USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 632 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 37 GLN : amide:sc= 1.05 K(o=2.2,f=0.28) USER MOD Set 1.2: A 53 SER OG : rot 52:sc= 1.19 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.237 X(o=-2.5,f=-2) USER MOD Set 2.2: A 77 GLN : amide:sc= -2.3 K(o=-2.5,f=-7.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 27:sc= -2.88! USER MOD Single : A 24 GLN : amide:sc=-0.00489 X(o=-0.0049,f=-0.14) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -57:sc= 0.0101 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -3.33 K(o=-3.3,f=-8.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0404 K(o=-0.04,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.86) USER MOD Single : A 76 MET CE :methyl 168:sc= -5.41! (180deg=-5.9!) USER MOD Single : A 78 ASN : amide:sc=-0.00583 K(o=-0.0058,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -2.53! C(o=-2.5!,f=-4.1!) USER MOD Single : A 91 TYR OH : rot 76:sc= -1.22! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -7.986 2.309 -6.972 1.00 0.00 N ATOM 213 CA VAL A 18 -7.682 1.654 -5.711 1.00 0.00 C ATOM 214 C VAL A 18 -8.472 0.347 -5.617 1.00 0.00 C ATOM 215 O VAL A 18 -9.649 0.302 -5.974 1.00 0.00 O ATOM 216 CB VAL A 18 -7.960 2.606 -4.546 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.958 1.856 -3.213 1.00 0.00 C ATOM 218 CG2 VAL A 18 -6.953 3.758 -4.528 1.00 0.00 C ATOM 0 HA VAL A 18 -6.624 1.399 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.953 3.031 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.158 2.556 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.730 1.087 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.985 1.390 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.173 4.420 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.945 3.358 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.023 4.317 -5.461 1.00 0.00 H new ATOM 228 N SER A 19 -7.794 -0.684 -5.135 1.00 0.00 N ATOM 229 CA SER A 19 -8.418 -1.988 -4.989 1.00 0.00 C ATOM 230 C SER A 19 -9.060 -2.109 -3.605 1.00 0.00 C ATOM 231 O SER A 19 -8.635 -1.447 -2.660 1.00 0.00 O ATOM 232 CB SER A 19 -7.402 -3.111 -5.203 1.00 0.00 C ATOM 233 OG SER A 19 -7.733 -3.923 -6.327 1.00 0.00 O ATOM 0 H SER A 19 -6.818 -0.643 -4.840 1.00 0.00 H new ATOM 0 HA SER A 19 -9.192 -2.085 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.411 -2.681 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.354 -3.732 -4.309 1.00 0.00 H new ATOM 0 HG SER A 19 -7.060 -4.627 -6.431 1.00 0.00 H new ATOM 239 N PRO A 20 -10.100 -2.982 -3.529 1.00 0.00 N ATOM 240 CA PRO A 20 -10.805 -3.199 -2.277 1.00 0.00 C ATOM 241 C PRO A 20 -9.972 -4.053 -1.319 1.00 0.00 C ATOM 242 O PRO A 20 -10.226 -4.071 -0.116 1.00 0.00 O ATOM 243 CB PRO A 20 -12.116 -3.857 -2.672 1.00 0.00 C ATOM 244 CG PRO A 20 -11.901 -4.406 -4.073 1.00 0.00 C ATOM 245 CD PRO A 20 -10.631 -3.783 -4.628 1.00 0.00 C ATOM 0 HA PRO A 20 -10.988 -2.273 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.378 -4.654 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.935 -3.138 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.814 -5.492 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.753 -4.169 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.919 -4.547 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.842 -3.166 -5.502 1.00 0.00 H new ATOM 253 N ASP A 21 -8.994 -4.741 -1.890 1.00 0.00 N ATOM 254 CA ASP A 21 -8.122 -5.596 -1.102 1.00 0.00 C ATOM 255 C ASP A 21 -6.816 -4.854 -0.810 1.00 0.00 C ATOM 256 O ASP A 21 -5.857 -5.448 -0.320 1.00 0.00 O ATOM 257 CB ASP A 21 -7.777 -6.880 -1.860 1.00 0.00 C ATOM 258 CG ASP A 21 -8.930 -7.486 -2.662 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.774 -8.155 -2.027 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.942 -7.267 -3.893 1.00 0.00 O ATOM 0 H ASP A 21 -8.786 -4.724 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.644 -5.851 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.951 -6.672 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.422 -7.622 -1.145 1.00 0.00 H new ATOM 265 N ILE A 22 -6.821 -3.567 -1.124 1.00 0.00 N ATOM 266 CA ILE A 22 -5.648 -2.738 -0.902 1.00 0.00 C ATOM 267 C ILE A 22 -5.074 -3.037 0.484 1.00 0.00 C ATOM 268 O ILE A 22 -3.861 -2.981 0.683 1.00 0.00 O ATOM 269 CB ILE A 22 -5.986 -1.262 -1.123 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.795 -0.369 -0.769 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.248 -0.867 -0.353 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.836 -0.238 -1.955 1.00 0.00 C ATOM 0 H ILE A 22 -7.618 -3.078 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.870 -2.975 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.196 -1.114 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.151 0.618 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.265 -0.786 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.466 0.187 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.087 -1.472 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.091 -1.033 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.998 0.402 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.463 -1.224 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.363 0.202 -2.802 1.00 0.00 H new ATOM 284 N TYR A 23 -5.972 -3.346 1.408 1.00 0.00 N ATOM 285 CA TYR A 23 -5.569 -3.654 2.770 1.00 0.00 C ATOM 286 C TYR A 23 -4.747 -4.943 2.821 1.00 0.00 C ATOM 287 O TYR A 23 -3.627 -4.949 3.329 1.00 0.00 O ATOM 288 CB TYR A 23 -6.865 -3.858 3.557 1.00 0.00 C ATOM 289 CG TYR A 23 -7.927 -2.787 3.296 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.791 -1.531 3.851 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.020 -3.078 2.506 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.790 -0.524 3.606 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.019 -2.071 2.260 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.855 -0.843 2.822 1.00 0.00 C ATOM 295 OH TYR A 23 -10.799 0.108 2.590 1.00 0.00 O ATOM 0 H TYR A 23 -6.977 -3.390 1.240 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.953 -2.853 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.280 -4.835 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.633 -3.873 4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.935 -1.304 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.126 -4.061 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.696 0.463 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.879 -2.286 1.643 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.394 0.997 2.667 1.00 0.00 H new ATOM 305 N GLN A 24 -5.335 -6.004 2.288 1.00 0.00 N ATOM 306 CA GLN A 24 -4.671 -7.296 2.267 1.00 0.00 C ATOM 307 C GLN A 24 -3.398 -7.224 1.422 1.00 0.00 C ATOM 308 O GLN A 24 -2.406 -7.884 1.730 1.00 0.00 O ATOM 309 CB GLN A 24 -5.611 -8.387 1.751 1.00 0.00 C ATOM 310 CG GLN A 24 -4.950 -9.764 1.831 1.00 0.00 C ATOM 311 CD GLN A 24 -5.764 -10.713 2.713 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.972 -10.833 2.589 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.038 -11.378 3.606 1.00 0.00 N ATOM 0 H GLN A 24 -6.264 -5.995 1.867 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.392 -7.556 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.530 -8.387 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.890 -8.173 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.855 -10.184 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.941 -9.664 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.030 -11.230 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.489 -12.037 4.241 1.00 0.00 H new ATOM 322 N GLN A 25 -3.467 -6.418 0.372 1.00 0.00 N ATOM 323 CA GLN A 25 -2.332 -6.252 -0.519 1.00 0.00 C ATOM 324 C GLN A 25 -1.126 -5.710 0.251 1.00 0.00 C ATOM 325 O GLN A 25 -0.006 -6.186 0.073 1.00 0.00 O ATOM 326 CB GLN A 25 -2.687 -5.339 -1.695 1.00 0.00 C ATOM 327 CG GLN A 25 -3.639 -6.040 -2.666 1.00 0.00 C ATOM 328 CD GLN A 25 -3.412 -5.558 -4.100 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.741 -6.193 -4.897 1.00 0.00 O ATOM 330 NE2 GLN A 25 -4.008 -4.403 -4.383 1.00 0.00 N ATOM 0 H GLN A 25 -4.291 -5.873 0.119 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.069 -7.229 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.149 -4.425 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.778 -5.046 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.489 -7.118 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.671 -5.847 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.556 -3.923 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.918 -3.997 -5.314 1.00 0.00 H new ATOM 339 N VAL A 26 -1.397 -4.721 1.091 1.00 0.00 N ATOM 340 CA VAL A 26 -0.348 -4.109 1.889 1.00 0.00 C ATOM 341 C VAL A 26 0.292 -5.173 2.784 1.00 0.00 C ATOM 342 O VAL A 26 1.480 -5.463 2.657 1.00 0.00 O ATOM 343 CB VAL A 26 -0.913 -2.926 2.677 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.133 -2.357 3.637 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.440 -1.841 1.734 1.00 0.00 C ATOM 0 H VAL A 26 -2.327 -4.329 1.236 1.00 0.00 H new ATOM 0 HA VAL A 26 0.437 -3.709 1.247 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.751 -3.289 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.295 -1.517 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.440 -3.131 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.000 -2.017 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.836 -1.011 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.628 -1.483 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.232 -2.255 1.109 1.00 0.00 H new ATOM 355 N ARG A 27 -0.525 -5.724 3.670 1.00 0.00 N ATOM 356 CA ARG A 27 -0.054 -6.748 4.586 1.00 0.00 C ATOM 357 C ARG A 27 0.825 -7.759 3.846 1.00 0.00 C ATOM 358 O ARG A 27 1.953 -8.025 4.258 1.00 0.00 O ATOM 359 CB ARG A 27 -1.226 -7.484 5.239 1.00 0.00 C ATOM 360 CG ARG A 27 -2.081 -6.525 6.069 1.00 0.00 C ATOM 361 CD ARG A 27 -3.563 -6.898 5.983 1.00 0.00 C ATOM 362 NE ARG A 27 -4.089 -7.198 7.333 1.00 0.00 N ATOM 363 CZ ARG A 27 -3.801 -8.312 8.021 1.00 0.00 C ATOM 364 NH1 ARG A 27 -2.992 -9.238 7.489 1.00 0.00 N ATOM 365 NH2 ARG A 27 -4.324 -8.500 9.240 1.00 0.00 N ATOM 0 H ARG A 27 -1.510 -5.480 3.773 1.00 0.00 H new ATOM 0 HA ARG A 27 0.529 -6.254 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.840 -7.952 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.848 -8.284 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.756 -6.549 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.938 -5.504 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.127 -6.079 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.691 -7.764 5.333 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.709 -6.515 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.595 -9.095 6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.773 -10.085 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.941 -7.796 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.105 -9.347 9.764 1.00 0.00 H new ATOM 379 N ASP A 28 0.276 -8.294 2.766 1.00 0.00 N ATOM 380 CA ASP A 28 0.996 -9.269 1.965 1.00 0.00 C ATOM 381 C ASP A 28 2.306 -8.650 1.472 1.00 0.00 C ATOM 382 O ASP A 28 3.339 -9.317 1.445 1.00 0.00 O ATOM 383 CB ASP A 28 0.180 -9.685 0.739 1.00 0.00 C ATOM 384 CG ASP A 28 -0.123 -11.182 0.642 1.00 0.00 C ATOM 385 OD1 ASP A 28 0.857 -11.955 0.570 1.00 0.00 O ATOM 386 OD2 ASP A 28 -1.326 -11.519 0.641 1.00 0.00 O ATOM 0 H ASP A 28 -0.660 -8.071 2.427 1.00 0.00 H new ATOM 0 HA ASP A 28 1.184 -10.144 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.763 -9.138 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.719 -9.380 -0.158 1.00 0.00 H new ATOM 391 N GLU A 29 2.220 -7.383 1.095 1.00 0.00 N ATOM 392 CA GLU A 29 3.385 -6.667 0.606 1.00 0.00 C ATOM 393 C GLU A 29 4.468 -6.614 1.685 1.00 0.00 C ATOM 394 O GLU A 29 5.641 -6.857 1.405 1.00 0.00 O ATOM 395 CB GLU A 29 3.008 -5.260 0.138 1.00 0.00 C ATOM 396 CG GLU A 29 4.132 -4.639 -0.693 1.00 0.00 C ATOM 397 CD GLU A 29 4.378 -5.443 -1.971 1.00 0.00 C ATOM 398 OE1 GLU A 29 5.195 -6.386 -1.900 1.00 0.00 O ATOM 399 OE2 GLU A 29 3.743 -5.096 -2.991 1.00 0.00 O ATOM 0 H GLU A 29 1.361 -6.834 1.118 1.00 0.00 H new ATOM 0 HA GLU A 29 3.783 -7.206 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.094 -5.303 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.799 -4.629 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.874 -3.611 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.047 -4.600 -0.102 1.00 0.00 H new ATOM 406 N LEU A 30 4.036 -6.296 2.896 1.00 0.00 N ATOM 407 CA LEU A 30 4.954 -6.208 4.019 1.00 0.00 C ATOM 408 C LEU A 30 5.614 -7.571 4.241 1.00 0.00 C ATOM 409 O LEU A 30 6.832 -7.657 4.394 1.00 0.00 O ATOM 410 CB LEU A 30 4.237 -5.664 5.256 1.00 0.00 C ATOM 411 CG LEU A 30 3.415 -4.390 5.049 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.531 -4.105 6.264 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.319 -3.204 4.707 1.00 0.00 C ATOM 0 H LEU A 30 3.062 -6.096 3.124 1.00 0.00 H new ATOM 0 HA LEU A 30 5.752 -5.498 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.576 -6.441 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.982 -5.471 6.028 1.00 0.00 H new ATOM 0 HG LEU A 30 2.752 -4.545 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.957 -3.194 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.848 -4.940 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.157 -3.977 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.710 -2.311 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.023 -3.037 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.869 -3.418 3.790 1.00 0.00 H new ATOM 425 N LYS A 31 4.781 -8.601 4.251 1.00 0.00 N ATOM 426 CA LYS A 31 5.268 -9.955 4.451 1.00 0.00 C ATOM 427 C LYS A 31 6.132 -10.364 3.255 1.00 0.00 C ATOM 428 O LYS A 31 6.806 -11.392 3.295 1.00 0.00 O ATOM 429 CB LYS A 31 4.103 -10.909 4.722 1.00 0.00 C ATOM 430 CG LYS A 31 4.611 -12.279 5.178 1.00 0.00 C ATOM 431 CD LYS A 31 4.176 -13.376 4.205 1.00 0.00 C ATOM 432 CE LYS A 31 3.081 -14.251 4.819 1.00 0.00 C ATOM 433 NZ LYS A 31 3.317 -15.677 4.501 1.00 0.00 N ATOM 0 H LYS A 31 3.772 -8.525 4.124 1.00 0.00 H new ATOM 0 HA LYS A 31 5.903 -10.004 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.452 -10.486 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.503 -11.022 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.698 -12.262 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.229 -12.499 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.811 -12.925 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.034 -13.994 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.060 -14.112 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.107 -13.944 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.565 -16.256 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.314 -15.808 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.238 -15.970 4.885 1.00 0.00 H new ATOM 447 N ARG A 32 6.083 -9.538 2.221 1.00 0.00 N ATOM 448 CA ARG A 32 6.852 -9.800 1.016 1.00 0.00 C ATOM 449 C ARG A 32 8.235 -9.154 1.119 1.00 0.00 C ATOM 450 O ARG A 32 9.251 -9.822 0.931 1.00 0.00 O ATOM 451 CB ARG A 32 6.136 -9.261 -0.223 1.00 0.00 C ATOM 452 CG ARG A 32 6.079 -10.318 -1.328 1.00 0.00 C ATOM 453 CD ARG A 32 5.944 -9.666 -2.705 1.00 0.00 C ATOM 454 NE ARG A 32 5.807 -10.708 -3.747 1.00 0.00 N ATOM 455 CZ ARG A 32 4.661 -11.341 -4.031 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.545 -11.042 -3.353 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.631 -12.273 -4.993 1.00 0.00 N ATOM 0 H ARG A 32 5.523 -8.686 2.192 1.00 0.00 H new ATOM 0 HA ARG A 32 6.958 -10.880 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.125 -8.953 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.654 -8.374 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.981 -10.929 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.235 -10.986 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.076 -9.007 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.817 -9.047 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 32 6.638 -10.960 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.568 -10.332 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.672 -11.524 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.481 -12.501 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.758 -12.755 -5.209 1.00 0.00 H new ATOM 471 N ALA A 33 8.230 -7.863 1.416 1.00 0.00 N ATOM 472 CA ALA A 33 9.472 -7.120 1.546 1.00 0.00 C ATOM 473 C ALA A 33 9.988 -7.245 2.980 1.00 0.00 C ATOM 474 O ALA A 33 11.081 -6.775 3.294 1.00 0.00 O ATOM 475 CB ALA A 33 9.241 -5.665 1.134 1.00 0.00 C ATOM 0 H ALA A 33 7.385 -7.312 1.570 1.00 0.00 H new ATOM 0 HA ALA A 33 10.236 -7.529 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.172 -5.107 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.903 -5.629 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.483 -5.220 1.778 1.00 0.00 H new ATOM 481 N SER A 34 9.178 -7.880 3.814 1.00 0.00 N ATOM 482 CA SER A 34 9.539 -8.073 5.208 1.00 0.00 C ATOM 483 C SER A 34 9.880 -6.727 5.851 1.00 0.00 C ATOM 484 O SER A 34 10.836 -6.625 6.618 1.00 0.00 O ATOM 485 CB SER A 34 10.718 -9.039 5.343 1.00 0.00 C ATOM 486 OG SER A 34 10.810 -9.589 6.655 1.00 0.00 O ATOM 0 H SER A 34 8.272 -8.268 3.551 1.00 0.00 H new ATOM 0 HA SER A 34 8.685 -8.510 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.610 -9.846 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.644 -8.517 5.103 1.00 0.00 H new ATOM 0 HG SER A 34 10.883 -8.863 7.310 1.00 0.00 H new ATOM 492 N VAL A 35 9.079 -5.727 5.514 1.00 0.00 N ATOM 493 CA VAL A 35 9.284 -4.391 6.049 1.00 0.00 C ATOM 494 C VAL A 35 8.199 -4.089 7.085 1.00 0.00 C ATOM 495 O VAL A 35 7.188 -4.787 7.151 1.00 0.00 O ATOM 496 CB VAL A 35 9.322 -3.371 4.909 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.295 -4.069 3.548 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.175 -2.366 5.033 1.00 0.00 C ATOM 0 H VAL A 35 8.287 -5.815 4.877 1.00 0.00 H new ATOM 0 HA VAL A 35 10.246 -4.327 6.557 1.00 0.00 H new ATOM 0 HB VAL A 35 10.259 -2.820 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.323 -3.322 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.161 -4.725 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.382 -4.658 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.226 -1.653 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.222 -2.895 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.259 -1.834 5.980 1.00 0.00 H new ATOM 508 N SER A 36 8.445 -3.049 7.867 1.00 0.00 N ATOM 509 CA SER A 36 7.502 -2.646 8.896 1.00 0.00 C ATOM 510 C SER A 36 6.471 -1.679 8.311 1.00 0.00 C ATOM 511 O SER A 36 6.814 -0.807 7.514 1.00 0.00 O ATOM 512 CB SER A 36 8.222 -2.001 10.081 1.00 0.00 C ATOM 513 OG SER A 36 8.428 -2.924 11.148 1.00 0.00 O ATOM 0 H SER A 36 9.284 -2.473 7.809 1.00 0.00 H new ATOM 0 HA SER A 36 6.990 -3.537 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.184 -1.608 9.751 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.639 -1.154 10.442 1.00 0.00 H new ATOM 0 HG SER A 36 8.892 -2.474 11.885 1.00 0.00 H new ATOM 519 N GLN A 37 5.228 -1.864 8.730 1.00 0.00 N ATOM 520 CA GLN A 37 4.144 -1.019 8.258 1.00 0.00 C ATOM 521 C GLN A 37 4.617 0.431 8.136 1.00 0.00 C ATOM 522 O GLN A 37 4.178 1.158 7.246 1.00 0.00 O ATOM 523 CB GLN A 37 2.926 -1.123 9.178 1.00 0.00 C ATOM 524 CG GLN A 37 2.184 -2.443 8.958 1.00 0.00 C ATOM 525 CD GLN A 37 1.425 -2.862 10.219 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.554 -2.164 10.710 1.00 0.00 O ATOM 527 NE2 GLN A 37 1.803 -4.037 10.713 1.00 0.00 N ATOM 0 H GLN A 37 4.947 -2.587 9.392 1.00 0.00 H new ATOM 0 HA GLN A 37 3.842 -1.367 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.244 -1.049 10.218 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.252 -0.287 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.486 -2.338 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.894 -3.222 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.540 -4.571 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.356 -4.405 11.553 1.00 0.00 H new ATOM 536 N ALA A 38 5.506 0.808 9.043 1.00 0.00 N ATOM 537 CA ALA A 38 6.043 2.158 9.048 1.00 0.00 C ATOM 538 C ALA A 38 6.865 2.380 7.777 1.00 0.00 C ATOM 539 O ALA A 38 6.490 3.183 6.924 1.00 0.00 O ATOM 540 CB ALA A 38 6.865 2.376 10.320 1.00 0.00 C ATOM 0 H ALA A 38 5.868 0.202 9.779 1.00 0.00 H new ATOM 0 HA ALA A 38 5.237 2.892 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.268 3.389 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.228 2.236 11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.685 1.659 10.350 1.00 0.00 H new ATOM 546 N VAL A 39 7.971 1.655 7.692 1.00 0.00 N ATOM 547 CA VAL A 39 8.849 1.763 6.540 1.00 0.00 C ATOM 548 C VAL A 39 8.005 1.861 5.268 1.00 0.00 C ATOM 549 O VAL A 39 8.249 2.719 4.421 1.00 0.00 O ATOM 550 CB VAL A 39 9.830 0.589 6.518 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.380 0.361 5.108 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.965 0.804 7.521 1.00 0.00 C ATOM 0 H VAL A 39 8.279 0.991 8.402 1.00 0.00 H new ATOM 0 HA VAL A 39 9.450 2.670 6.602 1.00 0.00 H new ATOM 0 HB VAL A 39 9.286 -0.308 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.075 -0.479 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.557 0.142 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.900 1.258 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.648 -0.045 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.506 1.716 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.551 0.894 8.525 1.00 0.00 H new ATOM 562 N PHE A 40 7.029 0.969 5.173 1.00 0.00 N ATOM 563 CA PHE A 40 6.148 0.944 4.019 1.00 0.00 C ATOM 564 C PHE A 40 5.322 2.229 3.931 1.00 0.00 C ATOM 565 O PHE A 40 5.410 2.962 2.947 1.00 0.00 O ATOM 566 CB PHE A 40 5.202 -0.244 4.204 1.00 0.00 C ATOM 567 CG PHE A 40 4.126 -0.359 3.122 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.030 0.445 3.165 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.267 -1.264 2.117 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.032 0.339 2.161 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.269 -1.370 1.112 1.00 0.00 C ATOM 572 CZ PHE A 40 2.173 -0.566 1.155 1.00 0.00 C ATOM 0 H PHE A 40 6.830 0.258 5.877 1.00 0.00 H new ATOM 0 HA PHE A 40 6.735 0.858 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.788 -1.163 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.717 -0.161 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.919 1.164 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.138 -1.902 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.161 0.977 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.380 -2.089 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.414 -0.646 0.390 1.00 0.00 H new ATOM 582 N ALA A 41 4.538 2.463 4.973 1.00 0.00 N ATOM 583 CA ALA A 41 3.698 3.647 5.026 1.00 0.00 C ATOM 584 C ALA A 41 4.513 4.866 4.590 1.00 0.00 C ATOM 585 O ALA A 41 3.962 5.826 4.054 1.00 0.00 O ATOM 586 CB ALA A 41 3.124 3.804 6.436 1.00 0.00 C ATOM 0 H ALA A 41 4.467 1.853 5.787 1.00 0.00 H new ATOM 0 HA ALA A 41 2.856 3.551 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.494 4.692 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.529 2.926 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.940 3.906 7.152 1.00 0.00 H new ATOM 592 N ARG A 42 5.812 4.788 4.836 1.00 0.00 N ATOM 593 CA ARG A 42 6.709 5.873 4.475 1.00 0.00 C ATOM 594 C ARG A 42 6.961 5.873 2.966 1.00 0.00 C ATOM 595 O ARG A 42 7.021 6.932 2.343 1.00 0.00 O ATOM 596 CB ARG A 42 8.046 5.750 5.209 1.00 0.00 C ATOM 597 CG ARG A 42 8.933 6.967 4.939 1.00 0.00 C ATOM 598 CD ARG A 42 8.197 8.266 5.271 1.00 0.00 C ATOM 599 NE ARG A 42 9.079 9.164 6.050 1.00 0.00 N ATOM 600 CZ ARG A 42 8.636 10.138 6.856 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.319 10.346 6.995 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.509 10.903 7.525 1.00 0.00 N ATOM 0 H ARG A 42 6.265 3.990 5.281 1.00 0.00 H new ATOM 0 HA ARG A 42 6.232 6.809 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.869 5.655 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.559 4.843 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.843 6.898 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.237 6.975 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.882 8.760 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.294 8.046 5.840 1.00 0.00 H new ATOM 0 HE ARG A 42 10.087 9.033 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.654 9.763 6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.982 11.088 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.511 10.744 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.172 11.645 8.139 1.00 0.00 H new ATOM 616 N VAL A 43 7.103 4.674 2.421 1.00 0.00 N ATOM 617 CA VAL A 43 7.347 4.522 0.997 1.00 0.00 C ATOM 618 C VAL A 43 6.023 4.241 0.284 1.00 0.00 C ATOM 619 O VAL A 43 6.007 3.954 -0.912 1.00 0.00 O ATOM 620 CB VAL A 43 8.397 3.435 0.759 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.648 3.687 1.603 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.819 2.045 1.035 1.00 0.00 C ATOM 0 H VAL A 43 7.054 3.798 2.941 1.00 0.00 H new ATOM 0 HA VAL A 43 7.752 5.443 0.579 1.00 0.00 H new ATOM 0 HB VAL A 43 8.688 3.474 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.378 2.900 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.078 4.652 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.380 3.688 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.586 1.291 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.486 1.989 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.973 1.865 0.372 1.00 0.00 H new ATOM 632 N ALA A 44 4.945 4.335 1.048 1.00 0.00 N ATOM 633 CA ALA A 44 3.619 4.094 0.504 1.00 0.00 C ATOM 634 C ALA A 44 2.917 5.433 0.272 1.00 0.00 C ATOM 635 O ALA A 44 2.500 5.734 -0.846 1.00 0.00 O ATOM 636 CB ALA A 44 2.836 3.182 1.451 1.00 0.00 C ATOM 0 H ALA A 44 4.962 4.575 2.039 1.00 0.00 H new ATOM 0 HA ALA A 44 3.686 3.585 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.842 3.001 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.361 2.233 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.746 3.661 2.426 1.00 0.00 H new ATOM 642 N PHE A 45 2.807 6.202 1.345 1.00 0.00 N ATOM 643 CA PHE A 45 2.163 7.502 1.272 1.00 0.00 C ATOM 644 C PHE A 45 2.739 8.459 2.318 1.00 0.00 C ATOM 645 O PHE A 45 2.045 9.357 2.792 1.00 0.00 O ATOM 646 CB PHE A 45 0.677 7.282 1.564 1.00 0.00 C ATOM 647 CG PHE A 45 0.403 6.214 2.625 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.598 4.900 2.333 1.00 0.00 C ATOM 649 CD2 PHE A 45 -0.037 6.579 3.859 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.344 3.909 3.318 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.292 5.588 4.843 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.096 4.274 4.552 1.00 0.00 C ATOM 0 H PHE A 45 3.153 5.949 2.271 1.00 0.00 H new ATOM 0 HA PHE A 45 2.324 7.942 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.238 8.225 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.174 6.999 0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.946 4.610 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.192 7.622 4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.500 2.866 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.642 5.878 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.290 3.520 5.301 1.00 0.00 H new ATOM 662 N ASN A 46 4.003 8.234 2.646 1.00 0.00 N ATOM 663 CA ASN A 46 4.680 9.066 3.627 1.00 0.00 C ATOM 664 C ASN A 46 3.849 9.113 4.911 1.00 0.00 C ATOM 665 O ASN A 46 3.349 10.170 5.292 1.00 0.00 O ATOM 666 CB ASN A 46 4.843 10.498 3.116 1.00 0.00 C ATOM 667 CG ASN A 46 5.630 11.350 4.114 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.548 11.176 5.319 1.00 0.00 O ATOM 669 ND2 ASN A 46 6.394 12.280 3.548 1.00 0.00 N ATOM 0 H ASN A 46 4.576 7.488 2.250 1.00 0.00 H new ATOM 0 HA ASN A 46 5.664 8.635 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.358 10.489 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.862 10.942 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.957 12.901 4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.417 12.373 2.532 1.00 0.00 H new ATOM 676 N ARG A 47 3.727 7.954 5.542 1.00 0.00 N ATOM 677 CA ARG A 47 2.965 7.850 6.774 1.00 0.00 C ATOM 678 C ARG A 47 3.721 6.997 7.795 1.00 0.00 C ATOM 679 O ARG A 47 4.853 6.583 7.547 1.00 0.00 O ATOM 680 CB ARG A 47 1.589 7.231 6.521 1.00 0.00 C ATOM 681 CG ARG A 47 0.513 8.313 6.409 1.00 0.00 C ATOM 682 CD ARG A 47 0.286 9.001 7.757 1.00 0.00 C ATOM 683 NE ARG A 47 -0.408 10.292 7.555 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.650 11.176 8.533 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.256 10.912 9.786 1.00 0.00 N ATOM 686 NH2 ARG A 47 -1.286 12.323 8.258 1.00 0.00 N ATOM 0 H ARG A 47 4.143 7.079 5.223 1.00 0.00 H new ATOM 0 HA ARG A 47 2.830 8.858 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.614 6.642 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.339 6.547 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.811 9.052 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.420 7.869 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.307 8.358 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.241 9.166 8.256 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.722 10.524 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.228 10.039 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.440 11.584 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.586 12.524 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.470 12.995 9.003 1.00 0.00 H new ATOM 700 N THR A 48 3.064 6.758 8.921 1.00 0.00 N ATOM 701 CA THR A 48 3.660 5.961 9.980 1.00 0.00 C ATOM 702 C THR A 48 3.045 4.561 10.004 1.00 0.00 C ATOM 703 O THR A 48 2.548 4.079 8.987 1.00 0.00 O ATOM 704 CB THR A 48 3.490 6.722 11.296 1.00 0.00 C ATOM 705 OG1 THR A 48 2.079 6.766 11.493 1.00 0.00 O ATOM 706 CG2 THR A 48 3.896 8.193 11.179 1.00 0.00 C ATOM 0 H THR A 48 2.125 7.102 9.123 1.00 0.00 H new ATOM 0 HA THR A 48 4.726 5.810 9.810 1.00 0.00 H new ATOM 0 HB THR A 48 4.086 6.242 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.880 7.241 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.756 8.687 12.141 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.944 8.259 10.886 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.278 8.682 10.426 1.00 0.00 H new ATOM 714 N GLN A 49 3.098 3.946 11.177 1.00 0.00 N ATOM 715 CA GLN A 49 2.552 2.610 11.346 1.00 0.00 C ATOM 716 C GLN A 49 1.190 2.678 12.040 1.00 0.00 C ATOM 717 O GLN A 49 0.184 2.236 11.486 1.00 0.00 O ATOM 718 CB GLN A 49 3.520 1.717 12.125 1.00 0.00 C ATOM 719 CG GLN A 49 2.860 0.389 12.500 1.00 0.00 C ATOM 720 CD GLN A 49 2.728 0.250 14.018 1.00 0.00 C ATOM 721 OE1 GLN A 49 1.824 0.783 14.639 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.678 -0.493 14.578 1.00 0.00 N ATOM 0 H GLN A 49 3.510 4.348 12.019 1.00 0.00 H new ATOM 0 HA GLN A 49 2.414 2.167 10.360 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.410 1.528 11.524 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.849 2.232 13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.874 0.326 12.039 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.450 -0.438 12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.406 -0.911 13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.678 -0.645 15.587 1.00 0.00 H new ATOM 731 N GLY A 50 1.200 3.234 13.242 1.00 0.00 N ATOM 732 CA GLY A 50 -0.022 3.365 14.017 1.00 0.00 C ATOM 733 C GLY A 50 -1.204 3.736 13.119 1.00 0.00 C ATOM 734 O GLY A 50 -2.346 3.388 13.414 1.00 0.00 O ATOM 0 H GLY A 50 2.036 3.599 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.232 2.428 14.532 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.110 4.128 14.784 1.00 0.00 H new ATOM 738 N LEU A 51 -0.888 4.438 12.040 1.00 0.00 N ATOM 739 CA LEU A 51 -1.910 4.860 11.097 1.00 0.00 C ATOM 740 C LEU A 51 -2.242 3.698 10.159 1.00 0.00 C ATOM 741 O LEU A 51 -3.353 3.170 10.188 1.00 0.00 O ATOM 742 CB LEU A 51 -1.474 6.133 10.369 1.00 0.00 C ATOM 743 CG LEU A 51 -2.324 6.541 9.164 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.865 5.814 7.898 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.812 6.322 9.443 1.00 0.00 C ATOM 0 H LEU A 51 0.061 4.725 11.798 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.829 5.120 11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.475 6.955 11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.445 6.002 10.035 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.183 7.608 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.486 6.122 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.824 6.064 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.958 4.738 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.393 6.620 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.991 5.268 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.113 6.922 10.302 1.00 0.00 H new ATOM 757 N LEU A 52 -1.260 3.334 9.348 1.00 0.00 N ATOM 758 CA LEU A 52 -1.434 2.244 8.403 1.00 0.00 C ATOM 759 C LEU A 52 -2.140 1.079 9.099 1.00 0.00 C ATOM 760 O LEU A 52 -3.037 0.462 8.527 1.00 0.00 O ATOM 761 CB LEU A 52 -0.093 1.863 7.772 1.00 0.00 C ATOM 762 CG LEU A 52 -0.069 0.546 6.994 1.00 0.00 C ATOM 763 CD1 LEU A 52 -1.066 0.576 5.833 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.348 0.213 6.523 1.00 0.00 C ATOM 0 H LEU A 52 -0.340 3.775 9.326 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.072 2.555 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.211 2.665 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.656 1.809 8.562 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.381 -0.253 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.029 -0.372 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.072 0.734 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.808 1.388 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.337 -0.728 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.712 1.009 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.006 0.120 7.387 1.00 0.00 H new ATOM 776 N SER A 53 -1.708 0.813 10.323 1.00 0.00 N ATOM 777 CA SER A 53 -2.287 -0.267 11.103 1.00 0.00 C ATOM 778 C SER A 53 -3.804 -0.090 11.195 1.00 0.00 C ATOM 779 O SER A 53 -4.555 -1.053 11.046 1.00 0.00 O ATOM 780 CB SER A 53 -1.674 -0.326 12.503 1.00 0.00 C ATOM 781 OG SER A 53 -0.875 -1.492 12.688 1.00 0.00 O ATOM 0 H SER A 53 -0.963 1.327 10.794 1.00 0.00 H new ATOM 0 HA SER A 53 -2.067 -1.208 10.600 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.064 0.562 12.669 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.470 -0.310 13.248 1.00 0.00 H new ATOM 0 HG SER A 53 -0.226 -1.563 11.957 1.00 0.00 H new ATOM 787 N GLU A 54 -4.210 1.147 11.441 1.00 0.00 N ATOM 788 CA GLU A 54 -5.624 1.462 11.555 1.00 0.00 C ATOM 789 C GLU A 54 -6.315 1.301 10.199 1.00 0.00 C ATOM 790 O GLU A 54 -7.502 0.984 10.137 1.00 0.00 O ATOM 791 CB GLU A 54 -5.829 2.872 12.110 1.00 0.00 C ATOM 792 CG GLU A 54 -6.108 3.870 10.984 1.00 0.00 C ATOM 793 CD GLU A 54 -5.825 5.303 11.439 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.948 5.458 12.316 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.492 6.212 10.899 1.00 0.00 O ATOM 0 H GLU A 54 -3.584 1.943 11.565 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.076 0.762 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.661 2.872 12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.942 3.181 12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.489 3.630 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.147 3.784 10.666 1.00 0.00 H new ATOM 802 N ILE A 55 -5.542 1.526 9.147 1.00 0.00 N ATOM 803 CA ILE A 55 -6.065 1.410 7.796 1.00 0.00 C ATOM 804 C ILE A 55 -6.249 -0.069 7.450 1.00 0.00 C ATOM 805 O ILE A 55 -6.972 -0.406 6.514 1.00 0.00 O ATOM 806 CB ILE A 55 -5.172 2.165 6.809 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.271 3.676 7.026 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.493 1.771 5.367 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.121 4.407 6.331 1.00 0.00 C ATOM 0 H ILE A 55 -4.558 1.788 9.203 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.046 1.879 7.726 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.137 1.880 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.223 4.040 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.254 3.895 8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.844 2.322 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.330 0.701 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.534 2.009 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.216 5.479 6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.171 4.058 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.156 4.205 5.260 1.00 0.00 H new ATOM 821 N LEU A 56 -5.582 -0.913 8.225 1.00 0.00 N ATOM 822 CA LEU A 56 -5.663 -2.348 8.013 1.00 0.00 C ATOM 823 C LEU A 56 -6.648 -2.952 9.016 1.00 0.00 C ATOM 824 O LEU A 56 -7.111 -4.077 8.835 1.00 0.00 O ATOM 825 CB LEU A 56 -4.270 -2.976 8.063 1.00 0.00 C ATOM 826 CG LEU A 56 -3.268 -2.472 7.022 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.830 -2.758 7.461 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.572 -3.056 5.641 1.00 0.00 C ATOM 0 H LEU A 56 -4.983 -0.630 9.001 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.049 -2.566 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.851 -2.804 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.375 -4.054 7.944 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.372 -1.390 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.138 -2.390 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.632 -2.256 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.694 -3.832 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.845 -2.682 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.513 -4.144 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.575 -2.759 5.333 1.00 0.00 H new ATOM 840 N ARG A 57 -6.937 -2.179 10.052 1.00 0.00 N ATOM 841 CA ARG A 57 -7.858 -2.625 11.084 1.00 0.00 C ATOM 842 C ARG A 57 -9.291 -2.228 10.724 1.00 0.00 C ATOM 843 O ARG A 57 -10.197 -3.059 10.759 1.00 0.00 O ATOM 844 CB ARG A 57 -7.495 -2.022 12.443 1.00 0.00 C ATOM 845 CG ARG A 57 -6.400 -2.840 13.130 1.00 0.00 C ATOM 846 CD ARG A 57 -6.781 -3.160 14.577 1.00 0.00 C ATOM 847 NE ARG A 57 -6.898 -4.624 14.758 1.00 0.00 N ATOM 848 CZ ARG A 57 -7.226 -5.214 15.916 1.00 0.00 C ATOM 849 NH1 ARG A 57 -7.472 -4.468 17.002 1.00 0.00 N ATOM 850 NH2 ARG A 57 -7.308 -6.549 15.988 1.00 0.00 N ATOM 0 H ARG A 57 -6.550 -1.247 10.199 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.784 -3.711 11.149 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.157 -0.994 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.380 -1.987 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.234 -3.767 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.461 -2.286 13.111 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.028 -2.760 15.257 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.726 -2.678 14.828 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.718 -5.221 13.951 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.410 -3.451 16.947 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.722 -4.917 17.883 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.121 -7.117 15.162 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.558 -6.998 16.869 1.00 0.00 H new ATOM 864 N LYS A 58 -9.452 -0.957 10.386 1.00 0.00 N ATOM 865 CA LYS A 58 -10.759 -0.439 10.020 1.00 0.00 C ATOM 866 C LYS A 58 -11.023 -0.731 8.542 1.00 0.00 C ATOM 867 O LYS A 58 -12.167 -0.943 8.141 1.00 0.00 O ATOM 868 CB LYS A 58 -10.870 1.043 10.383 1.00 0.00 C ATOM 869 CG LYS A 58 -10.599 1.264 11.873 1.00 0.00 C ATOM 870 CD LYS A 58 -10.136 2.698 12.139 1.00 0.00 C ATOM 871 CE LYS A 58 -9.634 2.855 13.576 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.599 3.639 14.379 1.00 0.00 N ATOM 0 H LYS A 58 -8.698 -0.270 10.358 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.540 -0.942 10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.160 1.620 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.866 1.409 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.503 1.058 12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.838 0.563 12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.341 2.963 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.960 3.389 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.490 1.873 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.664 3.351 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.243 3.736 15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.716 4.582 13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.517 3.150 14.393 1.00 0.00 H new ATOM 886 N GLU A 59 -9.946 -0.734 7.770 1.00 0.00 N ATOM 887 CA GLU A 59 -10.047 -0.997 6.345 1.00 0.00 C ATOM 888 C GLU A 59 -11.072 -0.060 5.704 1.00 0.00 C ATOM 889 O GLU A 59 -11.928 -0.501 4.938 1.00 0.00 O ATOM 890 CB GLU A 59 -10.402 -2.461 6.081 1.00 0.00 C ATOM 891 CG GLU A 59 -9.241 -3.384 6.460 1.00 0.00 C ATOM 892 CD GLU A 59 -9.446 -4.787 5.884 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.074 -5.604 6.591 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.969 -5.010 4.750 1.00 0.00 O ATOM 0 H GLU A 59 -8.999 -0.558 8.105 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.075 -0.806 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.289 -2.733 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.649 -2.595 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.305 -2.968 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.156 -3.441 7.545 1.00 0.00 H new ATOM 901 N GLU A 60 -10.952 1.216 6.039 1.00 0.00 N ATOM 902 CA GLU A 60 -11.857 2.219 5.506 1.00 0.00 C ATOM 903 C GLU A 60 -12.016 2.041 3.995 1.00 0.00 C ATOM 904 O GLU A 60 -11.122 2.393 3.227 1.00 0.00 O ATOM 905 CB GLU A 60 -11.373 3.631 5.843 1.00 0.00 C ATOM 906 CG GLU A 60 -12.283 4.289 6.882 1.00 0.00 C ATOM 907 CD GLU A 60 -12.704 5.690 6.433 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.807 6.559 6.367 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.913 5.860 6.166 1.00 0.00 O ATOM 0 H GLU A 60 -10.241 1.578 6.674 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.832 2.084 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.352 3.588 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.351 4.237 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.168 3.672 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.764 4.350 7.839 1.00 0.00 H new ATOM 916 N ASP A 61 -13.161 1.495 3.613 1.00 0.00 N ATOM 917 CA ASP A 61 -13.449 1.265 2.207 1.00 0.00 C ATOM 918 C ASP A 61 -13.040 2.499 1.399 1.00 0.00 C ATOM 919 O ASP A 61 -13.307 3.628 1.806 1.00 0.00 O ATOM 920 CB ASP A 61 -14.943 1.027 1.982 1.00 0.00 C ATOM 921 CG ASP A 61 -15.637 0.201 3.067 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.999 0.807 4.098 1.00 0.00 O ATOM 923 OD2 ASP A 61 -15.789 -1.019 2.841 1.00 0.00 O ATOM 0 H ASP A 61 -13.901 1.205 4.253 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.892 0.384 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.442 1.993 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.075 0.525 1.024 1.00 0.00 H new ATOM 928 N PRO A 62 -12.381 2.234 0.239 1.00 0.00 N ATOM 929 CA PRO A 62 -11.933 3.309 -0.629 1.00 0.00 C ATOM 930 C PRO A 62 -13.107 3.921 -1.395 1.00 0.00 C ATOM 931 O PRO A 62 -12.925 4.852 -2.178 1.00 0.00 O ATOM 932 CB PRO A 62 -10.897 2.672 -1.541 1.00 0.00 C ATOM 933 CG PRO A 62 -11.138 1.173 -1.463 1.00 0.00 C ATOM 934 CD PRO A 62 -12.048 0.908 -0.275 1.00 0.00 C ATOM 0 HA PRO A 62 -11.500 4.143 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.004 3.032 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.886 2.922 -1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.597 0.812 -2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.194 0.640 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.943 0.363 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.546 0.304 0.481 1.00 0.00 H new ATOM 942 N ARG A 63 -14.287 3.372 -1.144 1.00 0.00 N ATOM 943 CA ARG A 63 -15.491 3.853 -1.800 1.00 0.00 C ATOM 944 C ARG A 63 -16.160 4.937 -0.953 1.00 0.00 C ATOM 945 O ARG A 63 -16.777 5.856 -1.490 1.00 0.00 O ATOM 946 CB ARG A 63 -16.484 2.712 -2.032 1.00 0.00 C ATOM 947 CG ARG A 63 -15.782 1.484 -2.615 1.00 0.00 C ATOM 948 CD ARG A 63 -15.568 1.638 -4.122 1.00 0.00 C ATOM 949 NE ARG A 63 -16.214 0.518 -4.842 1.00 0.00 N ATOM 950 CZ ARG A 63 -16.276 0.419 -6.177 1.00 0.00 C ATOM 951 NH1 ARG A 63 -15.730 1.372 -6.945 1.00 0.00 N ATOM 952 NH2 ARG A 63 -16.883 -0.632 -6.744 1.00 0.00 N ATOM 0 H ARG A 63 -14.435 2.599 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.200 4.269 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.966 2.447 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.271 3.042 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.821 1.341 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.378 0.593 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.983 2.587 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.501 1.658 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.639 -0.225 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.268 2.172 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.777 1.297 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.298 -1.357 -6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.930 -0.707 -7.760 1.00 0.00 H new ATOM 966 N THR A 64 -16.015 4.795 0.356 1.00 0.00 N ATOM 967 CA THR A 64 -16.598 5.751 1.282 1.00 0.00 C ATOM 968 C THR A 64 -15.498 6.495 2.042 1.00 0.00 C ATOM 969 O THR A 64 -15.755 7.528 2.658 1.00 0.00 O ATOM 970 CB THR A 64 -17.565 4.996 2.196 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.726 4.111 2.933 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.498 4.065 1.419 1.00 0.00 C ATOM 0 H THR A 64 -15.502 4.032 0.798 1.00 0.00 H new ATOM 0 HA THR A 64 -17.162 6.520 0.754 1.00 0.00 H new ATOM 0 HB THR A 64 -18.158 5.710 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.272 3.583 3.553 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.163 3.554 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.089 4.649 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.907 3.329 0.875 1.00 0.00 H new ATOM 980 N ALA A 65 -14.297 5.940 1.975 1.00 0.00 N ATOM 981 CA ALA A 65 -13.158 6.538 2.650 1.00 0.00 C ATOM 982 C ALA A 65 -13.177 8.052 2.430 1.00 0.00 C ATOM 983 O ALA A 65 -13.857 8.543 1.531 1.00 0.00 O ATOM 984 CB ALA A 65 -11.867 5.891 2.142 1.00 0.00 C ATOM 0 H ALA A 65 -14.088 5.083 1.464 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.212 6.361 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.012 6.339 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.891 4.821 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.778 6.052 1.068 1.00 0.00 H new ATOM 990 N SER A 66 -12.421 8.749 3.266 1.00 0.00 N ATOM 991 CA SER A 66 -12.343 10.197 3.174 1.00 0.00 C ATOM 992 C SER A 66 -11.104 10.604 2.374 1.00 0.00 C ATOM 993 O SER A 66 -10.133 9.852 2.301 1.00 0.00 O ATOM 994 CB SER A 66 -12.311 10.836 4.564 1.00 0.00 C ATOM 995 OG SER A 66 -10.983 11.142 4.980 1.00 0.00 O ATOM 0 H SER A 66 -11.857 8.338 4.010 1.00 0.00 H new ATOM 0 HA SER A 66 -13.234 10.556 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.908 11.748 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.770 10.159 5.285 1.00 0.00 H new ATOM 0 HG SER A 66 -11.005 11.550 5.871 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.178 11.793 1.793 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.075 12.309 1.001 1.00 0.00 C ATOM 1003 C GLN A 67 -8.751 12.109 1.741 1.00 0.00 C ATOM 1004 O GLN A 67 -7.752 11.719 1.138 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.292 13.783 0.654 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.677 13.949 -0.817 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.353 15.300 -1.058 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.824 16.180 -1.716 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.550 15.415 -0.489 1.00 0.00 N ATOM 0 H GLN A 67 -11.985 12.414 1.855 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.033 11.752 0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.076 14.198 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.383 14.347 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.787 13.867 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.349 13.144 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.935 14.639 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.082 16.279 -0.591 1.00 0.00 H new ATOM 1018 N SER A 68 -8.786 12.384 3.037 1.00 0.00 N ATOM 1019 CA SER A 68 -7.601 12.239 3.865 1.00 0.00 C ATOM 1020 C SER A 68 -7.040 10.822 3.732 1.00 0.00 C ATOM 1021 O SER A 68 -5.825 10.632 3.695 1.00 0.00 O ATOM 1022 CB SER A 68 -7.912 12.550 5.330 1.00 0.00 C ATOM 1023 OG SER A 68 -6.868 13.295 5.951 1.00 0.00 O ATOM 0 H SER A 68 -9.617 12.706 3.534 1.00 0.00 H new ATOM 0 HA SER A 68 -6.853 12.953 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.844 13.112 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.065 11.618 5.874 1.00 0.00 H new ATOM 0 HG SER A 68 -7.105 13.475 6.885 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.951 9.862 3.663 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.562 8.468 3.534 1.00 0.00 C ATOM 1031 C LEU A 69 -7.318 8.145 2.059 1.00 0.00 C ATOM 1032 O LEU A 69 -6.256 7.640 1.697 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.597 7.559 4.199 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.042 6.346 4.948 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.083 5.774 5.913 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.525 5.288 3.971 1.00 0.00 C ATOM 0 H LEU A 69 -8.958 10.022 3.694 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.625 8.284 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.181 8.157 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.285 7.204 3.432 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.193 6.674 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.663 4.913 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.362 6.536 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.966 5.465 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.136 4.436 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.340 4.958 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.730 5.715 3.360 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.318 8.451 1.246 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.226 8.200 -0.183 1.00 0.00 C ATOM 1050 C LEU A 70 -6.860 8.667 -0.691 1.00 0.00 C ATOM 1051 O LEU A 70 -6.216 7.974 -1.476 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.406 8.839 -0.917 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.618 7.935 -1.153 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.851 8.758 -1.529 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.306 6.860 -2.196 1.00 0.00 C ATOM 0 H LEU A 70 -9.197 8.871 1.549 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.295 7.132 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.733 9.710 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.054 9.201 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.847 7.421 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.698 8.091 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.085 9.452 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.650 9.318 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.184 6.232 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.036 7.335 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.475 6.246 -1.848 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.459 9.839 -0.221 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.182 10.407 -0.618 1.00 0.00 C ATOM 1069 C VAL A 71 -4.075 9.377 -0.382 1.00 0.00 C ATOM 1070 O VAL A 71 -3.163 9.243 -1.197 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.941 11.724 0.123 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.449 12.055 0.182 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.732 12.866 -0.517 1.00 0.00 C ATOM 0 H VAL A 71 -6.996 10.411 0.431 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.184 10.644 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.297 11.603 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.306 12.996 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.920 11.258 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.056 12.147 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.543 13.790 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.421 12.987 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.797 12.635 -0.482 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.192 8.676 0.736 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.213 7.662 1.089 1.00 0.00 C ATOM 1085 C ASN A 72 -3.475 6.398 0.267 1.00 0.00 C ATOM 1086 O ASN A 72 -2.558 5.849 -0.343 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.314 7.292 2.570 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.529 8.537 3.433 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -3.028 9.613 3.152 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.300 8.331 4.497 1.00 0.00 N ATOM 0 H ASN A 72 -4.950 8.790 1.409 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.221 8.065 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.139 6.595 2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.404 6.781 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.503 9.100 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.688 7.404 4.674 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.730 5.974 0.277 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.123 4.785 -0.460 1.00 0.00 C ATOM 1099 C LEU A 73 -4.526 4.841 -1.867 1.00 0.00 C ATOM 1100 O LEU A 73 -3.848 3.908 -2.295 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.645 4.623 -0.443 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.302 4.597 0.938 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.823 4.480 0.820 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.708 3.486 1.806 1.00 0.00 C ATOM 0 H LEU A 73 -5.488 6.432 0.783 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.725 3.891 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.084 5.439 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.898 3.698 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.090 5.544 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.265 4.464 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.212 5.334 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.077 3.559 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.192 3.489 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.870 2.522 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.638 3.654 1.931 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.799 5.945 -2.547 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.296 6.135 -3.897 1.00 0.00 C ATOM 1118 C ARG A 74 -2.771 6.021 -3.917 1.00 0.00 C ATOM 1119 O ARG A 74 -2.207 5.348 -4.779 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.706 7.502 -4.450 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.022 7.409 -5.224 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.715 8.771 -5.294 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.641 8.810 -6.448 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.624 9.708 -6.592 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.816 10.648 -5.656 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.416 9.667 -7.672 1.00 0.00 N ATOM 0 H ARG A 74 -5.362 6.717 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.730 5.357 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.812 8.213 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.922 7.884 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.830 7.043 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.681 6.686 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.264 8.957 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.971 9.562 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.523 8.109 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.213 10.680 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.565 11.332 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.270 8.952 -8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.165 10.351 -7.782 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.147 6.688 -2.958 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.697 6.669 -2.854 1.00 0.00 C ATOM 1142 C ALA A 75 -0.221 5.224 -2.691 1.00 0.00 C ATOM 1143 O ALA A 75 0.693 4.786 -3.388 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.257 7.563 -1.694 1.00 0.00 C ATOM 0 H ALA A 75 -2.618 7.245 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.241 7.065 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.830 7.549 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.595 8.584 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.692 7.194 -0.765 1.00 0.00 H new ATOM 1150 N MET A 76 -0.861 4.524 -1.766 1.00 0.00 N ATOM 1151 CA MET A 76 -0.514 3.138 -1.502 1.00 0.00 C ATOM 1152 C MET A 76 -0.592 2.301 -2.780 1.00 0.00 C ATOM 1153 O MET A 76 0.422 1.793 -3.257 1.00 0.00 O ATOM 1154 CB MET A 76 -1.469 2.563 -0.455 1.00 0.00 C ATOM 1155 CG MET A 76 -1.110 3.060 0.947 1.00 0.00 C ATOM 1156 SD MET A 76 -2.212 2.338 2.151 1.00 0.00 S ATOM 1157 CE MET A 76 -3.253 3.745 2.501 1.00 0.00 C ATOM 0 H MET A 76 -1.618 4.891 -1.190 1.00 0.00 H new ATOM 0 HA MET A 76 0.510 3.104 -1.130 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.493 2.850 -0.695 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.429 1.474 -0.480 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.079 2.797 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.178 4.147 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.125 3.420 3.069 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.692 4.477 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.579 4.199 1.565 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.806 2.183 -3.299 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.030 1.415 -4.512 1.00 0.00 C ATOM 1169 C GLN A 77 -1.050 1.850 -5.603 1.00 0.00 C ATOM 1170 O GLN A 77 -0.672 1.050 -6.458 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.477 1.553 -4.988 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.716 0.735 -6.259 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.594 -0.484 -5.970 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.645 -0.678 -6.558 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.106 -1.292 -5.034 1.00 0.00 N ATOM 0 H GLN A 77 -2.644 2.606 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.854 0.362 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.155 1.219 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.703 2.602 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.193 1.360 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.761 0.410 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.219 -1.071 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.618 -2.133 -4.769 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.665 3.116 -5.539 1.00 0.00 N ATOM 1185 CA ASN A 78 0.264 3.667 -6.511 1.00 0.00 C ATOM 1186 C ASN A 78 1.653 3.070 -6.277 1.00 0.00 C ATOM 1187 O ASN A 78 2.384 2.800 -7.228 1.00 0.00 O ATOM 1188 CB ASN A 78 0.372 5.187 -6.370 1.00 0.00 C ATOM 1189 CG ASN A 78 1.077 5.801 -7.581 1.00 0.00 C ATOM 1190 OD1 ASN A 78 1.296 5.159 -8.595 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.419 7.076 -7.418 1.00 0.00 N ATOM 0 H ASN A 78 -0.980 3.777 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.106 3.423 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.624 5.618 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.921 5.433 -5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.895 7.576 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.205 7.553 -6.542 1.00 0.00 H new ATOM 1198 N PHE A 79 1.975 2.882 -5.006 1.00 0.00 N ATOM 1199 CA PHE A 79 3.263 2.322 -4.635 1.00 0.00 C ATOM 1200 C PHE A 79 3.290 0.810 -4.862 1.00 0.00 C ATOM 1201 O PHE A 79 4.309 0.258 -5.274 1.00 0.00 O ATOM 1202 CB PHE A 79 3.462 2.607 -3.145 1.00 0.00 C ATOM 1203 CG PHE A 79 4.611 1.820 -2.509 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.899 2.155 -2.785 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.342 0.785 -1.668 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.965 1.426 -2.195 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.408 0.055 -1.078 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.697 0.391 -1.354 1.00 0.00 C ATOM 0 H PHE A 79 1.366 3.108 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 79 4.051 2.767 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.647 3.673 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.539 2.375 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.112 2.976 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.319 0.519 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.988 1.693 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.195 -0.767 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.508 -0.164 -0.905 1.00 0.00 H new ATOM 1218 N LEU A 80 2.157 0.182 -4.582 1.00 0.00 N ATOM 1219 CA LEU A 80 2.037 -1.257 -4.750 1.00 0.00 C ATOM 1220 C LEU A 80 2.014 -1.591 -6.243 1.00 0.00 C ATOM 1221 O LEU A 80 2.164 -2.750 -6.625 1.00 0.00 O ATOM 1222 CB LEU A 80 0.825 -1.787 -3.982 1.00 0.00 C ATOM 1223 CG LEU A 80 0.834 -1.551 -2.470 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.547 -1.818 -1.866 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.926 -2.380 -1.791 1.00 0.00 C ATOM 0 H LEU A 80 1.314 0.643 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 80 2.902 -1.764 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.072 -1.327 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.746 -2.859 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 80 1.068 -0.502 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.514 -1.643 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.278 -1.149 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.834 -2.852 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.910 -2.193 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.748 -3.439 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.899 -2.099 -2.194 1.00 0.00 H new ATOM 1237 N ASN A 81 1.823 -0.555 -7.046 1.00 0.00 N ATOM 1238 CA ASN A 81 1.778 -0.724 -8.488 1.00 0.00 C ATOM 1239 C ASN A 81 3.204 -0.727 -9.042 1.00 0.00 C ATOM 1240 O ASN A 81 3.457 -1.278 -10.112 1.00 0.00 O ATOM 1241 CB ASN A 81 1.015 0.423 -9.154 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.494 0.271 -8.946 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.987 -0.760 -8.520 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -1.196 1.353 -9.271 1.00 0.00 N ATOM 0 H ASN A 81 1.698 0.405 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 81 1.272 -1.666 -8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.349 1.375 -8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.239 0.443 -10.221 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.211 1.352 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.719 2.184 -9.622 1.00 0.00 H new ATOM 1251 N LEU A 82 4.099 -0.105 -8.288 1.00 0.00 N ATOM 1252 CA LEU A 82 5.493 -0.029 -8.690 1.00 0.00 C ATOM 1253 C LEU A 82 6.038 -1.444 -8.897 1.00 0.00 C ATOM 1254 O LEU A 82 5.456 -2.413 -8.413 1.00 0.00 O ATOM 1255 CB LEU A 82 6.297 0.798 -7.685 1.00 0.00 C ATOM 1256 CG LEU A 82 6.218 2.317 -7.851 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.111 3.027 -6.832 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.548 2.729 -9.287 1.00 0.00 C ATOM 0 H LEU A 82 3.886 0.351 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 82 5.586 0.492 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.957 0.544 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.343 0.499 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 82 5.193 2.629 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.036 4.105 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.789 2.769 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.145 2.714 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.485 3.813 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.558 2.402 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.837 2.265 -9.971 1.00 0.00 H new ATOM 1270 N PRO A 83 7.177 -1.519 -9.636 1.00 0.00 N ATOM 1271 CA PRO A 83 7.807 -2.799 -9.913 1.00 0.00 C ATOM 1272 C PRO A 83 8.532 -3.332 -8.676 1.00 0.00 C ATOM 1273 O PRO A 83 9.166 -2.570 -7.947 1.00 0.00 O ATOM 1274 CB PRO A 83 8.742 -2.533 -11.081 1.00 0.00 C ATOM 1275 CG PRO A 83 8.949 -1.027 -11.114 1.00 0.00 C ATOM 1276 CD PRO A 83 7.894 -0.391 -10.225 1.00 0.00 C ATOM 0 HA PRO A 83 7.086 -3.576 -10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.690 -3.055 -10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.310 -2.889 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.949 -0.772 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.864 -0.653 -12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.348 0.234 -9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.224 0.247 -10.800 1.00 0.00 H new ATOM 1284 N GLU A 84 8.416 -4.636 -8.477 1.00 0.00 N ATOM 1285 CA GLU A 84 9.052 -5.280 -7.341 1.00 0.00 C ATOM 1286 C GLU A 84 10.465 -4.727 -7.140 1.00 0.00 C ATOM 1287 O GLU A 84 10.876 -4.460 -6.012 1.00 0.00 O ATOM 1288 CB GLU A 84 9.079 -6.800 -7.516 1.00 0.00 C ATOM 1289 CG GLU A 84 9.215 -7.180 -8.992 1.00 0.00 C ATOM 1290 CD GLU A 84 10.135 -8.391 -9.163 1.00 0.00 C ATOM 1291 OE1 GLU A 84 11.091 -8.495 -8.365 1.00 0.00 O ATOM 1292 OE2 GLU A 84 9.861 -9.184 -10.090 1.00 0.00 O ATOM 0 H GLU A 84 7.890 -5.265 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 84 8.466 -5.060 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.911 -7.220 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.166 -7.233 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.232 -7.404 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.612 -6.335 -9.554 1.00 0.00 H new ATOM 1299 N VAL A 85 11.168 -4.571 -8.252 1.00 0.00 N ATOM 1300 CA VAL A 85 12.526 -4.054 -8.212 1.00 0.00 C ATOM 1301 C VAL A 85 12.539 -2.727 -7.450 1.00 0.00 C ATOM 1302 O VAL A 85 13.442 -2.473 -6.655 1.00 0.00 O ATOM 1303 CB VAL A 85 13.082 -3.934 -9.632 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.618 -5.103 -10.503 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.695 -2.594 -10.261 1.00 0.00 C ATOM 0 H VAL A 85 10.823 -4.793 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 85 13.182 -4.742 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 85 14.170 -3.973 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.027 -4.993 -11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.966 -6.040 -10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.529 -5.109 -10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.103 -2.534 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.609 -2.512 -10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.097 -1.780 -9.658 1.00 0.00 H new ATOM 1315 N GLU A 86 11.527 -1.915 -7.721 1.00 0.00 N ATOM 1316 CA GLU A 86 11.412 -0.621 -7.072 1.00 0.00 C ATOM 1317 C GLU A 86 11.136 -0.800 -5.577 1.00 0.00 C ATOM 1318 O GLU A 86 11.923 -0.360 -4.740 1.00 0.00 O ATOM 1319 CB GLU A 86 10.324 0.229 -7.732 1.00 0.00 C ATOM 1320 CG GLU A 86 10.899 1.057 -8.883 1.00 0.00 C ATOM 1321 CD GLU A 86 9.912 2.139 -9.326 1.00 0.00 C ATOM 1322 OE1 GLU A 86 9.658 3.046 -8.504 1.00 0.00 O ATOM 1323 OE2 GLU A 86 9.434 2.035 -10.476 1.00 0.00 O ATOM 0 H GLU A 86 10.780 -2.129 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 86 12.359 -0.093 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.529 -0.417 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.875 0.891 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.835 1.520 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.131 0.405 -9.725 1.00 0.00 H new ATOM 1330 N ARG A 87 10.016 -1.446 -5.288 1.00 0.00 N ATOM 1331 CA ARG A 87 9.627 -1.688 -3.909 1.00 0.00 C ATOM 1332 C ARG A 87 10.757 -2.391 -3.154 1.00 0.00 C ATOM 1333 O ARG A 87 11.084 -2.016 -2.029 1.00 0.00 O ATOM 1334 CB ARG A 87 8.363 -2.547 -3.836 1.00 0.00 C ATOM 1335 CG ARG A 87 7.328 -2.087 -4.865 1.00 0.00 C ATOM 1336 CD ARG A 87 5.916 -2.505 -4.447 1.00 0.00 C ATOM 1337 NE ARG A 87 5.542 -3.768 -5.122 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.921 -4.984 -4.706 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.687 -5.109 -3.613 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.533 -6.074 -5.381 1.00 0.00 N ATOM 0 H ARG A 87 9.366 -1.809 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 87 9.423 -0.722 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.618 -3.592 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.936 -2.489 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.374 -1.003 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.564 -2.514 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.871 -2.634 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.204 -1.721 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 87 4.959 -3.709 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.981 -4.279 -3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.976 -6.034 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.949 -5.978 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.822 -7.000 -5.064 1.00 0.00 H new ATOM 1354 N ASP A 88 11.323 -3.398 -3.804 1.00 0.00 N ATOM 1355 CA ASP A 88 12.409 -4.156 -3.208 1.00 0.00 C ATOM 1356 C ASP A 88 13.500 -3.192 -2.736 1.00 0.00 C ATOM 1357 O ASP A 88 13.887 -3.211 -1.568 1.00 0.00 O ATOM 1358 CB ASP A 88 13.033 -5.115 -4.223 1.00 0.00 C ATOM 1359 CG ASP A 88 14.324 -5.795 -3.763 1.00 0.00 C ATOM 1360 OD1 ASP A 88 14.564 -5.785 -2.536 1.00 0.00 O ATOM 1361 OD2 ASP A 88 15.042 -6.309 -4.648 1.00 0.00 O ATOM 0 H ASP A 88 11.049 -3.706 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 88 12.003 -4.728 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.302 -5.885 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.237 -4.565 -5.142 1.00 0.00 H new ATOM 1366 N ARG A 89 13.964 -2.373 -3.667 1.00 0.00 N ATOM 1367 CA ARG A 89 15.002 -1.403 -3.361 1.00 0.00 C ATOM 1368 C ARG A 89 14.464 -0.331 -2.411 1.00 0.00 C ATOM 1369 O ARG A 89 15.111 0.008 -1.421 1.00 0.00 O ATOM 1370 CB ARG A 89 15.522 -0.732 -4.634 1.00 0.00 C ATOM 1371 CG ARG A 89 17.014 -1.007 -4.829 1.00 0.00 C ATOM 1372 CD ARG A 89 17.382 -1.004 -6.314 1.00 0.00 C ATOM 1373 NE ARG A 89 18.813 -1.345 -6.481 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.814 -0.460 -6.371 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.546 0.823 -6.093 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.082 -0.859 -6.539 1.00 0.00 N ATOM 0 H ARG A 89 13.641 -2.361 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 89 15.824 -1.937 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.965 -1.099 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.351 0.343 -4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.598 -0.251 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.270 -1.971 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.763 -1.722 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.180 -0.023 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 89 19.052 -2.314 -6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.581 1.126 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.307 1.496 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.285 -1.836 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.844 -0.186 -6.455 1.00 0.00 H new ATOM 1390 N ILE A 90 13.285 0.172 -2.745 1.00 0.00 N ATOM 1391 CA ILE A 90 12.652 1.198 -1.933 1.00 0.00 C ATOM 1392 C ILE A 90 12.700 0.781 -0.462 1.00 0.00 C ATOM 1393 O ILE A 90 13.237 1.504 0.375 1.00 0.00 O ATOM 1394 CB ILE A 90 11.240 1.490 -2.444 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.283 2.252 -3.770 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.415 2.226 -1.386 1.00 0.00 C ATOM 1397 CD1 ILE A 90 9.914 2.239 -4.455 1.00 0.00 C ATOM 0 H ILE A 90 12.751 -0.111 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 90 13.197 2.139 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 90 10.743 0.539 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.595 3.281 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.027 1.803 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.416 2.421 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.342 1.611 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.899 3.171 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.972 2.787 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.616 1.209 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.177 2.711 -3.805 1.00 0.00 H new ATOM 1409 N TYR A 91 12.132 -0.385 -0.192 1.00 0.00 N ATOM 1410 CA TYR A 91 12.103 -0.908 1.163 1.00 0.00 C ATOM 1411 C TYR A 91 13.505 -0.925 1.774 1.00 0.00 C ATOM 1412 O TYR A 91 13.697 -0.490 2.909 1.00 0.00 O ATOM 1413 CB TYR A 91 11.591 -2.345 1.050 1.00 0.00 C ATOM 1414 CG TYR A 91 10.123 -2.452 0.633 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.175 -1.644 1.228 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.746 -3.357 -0.339 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.794 -1.745 0.835 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.365 -3.457 -0.732 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.457 -2.646 -0.126 1.00 0.00 C ATOM 1420 OH TYR A 91 6.152 -2.741 -0.497 1.00 0.00 O ATOM 0 H TYR A 91 11.688 -0.983 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 91 11.472 -0.289 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.204 -2.882 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.722 -2.843 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.470 -0.936 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.487 -3.990 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.042 -1.119 1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.057 -4.160 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 91 5.920 -1.983 -1.073 1.00 0.00 H new ATOM 1430 N GLN A 92 14.449 -1.432 0.995 1.00 0.00 N ATOM 1431 CA GLN A 92 15.828 -1.511 1.445 1.00 0.00 C ATOM 1432 C GLN A 92 16.362 -0.115 1.771 1.00 0.00 C ATOM 1433 O GLN A 92 17.050 0.073 2.774 1.00 0.00 O ATOM 1434 CB GLN A 92 16.707 -2.204 0.401 1.00 0.00 C ATOM 1435 CG GLN A 92 18.191 -2.012 0.720 1.00 0.00 C ATOM 1436 CD GLN A 92 18.593 -2.810 1.962 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.723 -2.283 3.054 1.00 0.00 O ATOM 1438 NE2 GLN A 92 18.782 -4.106 1.734 1.00 0.00 N ATOM 0 H GLN A 92 14.286 -1.792 0.055 1.00 0.00 H new ATOM 0 HA GLN A 92 15.858 -2.111 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.472 -3.268 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.489 -1.802 -0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.794 -2.329 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.398 -0.954 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.656 -4.482 0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.053 -4.724 2.499 1.00 0.00 H new ATOM 1447 N ASP A 93 16.024 0.830 0.905 1.00 0.00 N ATOM 1448 CA ASP A 93 16.460 2.204 1.089 1.00 0.00 C ATOM 1449 C ASP A 93 15.896 2.742 2.405 1.00 0.00 C ATOM 1450 O ASP A 93 16.599 3.416 3.156 1.00 0.00 O ATOM 1451 CB ASP A 93 15.954 3.098 -0.044 1.00 0.00 C ATOM 1452 CG ASP A 93 17.048 3.750 -0.892 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.056 4.175 -0.289 1.00 0.00 O ATOM 1454 OD2 ASP A 93 16.851 3.807 -2.126 1.00 0.00 O ATOM 0 H ASP A 93 15.454 0.671 0.075 1.00 0.00 H new ATOM 0 HA ASP A 93 17.550 2.214 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.315 2.504 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.331 3.883 0.384 1.00 0.00 H new ATOM 1459 N GLU A 94 14.632 2.424 2.644 1.00 0.00 N ATOM 1460 CA GLU A 94 13.965 2.868 3.856 1.00 0.00 C ATOM 1461 C GLU A 94 14.705 2.346 5.090 1.00 0.00 C ATOM 1462 O GLU A 94 15.141 3.128 5.934 1.00 0.00 O ATOM 1463 CB GLU A 94 12.500 2.428 3.869 1.00 0.00 C ATOM 1464 CG GLU A 94 11.585 3.581 4.284 1.00 0.00 C ATOM 1465 CD GLU A 94 11.672 3.836 5.790 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.641 3.329 6.396 1.00 0.00 O ATOM 1467 OE2 GLU A 94 10.769 4.531 6.302 1.00 0.00 O ATOM 0 H GLU A 94 14.052 1.864 2.019 1.00 0.00 H new ATOM 0 HA GLU A 94 13.983 3.958 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.215 2.071 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.374 1.593 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.864 4.485 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.556 3.350 4.010 1.00 0.00 H new