USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -1.04 K(o=-4.7,f=-5.6!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -3.65! C(o=-4.7!,f=-9.2!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -2.08 F(o=-4.5!,f=-2.1) USER MOD Set 3.1: A 83 TYR OH : rot -129:sc= 0.535 USER MOD Set 3.2: A 101 TYR OH : rot 30:sc= -0.018 USER MOD Set 4.1: A 78 ASN : amide:sc= -0.269 X(o=-0.04,f=0.17) USER MOD Set 4.2: A 82 THR OG1 : rot -46:sc= 0.229 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.0884 USER MOD Single : A 22 SER OG : rot 65:sc=0.000217 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 82:sc= -2.51 USER MOD Single : A 48 SER OG : rot -160:sc= 0 USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.0345 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.816 F(o=-1.3,f=-0.82) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.611 F(o=-2!,f=-0.61) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0 USER MOD Single : A 73 CYS SG : rot -142:sc= 1.11 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -173:sc= 0.0387 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.897) USER MOD Single : A 100 THR OG1 : rot 42:sc= 0.175 USER MOD Single : A 108 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.061) USER MOD Single : A 109 SER OG : rot -11:sc= 0.545 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.430 20.699 1.292 1.00 0.00 N ATOM 245 CA VAL A 19 1.012 19.881 0.234 1.00 0.00 C ATOM 246 C VAL A 19 -0.067 19.332 -0.692 1.00 0.00 C ATOM 247 O VAL A 19 -1.240 19.265 -0.324 1.00 0.00 O ATOM 248 CB VAL A 19 1.822 18.706 0.814 1.00 0.00 C ATOM 249 CG1 VAL A 19 0.894 17.675 1.440 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.687 18.072 -0.264 1.00 0.00 C ATOM 0 HA VAL A 19 1.680 20.528 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 19 2.478 19.090 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.484 16.852 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.322 18.140 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.210 17.293 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.252 17.244 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.052 17.701 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.378 18.816 -0.661 1.00 0.00 H new ATOM 260 N ASP A 20 0.338 18.939 -1.895 1.00 0.00 N ATOM 261 CA ASP A 20 -0.595 18.394 -2.875 1.00 0.00 C ATOM 262 C ASP A 20 -0.763 16.889 -2.687 1.00 0.00 C ATOM 263 O ASP A 20 -1.873 16.398 -2.479 1.00 0.00 O ATOM 264 CB ASP A 20 -0.108 18.692 -4.294 1.00 0.00 C ATOM 265 CG ASP A 20 -1.195 18.495 -5.332 1.00 0.00 C ATOM 266 OD1 ASP A 20 -2.385 18.633 -4.979 1.00 0.00 O ATOM 267 OD2 ASP A 20 -0.856 18.203 -6.498 1.00 0.00 O ATOM 0 H ASP A 20 1.305 18.988 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.563 18.871 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.255 19.719 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.736 18.044 -4.529 1.00 0.00 H new ATOM 272 N THR A 21 0.347 16.161 -2.761 1.00 0.00 N ATOM 273 CA THR A 21 0.323 14.713 -2.601 1.00 0.00 C ATOM 274 C THR A 21 -0.937 14.113 -3.214 1.00 0.00 C ATOM 275 O THR A 21 -1.573 13.241 -2.621 1.00 0.00 O ATOM 276 CB THR A 21 0.400 14.310 -1.116 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.618 14.988 -0.371 1.00 0.00 O ATOM 278 CG2 THR A 21 1.766 14.642 -0.536 1.00 0.00 C ATOM 0 H THR A 21 1.274 16.551 -2.931 1.00 0.00 H new ATOM 0 HA THR A 21 1.198 14.323 -3.121 1.00 0.00 H new ATOM 0 HB THR A 21 0.245 13.233 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.310 15.130 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.797 14.349 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.536 14.102 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.946 15.714 -0.618 1.00 0.00 H new ATOM 286 N SER A 22 -1.293 14.585 -4.404 1.00 0.00 N ATOM 287 CA SER A 22 -2.480 14.097 -5.096 1.00 0.00 C ATOM 288 C SER A 22 -2.095 13.299 -6.339 1.00 0.00 C ATOM 289 O SER A 22 -2.893 12.521 -6.862 1.00 0.00 O ATOM 290 CB SER A 22 -3.386 15.266 -5.488 1.00 0.00 C ATOM 291 OG SER A 22 -4.340 15.533 -4.475 1.00 0.00 O ATOM 0 H SER A 22 -0.776 15.305 -4.909 1.00 0.00 H new ATOM 0 HA SER A 22 -3.021 13.440 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.781 16.155 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.898 15.036 -6.423 1.00 0.00 H new ATOM 0 HG SER A 22 -3.881 15.840 -3.666 1.00 0.00 H new ATOM 297 N ARG A 23 -0.867 13.499 -6.805 1.00 0.00 N ATOM 298 CA ARG A 23 -0.375 12.800 -7.987 1.00 0.00 C ATOM 299 C ARG A 23 0.717 11.803 -7.613 1.00 0.00 C ATOM 300 O ARG A 23 1.530 11.413 -8.452 1.00 0.00 O ATOM 301 CB ARG A 23 0.162 13.801 -9.011 1.00 0.00 C ATOM 302 CG ARG A 23 1.126 14.817 -8.421 1.00 0.00 C ATOM 303 CD ARG A 23 1.640 15.778 -9.482 1.00 0.00 C ATOM 304 NE ARG A 23 0.635 16.769 -9.857 1.00 0.00 N ATOM 305 CZ ARG A 23 0.602 17.372 -11.040 1.00 0.00 C ATOM 306 NH1 ARG A 23 1.514 17.086 -11.959 1.00 0.00 N ATOM 307 NH2 ARG A 23 -0.345 18.262 -11.306 1.00 0.00 N ATOM 0 H ARG A 23 -0.194 14.139 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.208 12.252 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.665 13.256 -9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.677 14.329 -9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.627 15.378 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.967 14.298 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.529 16.287 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.941 15.215 -10.365 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.081 17.012 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.243 16.402 -11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.486 17.550 -12.867 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.049 18.484 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.369 18.725 -12.215 1.00 0.00 H new ATOM 321 N ILE A 24 0.731 11.394 -6.348 1.00 0.00 N ATOM 322 CA ILE A 24 1.723 10.442 -5.864 1.00 0.00 C ATOM 323 C ILE A 24 1.436 9.038 -6.384 1.00 0.00 C ATOM 324 O ILE A 24 0.344 8.503 -6.191 1.00 0.00 O ATOM 325 CB ILE A 24 1.767 10.410 -4.325 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.365 11.709 -3.782 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.570 9.210 -3.844 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.510 11.725 -2.277 1.00 0.00 C ATOM 0 H ILE A 24 0.067 11.707 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 24 2.691 10.774 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 24 0.748 10.317 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.344 11.866 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.735 12.545 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.593 9.200 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.105 8.293 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.588 9.276 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.940 12.676 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.530 11.600 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.164 10.911 -1.966 1.00 0.00 H new ATOM 340 N LYS A 25 2.425 8.443 -7.042 1.00 0.00 N ATOM 341 CA LYS A 25 2.282 7.098 -7.587 1.00 0.00 C ATOM 342 C LYS A 25 3.097 6.094 -6.778 1.00 0.00 C ATOM 343 O LYS A 25 4.069 6.457 -6.116 1.00 0.00 O ATOM 344 CB LYS A 25 2.726 7.070 -9.051 1.00 0.00 C ATOM 345 CG LYS A 25 1.606 7.369 -10.033 1.00 0.00 C ATOM 346 CD LYS A 25 0.815 6.118 -10.375 1.00 0.00 C ATOM 347 CE LYS A 25 0.231 6.194 -11.777 1.00 0.00 C ATOM 348 NZ LYS A 25 -0.863 5.203 -11.977 1.00 0.00 N ATOM 0 H LYS A 25 3.335 8.871 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 25 1.230 6.818 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.526 7.797 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.143 6.089 -9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.938 8.118 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.024 7.796 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.462 5.244 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.011 5.986 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.152 7.199 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.019 6.017 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.235 5.287 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.492 4.242 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.627 5.387 -11.296 1.00 0.00 H new ATOM 362 N VAL A 26 2.695 4.828 -6.838 1.00 0.00 N ATOM 363 CA VAL A 26 3.389 3.771 -6.113 1.00 0.00 C ATOM 364 C VAL A 26 3.458 2.492 -6.939 1.00 0.00 C ATOM 365 O VAL A 26 2.438 1.991 -7.415 1.00 0.00 O ATOM 366 CB VAL A 26 2.699 3.464 -4.770 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.943 4.589 -3.775 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.209 3.238 -4.976 1.00 0.00 C ATOM 0 H VAL A 26 1.892 4.510 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 26 4.400 4.131 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 26 3.129 2.550 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.448 4.355 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.014 4.699 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.542 5.521 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.738 3.022 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.761 4.133 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.059 2.396 -5.652 1.00 0.00 H new ATOM 378 N PHE A 27 4.667 1.966 -7.106 1.00 0.00 N ATOM 379 CA PHE A 27 4.870 0.745 -7.876 1.00 0.00 C ATOM 380 C PHE A 27 5.673 -0.276 -7.075 1.00 0.00 C ATOM 381 O PHE A 27 6.611 0.077 -6.362 1.00 0.00 O ATOM 382 CB PHE A 27 5.589 1.058 -9.190 1.00 0.00 C ATOM 383 CG PHE A 27 6.762 1.981 -9.026 1.00 0.00 C ATOM 384 CD1 PHE A 27 6.581 3.354 -8.984 1.00 0.00 C ATOM 385 CD2 PHE A 27 8.048 1.475 -8.915 1.00 0.00 C ATOM 386 CE1 PHE A 27 7.658 4.206 -8.833 1.00 0.00 C ATOM 387 CE2 PHE A 27 9.129 2.322 -8.763 1.00 0.00 C ATOM 388 CZ PHE A 27 8.935 3.689 -8.723 1.00 0.00 C ATOM 0 H PHE A 27 5.521 2.367 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 27 3.892 0.319 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.931 0.125 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.879 1.505 -9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.585 3.763 -9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.207 0.407 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.502 5.274 -8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.126 1.915 -8.675 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.779 4.352 -8.606 1.00 0.00 H new ATOM 398 N GLY A 28 5.297 -1.545 -7.199 1.00 0.00 N ATOM 399 CA GLY A 28 5.992 -2.598 -6.481 1.00 0.00 C ATOM 400 C GLY A 28 5.060 -3.708 -6.036 1.00 0.00 C ATOM 401 O GLY A 28 3.848 -3.523 -5.923 1.00 0.00 O ATOM 0 H GLY A 28 4.524 -1.863 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.771 -3.016 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.488 -2.173 -5.609 1.00 0.00 H new ATOM 405 N PRO A 29 5.629 -4.895 -5.776 1.00 0.00 N ATOM 406 CA PRO A 29 4.859 -6.062 -5.338 1.00 0.00 C ATOM 407 C PRO A 29 4.317 -5.901 -3.921 1.00 0.00 C ATOM 408 O PRO A 29 3.227 -6.376 -3.605 1.00 0.00 O ATOM 409 CB PRO A 29 5.879 -7.202 -5.393 1.00 0.00 C ATOM 410 CG PRO A 29 7.202 -6.534 -5.233 1.00 0.00 C ATOM 411 CD PRO A 29 7.067 -5.187 -5.889 1.00 0.00 C ATOM 0 HA PRO A 29 3.980 -6.227 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.704 -7.929 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.819 -7.741 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.462 -6.431 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.994 -7.119 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.671 -4.432 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.391 -5.212 -6.929 1.00 0.00 H new ATOM 419 N GLY A 30 5.087 -5.228 -3.071 1.00 0.00 N ATOM 420 CA GLY A 30 4.666 -5.016 -1.698 1.00 0.00 C ATOM 421 C GLY A 30 3.380 -4.219 -1.602 1.00 0.00 C ATOM 422 O GLY A 30 2.675 -4.286 -0.595 1.00 0.00 O ATOM 0 H GLY A 30 5.994 -4.826 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.529 -5.981 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.455 -4.494 -1.156 1.00 0.00 H new ATOM 426 N ILE A 31 3.075 -3.463 -2.651 1.00 0.00 N ATOM 427 CA ILE A 31 1.866 -2.650 -2.679 1.00 0.00 C ATOM 428 C ILE A 31 0.856 -3.201 -3.680 1.00 0.00 C ATOM 429 O ILE A 31 -0.342 -2.940 -3.575 1.00 0.00 O ATOM 430 CB ILE A 31 2.180 -1.185 -3.038 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.963 -0.298 -2.768 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.609 -1.077 -4.494 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.634 -0.154 -1.299 1.00 0.00 C ATOM 0 H ILE A 31 3.648 -3.397 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 31 1.439 -2.686 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 31 3.002 -0.841 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.143 0.691 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.099 -0.713 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.827 -0.036 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.501 -1.681 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.806 -1.436 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.239 0.488 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.422 -1.136 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.482 0.290 -0.778 1.00 0.00 H new ATOM 445 N GLU A 32 1.349 -3.966 -4.649 1.00 0.00 N ATOM 446 CA GLU A 32 0.488 -4.556 -5.668 1.00 0.00 C ATOM 447 C GLU A 32 -0.078 -5.892 -5.195 1.00 0.00 C ATOM 448 O GLU A 32 -1.280 -6.138 -5.293 1.00 0.00 O ATOM 449 CB GLU A 32 1.264 -4.751 -6.972 1.00 0.00 C ATOM 450 CG GLU A 32 1.616 -3.449 -7.672 1.00 0.00 C ATOM 451 CD GLU A 32 0.531 -2.988 -8.626 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.640 -2.905 -8.199 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.853 -2.711 -9.800 1.00 0.00 O ATOM 0 H GLU A 32 2.339 -4.192 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.342 -3.872 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.182 -5.299 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.673 -5.369 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.791 -2.675 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.548 -3.577 -8.222 1.00 0.00 H new ATOM 460 N GLY A 33 0.798 -6.752 -4.684 1.00 0.00 N ATOM 461 CA GLY A 33 0.367 -8.052 -4.205 1.00 0.00 C ATOM 462 C GLY A 33 0.849 -9.185 -5.090 1.00 0.00 C ATOM 463 O GLY A 33 0.108 -10.130 -5.360 1.00 0.00 O ATOM 0 H GLY A 33 1.798 -6.572 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.738 -8.204 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.722 -8.074 -4.152 1.00 0.00 H new ATOM 467 N LYS A 34 2.093 -9.089 -5.545 1.00 0.00 N ATOM 468 CA LYS A 34 2.674 -10.113 -6.406 1.00 0.00 C ATOM 469 C LYS A 34 3.421 -11.157 -5.582 1.00 0.00 C ATOM 470 O LYS A 34 2.969 -12.294 -5.447 1.00 0.00 O ATOM 471 CB LYS A 34 3.625 -9.475 -7.422 1.00 0.00 C ATOM 472 CG LYS A 34 3.040 -8.261 -8.123 1.00 0.00 C ATOM 473 CD LYS A 34 1.823 -8.631 -8.955 1.00 0.00 C ATOM 474 CE LYS A 34 2.213 -9.007 -10.376 1.00 0.00 C ATOM 475 NZ LYS A 34 2.237 -7.821 -11.277 1.00 0.00 N ATOM 0 H LYS A 34 2.719 -8.312 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 34 1.862 -10.608 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.544 -9.183 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.897 -10.220 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.762 -7.511 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.797 -7.810 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.301 -9.466 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.127 -7.792 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.196 -9.479 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.509 -9.743 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.507 -8.119 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.293 -7.385 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.928 -7.129 -10.922 1.00 0.00 H new ATOM 489 N ASP A 35 4.564 -10.763 -5.032 1.00 0.00 N ATOM 490 CA ASP A 35 5.372 -11.664 -4.218 1.00 0.00 C ATOM 491 C ASP A 35 5.241 -11.324 -2.737 1.00 0.00 C ATOM 492 O ASP A 35 6.189 -11.480 -1.967 1.00 0.00 O ATOM 493 CB ASP A 35 6.839 -11.592 -4.643 1.00 0.00 C ATOM 494 CG ASP A 35 7.292 -10.172 -4.921 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.477 -9.407 -3.951 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.462 -9.826 -6.108 1.00 0.00 O ATOM 0 H ASP A 35 4.952 -9.825 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 35 5.007 -12.679 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.463 -12.023 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.986 -12.199 -5.537 1.00 0.00 H new ATOM 501 N VAL A 36 4.059 -10.858 -2.344 1.00 0.00 N ATOM 502 CA VAL A 36 3.804 -10.496 -0.955 1.00 0.00 C ATOM 503 C VAL A 36 3.331 -11.702 -0.151 1.00 0.00 C ATOM 504 O VAL A 36 2.731 -11.554 0.914 1.00 0.00 O ATOM 505 CB VAL A 36 2.749 -9.378 -0.852 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.667 -8.852 0.573 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.068 -8.254 -1.826 1.00 0.00 C ATOM 0 H VAL A 36 3.264 -10.723 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 36 4.747 -10.136 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 36 1.777 -9.793 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.917 -8.063 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.389 -9.664 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.637 -8.452 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.313 -7.473 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.048 -7.838 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.072 -8.645 -2.844 1.00 0.00 H new ATOM 517 N PHE A 37 3.605 -12.895 -0.668 1.00 0.00 N ATOM 518 CA PHE A 37 3.207 -14.128 0.002 1.00 0.00 C ATOM 519 C PHE A 37 3.555 -14.076 1.487 1.00 0.00 C ATOM 520 O PHE A 37 4.445 -13.334 1.902 1.00 0.00 O ATOM 521 CB PHE A 37 3.889 -15.331 -0.651 1.00 0.00 C ATOM 522 CG PHE A 37 4.013 -15.213 -2.143 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.916 -14.873 -2.918 1.00 0.00 C ATOM 524 CD2 PHE A 37 5.227 -15.441 -2.771 1.00 0.00 C ATOM 525 CE1 PHE A 37 3.027 -14.763 -4.292 1.00 0.00 C ATOM 526 CE2 PHE A 37 5.344 -15.332 -4.144 1.00 0.00 C ATOM 527 CZ PHE A 37 4.242 -14.994 -4.905 1.00 0.00 C ATOM 0 H PHE A 37 4.101 -13.034 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 37 2.127 -14.234 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.883 -15.453 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.325 -16.232 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.963 -14.692 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.092 -15.707 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.164 -14.497 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.296 -15.511 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.331 -14.911 -5.978 1.00 0.00 H new ATOM 537 N ARG A 38 2.845 -14.870 2.283 1.00 0.00 N ATOM 538 CA ARG A 38 3.076 -14.914 3.721 1.00 0.00 C ATOM 539 C ARG A 38 4.518 -15.307 4.028 1.00 0.00 C ATOM 540 O ARG A 38 5.081 -16.190 3.382 1.00 0.00 O ATOM 541 CB ARG A 38 2.114 -15.903 4.384 1.00 0.00 C ATOM 542 CG ARG A 38 2.124 -15.837 5.902 1.00 0.00 C ATOM 543 CD ARG A 38 1.041 -16.718 6.505 1.00 0.00 C ATOM 544 NE ARG A 38 1.255 -16.951 7.931 1.00 0.00 N ATOM 545 CZ ARG A 38 2.270 -17.657 8.416 1.00 0.00 C ATOM 546 NH1 ARG A 38 3.160 -18.196 7.593 1.00 0.00 N ATOM 547 NH2 ARG A 38 2.398 -17.825 9.726 1.00 0.00 N ATOM 0 H ARG A 38 2.105 -15.491 1.955 1.00 0.00 H new ATOM 0 HA ARG A 38 2.896 -13.917 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.103 -15.708 4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.373 -16.914 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.099 -16.151 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.977 -14.806 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.068 -16.249 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.018 -17.674 5.981 1.00 0.00 H new ATOM 0 HE ARG A 38 0.588 -16.550 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.066 -18.069 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.939 -18.738 7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.716 -17.412 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.178 -18.368 10.097 1.00 0.00 H new ATOM 561 N GLU A 39 5.109 -14.645 5.018 1.00 0.00 N ATOM 562 CA GLU A 39 6.485 -14.925 5.409 1.00 0.00 C ATOM 563 C GLU A 39 7.447 -14.633 4.260 1.00 0.00 C ATOM 564 O GLU A 39 8.436 -15.340 4.071 1.00 0.00 O ATOM 565 CB GLU A 39 6.627 -16.383 5.850 1.00 0.00 C ATOM 566 CG GLU A 39 6.061 -16.658 7.233 1.00 0.00 C ATOM 567 CD GLU A 39 6.061 -18.134 7.580 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.092 -18.964 6.648 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.031 -18.459 8.786 1.00 0.00 O ATOM 0 H GLU A 39 4.656 -13.912 5.563 1.00 0.00 H new ATOM 0 HA GLU A 39 6.738 -14.274 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.123 -17.023 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.682 -16.657 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.645 -16.114 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.042 -16.276 7.287 1.00 0.00 H new ATOM 576 N ALA A 40 7.148 -13.588 3.497 1.00 0.00 N ATOM 577 CA ALA A 40 7.985 -13.202 2.368 1.00 0.00 C ATOM 578 C ALA A 40 8.399 -11.737 2.467 1.00 0.00 C ATOM 579 O ALA A 40 7.664 -10.908 3.006 1.00 0.00 O ATOM 580 CB ALA A 40 7.256 -13.459 1.058 1.00 0.00 C ATOM 0 H ALA A 40 6.332 -12.993 3.640 1.00 0.00 H new ATOM 0 HA ALA A 40 8.889 -13.810 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.893 -13.166 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.016 -14.519 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.335 -12.876 1.034 1.00 0.00 H new ATOM 586 N THR A 41 9.580 -11.424 1.944 1.00 0.00 N ATOM 587 CA THR A 41 10.092 -10.059 1.975 1.00 0.00 C ATOM 588 C THR A 41 9.648 -9.277 0.744 1.00 0.00 C ATOM 589 O THR A 41 10.205 -9.439 -0.342 1.00 0.00 O ATOM 590 CB THR A 41 11.630 -10.038 2.055 1.00 0.00 C ATOM 591 OG1 THR A 41 12.074 -10.836 3.158 1.00 0.00 O ATOM 592 CG2 THR A 41 12.144 -8.615 2.211 1.00 0.00 C ATOM 0 H THR A 41 10.200 -12.097 1.494 1.00 0.00 H new ATOM 0 HA THR A 41 9.682 -9.588 2.869 1.00 0.00 H new ATOM 0 HB THR A 41 12.026 -10.450 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.053 -10.819 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.233 -8.625 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.829 -8.018 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.739 -8.180 3.125 1.00 0.00 H new ATOM 600 N THR A 42 8.640 -8.428 0.920 1.00 0.00 N ATOM 601 CA THR A 42 8.121 -7.621 -0.177 1.00 0.00 C ATOM 602 C THR A 42 8.209 -6.133 0.146 1.00 0.00 C ATOM 603 O THR A 42 8.090 -5.731 1.303 1.00 0.00 O ATOM 604 CB THR A 42 6.657 -7.980 -0.494 1.00 0.00 C ATOM 605 OG1 THR A 42 6.251 -7.350 -1.714 1.00 0.00 O ATOM 606 CG2 THR A 42 5.736 -7.547 0.636 1.00 0.00 C ATOM 0 H THR A 42 8.167 -8.282 1.812 1.00 0.00 H new ATOM 0 HA THR A 42 8.738 -7.838 -1.049 1.00 0.00 H new ATOM 0 HB THR A 42 6.588 -9.062 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.552 -7.888 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.708 -7.811 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.029 -8.051 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.810 -6.468 0.773 1.00 0.00 H new ATOM 614 N ASP A 43 8.416 -5.321 -0.885 1.00 0.00 N ATOM 615 CA ASP A 43 8.518 -3.877 -0.711 1.00 0.00 C ATOM 616 C ASP A 43 8.037 -3.144 -1.960 1.00 0.00 C ATOM 617 O ASP A 43 8.005 -3.712 -3.051 1.00 0.00 O ATOM 618 CB ASP A 43 9.961 -3.480 -0.395 1.00 0.00 C ATOM 619 CG ASP A 43 10.923 -3.865 -1.503 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.661 -3.501 -2.669 1.00 0.00 O ATOM 621 OD2 ASP A 43 11.937 -4.529 -1.204 1.00 0.00 O ATOM 0 H ASP A 43 8.516 -5.638 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 43 7.880 -3.591 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.011 -2.403 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.271 -3.958 0.534 1.00 0.00 H new ATOM 626 N PHE A 44 7.664 -1.880 -1.791 1.00 0.00 N ATOM 627 CA PHE A 44 7.183 -1.069 -2.903 1.00 0.00 C ATOM 628 C PHE A 44 8.011 0.204 -3.047 1.00 0.00 C ATOM 629 O PHE A 44 8.888 0.485 -2.229 1.00 0.00 O ATOM 630 CB PHE A 44 5.709 -0.712 -2.702 1.00 0.00 C ATOM 631 CG PHE A 44 5.431 -0.028 -1.394 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.241 -0.766 -0.237 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.360 1.354 -1.322 1.00 0.00 C ATOM 634 CE1 PHE A 44 4.984 -0.139 0.967 1.00 0.00 C ATOM 635 CE2 PHE A 44 5.104 1.987 -0.120 1.00 0.00 C ATOM 636 CZ PHE A 44 4.917 1.240 1.026 1.00 0.00 C ATOM 0 H PHE A 44 7.686 -1.395 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 44 7.287 -1.654 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.386 -0.065 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.112 -1.622 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.294 -1.844 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.506 1.943 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.836 -0.726 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.050 3.065 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.719 1.732 1.967 1.00 0.00 H new ATOM 646 N THR A 45 7.727 0.973 -4.094 1.00 0.00 N ATOM 647 CA THR A 45 8.446 2.215 -4.347 1.00 0.00 C ATOM 648 C THR A 45 7.480 3.380 -4.534 1.00 0.00 C ATOM 649 O THR A 45 6.516 3.285 -5.293 1.00 0.00 O ATOM 650 CB THR A 45 9.343 2.102 -5.594 1.00 0.00 C ATOM 651 OG1 THR A 45 10.191 0.953 -5.483 1.00 0.00 O ATOM 652 CG2 THR A 45 10.193 3.352 -5.765 1.00 0.00 C ATOM 0 H THR A 45 7.004 0.757 -4.780 1.00 0.00 H new ATOM 0 HA THR A 45 9.072 2.401 -3.474 1.00 0.00 H new ATOM 0 HB THR A 45 8.701 1.997 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.758 0.886 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.818 3.249 -6.652 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.544 4.221 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.827 3.484 -4.888 1.00 0.00 H new ATOM 660 N VAL A 46 7.746 4.481 -3.838 1.00 0.00 N ATOM 661 CA VAL A 46 6.902 5.666 -3.929 1.00 0.00 C ATOM 662 C VAL A 46 7.581 6.764 -4.741 1.00 0.00 C ATOM 663 O VAL A 46 8.696 7.182 -4.428 1.00 0.00 O ATOM 664 CB VAL A 46 6.553 6.216 -2.533 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.724 7.486 -2.651 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.820 5.164 -1.715 1.00 0.00 C ATOM 0 H VAL A 46 8.540 4.577 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 46 5.984 5.362 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 46 7.480 6.464 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.487 7.860 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.290 8.241 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.800 7.269 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.581 5.569 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.899 4.883 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.454 4.285 -1.601 1.00 0.00 H new ATOM 676 N ASP A 47 6.901 7.227 -5.784 1.00 0.00 N ATOM 677 CA ASP A 47 7.437 8.278 -6.640 1.00 0.00 C ATOM 678 C ASP A 47 6.905 9.645 -6.221 1.00 0.00 C ATOM 679 O ASP A 47 5.699 9.888 -6.247 1.00 0.00 O ATOM 680 CB ASP A 47 7.081 8.005 -8.103 1.00 0.00 C ATOM 681 CG ASP A 47 7.232 9.236 -8.975 1.00 0.00 C ATOM 682 OD1 ASP A 47 8.360 9.498 -9.442 1.00 0.00 O ATOM 683 OD2 ASP A 47 6.221 9.937 -9.191 1.00 0.00 O ATOM 0 H ASP A 47 5.977 6.891 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 47 8.522 8.282 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.721 7.210 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.054 7.645 -8.163 1.00 0.00 H new ATOM 688 N SER A 48 7.814 10.534 -5.833 1.00 0.00 N ATOM 689 CA SER A 48 7.436 11.875 -5.404 1.00 0.00 C ATOM 690 C SER A 48 8.302 12.929 -6.087 1.00 0.00 C ATOM 691 O SER A 48 9.531 12.852 -6.060 1.00 0.00 O ATOM 692 CB SER A 48 7.564 12.002 -3.884 1.00 0.00 C ATOM 693 OG SER A 48 6.968 10.896 -3.229 1.00 0.00 O ATOM 0 H SER A 48 8.817 10.350 -5.807 1.00 0.00 H new ATOM 0 HA SER A 48 6.398 12.042 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.617 12.068 -3.609 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.089 12.925 -3.552 1.00 0.00 H new ATOM 0 HG SER A 48 6.775 11.132 -2.298 1.00 0.00 H new ATOM 699 N ARG A 49 7.652 13.913 -6.701 1.00 0.00 N ATOM 700 CA ARG A 49 8.362 14.982 -7.393 1.00 0.00 C ATOM 701 C ARG A 49 8.225 16.302 -6.640 1.00 0.00 C ATOM 702 O ARG A 49 9.175 16.801 -6.036 1.00 0.00 O ATOM 703 CB ARG A 49 7.827 15.138 -8.818 1.00 0.00 C ATOM 704 CG ARG A 49 8.653 14.405 -9.862 1.00 0.00 C ATOM 705 CD ARG A 49 7.903 14.281 -11.179 1.00 0.00 C ATOM 706 NE ARG A 49 8.677 13.557 -12.184 1.00 0.00 N ATOM 707 CZ ARG A 49 8.496 13.697 -13.492 1.00 0.00 C ATOM 708 NH1 ARG A 49 7.572 14.529 -13.952 1.00 0.00 N ATOM 709 NH2 ARG A 49 9.240 13.003 -14.344 1.00 0.00 N ATOM 0 H ARG A 49 6.636 13.992 -6.733 1.00 0.00 H new ATOM 0 HA ARG A 49 9.418 14.715 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.802 14.770 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.795 16.198 -9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.591 14.937 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.909 13.412 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.957 13.767 -11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.662 15.276 -11.554 1.00 0.00 H new ATOM 0 HE ARG A 49 9.396 12.908 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.998 15.064 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.436 14.634 -14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.952 12.361 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.100 13.111 -15.349 1.00 0.00 H new ATOM 723 N PRO A 50 7.016 16.882 -6.675 1.00 0.00 N ATOM 724 CA PRO A 50 6.727 18.151 -6.001 1.00 0.00 C ATOM 725 C PRO A 50 6.725 18.013 -4.482 1.00 0.00 C ATOM 726 O PRO A 50 6.243 18.895 -3.770 1.00 0.00 O ATOM 727 CB PRO A 50 5.328 18.511 -6.508 1.00 0.00 C ATOM 728 CG PRO A 50 4.712 17.206 -6.878 1.00 0.00 C ATOM 729 CD PRO A 50 5.839 16.343 -7.376 1.00 0.00 C ATOM 0 HA PRO A 50 7.481 18.908 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.747 19.019 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.378 19.182 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.220 16.749 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.952 17.338 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.676 15.292 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.950 16.411 -8.458 1.00 0.00 H new ATOM 737 N LEU A 51 7.266 16.903 -3.993 1.00 0.00 N ATOM 738 CA LEU A 51 7.327 16.651 -2.557 1.00 0.00 C ATOM 739 C LEU A 51 8.772 16.512 -2.090 1.00 0.00 C ATOM 740 O LEU A 51 9.173 17.111 -1.091 1.00 0.00 O ATOM 741 CB LEU A 51 6.542 15.384 -2.209 1.00 0.00 C ATOM 742 CG LEU A 51 5.203 15.206 -2.924 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.478 13.976 -2.402 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.339 16.448 -2.755 1.00 0.00 C ATOM 0 H LEU A 51 7.669 16.163 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 51 6.879 17.502 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.168 14.520 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.361 15.377 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 51 5.397 15.064 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.527 13.866 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.091 13.092 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.295 14.087 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.390 16.304 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.154 16.621 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.854 17.310 -3.179 1.00 0.00 H new ATOM 756 N THR A 52 9.551 15.719 -2.819 1.00 0.00 N ATOM 757 CA THR A 52 10.952 15.503 -2.480 1.00 0.00 C ATOM 758 C THR A 52 11.849 15.698 -3.697 1.00 0.00 C ATOM 759 O THR A 52 11.371 15.733 -4.831 1.00 0.00 O ATOM 760 CB THR A 52 11.180 14.091 -1.909 1.00 0.00 C ATOM 761 OG1 THR A 52 12.475 14.010 -1.304 1.00 0.00 O ATOM 762 CG2 THR A 52 11.059 13.039 -3.002 1.00 0.00 C ATOM 0 H THR A 52 9.235 15.216 -3.648 1.00 0.00 H new ATOM 0 HA THR A 52 11.211 16.240 -1.720 1.00 0.00 H new ATOM 0 HB THR A 52 10.415 13.900 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.880 13.142 -1.513 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.224 12.050 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.062 13.083 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.804 13.229 -3.774 1.00 0.00 H new ATOM 770 N GLN A 53 13.150 15.823 -3.454 1.00 0.00 N ATOM 771 CA GLN A 53 14.113 16.014 -4.532 1.00 0.00 C ATOM 772 C GLN A 53 15.305 15.077 -4.370 1.00 0.00 C ATOM 773 O GLN A 53 15.786 14.493 -5.341 1.00 0.00 O ATOM 774 CB GLN A 53 14.591 17.466 -4.566 1.00 0.00 C ATOM 775 CG GLN A 53 13.461 18.476 -4.686 1.00 0.00 C ATOM 776 CD GLN A 53 12.794 18.445 -6.047 1.00 0.00 C ATOM 777 OE1 GLN A 53 11.563 17.950 -6.092 1.00 0.00 O flip ATOM 778 NE2 GLN A 53 13.378 18.862 -7.048 1.00 0.00 N flip ATOM 0 H GLN A 53 13.561 15.795 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 53 13.617 15.780 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.158 17.674 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.274 17.595 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.716 18.276 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.851 19.476 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.324 19.234 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.915 18.835 -7.957 1.00 0.00 H new ATOM 787 N VAL A 54 15.778 14.937 -3.135 1.00 0.00 N ATOM 788 CA VAL A 54 16.913 14.071 -2.845 1.00 0.00 C ATOM 789 C VAL A 54 16.618 13.155 -1.662 1.00 0.00 C ATOM 790 O VAL A 54 17.476 12.928 -0.810 1.00 0.00 O ATOM 791 CB VAL A 54 18.182 14.890 -2.541 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.516 15.808 -3.707 1.00 0.00 C ATOM 793 CG2 VAL A 54 18.005 15.688 -1.258 1.00 0.00 C ATOM 0 H VAL A 54 15.392 15.413 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 54 17.084 13.466 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 54 19.015 14.201 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.415 16.379 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.687 15.211 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.686 16.493 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.911 16.261 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.161 16.369 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.816 15.006 -0.429 1.00 0.00 H new ATOM 803 N GLY A 55 15.397 12.632 -1.616 1.00 0.00 N ATOM 804 CA GLY A 55 15.009 11.746 -0.533 1.00 0.00 C ATOM 805 C GLY A 55 14.460 12.498 0.662 1.00 0.00 C ATOM 806 O GLY A 55 14.716 13.690 0.826 1.00 0.00 O ATOM 0 H GLY A 55 14.669 12.806 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.257 11.044 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.872 11.157 -0.223 1.00 0.00 H new ATOM 810 N GLY A 56 13.699 11.800 1.500 1.00 0.00 N ATOM 811 CA GLY A 56 13.122 12.427 2.675 1.00 0.00 C ATOM 812 C GLY A 56 12.765 11.421 3.752 1.00 0.00 C ATOM 813 O GLY A 56 12.828 10.213 3.528 1.00 0.00 O ATOM 0 H GLY A 56 13.472 10.812 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.828 13.153 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.227 12.979 2.386 1.00 0.00 H new ATOM 817 N ASP A 57 12.392 11.921 4.925 1.00 0.00 N ATOM 818 CA ASP A 57 12.025 11.058 6.042 1.00 0.00 C ATOM 819 C ASP A 57 10.663 11.449 6.606 1.00 0.00 C ATOM 820 O ASP A 57 10.463 11.463 7.822 1.00 0.00 O ATOM 821 CB ASP A 57 13.086 11.131 7.141 1.00 0.00 C ATOM 822 CG ASP A 57 13.085 9.902 8.029 1.00 0.00 C ATOM 823 OD1 ASP A 57 12.758 8.807 7.527 1.00 0.00 O ATOM 824 OD2 ASP A 57 13.410 10.036 9.228 1.00 0.00 O ATOM 0 H ASP A 57 12.336 12.919 5.127 1.00 0.00 H new ATOM 0 HA ASP A 57 11.965 10.034 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.070 11.246 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.912 12.017 7.752 1.00 0.00 H new ATOM 829 N HIS A 58 9.729 11.768 5.716 1.00 0.00 N ATOM 830 CA HIS A 58 8.385 12.161 6.126 1.00 0.00 C ATOM 831 C HIS A 58 7.353 11.143 5.649 1.00 0.00 C ATOM 832 O HIS A 58 6.206 11.493 5.370 1.00 0.00 O ATOM 833 CB HIS A 58 8.045 13.546 5.574 1.00 0.00 C ATOM 834 CG HIS A 58 8.436 14.667 6.487 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.561 15.657 6.882 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.617 14.950 7.086 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.187 16.501 7.682 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.436 16.095 7.822 1.00 0.00 N ATOM 0 H HIS A 58 9.878 11.762 4.707 1.00 0.00 H new ATOM 0 HA HIS A 58 8.359 12.196 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.545 13.679 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.973 13.600 5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.531 14.381 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.751 17.375 8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.150 16.557 8.385 1.00 0.00 H new ATOM 846 N ILE A 59 7.768 9.884 5.559 1.00 0.00 N ATOM 847 CA ILE A 59 6.880 8.817 5.117 1.00 0.00 C ATOM 848 C ILE A 59 6.581 7.844 6.252 1.00 0.00 C ATOM 849 O ILE A 59 7.472 7.473 7.017 1.00 0.00 O ATOM 850 CB ILE A 59 7.482 8.037 3.933 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.830 8.992 2.789 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.514 6.964 3.458 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.621 9.652 2.164 1.00 0.00 C ATOM 0 H ILE A 59 8.714 9.578 5.787 1.00 0.00 H new ATOM 0 HA ILE A 59 5.953 9.292 4.795 1.00 0.00 H new ATOM 0 HB ILE A 59 8.398 7.550 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.503 9.764 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.372 8.442 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.954 6.422 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.311 6.270 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.582 7.430 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.943 10.315 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.957 8.888 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.090 10.230 2.921 1.00 0.00 H new ATOM 865 N LYS A 60 5.322 7.433 6.356 1.00 0.00 N ATOM 866 CA LYS A 60 4.905 6.500 7.396 1.00 0.00 C ATOM 867 C LYS A 60 3.827 5.554 6.877 1.00 0.00 C ATOM 868 O LYS A 60 2.864 5.983 6.242 1.00 0.00 O ATOM 869 CB LYS A 60 4.383 7.264 8.616 1.00 0.00 C ATOM 870 CG LYS A 60 3.937 6.362 9.753 1.00 0.00 C ATOM 871 CD LYS A 60 5.078 6.066 10.711 1.00 0.00 C ATOM 872 CE LYS A 60 4.871 4.743 11.433 1.00 0.00 C ATOM 873 NZ LYS A 60 5.848 4.557 12.541 1.00 0.00 N ATOM 0 H LYS A 60 4.572 7.732 5.732 1.00 0.00 H new ATOM 0 HA LYS A 60 5.773 5.909 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.165 7.931 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.545 7.891 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.119 6.836 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.550 5.427 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.018 6.038 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.160 6.871 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.857 4.702 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.968 3.922 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.674 3.644 13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.815 4.571 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.739 5.326 13.233 1.00 0.00 H new ATOM 887 N ALA A 61 3.995 4.265 7.154 1.00 0.00 N ATOM 888 CA ALA A 61 3.035 3.258 6.718 1.00 0.00 C ATOM 889 C ALA A 61 2.602 2.373 7.881 1.00 0.00 C ATOM 890 O ALA A 61 3.370 2.135 8.814 1.00 0.00 O ATOM 891 CB ALA A 61 3.628 2.412 5.600 1.00 0.00 C ATOM 0 H ALA A 61 4.787 3.893 7.678 1.00 0.00 H new ATOM 0 HA ALA A 61 2.152 3.773 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.900 1.664 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.881 3.052 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.528 1.913 5.959 1.00 0.00 H new ATOM 897 N HIS A 62 1.366 1.887 7.820 1.00 0.00 N ATOM 898 CA HIS A 62 0.830 1.027 8.870 1.00 0.00 C ATOM 899 C HIS A 62 -0.054 -0.066 8.278 1.00 0.00 C ATOM 900 O HIS A 62 -1.185 0.193 7.865 1.00 0.00 O ATOM 901 CB HIS A 62 0.033 1.854 9.879 1.00 0.00 C ATOM 902 CG HIS A 62 -0.467 1.057 11.044 1.00 0.00 C ATOM 903 ND1 HIS A 62 -1.006 -0.183 11.103 1.00 0.00 N flip ATOM 904 CD2 HIS A 62 -0.447 1.526 12.341 1.00 0.00 C flip ATOM 905 CE1 HIS A 62 -1.297 -0.439 12.420 1.00 0.00 C flip ATOM 906 NE2 HIS A 62 -0.949 0.608 13.147 1.00 0.00 N flip ATOM 0 H HIS A 62 0.717 2.074 7.055 1.00 0.00 H new ATOM 0 HA HIS A 62 1.668 0.554 9.382 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.660 2.666 10.247 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.816 2.312 9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.078 2.493 12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.739 -1.348 12.800 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.051 0.693 14.158 1.00 0.00 H new ATOM 914 N ILE A 63 0.468 -1.287 8.239 1.00 0.00 N ATOM 915 CA ILE A 63 -0.275 -2.419 7.698 1.00 0.00 C ATOM 916 C ILE A 63 -1.261 -2.970 8.723 1.00 0.00 C ATOM 917 O ILE A 63 -0.958 -3.042 9.914 1.00 0.00 O ATOM 918 CB ILE A 63 0.669 -3.550 7.251 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.619 -3.049 6.161 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.132 -4.744 6.755 1.00 0.00 C ATOM 921 CD1 ILE A 63 2.961 -3.748 6.162 1.00 0.00 C ATOM 0 H ILE A 63 1.403 -1.518 8.576 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.824 -2.051 6.831 1.00 0.00 H new ATOM 0 HB ILE A 63 1.263 -3.867 8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.147 -3.186 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.776 -1.978 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.550 -5.535 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.771 -5.112 7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.749 -4.442 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.583 -3.343 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.453 -3.589 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.815 -4.816 6.001 1.00 0.00 H new ATOM 933 N ALA A 64 -2.440 -3.359 8.251 1.00 0.00 N ATOM 934 CA ALA A 64 -3.469 -3.908 9.126 1.00 0.00 C ATOM 935 C ALA A 64 -4.030 -5.210 8.564 1.00 0.00 C ATOM 936 O ALA A 64 -4.842 -5.200 7.640 1.00 0.00 O ATOM 937 CB ALA A 64 -4.586 -2.894 9.327 1.00 0.00 C ATOM 0 H ALA A 64 -2.707 -3.304 7.268 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.012 -4.126 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.348 -3.317 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.179 -1.990 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.032 -2.648 8.363 1.00 0.00 H new ATOM 943 N ASN A 65 -3.589 -6.330 9.128 1.00 0.00 N ATOM 944 CA ASN A 65 -4.046 -7.642 8.683 1.00 0.00 C ATOM 945 C ASN A 65 -5.555 -7.782 8.862 1.00 0.00 C ATOM 946 O ASN A 65 -6.170 -7.121 9.699 1.00 0.00 O ATOM 947 CB ASN A 65 -3.325 -8.747 9.457 1.00 0.00 C ATOM 948 CG ASN A 65 -1.917 -8.987 8.945 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.592 -8.647 7.807 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.075 -9.576 9.785 1.00 0.00 N ATOM 0 H ASN A 65 -2.916 -6.355 9.894 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.813 -7.739 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.284 -8.480 10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.898 -9.671 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.115 -9.764 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.388 -9.841 10.719 1.00 0.00 H new ATOM 957 N PRO A 66 -6.167 -8.663 8.057 1.00 0.00 N ATOM 958 CA PRO A 66 -7.611 -8.912 8.108 1.00 0.00 C ATOM 959 C PRO A 66 -8.029 -9.637 9.383 1.00 0.00 C ATOM 960 O PRO A 66 -9.208 -9.928 9.584 1.00 0.00 O ATOM 961 CB PRO A 66 -7.862 -9.796 6.884 1.00 0.00 C ATOM 962 CG PRO A 66 -6.558 -10.470 6.629 1.00 0.00 C ATOM 963 CD PRO A 66 -5.497 -9.485 7.036 1.00 0.00 C ATOM 0 HA PRO A 66 -8.185 -7.985 8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.652 -10.522 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.176 -9.203 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.476 -11.392 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.457 -10.740 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.617 -9.986 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.163 -8.883 6.191 1.00 0.00 H new ATOM 971 N SER A 67 -7.056 -9.925 10.241 1.00 0.00 N ATOM 972 CA SER A 67 -7.323 -10.619 11.496 1.00 0.00 C ATOM 973 C SER A 67 -7.218 -9.661 12.679 1.00 0.00 C ATOM 974 O SER A 67 -7.848 -9.866 13.716 1.00 0.00 O ATOM 975 CB SER A 67 -6.347 -11.782 11.678 1.00 0.00 C ATOM 976 OG SER A 67 -6.763 -12.918 10.939 1.00 0.00 O ATOM 0 H SER A 67 -6.075 -9.689 10.090 1.00 0.00 H new ATOM 0 HA SER A 67 -8.339 -11.011 11.457 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.351 -11.479 11.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.275 -12.038 12.735 1.00 0.00 H new ATOM 0 HG SER A 67 -6.121 -13.647 11.071 1.00 0.00 H new ATOM 982 N GLY A 68 -6.415 -8.614 12.516 1.00 0.00 N ATOM 983 CA GLY A 68 -6.240 -7.641 13.578 1.00 0.00 C ATOM 984 C GLY A 68 -4.782 -7.312 13.829 1.00 0.00 C ATOM 985 O GLY A 68 -4.456 -6.221 14.296 1.00 0.00 O ATOM 0 H GLY A 68 -5.883 -8.422 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.776 -6.727 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.686 -8.025 14.496 1.00 0.00 H new ATOM 989 N ALA A 69 -3.902 -8.259 13.520 1.00 0.00 N ATOM 990 CA ALA A 69 -2.470 -8.064 13.715 1.00 0.00 C ATOM 991 C ALA A 69 -1.936 -6.967 12.800 1.00 0.00 C ATOM 992 O ALA A 69 -2.637 -6.496 11.905 1.00 0.00 O ATOM 993 CB ALA A 69 -1.723 -9.367 13.472 1.00 0.00 C ATOM 0 H ALA A 69 -4.155 -9.168 13.134 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.307 -7.751 14.746 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.655 -9.207 13.621 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.077 -10.125 14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.901 -9.703 12.450 1.00 0.00 H new ATOM 999 N SER A 70 -0.690 -6.565 13.031 1.00 0.00 N ATOM 1000 CA SER A 70 -0.064 -5.520 12.231 1.00 0.00 C ATOM 1001 C SER A 70 1.353 -5.918 11.830 1.00 0.00 C ATOM 1002 O SER A 70 2.144 -6.366 12.662 1.00 0.00 O ATOM 1003 CB SER A 70 -0.035 -4.202 13.007 1.00 0.00 C ATOM 1004 OG SER A 70 0.943 -4.235 14.032 1.00 0.00 O ATOM 0 H SER A 70 -0.095 -6.947 13.766 1.00 0.00 H new ATOM 0 HA SER A 70 -0.656 -5.387 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.177 -3.379 12.324 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.016 -4.011 13.442 1.00 0.00 H new ATOM 0 HG SER A 70 0.943 -3.381 14.512 1.00 0.00 H new ATOM 1010 N THR A 71 1.669 -5.753 10.549 1.00 0.00 N ATOM 1011 CA THR A 71 2.989 -6.096 10.037 1.00 0.00 C ATOM 1012 C THR A 71 3.937 -4.904 10.117 1.00 0.00 C ATOM 1013 O THR A 71 3.642 -3.830 9.596 1.00 0.00 O ATOM 1014 CB THR A 71 2.916 -6.582 8.577 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.955 -7.636 8.459 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.275 -7.072 8.101 1.00 0.00 C ATOM 0 H THR A 71 1.028 -5.384 9.847 1.00 0.00 H new ATOM 0 HA THR A 71 3.371 -6.903 10.663 1.00 0.00 H new ATOM 0 HB THR A 71 2.611 -5.742 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.677 -7.722 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.198 -7.410 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.998 -6.258 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.604 -7.899 8.730 1.00 0.00 H new ATOM 1024 N GLU A 72 5.076 -5.103 10.773 1.00 0.00 N ATOM 1025 CA GLU A 72 6.066 -4.043 10.921 1.00 0.00 C ATOM 1026 C GLU A 72 6.499 -3.509 9.558 1.00 0.00 C ATOM 1027 O GLU A 72 6.813 -4.279 8.649 1.00 0.00 O ATOM 1028 CB GLU A 72 7.285 -4.558 11.690 1.00 0.00 C ATOM 1029 CG GLU A 72 8.118 -3.453 12.319 1.00 0.00 C ATOM 1030 CD GLU A 72 9.078 -3.974 13.371 1.00 0.00 C ATOM 1031 OE1 GLU A 72 9.464 -5.159 13.288 1.00 0.00 O ATOM 1032 OE2 GLU A 72 9.442 -3.196 14.278 1.00 0.00 O ATOM 0 H GLU A 72 5.336 -5.987 11.210 1.00 0.00 H new ATOM 0 HA GLU A 72 5.608 -3.228 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.950 -5.239 12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.914 -5.135 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.682 -2.940 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.455 -2.715 12.771 1.00 0.00 H new ATOM 1039 N CYS A 73 6.513 -2.188 9.425 1.00 0.00 N ATOM 1040 CA CYS A 73 6.906 -1.550 8.173 1.00 0.00 C ATOM 1041 C CYS A 73 8.334 -1.021 8.258 1.00 0.00 C ATOM 1042 O CYS A 73 8.749 -0.486 9.286 1.00 0.00 O ATOM 1043 CB CYS A 73 5.946 -0.409 7.835 1.00 0.00 C ATOM 1044 SG CYS A 73 5.869 0.889 9.091 1.00 0.00 S ATOM 0 H CYS A 73 6.257 -1.538 10.168 1.00 0.00 H new ATOM 0 HA CYS A 73 6.861 -2.299 7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.247 0.036 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.947 -0.820 7.691 1.00 0.00 H new ATOM 0 HG CYS A 73 4.646 1.318 9.197 1.00 0.00 H new ATOM 1050 N PHE A 74 9.082 -1.175 7.170 1.00 0.00 N ATOM 1051 CA PHE A 74 10.465 -0.715 7.121 1.00 0.00 C ATOM 1052 C PHE A 74 10.672 0.265 5.970 1.00 0.00 C ATOM 1053 O PHE A 74 10.844 -0.139 4.820 1.00 0.00 O ATOM 1054 CB PHE A 74 11.415 -1.904 6.972 1.00 0.00 C ATOM 1055 CG PHE A 74 11.432 -2.813 8.168 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.358 -3.646 8.437 1.00 0.00 C ATOM 1057 CD2 PHE A 74 12.522 -2.833 9.023 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.370 -4.483 9.537 1.00 0.00 C ATOM 1059 CE2 PHE A 74 12.540 -3.668 10.124 1.00 0.00 C ATOM 1060 CZ PHE A 74 11.462 -4.493 10.382 1.00 0.00 C ATOM 0 H PHE A 74 8.753 -1.615 6.310 1.00 0.00 H new ATOM 0 HA PHE A 74 10.684 -0.200 8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.128 -2.480 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.424 -1.532 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.501 -3.641 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 74 13.367 -2.189 8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.527 -5.128 9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.396 -3.676 10.782 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.474 -5.145 11.243 1.00 0.00 H new ATOM 1070 N VAL A 75 10.654 1.555 6.288 1.00 0.00 N ATOM 1071 CA VAL A 75 10.841 2.593 5.281 1.00 0.00 C ATOM 1072 C VAL A 75 12.311 2.739 4.908 1.00 0.00 C ATOM 1073 O VAL A 75 13.180 2.822 5.777 1.00 0.00 O ATOM 1074 CB VAL A 75 10.310 3.953 5.772 1.00 0.00 C ATOM 1075 CG1 VAL A 75 10.550 5.030 4.725 1.00 0.00 C ATOM 1076 CG2 VAL A 75 8.831 3.854 6.117 1.00 0.00 C ATOM 0 H VAL A 75 10.512 1.907 7.235 1.00 0.00 H new ATOM 0 HA VAL A 75 10.275 2.286 4.401 1.00 0.00 H new ATOM 0 HB VAL A 75 10.853 4.231 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.168 5.984 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.619 5.117 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.035 4.762 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.472 4.824 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.270 3.554 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.690 3.114 6.904 1.00 0.00 H new ATOM 1086 N THR A 76 12.586 2.770 3.607 1.00 0.00 N ATOM 1087 CA THR A 76 13.952 2.905 3.118 1.00 0.00 C ATOM 1088 C THR A 76 14.031 3.918 1.981 1.00 0.00 C ATOM 1089 O THR A 76 13.578 3.652 0.868 1.00 0.00 O ATOM 1090 CB THR A 76 14.509 1.556 2.628 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.471 0.595 3.689 1.00 0.00 O ATOM 1092 CG2 THR A 76 15.938 1.709 2.127 1.00 0.00 C ATOM 0 H THR A 76 11.880 2.703 2.874 1.00 0.00 H new ATOM 0 HA THR A 76 14.555 3.255 3.956 1.00 0.00 H new ATOM 0 HB THR A 76 13.887 1.210 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.826 -0.260 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.310 0.743 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.960 2.418 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.570 2.076 2.936 1.00 0.00 H new ATOM 1100 N ASP A 77 14.610 5.079 2.269 1.00 0.00 N ATOM 1101 CA ASP A 77 14.750 6.131 1.269 1.00 0.00 C ATOM 1102 C ASP A 77 16.026 5.941 0.454 1.00 0.00 C ATOM 1103 O ASP A 77 17.112 5.786 1.011 1.00 0.00 O ATOM 1104 CB ASP A 77 14.760 7.505 1.942 1.00 0.00 C ATOM 1105 CG ASP A 77 15.242 8.601 1.012 1.00 0.00 C ATOM 1106 OD1 ASP A 77 14.668 8.741 -0.088 1.00 0.00 O ATOM 1107 OD2 ASP A 77 16.192 9.320 1.385 1.00 0.00 O ATOM 0 H ASP A 77 14.990 5.315 3.186 1.00 0.00 H new ATOM 0 HA ASP A 77 13.897 6.071 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.755 7.743 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.402 7.471 2.822 1.00 0.00 H new ATOM 1112 N ASN A 78 15.885 5.952 -0.867 1.00 0.00 N ATOM 1113 CA ASN A 78 17.026 5.778 -1.759 1.00 0.00 C ATOM 1114 C ASN A 78 17.770 7.096 -1.953 1.00 0.00 C ATOM 1115 O ASN A 78 18.549 7.248 -2.893 1.00 0.00 O ATOM 1116 CB ASN A 78 16.564 5.237 -3.113 1.00 0.00 C ATOM 1117 CG ASN A 78 15.957 3.851 -3.005 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.672 2.853 -2.916 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.631 3.785 -3.012 1.00 0.00 N ATOM 0 H ASN A 78 14.992 6.080 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 78 17.707 5.060 -1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.831 5.919 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.412 5.207 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.165 2.880 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.078 4.639 -3.088 1.00 0.00 H new ATOM 1126 N ALA A 79 17.525 8.045 -1.055 1.00 0.00 N ATOM 1127 CA ALA A 79 18.173 9.349 -1.126 1.00 0.00 C ATOM 1128 C ALA A 79 18.256 9.844 -2.566 1.00 0.00 C ATOM 1129 O ALA A 79 19.215 10.515 -2.947 1.00 0.00 O ATOM 1130 CB ALA A 79 19.562 9.282 -0.508 1.00 0.00 C ATOM 0 H ALA A 79 16.883 7.935 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 79 17.569 10.058 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 20.035 10.262 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.481 8.981 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.166 8.554 -1.050 1.00 0.00 H new ATOM 1136 N ASP A 80 17.247 9.507 -3.361 1.00 0.00 N ATOM 1137 CA ASP A 80 17.206 9.917 -4.760 1.00 0.00 C ATOM 1138 C ASP A 80 15.934 10.705 -5.058 1.00 0.00 C ATOM 1139 O ASP A 80 15.928 11.594 -5.909 1.00 0.00 O ATOM 1140 CB ASP A 80 17.290 8.695 -5.675 1.00 0.00 C ATOM 1141 CG ASP A 80 15.973 7.949 -5.766 1.00 0.00 C ATOM 1142 OD1 ASP A 80 15.317 7.774 -4.719 1.00 0.00 O ATOM 1143 OD2 ASP A 80 15.600 7.539 -6.886 1.00 0.00 O ATOM 0 H ASP A 80 16.446 8.951 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 80 18.064 10.562 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.595 9.012 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 80 18.062 8.020 -5.305 1.00 0.00 H new ATOM 1148 N GLY A 81 14.858 10.372 -4.352 1.00 0.00 N ATOM 1149 CA GLY A 81 13.595 11.057 -4.556 1.00 0.00 C ATOM 1150 C GLY A 81 12.401 10.150 -4.333 1.00 0.00 C ATOM 1151 O GLY A 81 11.260 10.611 -4.294 1.00 0.00 O ATOM 0 H GLY A 81 14.838 9.640 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.533 11.908 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.561 11.455 -5.570 1.00 0.00 H new ATOM 1155 N THR A 82 12.663 8.855 -4.188 1.00 0.00 N ATOM 1156 CA THR A 82 11.601 7.880 -3.971 1.00 0.00 C ATOM 1157 C THR A 82 11.776 7.164 -2.637 1.00 0.00 C ATOM 1158 O THR A 82 12.844 7.221 -2.026 1.00 0.00 O ATOM 1159 CB THR A 82 11.559 6.834 -5.101 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.819 6.161 -5.192 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.230 7.490 -6.433 1.00 0.00 C ATOM 0 H THR A 82 13.602 8.457 -4.217 1.00 0.00 H new ATOM 0 HA THR A 82 10.662 8.433 -3.963 1.00 0.00 H new ATOM 0 HB THR A 82 10.778 6.110 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.544 6.819 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.206 6.732 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.257 7.976 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.991 8.233 -6.671 1.00 0.00 H new ATOM 1169 N TYR A 83 10.723 6.489 -2.190 1.00 0.00 N ATOM 1170 CA TYR A 83 10.761 5.762 -0.927 1.00 0.00 C ATOM 1171 C TYR A 83 10.530 4.271 -1.149 1.00 0.00 C ATOM 1172 O TYR A 83 9.706 3.876 -1.973 1.00 0.00 O ATOM 1173 CB TYR A 83 9.707 6.315 0.035 1.00 0.00 C ATOM 1174 CG TYR A 83 9.747 7.820 0.177 1.00 0.00 C ATOM 1175 CD1 TYR A 83 10.571 8.427 1.116 1.00 0.00 C ATOM 1176 CD2 TYR A 83 8.960 8.633 -0.629 1.00 0.00 C ATOM 1177 CE1 TYR A 83 10.609 9.802 1.249 1.00 0.00 C ATOM 1178 CE2 TYR A 83 8.993 10.009 -0.504 1.00 0.00 C ATOM 1179 CZ TYR A 83 9.819 10.588 0.437 1.00 0.00 C ATOM 1180 OH TYR A 83 9.855 11.958 0.566 1.00 0.00 O ATOM 0 H TYR A 83 9.832 6.430 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 83 11.750 5.896 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.718 6.017 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.849 5.862 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.192 7.814 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.312 8.182 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.254 10.259 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.376 10.627 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 83 8.941 12.303 0.647 1.00 0.00 H new ATOM 1190 N GLN A 84 11.265 3.448 -0.407 1.00 0.00 N ATOM 1191 CA GLN A 84 11.141 2.000 -0.523 1.00 0.00 C ATOM 1192 C GLN A 84 10.809 1.372 0.827 1.00 0.00 C ATOM 1193 O GLN A 84 11.664 1.279 1.707 1.00 0.00 O ATOM 1194 CB GLN A 84 12.435 1.398 -1.073 1.00 0.00 C ATOM 1195 CG GLN A 84 12.339 -0.090 -1.365 1.00 0.00 C ATOM 1196 CD GLN A 84 11.880 -0.379 -2.781 1.00 0.00 C ATOM 1197 OE1 GLN A 84 10.746 -1.058 -2.909 1.00 0.00 O flip ATOM 1198 NE2 GLN A 84 12.538 0.004 -3.749 1.00 0.00 N flip ATOM 0 H GLN A 84 11.952 3.759 0.280 1.00 0.00 H new ATOM 0 HA GLN A 84 10.326 1.785 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.709 1.922 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.238 1.568 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.313 -0.552 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.645 -0.550 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.404 0.523 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.217 -0.198 -4.696 1.00 0.00 H new ATOM 1207 N VAL A 85 9.560 0.944 0.984 1.00 0.00 N ATOM 1208 CA VAL A 85 9.114 0.325 2.226 1.00 0.00 C ATOM 1209 C VAL A 85 9.046 -1.192 2.090 1.00 0.00 C ATOM 1210 O VAL A 85 8.438 -1.715 1.157 1.00 0.00 O ATOM 1211 CB VAL A 85 7.732 0.853 2.652 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.273 0.174 3.934 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.770 2.364 2.824 1.00 0.00 C ATOM 0 H VAL A 85 8.839 1.015 0.266 1.00 0.00 H new ATOM 0 HA VAL A 85 9.846 0.587 2.990 1.00 0.00 H new ATOM 0 HB VAL A 85 7.014 0.617 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.294 0.560 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.206 -0.902 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.990 0.377 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.785 2.721 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.500 2.625 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.052 2.831 1.880 1.00 0.00 H new ATOM 1223 N GLU A 86 9.675 -1.894 3.028 1.00 0.00 N ATOM 1224 CA GLU A 86 9.686 -3.352 3.013 1.00 0.00 C ATOM 1225 C GLU A 86 9.001 -3.915 4.255 1.00 0.00 C ATOM 1226 O GLU A 86 9.215 -3.432 5.367 1.00 0.00 O ATOM 1227 CB GLU A 86 11.122 -3.873 2.929 1.00 0.00 C ATOM 1228 CG GLU A 86 11.217 -5.388 2.865 1.00 0.00 C ATOM 1229 CD GLU A 86 12.590 -5.903 3.251 1.00 0.00 C ATOM 1230 OE1 GLU A 86 12.893 -5.933 4.463 1.00 0.00 O ATOM 1231 OE2 GLU A 86 13.362 -6.275 2.343 1.00 0.00 O ATOM 0 H GLU A 86 10.183 -1.476 3.807 1.00 0.00 H new ATOM 0 HA GLU A 86 9.135 -3.684 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.602 -3.450 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.679 -3.519 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.470 -5.824 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.979 -5.721 1.855 1.00 0.00 H new ATOM 1238 N TYR A 87 8.176 -4.937 4.056 1.00 0.00 N ATOM 1239 CA TYR A 87 7.456 -5.564 5.159 1.00 0.00 C ATOM 1240 C TYR A 87 7.174 -7.033 4.860 1.00 0.00 C ATOM 1241 O TYR A 87 6.980 -7.419 3.706 1.00 0.00 O ATOM 1242 CB TYR A 87 6.144 -4.824 5.425 1.00 0.00 C ATOM 1243 CG TYR A 87 5.077 -5.092 4.387 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.260 -6.212 4.474 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.886 -4.223 3.319 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.285 -6.460 3.528 1.00 0.00 C ATOM 1247 CE2 TYR A 87 3.913 -4.463 2.369 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.115 -5.583 2.477 1.00 0.00 C ATOM 1249 OH TYR A 87 2.144 -5.826 1.533 1.00 0.00 O ATOM 0 H TYR A 87 7.989 -5.349 3.142 1.00 0.00 H new ATOM 0 HA TYR A 87 8.084 -5.508 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.766 -5.113 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.342 -3.753 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.390 -6.901 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.509 -3.345 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.659 -7.336 3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.777 -3.777 1.546 1.00 0.00 H new ATOM 0 HH TYR A 87 2.227 -5.177 0.803 1.00 0.00 H new ATOM 1259 N THR A 88 7.152 -7.850 5.908 1.00 0.00 N ATOM 1260 CA THR A 88 6.894 -9.276 5.760 1.00 0.00 C ATOM 1261 C THR A 88 5.606 -9.679 6.468 1.00 0.00 C ATOM 1262 O THR A 88 5.569 -9.864 7.685 1.00 0.00 O ATOM 1263 CB THR A 88 8.058 -10.118 6.317 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.307 -9.591 5.859 1.00 0.00 O ATOM 1265 CG2 THR A 88 7.927 -11.572 5.889 1.00 0.00 C ATOM 0 H THR A 88 7.310 -7.548 6.869 1.00 0.00 H new ATOM 0 HA THR A 88 6.793 -9.469 4.692 1.00 0.00 H new ATOM 0 HB THR A 88 8.023 -10.072 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.042 -10.131 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.760 -12.147 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.988 -11.979 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.939 -11.633 4.801 1.00 0.00 H new ATOM 1273 N PRO A 89 4.521 -9.819 5.691 1.00 0.00 N ATOM 1274 CA PRO A 89 3.210 -10.203 6.224 1.00 0.00 C ATOM 1275 C PRO A 89 3.179 -11.651 6.698 1.00 0.00 C ATOM 1276 O PRO A 89 3.440 -12.574 5.926 1.00 0.00 O ATOM 1277 CB PRO A 89 2.273 -10.011 5.029 1.00 0.00 C ATOM 1278 CG PRO A 89 3.148 -10.158 3.833 1.00 0.00 C ATOM 1279 CD PRO A 89 4.492 -9.615 4.233 1.00 0.00 C ATOM 0 HA PRO A 89 2.936 -9.612 7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.475 -10.753 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.797 -9.031 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.223 -11.203 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.743 -9.609 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.304 -10.146 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.594 -8.562 3.972 1.00 0.00 H new ATOM 1287 N PHE A 90 2.856 -11.845 7.973 1.00 0.00 N ATOM 1288 CA PHE A 90 2.791 -13.182 8.551 1.00 0.00 C ATOM 1289 C PHE A 90 1.353 -13.690 8.584 1.00 0.00 C ATOM 1290 O PHE A 90 0.944 -14.363 9.530 1.00 0.00 O ATOM 1291 CB PHE A 90 3.376 -13.179 9.964 1.00 0.00 C ATOM 1292 CG PHE A 90 2.947 -11.999 10.788 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.690 -11.962 11.368 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.802 -10.925 10.982 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.292 -10.877 12.127 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.410 -9.838 11.740 1.00 0.00 C ATOM 1297 CZ PHE A 90 2.153 -9.813 12.312 1.00 0.00 C ATOM 0 H PHE A 90 2.635 -11.093 8.625 1.00 0.00 H new ATOM 0 HA PHE A 90 3.380 -13.851 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.078 -14.095 10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.464 -13.190 9.898 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.012 -12.791 11.226 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.785 -10.938 10.536 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.309 -10.862 12.575 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.086 -9.008 11.885 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.844 -8.963 12.903 1.00 0.00 H new ATOM 1307 N GLU A 91 0.591 -13.362 7.545 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.802 -13.784 7.456 1.00 0.00 C ATOM 1309 C GLU A 91 -1.337 -13.600 6.039 1.00 0.00 C ATOM 1310 O GLU A 91 -1.252 -12.514 5.467 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.662 -12.993 8.445 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.692 -13.592 9.841 1.00 0.00 C ATOM 1313 CD GLU A 91 -2.930 -13.193 10.620 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.333 -12.015 10.532 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -3.496 -14.061 11.318 1.00 0.00 O ATOM 0 H GLU A 91 0.915 -12.806 6.754 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.851 -14.843 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.285 -11.972 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.681 -12.935 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.648 -14.679 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.805 -13.274 10.388 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.889 -14.671 5.478 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.439 -14.630 4.128 1.00 0.00 C ATOM 1324 C LYS A 92 -3.804 -13.950 4.118 1.00 0.00 C ATOM 1325 O LYS A 92 -4.771 -14.469 4.673 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.558 -16.046 3.561 1.00 0.00 C ATOM 1327 CG LYS A 92 -1.297 -16.876 3.725 1.00 0.00 C ATOM 1328 CD LYS A 92 -1.506 -18.307 3.260 1.00 0.00 C ATOM 1329 CE LYS A 92 -1.983 -19.199 4.396 1.00 0.00 C ATOM 1330 NZ LYS A 92 -0.863 -19.607 5.288 1.00 0.00 N ATOM 0 H LYS A 92 -1.967 -15.578 5.938 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.760 -14.051 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.385 -16.557 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.807 -15.984 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.486 -16.423 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.992 -16.874 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.236 -18.325 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.573 -18.699 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.738 -18.672 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.461 -20.088 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.067 -20.541 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.019 -19.655 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.757 -18.910 6.053 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.875 -12.785 3.480 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.127 -12.054 3.408 1.00 0.00 C ATOM 1346 C GLY A 93 -4.939 -10.627 2.933 1.00 0.00 C ATOM 1347 O GLY A 93 -3.812 -10.186 2.702 1.00 0.00 O ATOM 0 H GLY A 93 -3.088 -12.335 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.808 -12.572 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.597 -12.047 4.391 1.00 0.00 H new ATOM 1351 N LEU A 94 -6.043 -9.904 2.786 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.995 -8.518 2.334 1.00 0.00 C ATOM 1353 C LEU A 94 -5.835 -7.565 3.514 1.00 0.00 C ATOM 1354 O LEU A 94 -6.701 -7.490 4.387 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.264 -8.172 1.553 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.548 -6.681 1.360 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.488 -6.047 0.473 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -8.935 -6.475 0.769 1.00 0.00 C ATOM 0 H LEU A 94 -6.983 -10.254 2.973 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.130 -8.405 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.201 -8.640 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.115 -8.620 2.065 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.515 -6.194 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.706 -4.987 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.508 -6.163 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.489 -6.536 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.120 -5.409 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.997 -6.975 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.683 -6.893 1.442 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.723 -6.837 3.534 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.451 -5.886 4.606 1.00 0.00 C ATOM 1372 C HIS A 95 -4.705 -4.456 4.141 1.00 0.00 C ATOM 1373 O HIS A 95 -4.705 -4.172 2.943 1.00 0.00 O ATOM 1374 CB HIS A 95 -3.007 -6.029 5.088 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.438 -7.399 4.880 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.119 -8.553 5.204 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.246 -7.795 4.376 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.369 -9.601 4.909 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.228 -9.168 4.405 1.00 0.00 N ATOM 0 H HIS A 95 -3.996 -6.887 2.820 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.126 -6.105 5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.385 -5.303 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.961 -5.783 6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.456 -7.151 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.643 -10.635 5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.458 -9.758 4.089 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.923 -3.558 5.097 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.179 -2.157 4.786 1.00 0.00 C ATOM 1389 C VAL A 96 -3.996 -1.281 5.182 1.00 0.00 C ATOM 1390 O VAL A 96 -3.800 -0.979 6.360 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.444 -1.645 5.500 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.651 -0.164 5.223 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.661 -2.451 5.070 1.00 0.00 C ATOM 0 H VAL A 96 -4.927 -3.776 6.093 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.329 -2.095 3.708 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.311 -1.774 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.549 0.180 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.790 0.398 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.763 -0.007 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.546 -2.076 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.799 -2.355 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.511 -3.500 5.324 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.209 -0.875 4.191 1.00 0.00 N ATOM 1404 CA VAL A 97 -2.045 -0.031 4.435 1.00 0.00 C ATOM 1405 C VAL A 97 -2.398 1.446 4.299 1.00 0.00 C ATOM 1406 O VAL A 97 -2.881 1.884 3.256 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.896 -0.365 3.465 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.263 0.601 3.657 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.440 -1.803 3.655 1.00 0.00 C ATOM 0 H VAL A 97 -3.356 -1.117 3.211 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.718 -0.230 5.456 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.262 -0.256 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.065 0.349 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.076 1.619 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.632 0.528 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.372 -2.022 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.091 -1.942 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.274 -2.478 3.461 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.153 2.208 5.360 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.446 3.636 5.358 1.00 0.00 C ATOM 1421 C GLU A 98 -1.165 4.454 5.216 1.00 0.00 C ATOM 1422 O GLU A 98 -0.291 4.415 6.082 1.00 0.00 O ATOM 1423 CB GLU A 98 -3.176 4.031 6.644 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.653 3.677 6.638 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.220 3.513 8.035 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -4.787 4.255 8.941 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -6.097 2.644 8.221 1.00 0.00 O ATOM 0 H GLU A 98 -1.753 1.860 6.231 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.089 3.848 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.696 3.539 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.069 5.105 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.207 4.456 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.799 2.752 6.080 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.061 5.193 4.116 1.00 0.00 N ATOM 1435 CA VAL A 99 0.111 6.021 3.859 1.00 0.00 C ATOM 1436 C VAL A 99 -0.199 7.497 4.079 1.00 0.00 C ATOM 1437 O VAL A 99 -1.273 7.979 3.714 1.00 0.00 O ATOM 1438 CB VAL A 99 0.633 5.825 2.423 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.862 6.687 2.180 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.940 4.358 2.164 1.00 0.00 C ATOM 0 H VAL A 99 -1.775 5.235 3.388 1.00 0.00 H new ATOM 0 HA VAL A 99 0.881 5.706 4.563 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.144 6.138 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.217 6.536 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.604 7.736 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.647 6.408 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.308 4.238 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.700 4.016 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.033 3.768 2.295 1.00 0.00 H new ATOM 1450 N THR A 100 0.748 8.213 4.677 1.00 0.00 N ATOM 1451 CA THR A 100 0.576 9.635 4.946 1.00 0.00 C ATOM 1452 C THR A 100 1.873 10.400 4.710 1.00 0.00 C ATOM 1453 O THR A 100 2.876 10.163 5.384 1.00 0.00 O ATOM 1454 CB THR A 100 0.104 9.880 6.392 1.00 0.00 C ATOM 1455 OG1 THR A 100 0.927 9.147 7.307 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.349 9.465 6.565 1.00 0.00 C ATOM 0 H THR A 100 1.642 7.831 4.984 1.00 0.00 H new ATOM 0 HA THR A 100 -0.187 9.997 4.257 1.00 0.00 H new ATOM 0 HB THR A 100 0.188 10.946 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.865 9.216 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.659 9.647 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.976 10.045 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.454 8.404 6.337 1.00 0.00 H new ATOM 1464 N TYR A 101 1.846 11.318 3.751 1.00 0.00 N ATOM 1465 CA TYR A 101 3.021 12.118 3.425 1.00 0.00 C ATOM 1466 C TYR A 101 2.915 13.515 4.029 1.00 0.00 C ATOM 1467 O TYR A 101 2.086 14.323 3.610 1.00 0.00 O ATOM 1468 CB TYR A 101 3.192 12.217 1.908 1.00 0.00 C ATOM 1469 CG TYR A 101 4.502 12.842 1.485 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.802 14.160 1.809 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.440 12.115 0.762 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.998 14.735 1.424 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.639 12.682 0.375 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.913 13.992 0.708 1.00 0.00 C ATOM 1475 OH TYR A 101 8.105 14.561 0.323 1.00 0.00 O ATOM 0 H TYR A 101 1.023 11.527 3.185 1.00 0.00 H new ATOM 0 HA TYR A 101 3.894 11.624 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.120 11.218 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.370 12.802 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.088 14.744 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.228 11.089 0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.215 15.761 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.358 12.102 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 101 8.368 15.243 0.976 1.00 0.00 H new ATOM 1485 N ASP A 102 3.760 13.791 5.015 1.00 0.00 N ATOM 1486 CA ASP A 102 3.764 15.091 5.677 1.00 0.00 C ATOM 1487 C ASP A 102 2.440 15.340 6.393 1.00 0.00 C ATOM 1488 O ASP A 102 1.885 16.437 6.328 1.00 0.00 O ATOM 1489 CB ASP A 102 4.026 16.204 4.661 1.00 0.00 C ATOM 1490 CG ASP A 102 4.428 17.508 5.322 1.00 0.00 C ATOM 1491 OD1 ASP A 102 4.108 17.693 6.515 1.00 0.00 O ATOM 1492 OD2 ASP A 102 5.065 18.343 4.646 1.00 0.00 O ATOM 0 H ASP A 102 4.451 13.133 5.374 1.00 0.00 H new ATOM 0 HA ASP A 102 4.563 15.091 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.814 15.889 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.129 16.365 4.063 1.00 0.00 H new ATOM 1497 N ASP A 103 1.940 14.315 7.074 1.00 0.00 N ATOM 1498 CA ASP A 103 0.681 14.422 7.802 1.00 0.00 C ATOM 1499 C ASP A 103 -0.490 14.601 6.841 1.00 0.00 C ATOM 1500 O ASP A 103 -1.519 15.173 7.199 1.00 0.00 O ATOM 1501 CB ASP A 103 0.734 15.593 8.785 1.00 0.00 C ATOM 1502 CG ASP A 103 1.964 15.551 9.670 1.00 0.00 C ATOM 1503 OD1 ASP A 103 3.070 15.836 9.164 1.00 0.00 O ATOM 1504 OD2 ASP A 103 1.821 15.234 10.869 1.00 0.00 O ATOM 0 H ASP A 103 2.387 13.400 7.137 1.00 0.00 H new ATOM 0 HA ASP A 103 0.532 13.497 8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.722 16.531 8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.160 15.580 9.409 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.324 14.109 5.617 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.367 14.215 4.603 1.00 0.00 C ATOM 1511 C VAL A 104 -1.483 12.925 3.798 1.00 0.00 C ATOM 1512 O VAL A 104 -0.543 12.494 3.131 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.097 15.386 3.640 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.150 15.429 2.544 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.053 16.702 4.402 1.00 0.00 C ATOM 0 H VAL A 104 0.522 13.633 5.304 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.304 14.397 5.130 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.125 15.232 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.943 16.263 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.127 14.496 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.135 15.559 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.861 17.519 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.009 16.866 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.258 16.665 5.146 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.665 12.294 3.860 1.00 0.00 N ATOM 1526 CA PRO A 105 -2.933 11.044 3.142 1.00 0.00 C ATOM 1527 C PRO A 105 -3.011 11.249 1.633 1.00 0.00 C ATOM 1528 O PRO A 105 -3.328 12.340 1.160 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.292 10.604 3.692 1.00 0.00 C ATOM 1530 CG PRO A 105 -4.942 11.863 4.149 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.830 12.751 4.636 1.00 0.00 C ATOM 0 HA PRO A 105 -2.140 10.311 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.887 10.107 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.176 9.897 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.491 12.336 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.660 11.665 4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.047 13.804 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.667 12.640 5.708 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.719 10.192 0.882 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.757 10.256 -0.574 1.00 0.00 C ATOM 1541 C ILE A 106 -4.099 9.768 -1.111 1.00 0.00 C ATOM 1542 O ILE A 106 -4.824 9.021 -0.454 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.630 9.418 -1.205 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.447 8.108 -0.435 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.331 10.210 -1.228 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.483 7.148 -1.097 1.00 0.00 C ATOM 0 H ILE A 106 -2.454 9.282 1.258 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.617 11.302 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.906 9.179 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.090 8.333 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.416 7.621 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.456 9.605 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.469 11.118 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.048 10.475 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.402 6.242 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.849 6.893 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.498 7.617 -1.180 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.438 10.199 -2.335 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.693 9.816 -2.989 1.00 0.00 C ATOM 1560 C PRO A 107 -5.712 8.346 -3.393 1.00 0.00 C ATOM 1561 O PRO A 107 -6.663 7.876 -4.015 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.735 10.713 -4.229 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.308 11.033 -4.513 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.623 11.091 -3.175 1.00 0.00 C ATOM 0 HA PRO A 107 -6.551 9.939 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.202 10.202 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.314 11.618 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.857 10.272 -5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.218 11.983 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.590 10.750 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.601 12.106 -2.779 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.654 7.625 -3.035 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.549 6.208 -3.362 1.00 0.00 C ATOM 1574 C ASN A 108 -4.826 5.345 -2.134 1.00 0.00 C ATOM 1575 O ASN A 108 -5.263 4.201 -2.253 1.00 0.00 O ATOM 1576 CB ASN A 108 -3.159 5.892 -3.918 1.00 0.00 C ATOM 1577 CG ASN A 108 -2.703 6.910 -4.945 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -1.685 7.578 -4.764 1.00 0.00 O ATOM 1579 ND2 ASN A 108 -3.457 7.033 -6.031 1.00 0.00 N ATOM 0 H ASN A 108 -3.858 7.999 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.297 5.980 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.441 5.860 -3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.169 4.901 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.200 7.702 -6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.293 6.458 -6.139 1.00 0.00 H new ATOM 1586 N SER A 109 -4.568 5.903 -0.955 1.00 0.00 N ATOM 1587 CA SER A 109 -4.786 5.184 0.294 1.00 0.00 C ATOM 1588 C SER A 109 -6.223 5.357 0.778 1.00 0.00 C ATOM 1589 O SER A 109 -6.911 6.316 0.428 1.00 0.00 O ATOM 1590 CB SER A 109 -3.813 5.676 1.367 1.00 0.00 C ATOM 1591 OG SER A 109 -2.530 5.098 1.196 1.00 0.00 O ATOM 0 H SER A 109 -4.208 6.850 -0.839 1.00 0.00 H new ATOM 0 HA SER A 109 -4.608 4.125 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.735 6.762 1.321 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.199 5.426 2.355 1.00 0.00 H new ATOM 0 HG SER A 109 -2.583 4.371 0.541 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.688 4.407 1.602 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.878 3.260 2.025 1.00 0.00 C ATOM 1599 C PRO A 110 -5.619 2.282 0.884 1.00 0.00 C ATOM 1600 O PRO A 110 -6.363 2.243 -0.096 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.735 2.602 3.109 1.00 0.00 C ATOM 1602 CG PRO A 110 -8.132 3.002 2.783 1.00 0.00 C ATOM 1603 CD PRO A 110 -8.040 4.378 2.184 1.00 0.00 C ATOM 0 HA PRO A 110 -4.889 3.563 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.621 1.518 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.447 2.944 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.585 2.301 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.755 3.007 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.807 4.539 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.170 5.154 2.938 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.558 1.492 1.018 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.200 0.514 -0.002 1.00 0.00 C ATOM 1613 C PHE A 111 -4.768 -0.861 0.340 1.00 0.00 C ATOM 1614 O PHE A 111 -5.230 -1.094 1.457 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.679 0.428 -0.145 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.082 1.584 -0.895 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.334 1.755 -2.247 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.267 2.499 -0.249 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -1.786 2.817 -2.940 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -0.716 3.564 -0.937 1.00 0.00 C ATOM 1621 CZ PHE A 111 -0.975 3.723 -2.284 1.00 0.00 C ATOM 0 H PHE A 111 -3.932 1.510 1.823 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.629 0.840 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.231 0.379 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.422 -0.499 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.967 1.049 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.060 2.379 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.991 2.939 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.083 4.271 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.545 4.554 -2.824 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.731 -1.767 -0.631 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.241 -3.119 -0.435 1.00 0.00 C ATOM 1633 C LYS A 112 -4.282 -4.152 -1.019 1.00 0.00 C ATOM 1634 O LYS A 112 -4.159 -4.281 -2.237 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.620 -3.265 -1.082 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.763 -2.833 -0.180 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.001 -2.472 -0.984 1.00 0.00 C ATOM 1638 CE LYS A 112 -10.100 -1.911 -0.094 1.00 0.00 C ATOM 1639 NZ LYS A 112 -10.823 -2.987 0.640 1.00 0.00 N ATOM 0 H LYS A 112 -4.353 -1.590 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.329 -3.295 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.647 -2.674 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.769 -4.306 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.002 -3.637 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.453 -1.975 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.740 -1.739 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.369 -3.356 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.667 -1.212 0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.808 -1.348 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.564 -2.564 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.258 -3.641 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.153 -3.509 1.240 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.605 -4.887 -0.143 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.659 -5.911 -0.572 1.00 0.00 C ATOM 1655 C VAL A 113 -3.223 -7.309 -0.347 1.00 0.00 C ATOM 1656 O VAL A 113 -3.179 -7.836 0.765 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.318 -5.784 0.175 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.374 -6.905 -0.229 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.688 -4.424 -0.090 1.00 0.00 C ATOM 0 H VAL A 113 -3.694 -4.793 0.869 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.489 -5.758 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.508 -5.869 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.568 -6.799 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.825 -7.867 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.187 -6.854 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.259 -4.351 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.510 -4.307 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.361 -3.638 0.254 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.753 -7.905 -1.409 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.324 -9.244 -1.329 1.00 0.00 C ATOM 1671 C ALA A 114 -3.245 -10.311 -1.482 1.00 0.00 C ATOM 1672 O ALA A 114 -2.897 -10.701 -2.597 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.401 -9.424 -2.388 1.00 0.00 C ATOM 0 H ALA A 114 -3.799 -7.482 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.776 -9.360 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.818 -10.429 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.192 -8.691 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.966 -9.282 -3.377 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.717 -10.779 -0.356 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.678 -11.801 -0.365 1.00 0.00 C ATOM 1681 C VAL A 115 -2.248 -13.162 -0.751 1.00 0.00 C ATOM 1682 O VAL A 115 -3.373 -13.503 -0.385 1.00 0.00 O ATOM 1683 CB VAL A 115 -0.990 -11.916 1.009 1.00 0.00 C ATOM 1684 CG1 VAL A 115 0.015 -13.057 1.009 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.319 -10.602 1.379 1.00 0.00 C ATOM 0 H VAL A 115 -2.992 -10.466 0.575 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.941 -11.495 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.749 -12.134 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.491 -13.123 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.498 -13.994 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.774 -12.874 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.162 -10.700 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.430 -10.352 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.068 -9.811 1.423 1.00 0.00 H new ATOM 1695 N THR A 116 -1.464 -13.937 -1.493 1.00 0.00 N ATOM 1696 CA THR A 116 -1.890 -15.261 -1.930 1.00 0.00 C ATOM 1697 C THR A 116 -0.810 -16.302 -1.662 1.00 0.00 C ATOM 1698 O THR A 116 0.381 -15.993 -1.682 1.00 0.00 O ATOM 1699 CB THR A 116 -2.238 -15.272 -3.430 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.663 -16.581 -3.824 1.00 0.00 O ATOM 1701 CG2 THR A 116 -1.040 -14.849 -4.267 1.00 0.00 C ATOM 0 H THR A 116 -0.530 -13.671 -1.804 1.00 0.00 H new ATOM 0 HA THR A 116 -2.782 -15.512 -1.356 1.00 0.00 H new ATOM 0 HB THR A 116 -3.047 -14.561 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.884 -16.580 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.310 -14.865 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.737 -13.841 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.214 -15.538 -4.094 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.234 -17.537 -1.413 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.300 -18.624 -1.142 1.00 0.00 C ATOM 1711 C GLU A 117 0.779 -18.696 -2.218 1.00 0.00 C ATOM 1712 O GLU A 117 0.501 -19.024 -3.370 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.046 -19.958 -1.062 1.00 0.00 C ATOM 1714 CG GLU A 117 -1.521 -20.307 0.338 1.00 0.00 C ATOM 1715 CD GLU A 117 -0.494 -21.100 1.123 1.00 0.00 C ATOM 1716 OE1 GLU A 117 0.433 -20.478 1.683 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -0.616 -22.341 1.177 1.00 0.00 O ATOM 0 H GLU A 117 -2.217 -17.810 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 117 0.180 -18.426 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.906 -19.924 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.393 -20.752 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.755 -19.389 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.445 -20.882 0.271 1.00 0.00 H new