 370 O ALA A 27 3.326 7.432 0.270 1.00 0.00 O ATOM 371 CB ALA A 27 4.810 4.501 0.286 1.00 0.00 C ATOM 0 H ALA A 27 6.040 4.759 2.437 1.00 0.00 H new ATOM 0 HA ALA A 27 5.650 6.465 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.376 4.660 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.785 4.025 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.153 3.858 0.872 1.00 0.00 H new ATOM 377 N ALA A 28 2.826 6.182 2.073 1.00 0.00 N ATOM 378 CA ALA A 28 1.517 6.791 2.268 1.00 0.00 C ATOM 379 C ALA A 28 1.642 8.284 2.548 1.00 0.00 C ATOM 380 O ALA A 28 1.110 9.111 1.808 1.00 0.00 O ATOM 381 CB ALA A 28 0.776 6.098 3.402 1.00 0.00 C ATOM 0 H ALA A 28 3.060 5.459 2.753 1.00 0.00 H new ATOM 0 HA ALA A 28 0.946 6.668 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.200 6.563 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.645 5.043 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.352 6.190 4.323 1.00 0.00 H new ATOM 387 N GLU A 29 2.347 8.623 3.625 1.00 0.00 N ATOM 388 CA GLU A 29 2.539 10.017 4.003 1.00 0.00 C ATOM 389 C GLU A 29 3.183 10.806 2.867 1.00 0.00 C ATOM 390 O GLU A 29 2.696 11.870 2.481 1.00 0.00 O ATOM 391 CB GLU A 29 3.408 10.111 5.259 1.00 0.00 C ATOM 392 CG GLU A 29 2.685 9.700 6.531 1.00 0.00 C ATOM 393 CD GLU A 29 3.638 9.258 7.626 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.441 8.336 7.375 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.578 9.832 8.732 1.00 0.00 O ATOM 0 H GLU A 29 2.793 7.951 4.249 1.00 0.00 H new ATOM 0 HA GLU A 29 1.560 10.448 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.287 9.480 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.764 11.135 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.086 10.537 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.994 8.888 6.306 1.00 0.00 H new ATOM 403 N TYR A 30 4.279 10.277 2.334 1.00 0.00 N ATOM 404 CA TYR A 30 4.992 10.933 1.244 1.00 0.00 C ATOM 405 C TYR A 30 4.048 11.241 0.085 1.00 0.00 C ATOM 406 O TYR A 30 3.768 12.403 -0.211 1.00 0.00 O ATOM 407 CB TYR A 30 6.144 10.052 0.756 1.00 0.00 C ATOM 408 CG TYR A 30 6.791 10.549 -0.515 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.783 11.523 -0.479 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.412 10.045 -1.754 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.375 11.982 -1.640 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.002 10.496 -2.919 1.00 0.00 C ATOM 413 CZ TYR A 30 7.982 11.465 -2.857 1.00 0.00 C ATOM 414 OH TYR A 30 8.572 11.918 -4.014 1.00 0.00 O ATOM 0 H TYR A 30 4.693 9.396 2.639 1.00 0.00 H new ATOM 0 HA TYR A 30 5.396 11.872 1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.900 9.991 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.772 9.040 0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.096 11.927 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.643 9.288 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.141 12.742 -1.595 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.698 10.092 -3.873 1.00 0.00 H new ATOM 0 HH TYR A 30 8.183 11.452 -4.784 1.00 0.00 H new ATOM 424 N LEU A 31 3.561 10.192 -0.568 1.00 0.00 N ATOM 425 CA LEU A 31 2.649 10.349 -1.697 1.00 0.00 C ATOM 426 C LEU A 31 1.550 11.357 -1.371 1.00 0.00 C ATOM 427 O LEU A 31 1.068 12.071 -2.250 1.00 0.00 O ATOM 428 CB LEU A 31 2.026 9.001 -2.065 1.00 0.00 C ATOM 429 CG LEU A 31 1.550 8.855 -3.510 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.724 8.577 -4.435 1.00 0.00 C ATOM 431 CD2 LEU A 31 0.509 7.751 -3.620 1.00 0.00 C ATOM 0 H LEU A 31 3.782 9.224 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 31 3.221 10.723 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.757 8.218 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.178 8.823 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 31 1.089 9.794 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.364 8.476 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.434 9.402 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.216 7.653 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.182 7.661 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.945 6.806 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.346 7.993 -2.989 1.00 0.00 H new ATOM 443 N LEU A 32 1.162 11.410 -0.102 1.00 0.00 N ATOM 444 CA LEU A 32 0.120 12.333 0.340 1.00 0.00 C ATOM 445 C LEU A 32 0.651 13.762 0.402 1.00 0.00 C ATOM 446 O LEU A 32 -0.036 14.706 0.012 1.00 0.00 O ATOM 447 CB LEU A 32 -0.409 11.914 1.713 1.00 0.00 C ATOM 448 CG LEU A 32 -1.475 10.819 1.716 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.708 10.303 3.126 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.774 11.337 1.113 1.00 0.00 C ATOM 0 H LEU A 32 1.551 10.827 0.639 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.695 12.298 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.433 11.575 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.820 12.795 2.206 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.118 9.991 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.470 9.524 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.779 9.892 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.042 11.122 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.522 10.544 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.135 12.183 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.597 11.655 0.086 1.00 0.00 H new ATOM 462 N SER A 33 1.878 13.913 0.891 1.00 0.00 N ATOM 463 CA SER A 33 2.499 15.227 1.004 1.00 0.00 C ATOM 464 C SER A 33 2.335 16.019 -0.290 1.00 0.00 C ATOM 465 O SER A 33 1.771 17.114 -0.292 1.00 0.00 O ATOM 466 CB SER A 33 3.985 15.085 1.342 1.00 0.00 C ATOM 467 OG SER A 33 4.588 16.352 1.533 1.00 0.00 O ATOM 0 H SER A 33 2.461 13.142 1.215 1.00 0.00 H new ATOM 0 HA SER A 33 2.000 15.769 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.100 14.484 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.495 14.554 0.538 1.00 0.00 H new ATOM 0 HG SER A 33 5.536 16.234 1.749 1.00 0.00 H new ATOM 473 N SER A 34 2.831 15.457 -1.387 1.00 0.00 N ATOM 474 CA SER A 34 2.742 16.113 -2.687 1.00 0.00 C ATOM 475 C SER A 34 1.296 16.464 -3.021 1.00 0.00 C ATOM 476 O SER A 34 0.985 17.606 -3.363 1.00 0.00 O ATOM 477 CB SER A 34 3.323 15.210 -3.777 1.00 0.00 C ATOM 478 OG SER A 34 3.352 15.874 -5.028 1.00 0.00 O ATOM 0 H SER A 34 3.298 14.550 -1.402 1.00 0.00 H new ATOM 0 HA SER A 34 3.320 17.036 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.332 14.904 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.726 14.302 -3.858 1.00 0.00 H new ATOM 0 HG SER A 34 3.729 15.276 -5.707 1.00 0.00 H new ATOM 484 N LEU A 35 0.414 15.475 -2.920 1.00 0.00 N ATOM 485 CA LEU A 35 -1.000 15.679 -3.211 1.00 0.00 C ATOM 486 C LEU A 35 -1.526 16.929 -2.512 1.00 0.00 C ATOM 487 O LEU A 35 -0.982 17.358 -1.493 1.00 0.00 O ATOM 488 CB LEU A 35 -1.812 14.458 -2.774 1.00 0.00 C ATOM 489 CG LEU A 35 -1.611 13.187 -3.601 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.171 11.979 -2.869 1.00 0.00 C ATOM 491 CD2 LEU A 35 -2.261 13.333 -4.970 1.00 0.00 C ATOM 0 H LEU A 35 0.654 14.524 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.108 15.814 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.565 14.235 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.869 14.721 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.541 13.035 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.019 11.085 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.659 11.863 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.237 12.122 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.108 12.420 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.330 13.511 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.811 14.174 -5.498 1.00 0.00 H new ATOM 503 N ILE A 36 -2.587 17.507 -3.065 1.00 0.00 N ATOM 504 CA ILE A 36 -3.188 18.705 -2.492 1.00 0.00 C ATOM 505 C ILE A 36 -3.702 18.443 -1.081 1.00 0.00 C ATOM 506 O ILE A 36 -3.561 17.340 -0.553 1.00 0.00 O ATOM 507 CB ILE A 36 -4.349 19.223 -3.362 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.529 18.250 -3.308 1.00 0.00 C ATOM 509 CG2 ILE A 36 -3.888 19.427 -4.797 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.817 18.829 -3.847 1.00 0.00 C ATOM 0 H ILE A 36 -3.048 17.165 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.406 19.463 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.677 20.185 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.277 17.355 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.685 17.938 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.720 19.793 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.077 20.155 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.536 18.479 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.609 18.083 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.093 19.707 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.679 19.115 -4.890 1.00 0.00 H new ATOM 522 N ASN A 37 -4.300 19.464 -0.475 1.00 0.00 N ATOM 523 CA ASN A 37 -4.837 19.342 0.876 1.00 0.00 C ATOM 524 C ASN A 37 -6.265 18.807 0.847 1.00 0.00 C ATOM 525 O ASN A 37 -7.157 19.352 1.498 1.00 0.00 O ATOM 526 CB ASN A 37 -4.802 20.698 1.584 1.00 0.00 C ATOM 527 CG ASN A 37 -3.462 21.393 1.436 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.440 20.904 1.916 1.00 0.00 O ATOM 529 ND2 ASN A 37 -3.463 22.543 0.770 1.00 0.00 N ATOM 0 H ASN A 37 -4.425 20.384 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.215 18.636 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.586 21.337 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.021 20.558 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.592 23.058 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.335 22.911 0.389 1.00 0.00 H new ATOM 536 N GLY A 38 -6.475 17.736 0.088 1.00 0.00 N ATOM 537 CA GLY A 38 -7.797 17.145 -0.010 1.00 0.00 C ATOM 538 C GLY A 38 -7.791 15.839 -0.782 1.00 0.00 C ATOM 539 O GLY A 38 -8.772 15.497 -1.443 1.00 0.00 O ATOM 0 H GLY A 38 -5.754 17.267 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.189 16.970 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.471 17.849 -0.497 1.00 0.00 H new ATOM 543 N SER A 39 -6.684 15.108 -0.699 1.00 0.00 N ATOM 544 CA SER A 39 -6.553 13.836 -1.398 1.00 0.00 C ATOM 545 C SER A 39 -6.489 12.676 -0.409 1.00 0.00 C ATOM 546 O SER A 39 -5.921 12.801 0.675 1.00 0.00 O ATOM 547 CB SER A 39 -5.303 13.841 -2.279 1.00 0.00 C ATOM 548 OG SER A 39 -5.331 14.918 -3.198 1.00 0.00 O ATOM 0 H SER A 39 -5.864 15.376 -0.154 1.00 0.00 H new ATOM 0 HA SER A 39 -7.432 13.704 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.414 13.916 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.233 12.898 -2.821 1.00 0.00 H new ATOM 0 HG SER A 39 -5.142 14.584 -4.100 1.00 0.00 H new ATOM 554 N PHE A 40 -7.075 11.546 -0.794 1.00 0.00 N ATOM 555 CA PHE A 40 -7.087 10.363 0.058 1.00 0.00 C ATOM 556 C PHE A 40 -6.663 9.124 -0.725 1.00 0.00 C ATOM 557 O PHE A 40 -6.815 9.066 -1.946 1.00 0.00 O ATOM 558 CB PHE A 40 -8.478 10.151 0.655 1.00 0.00 C ATOM 559 CG PHE A 40 -9.433 9.462 -0.277 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.170 10.192 -1.198 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.593 8.087 -0.236 1.00 0.00 C ATOM 562 CE1 PHE A 40 -11.049 9.561 -2.058 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.471 7.452 -1.093 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.199 8.188 -2.007 1.00 0.00 C ATOM 0 H PHE A 40 -7.547 11.425 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.373 10.522 0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.387 9.563 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.894 11.118 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.056 11.265 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.025 7.504 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.618 10.141 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.588 6.379 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.883 7.692 -2.680 1.00 0.00 H new ATOM 574 N LEU A 41 -6.131 8.135 -0.015 1.00 0.00 N ATOM 575 CA LEU A 41 -5.684 6.897 -0.644 1.00 0.00 C ATOM 576 C LEU A 41 -5.891 5.708 0.288 1.00 0.00 C ATOM 577 O LEU A 41 -5.880 5.854 1.510 1.00 0.00 O ATOM 578 CB LEU A 41 -4.209 7.003 -1.033 1.00 0.00 C ATOM 579 CG LEU A 41 -3.199 6.698 0.074 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.881 5.211 0.112 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.929 7.513 -0.125 1.00 0.00 C ATOM 0 H LEU A 41 -5.999 8.166 0.996 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.280 6.739 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.023 6.323 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.022 8.012 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.641 6.978 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.161 5.013 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.795 4.648 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.459 4.905 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.221 7.284 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.484 7.264 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.171 8.576 -0.101 1.00 0.00 H new ATOM 593 N VAL A 42 -6.080 4.529 -0.297 1.00 0.00 N ATOM 594 CA VAL A 42 -6.287 3.314 0.481 1.00 0.00 C ATOM 595 C VAL A 42 -5.139 2.330 0.279 1.00 0.00 C ATOM 596 O VAL A 42 -4.807 1.974 -0.852 1.00 0.00 O ATOM 597 CB VAL A 42 -7.612 2.625 0.105 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.953 1.536 1.112 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.735 3.646 0.012 1.00 0.00 C ATOM 0 H VAL A 42 -6.094 4.390 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.326 3.612 1.529 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.494 2.158 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.892 1.061 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.158 0.790 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.053 1.976 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.664 3.142 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.855 4.143 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.492 4.386 -0.751 1.00 0.00 H new ATOM 609 N ARG A 43 -4.540 1.895 1.382 1.00 0.00 N ATOM 610 CA ARG A 43 -3.428 0.952 1.325 1.00 0.00 C ATOM 611 C ARG A 43 -3.676 -0.235 2.252 1.00 0.00 C ATOM 612 O ARG A 43 -4.731 -0.339 2.875 1.00 0.00 O ATOM 613 CB ARG A 43 -2.122 1.648 1.709 1.00 0.00 C ATOM 614 CG ARG A 43 -2.094 2.145 3.144 1.00 0.00 C ATOM 615 CD ARG A 43 -0.801 2.881 3.455 1.00 0.00 C ATOM 616 NE ARG A 43 -0.900 3.670 4.681 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.956 3.134 5.896 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.923 1.817 6.045 1.00 0.00 N ATOM 619 NH2 ARG A 43 -1.045 3.918 6.962 1.00 0.00 N ATOM 0 H ARG A 43 -4.805 2.179 2.325 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.348 0.583 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.294 0.956 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.959 2.492 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.942 2.808 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.206 1.301 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.011 2.161 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.548 3.537 2.622 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.928 4.686 4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.854 1.213 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.966 1.408 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.070 4.931 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.088 3.508 7.895 1.00 0.00 H new ATOM 633 N GLU A 44 -2.695 -1.129 2.335 1.00 0.00 N ATOM 634 CA GLU A 44 -2.806 -2.308 3.185 1.00 0.00 C ATOM 635 C GLU A 44 -1.773 -2.272 4.307 1.00 0.00 C ATOM 636 O GLU A 44 -0.574 -2.153 4.056 1.00 0.00 O ATOM 637 CB GLU A 44 -2.629 -3.580 2.353 1.00 0.00 C ATOM 638 CG GLU A 44 -2.794 -4.860 3.155 1.00 0.00 C ATOM 639 CD GLU A 44 -2.056 -6.034 2.540 1.00 0.00 C ATOM 640 OE1 GLU A 44 -2.490 -7.185 2.755 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.045 -5.801 1.845 1.00 0.00 O ATOM 0 H GLU A 44 -1.815 -1.059 1.824 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.800 -2.309 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.354 -3.575 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.639 -3.571 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.430 -4.698 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.854 -5.102 3.232 1.00 0.00 H new ATOM 649 N SER A 45 -2.248 -2.375 5.544 1.00 0.00 N ATOM 650 CA SER A 45 -1.367 -2.350 6.705 1.00 0.00 C ATOM 651 C SER A 45 -0.462 -3.578 6.727 1.00 0.00 C ATOM 652 O SER A 45 -0.936 -4.712 6.675 1.00 0.00 O ATOM 653 CB SER A 45 -2.188 -2.284 7.994 1.00 0.00 C ATOM 654 OG SER A 45 -3.090 -3.374 8.080 1.00 0.00 O ATOM 0 H SER A 45 -3.238 -2.477 5.768 1.00 0.00 H new ATOM 0 HA SER A 45 -0.741 -1.460 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.520 -2.292 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.742 -1.346 8.029 1.00 0.00 H new ATOM 0 HG SER A 45 -2.743 -4.128 7.559 1.00 0.00 H new ATOM 660 N GLU A 46 0.845 -3.343 6.806 1.00 0.00 N ATOM 661 CA GLU A 46 1.816 -4.430 6.834 1.00 0.00 C ATOM 662 C GLU A 46 1.931 -5.019 8.236 1.00 0.00 C ATOM 663 O GLU A 46 1.465 -4.428 9.211 1.00 0.00 O ATOM 664 CB GLU A 46 3.184 -3.932 6.364 1.00 0.00 C ATOM 665 CG GLU A 46 4.025 -5.006 5.693 1.00 0.00 C ATOM 666 CD GLU A 46 5.342 -4.472 5.165 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.362 -3.323 4.673 1.00 0.00 O ATOM 668 OE2 GLU A 46 6.353 -5.200 5.244 1.00 0.00 O ATOM 0 H GLU A 46 1.255 -2.410 6.852 1.00 0.00 H new ATOM 0 HA GLU A 46 1.470 -5.211 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.041 -3.106 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.731 -3.536 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.222 -5.806 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.459 -5.444 4.871 1.00 0.00 H new ATOM 676 N SER A 47 2.556 -6.189 8.331 1.00 0.00 N ATOM 677 CA SER A 47 2.729 -6.862 9.612 1.00 0.00 C ATOM 678 C SER A 47 1.379 -7.130 10.272 1.00 0.00 C ATOM 679 O SER A 47 1.216 -6.942 11.477 1.00 0.00 O ATOM 680 CB SER A 47 3.604 -6.019 10.541 1.00 0.00 C ATOM 681 OG SER A 47 3.898 -6.716 11.739 1.00 0.00 O ATOM 0 H SER A 47 2.951 -6.690 7.535 1.00 0.00 H new ATOM 0 HA SER A 47 3.221 -7.817 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.532 -5.757 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.094 -5.085 10.776 1.00 0.00 H new ATOM 0 HG SER A 47 3.062 -6.960 12.189 1.00 0.00 H new ATOM 687 N SER A 48 0.414 -7.573 9.471 1.00 0.00 N ATOM 688 CA SER A 48 -0.922 -7.865 9.975 1.00 0.00 C ATOM 689 C SER A 48 -1.621 -8.899 9.097 1.00 0.00 C ATOM 690 O SER A 48 -1.295 -9.074 7.922 1.00 0.00 O ATOM 691 CB SER A 48 -1.758 -6.584 10.036 1.00 0.00 C ATOM 692 OG SER A 48 -1.543 -5.893 11.254 1.00 0.00 O ATOM 0 H SER A 48 0.533 -7.737 8.471 1.00 0.00 H new ATOM 0 HA SER A 48 -0.822 -8.275 10.980 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.500 -5.938 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.815 -6.831 9.936 1.00 0.00 H new ATOM 0 HG SER A 48 -0.637 -6.077 11.579 1.00 0.00 H new ATOM 698 N PRO A 49 -2.603 -9.602 9.679 1.00 0.00 N ATOM 699 CA PRO A 49 -3.368 -10.632 8.968 1.00 0.00 C ATOM 700 C PRO A 49 -4.289 -10.040 7.907 1.00 0.00 C ATOM 701 O PRO A 49 -5.480 -9.843 8.143 1.00 0.00 O ATOM 702 CB PRO A 49 -4.189 -11.293 10.078 1.00 0.00 C ATOM 703 CG PRO A 49 -4.315 -10.245 11.131 1.00 0.00 C ATOM 704 CD PRO A 49 -3.042 -9.447 11.077 1.00 0.00 C ATOM 0 HA PRO A 49 -2.719 -11.323 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.167 -11.608 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.691 -12.183 10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.182 -9.610 10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.452 -10.695 12.114 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.212 -8.401 11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.298 -9.828 11.777 1.00 0.00 H new ATOM 712 N GLY A 50 -3.726 -9.757 6.735 1.00 0.00 N ATOM 713 CA GLY A 50 -4.512 -9.190 5.653 1.00 0.00 C ATOM 714 C GLY A 50 -5.395 -8.049 6.115 1.00 0.00 C ATOM 715 O GLY A 50 -6.596 -8.038 5.849 1.00 0.00 O ATOM 0 H GLY A 50 -2.742 -9.910 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.843 -8.833 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.132 -9.970 5.211 1.00 0.00 H new ATOM 719 N GLN A 51 -4.798 -7.086 6.811 1.00 0.00 N ATOM 720 CA GLN A 51 -5.540 -5.935 7.311 1.00 0.00 C ATOM 721 C GLN A 51 -5.401 -4.745 6.368 1.00 0.00 C ATOM 722 O GLN A 51 -4.440 -4.655 5.601 1.00 0.00 O ATOM 723 CB GLN A 51 -5.047 -5.552 8.708 1.00 0.00 C ATOM 724 CG GLN A 51 -5.495 -6.516 9.795 1.00 0.00 C ATOM 725 CD GLN A 51 -6.997 -6.504 10.005 1.00 0.00 C ATOM 726 OE1 GLN A 51 -7.736 -7.219 9.328 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.457 -5.687 10.947 1.00 0.00 N ATOM 0 H GLN A 51 -3.804 -7.080 7.041 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.593 -6.211 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.958 -5.506 8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.406 -4.552 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.177 -7.525 9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.999 -6.258 10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.808 -5.112 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.459 -5.635 11.132 1.00 0.00 H new ATOM 736 N LEU A 52 -6.366 -3.834 6.426 1.00 0.00 N ATOM 737 CA LEU A 52 -6.353 -2.648 5.577 1.00 0.00 C ATOM 738 C LEU A 52 -6.590 -1.385 6.399 1.00 0.00 C ATOM 739 O LEU A 52 -7.041 -1.453 7.544 1.00 0.00 O ATOM 740 CB LEU A 52 -7.418 -2.767 4.486 1.00 0.00 C ATOM 741 CG LEU A 52 -7.442 -4.085 3.713 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.848 -4.391 3.220 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.465 -4.038 2.546 1.00 0.00 C ATOM 0 H LEU A 52 -7.168 -3.894 7.053 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.370 -2.576 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.396 -2.619 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.273 -1.954 3.774 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.134 -4.884 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.844 -5.333 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.523 -4.469 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.185 -3.590 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.496 -4.985 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.742 -3.228 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.456 -3.867 2.923 1.00 0.00 H new ATOM 755 N SER A 53 -6.285 -0.234 5.808 1.00 0.00 N ATOM 756 CA SER A 53 -6.463 1.043 6.488 1.00 0.00 C ATOM 757 C SER A 53 -6.559 2.185 5.480 1.00 0.00 C ATOM 758 O SER A 53 -5.887 2.175 4.447 1.00 0.00 O ATOM 759 CB SER A 53 -5.304 1.299 7.454 1.00 0.00 C ATOM 760 OG SER A 53 -5.389 2.594 8.021 1.00 0.00 O ATOM 0 H SER A 53 -5.914 -0.160 4.861 1.00 0.00 H new ATOM 0 HA SER A 53 -7.394 0.998 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.315 0.550 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.356 1.191 6.926 1.00 0.00 H new ATOM 0 HG SER A 53 -4.638 2.732 8.636 1.00 0.00 H new ATOM 766 N ILE A 54 -7.399 3.167 5.786 1.00 0.00 N ATOM 767 CA ILE A 54 -7.583 4.316 4.908 1.00 0.00 C ATOM 768 C ILE A 54 -6.787 5.519 5.402 1.00 0.00 C ATOM 769 O ILE A 54 -6.865 5.890 6.574 1.00 0.00 O ATOM 770 CB ILE A 54 -9.068 4.709 4.799 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.831 3.678 3.963 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.206 6.098 4.194 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.283 3.535 4.358 1.00 0.00 C ATOM 0 H ILE A 54 -7.963 3.190 6.635 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.219 4.021 3.924 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.498 4.727 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.775 3.961 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.340 2.710 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.261 6.361 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.693 6.823 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.763 6.107 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.761 2.788 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.347 3.221 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.789 4.492 4.235 1.00 0.00 H new ATOM 785 N SER A 55 -6.021 6.125 4.501 1.00 0.00 N ATOM 786 CA SER A 55 -5.207 7.285 4.846 1.00 0.00 C ATOM 787 C SER A 55 -5.586 8.489 3.987 1.00 0.00 C ATOM 788 O SER A 55 -5.315 8.520 2.787 1.00 0.00 O ATOM 789 CB SER A 55 -3.722 6.965 4.666 1.00 0.00 C ATOM 790 OG SER A 55 -3.278 6.040 5.644 1.00 0.00 O ATOM 0 H SER A 55 -5.947 5.832 3.527 1.00 0.00 H new ATOM 0 HA SER A 55 -5.394 7.531 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.553 6.555 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.138 7.882 4.737 1.00 0.00 H new ATOM 0 HG SER A 55 -2.326 5.850 5.507 1.00 0.00 H new ATOM 796 N LEU A 56 -6.215 9.478 4.613 1.00 0.00 N ATOM 797 CA LEU A 56 -6.633 10.685 3.908 1.00 0.00 C ATOM 798 C LEU A 56 -5.952 11.918 4.490 1.00 0.00 C ATOM 799 O LEU A 56 -5.695 11.988 5.693 1.00 0.00 O ATOM 800 CB LEU A 56 -8.153 10.844 3.984 1.00 0.00 C ATOM 801 CG LEU A 56 -8.685 11.646 5.171 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.367 13.124 5.002 1.00 0.00 C ATOM 803 CD2 LEU A 56 -10.184 11.436 5.329 1.00 0.00 C ATOM 0 H LEU A 56 -6.447 9.468 5.606 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.336 10.587 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.495 11.322 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.601 9.851 4.012 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.192 11.290 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.753 13.679 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.287 13.259 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.832 13.494 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.545 12.015 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.695 11.764 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.387 10.379 5.498 1.00 0.00 H new ATOM 815 N ARG A 57 -5.663 12.889 3.631 1.00 0.00 N ATOM 816 CA ARG A 57 -5.012 14.122 4.060 1.00 0.00 C ATOM 817 C ARG A 57 -6.044 15.161 4.488 1.00 0.00 C ATOM 818 O ARG A 57 -6.920 15.538 3.708 1.00 0.00 O ATOM 819 CB ARG A 57 -4.143 14.684 2.934 1.00 0.00 C ATOM 820 CG ARG A 57 -2.708 14.184 2.964 1.00 0.00 C ATOM 821 CD ARG A 57 -1.817 15.093 3.796 1.00 0.00 C ATOM 822 NE ARG A 57 -1.465 16.317 3.081 1.00 0.00 N ATOM 823 CZ ARG A 57 -0.535 17.169 3.497 1.00 0.00 C ATOM 824 NH1 ARG A 57 0.132 16.932 4.618 1.00 0.00 N ATOM 825 NH2 ARG A 57 -0.270 18.261 2.791 1.00 0.00 N ATOM 0 H ARG A 57 -5.869 12.847 2.633 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.379 13.890 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.590 14.421 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.141 15.772 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.682 13.174 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.321 14.126 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.327 15.349 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.907 14.558 4.069 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.960 16.529 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.069 16.094 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.846 17.588 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.781 18.447 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.444 18.915 3.112 1.00 0.00 H new ATOM 839 N TYR A 58 -5.934 15.621 5.729 1.00 0.00 N ATOM 840 CA TYR A 58 -6.860 16.614 6.260 1.00 0.00 C ATOM 841 C TYR A 58 -6.106 17.737 6.968 1.00 0.00 C ATOM 842 O TYR A 58 -5.198 17.486 7.759 1.00 0.00 O ATOM 843 CB TYR A 58 -7.844 15.957 7.229 1.00 0.00 C ATOM 844 CG TYR A 58 -8.817 16.931 7.856 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.595 17.770 7.068 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.959 17.012 9.236 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.485 18.662 7.636 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.847 17.899 9.811 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.609 18.721 9.008 1.00 0.00 C ATOM 850 OH TYR A 58 -11.493 19.607 9.578 1.00 0.00 O ATOM 0 H TYR A 58 -5.213 15.322 6.386 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.414 17.042 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.404 15.187 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.284 15.456 8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.503 17.724 5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.365 16.370 9.869 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.080 19.309 7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.944 17.949 10.885 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.459 19.521 10.554 1.00 0.00 H new ATOM 860 N GLU A 59 -6.491 18.975 6.676 1.00 0.00 N ATOM 861 CA GLU A 59 -5.852 20.136 7.283 1.00 0.00 C ATOM 862 C GLU A 59 -4.356 19.901 7.465 1.00 0.00 C ATOM 863 O GLU A 59 -3.770 20.302 8.470 1.00 0.00 O ATOM 864 CB GLU A 59 -6.498 20.454 8.633 1.00 0.00 C ATOM 865 CG GLU A 59 -6.336 19.346 9.660 1.00 0.00 C ATOM 866 CD GLU A 59 -6.673 19.801 11.068 1.00 0.00 C ATOM 867 OE1 GLU A 59 -5.783 19.734 11.942 1.00 0.00 O ATOM 868 OE2 GLU A 59 -7.825 20.225 11.295 1.00 0.00 O ATOM 0 H GLU A 59 -7.242 19.200 6.023 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.989 20.985 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.062 21.371 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.560 20.646 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.979 18.508 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.309 18.981 9.636 1.00 0.00 H new ATOM 876 N GLY A 60 -3.742 19.246 6.484 1.00 0.00 N ATOM 877 CA GLY A 60 -2.319 18.967 6.554 1.00 0.00 C ATOM 878 C GLY A 60 -1.985 17.918 7.596 1.00 0.00 C ATOM 879 O GLY A 60 -1.092 18.113 8.420 1.00 0.00 O ATOM 0 H GLY A 60 -4.205 18.904 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.969 18.630 5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.782 19.887 6.784 1.00 0.00 H new ATOM 883 N ARG A 61 -2.705 16.800 7.559 1.00 0.00 N ATOM 884 CA ARG A 61 -2.482 15.717 8.509 1.00 0.00 C ATOM 885 C ARG A 61 -2.750 14.361 7.861 1.00 0.00 C ATOM 886 O ARG A 61 -3.493 14.265 6.884 1.00 0.00 O ATOM 887 CB ARG A 61 -3.379 15.893 9.736 1.00 0.00 C ATOM 888 CG ARG A 61 -2.739 16.711 10.845 1.00 0.00 C ATOM 889 CD ARG A 61 -1.971 15.829 11.817 1.00 0.00 C ATOM 890 NE ARG A 61 -1.303 16.610 12.856 1.00 0.00 N ATOM 891 CZ ARG A 61 -0.368 16.116 13.658 1.00 0.00 C ATOM 892 NH1 ARG A 61 0.010 14.850 13.542 1.00 0.00 N ATOM 893 NH2 ARG A 61 0.194 16.889 14.580 1.00 0.00 N ATOM 0 H ARG A 61 -3.447 16.622 6.882 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.438 15.752 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.308 16.375 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.643 14.910 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.064 17.449 10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.510 17.262 11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.656 15.119 12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.230 15.246 11.270 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.570 17.588 12.971 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.418 14.253 12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.729 14.474 14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.093 17.863 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.912 16.508 15.196 1.00 0.00 H new ATOM 907 N VAL A 62 -2.139 13.318 8.410 1.00 0.00 N ATOM 908 CA VAL A 62 -2.312 11.968 7.886 1.00 0.00 C ATOM 909 C VAL A 62 -3.164 11.119 8.823 1.00 0.00 C ATOM 910 O VAL A 62 -2.652 10.495 9.752 1.00 0.00 O ATOM 911 CB VAL A 62 -0.955 11.270 7.674 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.153 9.888 7.071 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.052 12.120 6.792 1.00 0.00 C ATOM 0 H VAL A 62 -1.519 13.381 9.218 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.818 12.065 6.925 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.472 11.151 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.183 9.411 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.761 9.282 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.657 9.980 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.902 11.612 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.528 12.271 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.117 13.086 7.268 1.00 0.00 H new ATOM 923 N TYR A 63 -4.469 11.101 8.572 1.00 0.00 N ATOM 924 CA TYR A 63 -5.394 10.332 9.394 1.00 0.00 C ATOM 925 C TYR A 63 -5.497 8.892 8.898 1.00 0.00 C ATOM 926 O TYR A 63 -5.799 8.646 7.730 1.00 0.00 O ATOM 927 CB TYR A 63 -6.778 10.984 9.389 1.00 0.00 C ATOM 928 CG TYR A 63 -6.831 12.298 10.136 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.417 13.479 9.532 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.297 12.358 11.444 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.463 14.681 10.211 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.347 13.555 12.129 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.929 14.714 11.509 1.00 0.00 C ATOM 934 OH TYR A 63 -6.978 15.911 12.189 1.00 0.00 O ATOM 0 H TYR A 63 -4.909 11.610 7.806 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.009 10.320 10.414 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.089 11.149 8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.497 10.295 9.832 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.053 13.457 8.515 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.626 11.453 11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.136 15.590 9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.712 13.584 13.145 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.332 15.761 13.091 1.00 0.00 H new ATOM 944 N HIS A 64 -5.242 7.945 9.794 1.00 0.00 N ATOM 945 CA HIS A 64 -5.306 6.529 9.449 1.00 0.00 C ATOM 946 C HIS A 64 -6.538 5.874 10.066 1.00 0.00 C ATOM 947 O HIS A 64 -6.730 5.911 11.283 1.00 0.00 O ATOM 948 CB HIS A 64 -4.041 5.810 9.921 1.00 0.00 C ATOM 949 CG HIS A 64 -3.471 6.370 11.188 1.00 0.00 C ATOM 950 ND1 HIS A 64 -2.177 6.836 11.289 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.027 6.540 12.411 1.00 0.00 C ATOM 952 CE1 HIS A 64 -1.962 7.265 12.520 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.069 7.098 13.220 1.00 0.00 N ATOM 0 H HIS A 64 -4.989 8.132 10.764 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.378 6.448 8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.267 4.754 10.070 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.286 5.867 9.136 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.037 6.284 12.697 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.037 7.682 12.891 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.192 7.344 14.202 1.00 0.00 H new ATOM 962 N TYR A 65 -7.370 5.276 9.221 1.00 0.00 N ATOM 963 CA TYR A 65 -8.585 4.617 9.684 1.00 0.00 C ATOM 964 C TYR A 65 -8.524 3.116 9.418 1.00 0.00 C ATOM 965 O TYR A 65 -8.769 2.662 8.300 1.00 0.00 O ATOM 966 CB TYR A 65 -9.812 5.220 8.995 1.00 0.00 C ATOM 967 CG TYR A 65 -9.707 6.711 8.769 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.869 7.605 9.821 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.450 7.225 7.504 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.774 8.969 9.619 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.353 8.588 7.295 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.517 9.455 8.354 1.00 0.00 C ATOM 973 OH TYR A 65 -9.423 10.813 8.149 1.00 0.00 O ATOM 0 H TYR A 65 -7.225 5.234 8.212 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.667 4.774 10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.959 4.725 8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.696 5.014 9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.072 7.228 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.324 6.549 6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.900 9.651 10.447 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.150 8.972 6.306 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.305 11.170 7.914 1.00 0.00 H new ATOM 983 N ARG A 66 -8.198 2.351 10.454 1.00 0.00 N ATOM 984 CA ARG A 66 -8.104 0.901 10.334 1.00 0.00 C ATOM 985 C ARG A 66 -9.406 0.315 9.794 1.00 0.00 C ATOM 986 O ARG A 66 -10.492 0.810 10.094 1.00 0.00 O ATOM 987 CB ARG A 66 -7.776 0.275 11.691 1.00 0.00 C ATOM 988 CG ARG A 66 -6.285 0.164 11.965 1.00 0.00 C ATOM 989 CD ARG A 66 -5.970 -1.026 12.858 1.00 0.00 C ATOM 990 NE ARG A 66 -4.533 -1.252 12.983 1.00 0.00 N ATOM 991 CZ ARG A 66 -3.987 -2.006 13.931 1.00 0.00 C ATOM 992 NH1 ARG A 66 -4.755 -2.605 14.830 1.00 0.00 N ATOM 993 NH2 ARG A 66 -2.670 -2.162 13.980 1.00 0.00 N ATOM 0 H ARG A 66 -7.994 2.711 11.386 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.302 0.671 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.238 0.871 12.478 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.221 -0.719 11.741 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.747 0.065 11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.932 1.080 12.439 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.398 -0.860 13.847 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.443 -1.920 12.451 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.914 -0.807 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.768 -2.488 14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.333 -3.183 15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.076 -1.703 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.252 -2.741 14.708 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.287 -0.742 8.996 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.453 -1.394 8.415 1.00 0.00 C ATOM 1009 C ILE A 67 -10.773 -2.696 9.142 1.00 0.00 C ATOM 1010 O ILE A 67 -9.962 -3.622 9.164 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.243 -1.692 6.919 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.102 -0.389 6.132 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.398 -2.521 6.378 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.613 -0.588 4.714 1.00 0.00 C ATOM 0 H ILE A 67 -8.395 -1.164 8.738 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.290 -0.704 8.526 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.323 -2.265 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.067 0.117 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.410 0.270 6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.236 -2.724 5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.456 -3.463 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.331 -1.971 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.537 0.379 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.633 -1.066 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.316 -1.221 4.172 1.00 0.00 H new ATOM 1026 N ASN A 68 -11.961 -2.760 9.733 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.390 -3.950 10.460 1.00 0.00 C ATOM 1028 C ASN A 68 -13.183 -4.885 9.553 1.00 0.00 C ATOM 1029 O ASN A 68 -14.016 -4.442 8.762 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.237 -3.555 11.671 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.497 -2.633 12.620 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.671 -3.078 13.417 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -12.789 -1.340 12.539 1.00 0.00 N ATOM 0 H ASN A 68 -12.644 -2.003 9.723 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.500 -4.476 10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.148 -3.064 11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.541 -4.454 12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.322 -0.672 13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.480 -1.015 11.863 1.00 0.00 H new ATOM 1040 N THR A 69 -12.920 -6.182 9.674 1.00 0.00 N ATOM 1041 CA THR A 69 -13.609 -7.180 8.865 1.00 0.00 C ATOM 1042 C THR A 69 -14.497 -8.070 9.728 1.00 0.00 C ATOM 1043 O THR A 69 -14.104 -8.489 10.818 1.00 0.00 O ATOM 1044 CB THR A 69 -12.610 -8.066 8.096 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.624 -7.249 7.456 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.327 -8.912 7.055 1.00 0.00 C ATOM 0 H THR A 69 -12.235 -6.566 10.325 1.00 0.00 H new ATOM 0 HA THR A 69 -14.227 -6.636 8.151 1.00 0.00 H new ATOM 0 HB THR A 69 -12.124 -8.731 8.810 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.992 -7.819 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.601 -9.529 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.058 -9.554 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.837 -8.261 6.345 1.00 0.00 H new ATOM 1054 N THR A 70 -15.698 -8.355 9.236 1.00 0.00 N ATOM 1055 CA THR A 70 -16.643 -9.193 9.961 1.00 0.00 C ATOM 1056 C THR A 70 -16.475 -10.662 9.588 1.00 0.00 C ATOM 1057 O THR A 70 -15.757 -10.994 8.645 1.00 0.00 O ATOM 1058 CB THR A 70 -18.097 -8.770 9.686 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.447 -9.067 8.329 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.287 -7.283 9.950 1.00 0.00 C ATOM 0 H THR A 70 -16.039 -8.017 8.336 1.00 0.00 H new ATOM 0 HA THR A 70 -16.429 -9.063 11.022 1.00 0.00 H new ATOM 0 HB THR A 70 -18.747 -9.329 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.374 -8.796 8.164 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.322 -7.007 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.049 -7.065 10.991 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.626 -6.711 9.299 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.141 -11.537 10.332 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.067 -12.972 10.077 1.00 0.00 C ATOM 1070 C ALA A 71 -17.118 -13.265 8.581 1.00 0.00 C ATOM 1071 O ALA A 71 -16.146 -13.751 8.002 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.196 -13.695 10.796 1.00 0.00 C ATOM 0 H ALA A 71 -17.739 -11.279 11.117 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.114 -13.336 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.128 -14.764 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.115 -13.520 11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.155 -13.319 10.438 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.254 -12.969 7.963 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.431 -13.202 6.534 1.00 0.00 C ATOM 1080 C ASP A 72 -17.308 -12.550 5.734 1.00 0.00 C ATOM 1081 O ASP A 72 -16.629 -13.209 4.947 1.00 0.00 O ATOM 1082 CB ASP A 72 -19.785 -12.661 6.070 1.00 0.00 C ATOM 1083 CG ASP A 72 -20.196 -13.212 4.719 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -21.280 -13.829 4.635 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -19.437 -13.026 3.746 1.00 0.00 O ATOM 0 H ASP A 72 -19.068 -12.567 8.428 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.400 -14.278 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.546 -12.913 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.740 -11.573 6.017 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.118 -11.250 5.942 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.076 -10.532 5.233 1.00 0.00 C ATOM 1093 C GLY A 73 -16.538 -9.169 4.749 1.00 0.00 C ATOM 1094 O GLY A 73 -16.572 -8.907 3.547 1.00 0.00 O ATOM 0 H GLY A 73 -17.667 -10.683 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.213 -10.409 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.746 -11.125 4.380 1.00 0.00 H new ATOM 1098 N LYS A 74 -16.896 -8.301 5.689 1.00 0.00 N ATOM 1099 CA LYS A 74 -17.359 -6.959 5.354 1.00 0.00 C ATOM 1100 C LYS A 74 -16.406 -5.902 5.904 1.00 0.00 C ATOM 1101 O LYS A 74 -16.010 -5.955 7.069 1.00 0.00 O ATOM 1102 CB LYS A 74 -18.767 -6.731 5.908 1.00 0.00 C ATOM 1103 CG LYS A 74 -19.762 -7.803 5.501 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.146 -7.522 6.063 1.00 0.00 C ATOM 1105 CE LYS A 74 -21.931 -6.578 5.163 1.00 0.00 C ATOM 1106 NZ LYS A 74 -23.308 -6.343 5.675 1.00 0.00 N ATOM 0 H LYS A 74 -16.875 -8.502 6.689 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.384 -6.870 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.717 -6.687 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.130 -5.762 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.814 -7.858 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.416 -8.775 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.692 -8.459 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.055 -7.086 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.404 -5.627 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.983 -6.995 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.811 -5.695 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.819 -7.247 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.258 -5.922 6.625 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.043 -4.942 5.059 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.139 -3.872 5.461 1.00 0.00 C ATOM 1122 C VAL A 75 -15.908 -2.595 5.784 1.00 0.00 C ATOM 1123 O VAL A 75 -16.877 -2.253 5.105 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.102 -3.569 4.364 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.181 -4.762 4.155 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -14.798 -3.189 3.065 1.00 0.00 C ATOM 0 H VAL A 75 -16.361 -4.884 4.092 1.00 0.00 H new ATOM 0 HA VAL A 75 -14.620 -4.217 6.355 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.494 -2.723 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.455 -4.529 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.657 -4.984 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.770 -5.628 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.051 -2.978 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.431 -4.014 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.412 -2.303 3.227 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.470 -1.892 6.823 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.119 -0.654 7.238 1.00 0.00 C ATOM 1138 C TYR A 76 -15.297 0.058 8.307 1.00 0.00 C ATOM 1139 O TYR A 76 -15.073 -0.475 9.393 1.00 0.00 O ATOM 1140 CB TYR A 76 -17.525 -0.942 7.767 1.00 0.00 C ATOM 1141 CG TYR A 76 -17.541 -1.499 9.172 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.128 -2.800 9.431 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -17.970 -0.725 10.242 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.142 -3.313 10.713 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -17.985 -1.228 11.529 1.00 0.00 C ATOM 1146 CZ TYR A 76 -17.570 -2.523 11.758 1.00 0.00 C ATOM 1147 OH TYR A 76 -17.586 -3.029 13.039 1.00 0.00 O ATOM 0 H TYR A 76 -14.668 -2.159 7.393 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.193 -0.002 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.109 -0.022 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.018 -1.649 7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.790 -3.421 8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.298 0.289 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -16.819 -4.327 10.896 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.319 -0.611 12.350 1.00 0.00 H new ATOM 0 HH TYR A 76 -17.913 -2.343 13.658 1.00 0.00 H new ATOM 1157 N VAL A 77 -14.852 1.271 7.990 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.057 2.061 8.923 1.00 0.00 C ATOM 1159 C VAL A 77 -14.913 3.109 9.624 1.00 0.00 C ATOM 1160 O VAL A 77 -14.853 4.295 9.299 1.00 0.00 O ATOM 1161 CB VAL A 77 -12.887 2.763 8.208 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -11.932 1.739 7.615 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -13.409 3.704 7.133 1.00 0.00 C ATOM 0 H VAL A 77 -15.029 1.727 7.095 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.657 1.369 9.664 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.337 3.354 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.112 2.254 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.533 1.110 8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.465 1.119 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.570 4.192 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -13.983 3.137 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.049 4.459 7.590 1.00 0.00 H new ATOM 1173 N THR A 78 -15.711 2.664 10.590 1.00 0.00 N ATOM 1174 CA THR A 78 -16.581 3.564 11.337 1.00 0.00 C ATOM 1175 C THR A 78 -17.312 2.822 12.451 1.00 0.00 C ATOM 1176 O THR A 78 -17.249 1.597 12.539 1.00 0.00 O ATOM 1177 CB THR A 78 -17.618 4.236 10.418 1.00 0.00 C ATOM 1178 OG1 THR A 78 -18.642 4.853 11.205 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.241 3.220 9.472 1.00 0.00 C ATOM 0 H THR A 78 -15.773 1.686 10.873 1.00 0.00 H new ATOM 0 HA THR A 78 -15.942 4.332 11.773 1.00 0.00 H new ATOM 0 HB THR A 78 -17.108 4.996 9.825 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.297 5.280 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 78 -18.970 3.718 8.833 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.462 2.773 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 78 -18.737 2.441 10.050 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.006 3.573 13.299 1.00 0.00 N ATOM 1188 CA ALA A 79 -18.750 2.987 14.407 1.00 0.00 C ATOM 1189 C ALA A 79 -20.209 3.430 14.383 1.00 0.00 C ATOM 1190 O ALA A 79 -20.913 3.332 15.387 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.105 3.357 15.733 1.00 0.00 C ATOM 0 H ALA A 79 -18.069 4.589 13.240 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.724 1.903 14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.672 2.912 16.550 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.081 2.984 15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.098 4.441 15.844 1.00 0.00 H new ATOM 1197 N GLU A 80 -20.656 3.919 13.231 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.031 4.381 13.078 1.00 0.00 C ATOM 1199 C GLU A 80 -22.818 3.450 12.160 1.00 0.00 C ATOM 1200 O GLU A 80 -24.026 3.277 12.321 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.056 5.806 12.523 1.00 0.00 C ATOM 1202 CG GLU A 80 -21.547 6.850 13.502 1.00 0.00 C ATOM 1203 CD GLU A 80 -21.802 8.268 13.028 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -20.820 9.016 12.841 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -22.983 8.630 12.843 1.00 0.00 O ATOM 0 H GLU A 80 -20.086 4.006 12.390 1.00 0.00 H new ATOM 0 HA GLU A 80 -22.501 4.375 14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -21.451 5.845 11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.077 6.057 12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.029 6.702 14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.477 6.709 13.654 1.00 0.00 H new ATOM 1213 N SER A 81 -22.123 2.855 11.194 1.00 0.00 N ATOM 1214 CA SER A 81 -22.756 1.947 10.247 1.00 0.00 C ATOM 1215 C SER A 81 -21.734 0.982 9.652 1.00 0.00 C ATOM 1216 O SER A 81 -20.536 1.100 9.905 1.00 0.00 O ATOM 1217 CB SER A 81 -23.441 2.736 9.129 1.00 0.00 C ATOM 1218 OG SER A 81 -24.531 2.012 8.586 1.00 0.00 O ATOM 0 H SER A 81 -21.122 2.986 11.048 1.00 0.00 H new ATOM 0 HA SER A 81 -23.507 1.368 10.785 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.793 3.692 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 81 -22.720 2.958 8.342 1.00 0.00 H new ATOM 0 HG SER A 81 -24.952 2.539 7.875 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.218 0.031 8.860 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.348 -0.953 8.230 1.00 0.00 C ATOM 1226 C ARG A 82 -21.583 -1.001 6.723 1.00 0.00 C ATOM 1227 O ARG A 82 -22.634 -0.589 6.234 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.585 -2.338 8.838 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.147 -2.449 10.288 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.352 -3.857 10.827 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.750 -4.119 11.154 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.645 -4.545 10.270 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.290 -4.756 9.010 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.900 -4.760 10.646 1.00 0.00 N ATOM 0 H ARG A 82 -23.208 -0.078 8.640 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.315 -0.656 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.646 -2.580 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.049 -3.081 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.095 -2.175 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -21.711 -1.740 10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.011 -4.582 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.739 -3.997 11.717 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.057 -3.966 12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.327 -4.591 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.980 -5.083 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.177 -4.598 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.587 -5.087 9.967 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.595 -1.506 5.992 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.693 -1.606 4.539 1.00 0.00 C ATOM 1250 C PHE A 83 -20.517 -3.049 4.081 1.00 0.00 C ATOM 1251 O PHE A 83 -20.036 -3.898 4.832 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.641 -0.716 3.874 1.00 0.00 C ATOM 1253 CG PHE A 83 -19.762 0.736 4.244 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -20.580 1.583 3.516 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.057 1.250 5.320 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -20.694 2.919 3.854 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.167 2.584 5.664 1.00 0.00 C ATOM 1258 CZ PHE A 83 -19.984 3.420 4.928 1.00 0.00 C ATOM 0 H PHE A 83 -19.718 -1.852 6.381 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.686 -1.268 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.649 -1.072 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.725 -0.815 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.135 1.196 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.414 0.601 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.337 3.570 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.615 2.972 6.507 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.068 4.464 5.192 1.00 0.00 H new ATOM 1268 N SER A 84 -20.911 -3.323 2.840 1.00 0.00 N ATOM 1269 CA SER A 84 -20.803 -4.665 2.282 1.00 0.00 C ATOM 1270 C SER A 84 -19.415 -4.897 1.693 1.00 0.00 C ATOM 1271 O SER A 84 -18.710 -5.831 2.079 1.00 0.00 O ATOM 1272 CB SER A 84 -21.868 -4.882 1.207 1.00 0.00 C ATOM 1273 OG SER A 84 -23.146 -5.078 1.786 1.00 0.00 O ATOM 0 H SER A 84 -21.308 -2.632 2.203 1.00 0.00 H new ATOM 0 HA SER A 84 -20.962 -5.381 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.896 -4.021 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.604 -5.748 0.599 1.00 0.00 H new ATOM 0 HG SER A 84 -23.809 -5.213 1.077 1.00 0.00 H new ATOM 1279 N THR A 85 -19.026 -4.041 0.753 1.00 0.00 N ATOM 1280 CA THR A 85 -17.724 -4.151 0.109 1.00 0.00 C ATOM 1281 C THR A 85 -16.926 -2.861 0.255 1.00 0.00 C ATOM 1282 O THR A 85 -17.422 -1.871 0.795 1.00 0.00 O ATOM 1283 CB THR A 85 -17.864 -4.488 -1.388 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.567 -3.438 -2.062 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.604 -5.803 -1.580 1.00 0.00 C ATOM 0 H THR A 85 -19.596 -3.263 0.421 1.00 0.00 H new ATOM 0 HA THR A 85 -17.193 -4.961 0.609 1.00 0.00 H new ATOM 0 HB THR A 85 -16.864 -4.587 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.651 -3.658 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.691 -6.020 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.053 -6.606 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.600 -5.727 -1.143 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.690 -2.878 -0.230 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.823 -1.706 -0.154 1.00 0.00 C ATOM 1295 C LEU A 86 -15.373 -0.565 -1.004 1.00 0.00 C ATOM 1296 O LEU A 86 -15.615 0.534 -0.504 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.409 -2.064 -0.615 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.278 -1.223 -0.021 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.244 -1.367 1.493 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.941 -1.626 -0.627 1.00 0.00 C ATOM 0 H LEU A 86 -15.265 -3.689 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.789 -1.377 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.223 -3.110 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.369 -1.976 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.464 -0.176 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.433 -0.762 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.192 -1.030 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.082 -2.412 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.147 -1.018 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.748 -2.678 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.969 -1.471 -1.706 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.571 -0.833 -2.290 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.098 0.170 -3.209 1.00 0.00 C ATOM 1314 C ALA A 87 -17.094 1.085 -2.509 1.00 0.00 C ATOM 1315 O ALA A 87 -16.956 2.306 -2.538 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.746 -0.504 -4.409 1.00 0.00 C ATOM 0 H ALA A 87 -15.374 -1.737 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.266 0.783 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.135 0.256 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.005 -1.110 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.563 -1.141 -4.071 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.101 0.485 -1.879 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.123 1.249 -1.173 1.00 0.00 C ATOM 1324 C GLU A 88 -18.516 2.013 0.001 1.00 0.00 C ATOM 1325 O GLU A 88 -18.672 3.230 0.110 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.231 0.319 -0.672 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.766 -0.620 -1.739 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.804 0.036 -2.629 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.866 -0.312 -3.826 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.555 0.899 -2.126 1.00 0.00 O ATOM 0 H GLU A 88 -18.230 -0.526 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.550 1.969 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.849 -0.271 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.053 0.922 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.938 -0.974 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.205 -1.495 -1.260 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.828 1.290 0.876 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.197 1.900 2.044 1.00 0.00 C ATOM 1340 C LEU A 89 -16.595 3.255 1.691 1.00 0.00 C ATOM 1341 O LEU A 89 -16.878 4.261 2.344 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.113 0.976 2.603 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.264 1.549 3.737 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.412 0.459 4.368 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.389 2.685 3.229 1.00 0.00 C ATOM 0 H LEU A 89 -17.692 0.282 0.801 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.964 2.051 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.590 0.063 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.449 0.692 1.787 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.933 1.947 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.814 0.885 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.058 -0.321 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.752 0.031 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.792 3.080 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.728 2.313 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.019 3.477 2.825 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.765 3.277 0.653 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.123 4.510 0.211 1.00 0.00 C ATOM 1359 C VAL A 90 -16.112 5.408 -0.526 1.00 0.00 C ATOM 1360 O VAL A 90 -16.303 6.569 -0.161 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.923 4.221 -0.710 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.224 5.514 -1.096 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.956 3.261 -0.035 1.00 0.00 C ATOM 0 H VAL A 90 -15.521 2.454 0.102 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.767 5.021 1.106 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.290 3.750 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.379 5.290 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.924 6.163 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.867 6.017 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.113 3.067 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.593 3.703 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.468 2.324 0.185 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.737 4.864 -1.564 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.707 5.616 -2.352 1.00 0.00 C ATOM 1375 C HIS A 91 -18.766 6.246 -1.454 1.00 0.00 C ATOM 1376 O HIS A 91 -18.836 7.468 -1.323 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.373 4.705 -3.384 1.00 0.00 C ATOM 1378 CG HIS A 91 -18.982 5.448 -4.534 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -18.245 5.921 -5.598 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.266 5.795 -4.783 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.049 6.530 -6.452 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.282 6.466 -5.980 1.00 0.00 N ATOM 0 H HIS A 91 -16.590 3.905 -1.880 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.176 6.414 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.633 4.002 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.147 4.117 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.120 5.583 -4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -18.750 7.000 -7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.111 6.853 -6.432 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.590 5.404 -0.837 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.646 5.879 0.049 1.00 0.00 C ATOM 1393 C HIS A 92 -20.154 7.041 0.906 1.00 0.00 C ATOM 1394 O HIS A 92 -20.744 8.122 0.903 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.139 4.743 0.945 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.540 4.934 1.439 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.643 4.412 0.799 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -23.013 5.594 2.522 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.734 4.744 1.464 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -24.380 5.461 2.514 1.00 0.00 N ATOM 0 H HIS A 92 -19.546 4.390 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.473 6.230 -0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.082 3.805 0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.470 4.650 1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -22.425 6.126 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.745 4.475 1.195 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -25.018 5.853 3.207 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.070 6.811 1.641 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.499 7.838 2.503 1.00 0.00 C ATOM 1411 C HIS A 93 -18.314 9.147 1.741 1.00 0.00 C ATOM 1412 O HIS A 93 -18.554 10.229 2.277 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.158 7.372 3.071 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.288 6.536 4.306 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.374 6.609 5.153 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.462 5.604 4.836 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.211 5.759 6.151 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.057 5.137 5.982 1.00 0.00 N ATOM 0 H HIS A 93 -18.570 5.922 1.656 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.193 8.011 3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.629 6.799 2.309 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.545 8.245 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.512 5.287 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.902 5.600 6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -16.671 4.425 6.602 1.00 0.00 H new ATOM 1427 N SER A 94 -17.888 9.040 0.487 1.00 0.00 N ATOM 1428 CA SER A 94 -17.665 10.216 -0.347 1.00 0.00 C ATOM 1429 C SER A 94 -18.812 11.212 -0.199 1.00 0.00 C ATOM 1430 O SER A 94 -18.653 12.405 -0.461 1.00 0.00 O ATOM 1431 CB SER A 94 -17.521 9.804 -1.815 1.00 0.00 C ATOM 1432 OG SER A 94 -16.568 8.766 -1.961 1.00 0.00 O ATOM 0 H SER A 94 -17.690 8.152 0.026 1.00 0.00 H new ATOM 0 HA SER A 94 -16.744 10.696 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.486 9.473 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.219 10.666 -2.410 1.00 0.00 H new ATOM 0 HG SER A 94 -16.877 7.968 -1.483 1.00 0.00 H new ATOM 1438 N THR A 95 -19.970 10.713 0.226 1.00 0.00 N ATOM 1439 CA THR A 95 -21.143 11.558 0.409 1.00 0.00 C ATOM 1440 C THR A 95 -21.180 12.149 1.813 1.00 0.00 C ATOM 1441 O THR A 95 -21.492 13.327 1.994 1.00 0.00 O ATOM 1442 CB THR A 95 -22.444 10.772 0.161 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.428 10.201 -1.152 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.660 11.675 0.311 1.00 0.00 C ATOM 0 H THR A 95 -20.119 9.729 0.449 1.00 0.00 H new ATOM 0 HA THR A 95 -21.069 12.365 -0.320 1.00 0.00 H new ATOM 0 HB THR A 95 -22.508 9.976 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.258 9.701 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.567 11.097 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.686 12.086 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.600 12.489 -0.411 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.859 11.327 2.807 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.854 11.769 4.195 1.00 0.00 C ATOM 1454 C VAL A 96 -19.574 11.342 4.904 1.00 0.00 C ATOM 1455 O VAL A 96 -19.033 10.268 4.636 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.065 11.212 4.966 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -21.934 9.710 5.154 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.211 11.916 6.308 1.00 0.00 C ATOM 0 H VAL A 96 -20.599 10.350 2.676 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.911 12.857 4.180 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.965 11.403 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.799 9.335 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.882 9.224 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.026 9.492 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.072 11.510 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.310 11.758 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.356 12.984 6.145 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.094 12.187 5.810 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.880 11.894 6.560 1.00 0.00 C ATOM 1470 C ALA A 97 -18.165 10.950 7.723 1.00 0.00 C ATOM 1471 O ALA A 97 -17.326 10.764 8.605 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.249 13.183 7.067 1.00 0.00 C ATOM 0 H ALA A 97 -19.528 13.080 6.042 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.180 11.398 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.343 12.949 7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.999 13.823 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.953 13.701 7.718 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.354 10.357 7.720 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.751 9.431 8.774 1.00 0.00 C ATOM 1480 C ASP A 98 -18.669 8.382 9.011 1.00 0.00 C ATOM 1481 O ASP A 98 -18.695 7.305 8.417 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.071 8.749 8.413 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.277 9.541 8.877 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -22.089 10.536 9.609 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -23.410 9.168 8.506 1.00 0.00 O ATOM 0 H ASP A 98 -20.060 10.501 6.998 1.00 0.00 H new ATOM 0 HA ASP A 98 -19.886 10.001 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.123 8.613 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.098 7.756 8.861 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.718 8.705 9.882 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.639 7.781 10.180 1.00 0.00 C ATOM 1493 C GLY A 99 -15.271 8.410 10.008 1.00 0.00 C ATOM 1494 O GLY A 99 -14.406 8.277 10.875 1.00 0.00 O ATOM 0 H GLY A 99 -17.675 9.590 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.744 7.423 11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.720 6.911 9.528 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.074 9.096 8.888 1.00 0.00 N ATOM 1499 CA LEU A 100 -13.799 9.748 8.605 1.00 0.00 C ATOM 1500 C LEU A 100 -13.791 11.178 9.133 1.00 0.00 C ATOM 1501 O LEU A 100 -14.806 11.681 9.613 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.527 9.746 7.098 1.00 0.00 C ATOM 1503 CG LEU A 100 -13.734 8.411 6.381 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -13.371 8.535 4.909 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -12.913 7.317 7.045 1.00 0.00 C ATOM 0 H LEU A 100 -15.780 9.216 8.161 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.012 9.189 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.172 10.490 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.499 10.068 6.934 1.00 0.00 H new ATOM 0 HG LEU A 100 -14.787 8.140 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.524 7.576 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.003 9.290 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.325 8.828 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.072 6.374 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.856 7.580 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.221 7.211 8.085 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.637 11.831 9.037 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.496 13.206 9.503 1.00 0.00 C ATOM 1519 C VAL A 101 -13.233 14.175 8.586 1.00 0.00 C ATOM 1520 O VAL A 101 -13.683 15.236 9.018 1.00 0.00 O ATOM 1521 CB VAL A 101 -11.014 13.621 9.585 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.192 12.534 10.260 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.470 13.930 8.198 1.00 0.00 C ATOM 0 H VAL A 101 -11.787 11.430 8.641 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.934 13.249 10.500 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.940 14.526 10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.148 12.845 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.569 12.367 11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.269 11.610 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.422 14.221 8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.555 13.045 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.042 14.746 7.756 1.00 0.00 H new ATOM 1533 N THR A 102 -13.356 13.802 7.315 1.00 0.00 N ATOM 1534 CA THR A 102 -14.039 14.638 6.336 1.00 0.00 C ATOM 1535 C THR A 102 -14.431 13.832 5.103 1.00 0.00 C ATOM 1536 O THR A 102 -13.808 12.817 4.788 1.00 0.00 O ATOM 1537 CB THR A 102 -13.161 15.826 5.901 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.934 16.752 5.131 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.970 15.348 5.083 1.00 0.00 C ATOM 0 H THR A 102 -12.991 12.926 6.940 1.00 0.00 H new ATOM 0 HA THR A 102 -14.939 15.019 6.819 1.00 0.00 H new ATOM 0 HB THR A 102 -12.790 16.322 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.368 17.505 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.365 16.205 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.366 14.667 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.325 14.830 4.192 1.00 0.00 H new ATOM 1547 N THR A 103 -15.468 14.289 4.408 1.00 0.00 N ATOM 1548 CA THR A 103 -15.943 13.610 3.209 1.00 0.00 C ATOM 1549 C THR A 103 -14.830 13.472 2.176 1.00 0.00 C ATOM 1550 O THR A 103 -14.124 14.437 1.877 1.00 0.00 O ATOM 1551 CB THR A 103 -17.128 14.360 2.572 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.796 15.741 2.393 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.373 14.240 3.439 1.00 0.00 C ATOM 0 H THR A 103 -15.995 15.127 4.655 1.00 0.00 H new ATOM 0 HA THR A 103 -16.273 12.618 3.518 1.00 0.00 H new ATOM 0 HB THR A 103 -17.335 13.909 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.554 16.210 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.197 14.777 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.641 13.189 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.175 14.668 4.422 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.676 12.270 1.635 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.648 12.006 0.635 1.00 0.00 C ATOM 1563 C LEU A 104 -13.780 12.962 -0.547 1.00 0.00 C ATOM 1564 O LEU A 104 -14.716 12.860 -1.340 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.743 10.559 0.147 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.569 9.478 1.215 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.776 8.097 0.614 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.195 9.581 1.860 1.00 0.00 C ATOM 0 H LEU A 104 -15.251 11.461 1.872 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.675 12.164 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.714 10.420 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.987 10.406 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.322 9.632 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.648 7.340 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.782 8.027 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.046 7.932 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.089 8.804 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.425 9.453 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.085 10.560 2.327 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.834 13.890 -0.657 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.843 14.864 -1.744 1.00 0.00 C ATOM 1582 C HIS A 105 -12.329 14.239 -3.038 1.00 0.00 C ATOM 1583 O HIS A 105 -13.071 14.103 -4.010 1.00 0.00 O ATOM 1584 CB HIS A 105 -11.990 16.077 -1.376 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.610 16.951 -0.330 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -11.879 17.806 0.468 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -13.903 17.101 0.045 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -12.695 18.442 1.290 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.928 18.033 1.053 1.00 0.00 N ATOM 0 H HIS A 105 -12.053 13.988 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.872 15.187 -1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.018 15.733 -1.021 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.810 16.670 -2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.755 16.584 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.403 19.172 2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.764 18.357 1.540 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.055 13.861 -3.042 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.442 13.254 -4.216 1.00 0.00 C ATOM 1600 C TYR A 106 -9.567 12.068 -3.822 1.00 0.00 C ATOM 1601 O TYR A 106 -8.763 12.138 -2.892 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.606 14.288 -4.974 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.388 15.517 -5.377 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.570 15.408 -6.100 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.944 16.790 -5.040 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.286 16.527 -6.473 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.655 17.916 -5.406 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.825 17.780 -6.123 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.536 18.899 -6.492 1.00 0.00 O ATOM 0 H TYR A 106 -10.427 13.965 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.240 12.895 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.765 14.591 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.190 13.823 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.935 14.429 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.026 16.901 -4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.202 16.423 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.297 18.897 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.076 19.701 -6.167 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.725 10.951 -4.546 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.958 9.727 -4.293 1.00 0.00 C ATOM 1621 C PRO A 107 -7.487 9.878 -4.665 1.00 0.00 C ATOM 1622 O PRO A 107 -7.043 10.957 -5.055 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.635 8.691 -5.194 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.253 9.489 -6.289 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.664 10.796 -5.670 1.00 0.00 C ATOM 0 HA PRO A 107 -8.957 9.457 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.913 7.974 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.386 8.121 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.545 9.648 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.113 8.970 -6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.582 11.620 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.699 10.771 -5.329 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.736 8.788 -4.542 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.315 8.799 -4.869 1.00 0.00 C ATOM 1635 C ALA A 108 -5.100 8.829 -6.378 1.00 0.00 C ATOM 1636 O ALA A 108 -5.971 8.456 -7.163 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.625 7.587 -4.260 1.00 0.00 C ATOM 0 H ALA A 108 -7.088 7.887 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.877 9.704 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.565 7.607 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.741 7.608 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.074 6.676 -4.655 1.00 0.00 H new