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 25 GLN : amide:sc= -0.448 K(o=-4.2,f=-3.2) USER MOD Set 1.2: A 77 GLN : amide:sc= -3.71! C(o=-4.2!,f=-10!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 44:sc= -2.8! USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0125) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 46 ASN : amide:sc= -3.99! C(o=-4!,f=-13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 49 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.8) USER MOD Single : A 76 MET CE :methyl 180:sc= -4.82! (180deg=-4.82!) USER MOD Single : A 78 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.58) USER MOD Single : A 81 ASN : amide:sc= -0.905 K(o=-0.9,f=-1.9!) USER MOD Single : A 91 TYR OH : rot 71:sc= 0.622! USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.358 2.241 -7.144 1.00 0.00 N ATOM 213 CA VAL A 18 -7.887 1.555 -5.953 1.00 0.00 C ATOM 214 C VAL A 18 -8.657 0.243 -5.787 1.00 0.00 C ATOM 215 O VAL A 18 -9.856 0.185 -6.054 1.00 0.00 O ATOM 216 CB VAL A 18 -8.006 2.476 -4.737 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.858 1.687 -3.435 1.00 0.00 C ATOM 218 CG2 VAL A 18 -6.985 3.613 -4.809 1.00 0.00 C ATOM 0 HA VAL A 18 -6.831 1.302 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.002 2.919 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.947 2.365 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.640 0.930 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.882 1.203 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.091 4.253 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.978 3.197 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.158 4.201 -5.711 1.00 0.00 H new ATOM 228 N SER A 19 -7.935 -0.778 -5.347 1.00 0.00 N ATOM 229 CA SER A 19 -8.535 -2.085 -5.143 1.00 0.00 C ATOM 230 C SER A 19 -9.173 -2.156 -3.754 1.00 0.00 C ATOM 231 O SER A 19 -8.726 -1.484 -2.826 1.00 0.00 O ATOM 232 CB SER A 19 -7.500 -3.198 -5.309 1.00 0.00 C ATOM 233 OG SER A 19 -7.818 -4.066 -6.393 1.00 0.00 O ATOM 0 H SER A 19 -6.941 -0.726 -5.126 1.00 0.00 H new ATOM 0 HA SER A 19 -9.307 -2.229 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.517 -2.757 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.439 -3.777 -4.387 1.00 0.00 H new ATOM 0 HG SER A 19 -7.132 -4.762 -6.467 1.00 0.00 H new ATOM 239 N PRO A 20 -10.236 -2.999 -3.652 1.00 0.00 N ATOM 240 CA PRO A 20 -10.940 -3.167 -2.392 1.00 0.00 C ATOM 241 C PRO A 20 -10.125 -4.021 -1.418 1.00 0.00 C ATOM 242 O PRO A 20 -10.428 -4.071 -0.227 1.00 0.00 O ATOM 243 CB PRO A 20 -12.270 -3.799 -2.766 1.00 0.00 C ATOM 244 CG PRO A 20 -12.077 -4.387 -4.154 1.00 0.00 C ATOM 245 CD PRO A 20 -10.793 -3.811 -4.729 1.00 0.00 C ATOM 0 HA PRO A 20 -11.096 -2.224 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.550 -4.572 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.069 -3.058 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.019 -5.474 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.925 -4.143 -4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.103 -4.601 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.991 -3.210 -5.616 1.00 0.00 H new ATOM 253 N ASP A 21 -9.106 -4.671 -1.961 1.00 0.00 N ATOM 254 CA ASP A 21 -8.245 -5.520 -1.156 1.00 0.00 C ATOM 255 C ASP A 21 -6.927 -4.793 -0.885 1.00 0.00 C ATOM 256 O ASP A 21 -5.951 -5.407 -0.456 1.00 0.00 O ATOM 257 CB ASP A 21 -7.924 -6.827 -1.883 1.00 0.00 C ATOM 258 CG ASP A 21 -9.143 -7.659 -2.288 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.163 -7.556 -1.573 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.027 -8.379 -3.303 1.00 0.00 O ATOM 0 H ASP A 21 -8.857 -4.627 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.768 -5.744 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.348 -6.595 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.285 -7.434 -1.242 1.00 0.00 H new ATOM 265 N ILE A 22 -6.940 -3.494 -1.148 1.00 0.00 N ATOM 266 CA ILE A 22 -5.757 -2.677 -0.939 1.00 0.00 C ATOM 267 C ILE A 22 -5.148 -3.008 0.425 1.00 0.00 C ATOM 268 O ILE A 22 -3.930 -2.969 0.591 1.00 0.00 O ATOM 269 CB ILE A 22 -6.091 -1.195 -1.119 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.879 -0.316 -0.802 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.316 -0.804 -0.289 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.972 -0.171 -2.025 1.00 0.00 C ATOM 0 H ILE A 22 -7.751 -2.988 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.000 -2.904 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.344 -1.027 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.215 0.668 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.316 -0.751 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.532 0.254 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.174 -1.396 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.116 -0.991 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.119 0.458 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.619 -1.155 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.532 0.287 -2.841 1.00 0.00 H new ATOM 284 N TYR A 23 -6.023 -3.327 1.367 1.00 0.00 N ATOM 285 CA TYR A 23 -5.587 -3.665 2.711 1.00 0.00 C ATOM 286 C TYR A 23 -4.784 -4.968 2.715 1.00 0.00 C ATOM 287 O TYR A 23 -3.660 -5.006 3.213 1.00 0.00 O ATOM 288 CB TYR A 23 -6.863 -3.865 3.531 1.00 0.00 C ATOM 289 CG TYR A 23 -7.927 -2.790 3.297 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.848 -1.584 3.963 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.966 -3.028 2.420 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.850 -0.573 3.743 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.968 -2.017 2.200 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.860 -0.839 2.872 1.00 0.00 C ATOM 295 OH TYR A 23 -10.806 0.116 2.664 1.00 0.00 O ATOM 0 H TYR A 23 -7.033 -3.359 1.226 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.948 -2.880 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.287 -4.840 3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.604 -3.881 4.590 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.035 -1.398 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.028 -3.972 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.800 0.375 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.787 -2.190 1.517 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.373 0.989 2.565 1.00 0.00 H new ATOM 305 N GLN A 24 -5.392 -6.002 2.154 1.00 0.00 N ATOM 306 CA GLN A 24 -4.747 -7.303 2.086 1.00 0.00 C ATOM 307 C GLN A 24 -3.454 -7.213 1.274 1.00 0.00 C ATOM 308 O GLN A 24 -2.470 -7.881 1.590 1.00 0.00 O ATOM 309 CB GLN A 24 -5.692 -8.353 1.499 1.00 0.00 C ATOM 310 CG GLN A 24 -5.036 -9.736 1.488 1.00 0.00 C ATOM 311 CD GLN A 24 -5.951 -10.771 0.830 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.796 -10.458 0.008 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.735 -12.019 1.237 1.00 0.00 N ATOM 0 H GLN A 24 -6.324 -5.966 1.742 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.495 -7.615 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.611 -8.387 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.970 -8.070 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.089 -9.689 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.809 -10.043 2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.011 -12.212 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.294 -12.783 0.857 1.00 0.00 H new ATOM 322 N GLN A 25 -3.496 -6.382 0.243 1.00 0.00 N ATOM 323 CA GLN A 25 -2.340 -6.196 -0.616 1.00 0.00 C ATOM 324 C GLN A 25 -1.139 -5.722 0.204 1.00 0.00 C ATOM 325 O GLN A 25 -0.085 -6.356 0.191 1.00 0.00 O ATOM 326 CB GLN A 25 -2.651 -5.215 -1.749 1.00 0.00 C ATOM 327 CG GLN A 25 -3.550 -5.863 -2.804 1.00 0.00 C ATOM 328 CD GLN A 25 -3.180 -5.385 -4.209 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.513 -6.067 -4.970 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.649 -4.177 -4.510 1.00 0.00 N ATOM 0 H GLN A 25 -4.313 -5.830 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.090 -7.156 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.140 -4.329 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.722 -4.883 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.457 -6.948 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.592 -5.621 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.201 -3.659 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.456 -3.768 -5.425 1.00 0.00 H new ATOM 339 N VAL A 26 -1.338 -4.611 0.899 1.00 0.00 N ATOM 340 CA VAL A 26 -0.285 -4.045 1.724 1.00 0.00 C ATOM 341 C VAL A 26 0.316 -5.145 2.602 1.00 0.00 C ATOM 342 O VAL A 26 1.506 -5.442 2.505 1.00 0.00 O ATOM 343 CB VAL A 26 -0.830 -2.866 2.532 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.212 -2.358 3.532 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.299 -1.740 1.610 1.00 0.00 C ATOM 0 H VAL A 26 -2.214 -4.088 0.907 1.00 0.00 H new ATOM 0 HA VAL A 26 0.518 -3.651 1.101 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.693 -3.218 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.201 -1.520 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.477 -3.160 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.103 -2.032 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.682 -0.914 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.461 -1.392 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.089 -2.110 0.956 1.00 0.00 H new ATOM 355 N ARG A 27 -0.535 -5.720 3.440 1.00 0.00 N ATOM 356 CA ARG A 27 -0.103 -6.780 4.334 1.00 0.00 C ATOM 357 C ARG A 27 0.827 -7.748 3.600 1.00 0.00 C ATOM 358 O ARG A 27 1.987 -7.906 3.976 1.00 0.00 O ATOM 359 CB ARG A 27 -1.300 -7.555 4.889 1.00 0.00 C ATOM 360 CG ARG A 27 -2.152 -6.670 5.800 1.00 0.00 C ATOM 361 CD ARG A 27 -3.559 -7.247 5.966 1.00 0.00 C ATOM 362 NE ARG A 27 -3.914 -7.311 7.401 1.00 0.00 N ATOM 363 CZ ARG A 27 -5.047 -7.851 7.871 1.00 0.00 C ATOM 364 NH1 ARG A 27 -5.942 -8.376 7.023 1.00 0.00 N ATOM 365 NH2 ARG A 27 -5.286 -7.865 9.190 1.00 0.00 N ATOM 0 H ARG A 27 -1.521 -5.471 3.518 1.00 0.00 H new ATOM 0 HA ARG A 27 0.431 -6.317 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.909 -7.928 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.949 -8.424 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.675 -6.580 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.214 -5.665 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.280 -6.628 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.607 -8.243 5.526 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.255 -6.920 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.761 -8.365 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.804 -8.787 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.606 -7.465 9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.148 -8.276 9.548 1.00 0.00 H new ATOM 379 N ASP A 28 0.282 -8.371 2.565 1.00 0.00 N ATOM 380 CA ASP A 28 1.048 -9.320 1.775 1.00 0.00 C ATOM 381 C ASP A 28 2.357 -8.665 1.329 1.00 0.00 C ATOM 382 O ASP A 28 3.421 -9.277 1.412 1.00 0.00 O ATOM 383 CB ASP A 28 0.279 -9.740 0.521 1.00 0.00 C ATOM 384 CG ASP A 28 0.734 -11.060 -0.105 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.643 -10.999 -0.961 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.163 -12.101 0.287 1.00 0.00 O ATOM 0 H ASP A 28 -0.681 -8.237 2.255 1.00 0.00 H new ATOM 0 HA ASP A 28 1.238 -10.198 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.779 -9.820 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.371 -8.951 -0.225 1.00 0.00 H new ATOM 391 N GLU A 29 2.236 -7.430 0.865 1.00 0.00 N ATOM 392 CA GLU A 29 3.397 -6.686 0.405 1.00 0.00 C ATOM 393 C GLU A 29 4.470 -6.651 1.495 1.00 0.00 C ATOM 394 O GLU A 29 5.643 -6.905 1.224 1.00 0.00 O ATOM 395 CB GLU A 29 3.005 -5.271 -0.025 1.00 0.00 C ATOM 396 CG GLU A 29 3.979 -4.727 -1.073 1.00 0.00 C ATOM 397 CD GLU A 29 3.897 -5.537 -2.369 1.00 0.00 C ATOM 398 OE1 GLU A 29 4.648 -6.532 -2.464 1.00 0.00 O ATOM 399 OE2 GLU A 29 3.087 -5.142 -3.234 1.00 0.00 O ATOM 0 H GLU A 29 1.352 -6.926 0.798 1.00 0.00 H new ATOM 0 HA GLU A 29 3.809 -7.194 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.994 -5.278 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.995 -4.613 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.751 -3.681 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.996 -4.761 -0.682 1.00 0.00 H new ATOM 406 N LEU A 30 4.030 -6.334 2.704 1.00 0.00 N ATOM 407 CA LEU A 30 4.939 -6.262 3.836 1.00 0.00 C ATOM 408 C LEU A 30 5.500 -7.656 4.123 1.00 0.00 C ATOM 409 O LEU A 30 6.679 -7.800 4.445 1.00 0.00 O ATOM 410 CB LEU A 30 4.247 -5.618 5.039 1.00 0.00 C ATOM 411 CG LEU A 30 3.480 -4.324 4.758 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.420 -4.071 5.832 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.439 -3.141 4.609 1.00 0.00 C ATOM 0 H LEU A 30 3.056 -6.124 2.925 1.00 0.00 H new ATOM 0 HA LEU A 30 5.787 -5.618 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.553 -6.343 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.000 -5.413 5.799 1.00 0.00 H new ATOM 0 HG LEU A 30 2.956 -4.436 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.889 -3.145 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.713 -4.900 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.902 -3.987 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.869 -2.233 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.009 -3.017 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.123 -3.329 3.781 1.00 0.00 H new ATOM 425 N LYS A 31 4.630 -8.647 3.995 1.00 0.00 N ATOM 426 CA LYS A 31 5.025 -10.025 4.237 1.00 0.00 C ATOM 427 C LYS A 31 5.927 -10.500 3.096 1.00 0.00 C ATOM 428 O LYS A 31 6.670 -11.468 3.250 1.00 0.00 O ATOM 429 CB LYS A 31 3.792 -10.905 4.453 1.00 0.00 C ATOM 430 CG LYS A 31 3.979 -12.279 3.807 1.00 0.00 C ATOM 431 CD LYS A 31 3.600 -12.243 2.325 1.00 0.00 C ATOM 432 CE LYS A 31 3.582 -13.653 1.730 1.00 0.00 C ATOM 433 NZ LYS A 31 2.344 -14.364 2.118 1.00 0.00 N ATOM 0 H LYS A 31 3.654 -8.524 3.727 1.00 0.00 H new ATOM 0 HA LYS A 31 5.607 -10.099 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.608 -11.023 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.914 -10.417 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.016 -12.597 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.365 -13.015 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.619 -11.782 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.311 -11.623 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.650 -13.596 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.452 -14.211 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.300 -15.279 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.343 -14.524 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.517 -13.790 1.857 1.00 0.00 H new ATOM 447 N ARG A 32 5.832 -9.797 1.977 1.00 0.00 N ATOM 448 CA ARG A 32 6.630 -10.135 0.811 1.00 0.00 C ATOM 449 C ARG A 32 8.007 -9.473 0.901 1.00 0.00 C ATOM 450 O ARG A 32 9.028 -10.127 0.694 1.00 0.00 O ATOM 451 CB ARG A 32 5.939 -9.687 -0.478 1.00 0.00 C ATOM 452 CG ARG A 32 6.010 -10.780 -1.547 1.00 0.00 C ATOM 453 CD ARG A 32 4.689 -11.547 -1.634 1.00 0.00 C ATOM 454 NE ARG A 32 4.955 -12.993 -1.808 1.00 0.00 N ATOM 455 CZ ARG A 32 5.559 -13.522 -2.881 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.963 -12.728 -3.881 1.00 0.00 N ATOM 457 NH2 ARG A 32 5.758 -14.845 -2.953 1.00 0.00 N ATOM 0 H ARG A 32 5.214 -8.995 1.853 1.00 0.00 H new ATOM 0 HA ARG A 32 6.745 -11.219 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.897 -9.443 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.411 -8.778 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.240 -10.333 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.821 -11.470 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.103 -11.383 -0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.097 -11.174 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 32 4.660 -13.626 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.811 -11.721 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.423 -13.130 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.450 -15.449 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.218 -15.248 -3.770 1.00 0.00 H new ATOM 471 N ALA A 33 7.990 -8.185 1.209 1.00 0.00 N ATOM 472 CA ALA A 33 9.224 -7.428 1.328 1.00 0.00 C ATOM 473 C ALA A 33 9.737 -7.520 2.767 1.00 0.00 C ATOM 474 O ALA A 33 10.823 -7.031 3.075 1.00 0.00 O ATOM 475 CB ALA A 33 8.982 -5.983 0.887 1.00 0.00 C ATOM 0 H ALA A 33 7.141 -7.646 1.380 1.00 0.00 H new ATOM 0 HA ALA A 33 9.993 -7.843 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.908 -5.415 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.647 -5.970 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.218 -5.532 1.520 1.00 0.00 H new ATOM 481 N SER A 34 8.932 -8.150 3.609 1.00 0.00 N ATOM 482 CA SER A 34 9.290 -8.312 5.008 1.00 0.00 C ATOM 483 C SER A 34 9.713 -6.966 5.599 1.00 0.00 C ATOM 484 O SER A 34 10.720 -6.881 6.301 1.00 0.00 O ATOM 485 CB SER A 34 10.411 -9.341 5.173 1.00 0.00 C ATOM 486 OG SER A 34 10.332 -10.020 6.423 1.00 0.00 O ATOM 0 H SER A 34 8.032 -8.555 3.349 1.00 0.00 H new ATOM 0 HA SER A 34 8.415 -8.678 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.359 -10.067 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.376 -8.842 5.092 1.00 0.00 H new ATOM 0 HG SER A 34 11.063 -10.669 6.490 1.00 0.00 H new ATOM 492 N VAL A 35 8.924 -5.947 5.294 1.00 0.00 N ATOM 493 CA VAL A 35 9.204 -4.609 5.786 1.00 0.00 C ATOM 494 C VAL A 35 8.215 -4.263 6.901 1.00 0.00 C ATOM 495 O VAL A 35 7.279 -5.018 7.162 1.00 0.00 O ATOM 496 CB VAL A 35 9.175 -3.609 4.629 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.091 -4.330 3.282 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.022 -2.616 4.791 1.00 0.00 C ATOM 0 H VAL A 35 8.090 -6.021 4.712 1.00 0.00 H new ATOM 0 HA VAL A 35 10.205 -4.561 6.214 1.00 0.00 H new ATOM 0 HB VAL A 35 10.108 -3.046 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.072 -3.596 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.959 -4.978 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.182 -4.931 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.024 -1.916 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.076 -3.157 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.144 -2.067 5.724 1.00 0.00 H new ATOM 508 N SER A 36 8.455 -3.121 7.528 1.00 0.00 N ATOM 509 CA SER A 36 7.597 -2.666 8.609 1.00 0.00 C ATOM 510 C SER A 36 6.555 -1.684 8.071 1.00 0.00 C ATOM 511 O SER A 36 6.872 -0.823 7.251 1.00 0.00 O ATOM 512 CB SER A 36 8.415 -2.013 9.725 1.00 0.00 C ATOM 513 OG SER A 36 8.681 -2.919 10.792 1.00 0.00 O ATOM 0 H SER A 36 9.231 -2.497 7.308 1.00 0.00 H new ATOM 0 HA SER A 36 7.088 -3.533 9.029 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.357 -1.647 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.876 -1.147 10.110 1.00 0.00 H new ATOM 0 HG SER A 36 9.207 -2.465 11.483 1.00 0.00 H new ATOM 519 N GLN A 37 5.332 -1.844 8.554 1.00 0.00 N ATOM 520 CA GLN A 37 4.241 -0.982 8.132 1.00 0.00 C ATOM 521 C GLN A 37 4.732 0.458 7.977 1.00 0.00 C ATOM 522 O GLN A 37 4.295 1.174 7.077 1.00 0.00 O ATOM 523 CB GLN A 37 3.070 -1.060 9.113 1.00 0.00 C ATOM 524 CG GLN A 37 2.235 -2.320 8.873 1.00 0.00 C ATOM 525 CD GLN A 37 0.820 -2.154 9.429 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.411 -1.084 9.849 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.096 -3.270 9.408 1.00 0.00 N ATOM 0 H GLN A 37 5.072 -2.558 9.234 1.00 0.00 H new ATOM 0 HA GLN A 37 3.883 -1.329 7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.447 -1.059 10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.441 -0.177 9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.187 -2.531 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.717 -3.176 9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.499 -4.133 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.862 -3.263 9.757 1.00 0.00 H new ATOM 536 N ALA A 38 5.634 0.841 8.869 1.00 0.00 N ATOM 537 CA ALA A 38 6.190 2.183 8.843 1.00 0.00 C ATOM 538 C ALA A 38 6.942 2.394 7.528 1.00 0.00 C ATOM 539 O ALA A 38 6.523 3.189 6.688 1.00 0.00 O ATOM 540 CB ALA A 38 7.085 2.390 10.066 1.00 0.00 C ATOM 0 H ALA A 38 5.994 0.245 9.615 1.00 0.00 H new ATOM 0 HA ALA A 38 5.395 2.928 8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.502 3.397 10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.496 2.259 10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.896 1.662 10.051 1.00 0.00 H new ATOM 546 N VAL A 39 8.041 1.666 7.389 1.00 0.00 N ATOM 547 CA VAL A 39 8.856 1.763 6.190 1.00 0.00 C ATOM 548 C VAL A 39 7.944 1.867 4.965 1.00 0.00 C ATOM 549 O VAL A 39 8.087 2.783 4.157 1.00 0.00 O ATOM 550 CB VAL A 39 9.822 0.579 6.117 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.450 0.469 4.726 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.900 0.683 7.198 1.00 0.00 C ATOM 0 H VAL A 39 8.386 1.007 8.087 1.00 0.00 H new ATOM 0 HA VAL A 39 9.469 2.664 6.217 1.00 0.00 H new ATOM 0 HB VAL A 39 9.251 -0.331 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.132 -0.381 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.665 0.326 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.000 1.383 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.573 -0.171 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.466 1.604 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.430 0.690 8.181 1.00 0.00 H new ATOM 562 N PHE A 40 7.028 0.915 4.868 1.00 0.00 N ATOM 563 CA PHE A 40 6.093 0.888 3.756 1.00 0.00 C ATOM 564 C PHE A 40 5.236 2.155 3.728 1.00 0.00 C ATOM 565 O PHE A 40 5.312 2.939 2.783 1.00 0.00 O ATOM 566 CB PHE A 40 5.183 -0.324 3.966 1.00 0.00 C ATOM 567 CG PHE A 40 4.106 -0.487 2.892 1.00 0.00 C ATOM 568 CD1 PHE A 40 2.992 0.293 2.922 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.261 -1.412 1.907 1.00 0.00 C ATOM 570 CE1 PHE A 40 1.992 0.142 1.925 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.261 -1.563 0.910 1.00 0.00 C ATOM 572 CZ PHE A 40 2.148 -0.783 0.941 1.00 0.00 C ATOM 0 H PHE A 40 6.913 0.157 5.541 1.00 0.00 H new ATOM 0 HA PHE A 40 6.638 0.830 2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.796 -1.225 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.701 -0.239 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.868 1.027 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.145 -2.032 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.108 0.762 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.385 -2.297 0.128 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.387 -0.898 0.183 1.00 0.00 H new ATOM 582 N ALA A 41 4.442 2.317 4.776 1.00 0.00 N ATOM 583 CA ALA A 41 3.572 3.476 4.884 1.00 0.00 C ATOM 584 C ALA A 41 4.335 4.724 4.437 1.00 0.00 C ATOM 585 O ALA A 41 3.765 5.611 3.803 1.00 0.00 O ATOM 586 CB ALA A 41 3.053 3.593 6.318 1.00 0.00 C ATOM 0 H ALA A 41 4.383 1.665 5.558 1.00 0.00 H new ATOM 0 HA ALA A 41 2.706 3.368 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.400 4.462 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.494 2.694 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.895 3.706 7.001 1.00 0.00 H new ATOM 592 N ARG A 42 5.613 4.754 4.785 1.00 0.00 N ATOM 593 CA ARG A 42 6.460 5.879 4.427 1.00 0.00 C ATOM 594 C ARG A 42 6.661 5.931 2.911 1.00 0.00 C ATOM 595 O ARG A 42 6.466 6.975 2.291 1.00 0.00 O ATOM 596 CB ARG A 42 7.824 5.781 5.113 1.00 0.00 C ATOM 597 CG ARG A 42 8.695 6.994 4.777 1.00 0.00 C ATOM 598 CD ARG A 42 8.037 8.290 5.252 1.00 0.00 C ATOM 599 NE ARG A 42 8.914 8.975 6.228 1.00 0.00 N ATOM 600 CZ ARG A 42 8.865 10.289 6.489 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.982 11.067 5.849 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.700 10.824 7.390 1.00 0.00 N ATOM 0 H ARG A 42 6.083 4.017 5.311 1.00 0.00 H new ATOM 0 HA ARG A 42 5.962 6.789 4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.688 5.714 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.329 4.868 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.673 6.885 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.861 7.040 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.846 8.944 4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.072 8.071 5.709 1.00 0.00 H new ATOM 0 HE ARG A 42 9.598 8.412 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.347 10.660 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.945 12.067 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.373 10.232 7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.663 11.824 7.589 1.00 0.00 H new ATOM 616 N VAL A 43 7.050 4.792 2.359 1.00 0.00 N ATOM 617 CA VAL A 43 7.280 4.694 0.927 1.00 0.00 C ATOM 618 C VAL A 43 5.955 4.402 0.221 1.00 0.00 C ATOM 619 O VAL A 43 5.933 4.129 -0.978 1.00 0.00 O ATOM 620 CB VAL A 43 8.355 3.644 0.640 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.622 3.921 1.451 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.829 2.233 0.909 1.00 0.00 C ATOM 0 H VAL A 43 7.212 3.928 2.877 1.00 0.00 H new ATOM 0 HA VAL A 43 7.656 5.639 0.535 1.00 0.00 H new ATOM 0 HB VAL A 43 8.613 3.709 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.370 3.160 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.014 4.903 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.386 3.897 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.613 1.506 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.529 2.149 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.969 2.037 0.268 1.00 0.00 H new ATOM 632 N ALA A 44 4.881 4.468 0.995 1.00 0.00 N ATOM 633 CA ALA A 44 3.555 4.214 0.458 1.00 0.00 C ATOM 634 C ALA A 44 2.831 5.545 0.247 1.00 0.00 C ATOM 635 O ALA A 44 2.406 5.854 -0.865 1.00 0.00 O ATOM 636 CB ALA A 44 2.794 3.279 1.400 1.00 0.00 C ATOM 0 H ALA A 44 4.902 4.694 1.989 1.00 0.00 H new ATOM 0 HA ALA A 44 3.621 3.718 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.799 3.088 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.335 2.337 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.705 3.745 2.381 1.00 0.00 H new ATOM 642 N PHE A 45 2.713 6.296 1.331 1.00 0.00 N ATOM 643 CA PHE A 45 2.048 7.587 1.279 1.00 0.00 C ATOM 644 C PHE A 45 2.640 8.552 2.309 1.00 0.00 C ATOM 645 O PHE A 45 1.966 9.479 2.754 1.00 0.00 O ATOM 646 CB PHE A 45 0.575 7.345 1.612 1.00 0.00 C ATOM 647 CG PHE A 45 0.344 6.248 2.653 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.551 4.945 2.326 1.00 0.00 C ATOM 649 CD2 PHE A 45 -0.067 6.577 3.907 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.338 3.927 3.292 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.281 5.559 4.874 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.074 4.256 4.546 1.00 0.00 C ATOM 0 H PHE A 45 3.067 6.035 2.252 1.00 0.00 H new ATOM 0 HA PHE A 45 2.175 8.031 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.138 8.275 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.045 7.081 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.878 4.684 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.231 7.612 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.503 2.892 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.608 5.820 5.870 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.237 3.482 5.281 1.00 0.00 H new ATOM 662 N ASN A 46 3.893 8.299 2.657 1.00 0.00 N ATOM 663 CA ASN A 46 4.583 9.133 3.626 1.00 0.00 C ATOM 664 C ASN A 46 3.770 9.180 4.922 1.00 0.00 C ATOM 665 O ASN A 46 3.267 10.236 5.305 1.00 0.00 O ATOM 666 CB ASN A 46 4.735 10.565 3.111 1.00 0.00 C ATOM 667 CG ASN A 46 5.391 11.460 4.164 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.509 11.111 5.327 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.809 12.632 3.694 1.00 0.00 N ATOM 0 H ASN A 46 4.448 7.528 2.285 1.00 0.00 H new ATOM 0 HA ASN A 46 5.571 8.705 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.336 10.566 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.757 10.966 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.259 13.301 4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.679 12.862 2.709 1.00 0.00 H new ATOM 676 N ARG A 47 3.667 8.024 5.561 1.00 0.00 N ATOM 677 CA ARG A 47 2.925 7.921 6.805 1.00 0.00 C ATOM 678 C ARG A 47 3.657 7.002 7.785 1.00 0.00 C ATOM 679 O ARG A 47 4.664 6.390 7.434 1.00 0.00 O ATOM 680 CB ARG A 47 1.516 7.377 6.562 1.00 0.00 C ATOM 681 CG ARG A 47 0.495 8.514 6.484 1.00 0.00 C ATOM 682 CD ARG A 47 0.288 9.160 7.856 1.00 0.00 C ATOM 683 NE ARG A 47 -0.794 10.167 7.783 1.00 0.00 N ATOM 684 CZ ARG A 47 -1.135 10.978 8.794 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.480 10.906 9.961 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.131 11.861 8.638 1.00 0.00 N ATOM 0 H ARG A 47 4.085 7.151 5.240 1.00 0.00 H new ATOM 0 HA ARG A 47 2.848 8.922 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.499 6.804 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.243 6.693 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.836 9.266 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.455 8.130 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.037 8.397 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.213 9.631 8.189 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.313 10.249 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.278 10.234 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.740 11.523 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.630 11.916 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.391 12.478 9.407 1.00 0.00 H new ATOM 700 N THR A 48 3.122 6.934 8.996 1.00 0.00 N ATOM 701 CA THR A 48 3.712 6.100 10.029 1.00 0.00 C ATOM 702 C THR A 48 3.039 4.726 10.054 1.00 0.00 C ATOM 703 O THR A 48 2.263 4.395 9.159 1.00 0.00 O ATOM 704 CB THR A 48 3.609 6.851 11.358 1.00 0.00 C ATOM 705 OG1 THR A 48 2.255 7.293 11.404 1.00 0.00 O ATOM 706 CG2 THR A 48 4.424 8.146 11.363 1.00 0.00 C ATOM 0 H THR A 48 2.286 7.443 9.284 1.00 0.00 H new ATOM 0 HA THR A 48 4.766 5.907 9.828 1.00 0.00 H new ATOM 0 HB THR A 48 3.949 6.205 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.101 7.788 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.316 8.640 12.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.475 7.915 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.062 8.807 10.575 1.00 0.00 H new ATOM 714 N GLN A 49 3.361 3.964 11.089 1.00 0.00 N ATOM 715 CA GLN A 49 2.797 2.634 11.242 1.00 0.00 C ATOM 716 C GLN A 49 1.501 2.696 12.054 1.00 0.00 C ATOM 717 O GLN A 49 0.483 2.138 11.648 1.00 0.00 O ATOM 718 CB GLN A 49 3.805 1.683 11.891 1.00 0.00 C ATOM 719 CG GLN A 49 3.120 0.400 12.367 1.00 0.00 C ATOM 720 CD GLN A 49 4.151 -0.636 12.821 1.00 0.00 C ATOM 721 OE1 GLN A 49 5.263 -0.315 13.207 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.722 -1.893 12.752 1.00 0.00 N ATOM 0 H GLN A 49 4.005 4.242 11.829 1.00 0.00 H new ATOM 0 HA GLN A 49 2.563 2.244 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.590 1.437 11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.286 2.178 12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.443 0.629 13.190 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.514 -0.014 11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.779 -2.092 12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.336 -2.658 13.032 1.00 0.00 H new ATOM 731 N GLY A 50 1.582 3.381 13.185 1.00 0.00 N ATOM 732 CA GLY A 50 0.428 3.524 14.057 1.00 0.00 C ATOM 733 C GLY A 50 -0.826 3.874 13.253 1.00 0.00 C ATOM 734 O GLY A 50 -1.941 3.559 13.667 1.00 0.00 O ATOM 0 H GLY A 50 2.428 3.843 13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.265 2.597 14.606 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.620 4.302 14.796 1.00 0.00 H new ATOM 738 N LEU A 51 -0.602 4.520 12.119 1.00 0.00 N ATOM 739 CA LEU A 51 -1.701 4.916 11.254 1.00 0.00 C ATOM 740 C LEU A 51 -2.057 3.754 10.325 1.00 0.00 C ATOM 741 O LEU A 51 -3.136 3.174 10.437 1.00 0.00 O ATOM 742 CB LEU A 51 -1.360 6.212 10.514 1.00 0.00 C ATOM 743 CG LEU A 51 -2.269 6.571 9.337 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.668 6.093 8.014 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.684 6.030 9.552 1.00 0.00 C ATOM 0 H LEU A 51 0.324 4.779 11.779 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.590 5.137 11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.385 7.033 11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.336 6.139 10.148 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.344 7.657 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.334 6.361 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.698 6.566 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.543 5.011 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.310 6.299 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.648 4.945 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.104 6.460 10.461 1.00 0.00 H new ATOM 757 N LEU A 52 -1.130 3.448 9.429 1.00 0.00 N ATOM 758 CA LEU A 52 -1.333 2.365 8.482 1.00 0.00 C ATOM 759 C LEU A 52 -2.010 1.192 9.193 1.00 0.00 C ATOM 760 O LEU A 52 -2.846 0.505 8.607 1.00 0.00 O ATOM 761 CB LEU A 52 -0.014 1.994 7.802 1.00 0.00 C ATOM 762 CG LEU A 52 0.001 0.662 7.050 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.925 0.709 5.832 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.428 0.263 6.669 1.00 0.00 C ATOM 0 H LEU A 52 -0.236 3.931 9.339 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.001 2.680 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.246 2.787 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.769 1.969 8.560 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.382 -0.110 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.896 -0.250 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.945 0.915 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.595 1.496 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.410 -0.687 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.862 1.031 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.031 0.161 7.572 1.00 0.00 H new ATOM 776 N SER A 53 -1.624 0.998 10.445 1.00 0.00 N ATOM 777 CA SER A 53 -2.183 -0.081 11.242 1.00 0.00 C ATOM 778 C SER A 53 -3.702 0.070 11.335 1.00 0.00 C ATOM 779 O SER A 53 -4.445 -0.818 10.919 1.00 0.00 O ATOM 780 CB SER A 53 -1.566 -0.109 12.642 1.00 0.00 C ATOM 781 OG SER A 53 -1.246 -1.433 13.058 1.00 0.00 O ATOM 0 H SER A 53 -0.931 1.570 10.928 1.00 0.00 H new ATOM 0 HA SER A 53 -1.947 -1.025 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.664 0.502 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.261 0.336 13.354 1.00 0.00 H new ATOM 0 HG SER A 53 -0.853 -1.408 13.955 1.00 0.00 H new ATOM 787 N GLU A 54 -4.120 1.201 11.883 1.00 0.00 N ATOM 788 CA GLU A 54 -5.538 1.480 12.036 1.00 0.00 C ATOM 789 C GLU A 54 -6.256 1.333 10.693 1.00 0.00 C ATOM 790 O GLU A 54 -7.406 0.900 10.644 1.00 0.00 O ATOM 791 CB GLU A 54 -5.762 2.873 12.627 1.00 0.00 C ATOM 792 CG GLU A 54 -5.950 3.914 11.522 1.00 0.00 C ATOM 793 CD GLU A 54 -5.746 5.331 12.062 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.821 5.496 12.887 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.519 6.217 11.638 1.00 0.00 O ATOM 0 H GLU A 54 -3.501 1.936 12.227 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.958 0.754 12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.640 2.861 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.911 3.149 13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.243 3.724 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.950 3.823 11.098 1.00 0.00 H new ATOM 802 N ILE A 55 -5.547 1.700 9.636 1.00 0.00 N ATOM 803 CA ILE A 55 -6.102 1.614 8.296 1.00 0.00 C ATOM 804 C ILE A 55 -6.291 0.143 7.920 1.00 0.00 C ATOM 805 O ILE A 55 -7.240 -0.205 7.219 1.00 0.00 O ATOM 806 CB ILE A 55 -5.235 2.395 7.306 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.438 3.902 7.468 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.492 1.933 5.870 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.328 4.685 6.764 1.00 0.00 C ATOM 0 H ILE A 55 -4.593 2.058 9.680 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.086 2.081 8.261 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.189 2.186 7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.406 4.188 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.453 4.158 8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.864 2.504 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.255 0.873 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.540 2.093 5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.497 5.754 6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.363 4.415 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.332 4.445 5.701 1.00 0.00 H new ATOM 821 N LEU A 56 -5.373 -0.681 8.404 1.00 0.00 N ATOM 822 CA LEU A 56 -5.427 -2.106 8.128 1.00 0.00 C ATOM 823 C LEU A 56 -6.374 -2.779 9.124 1.00 0.00 C ATOM 824 O LEU A 56 -6.795 -3.916 8.916 1.00 0.00 O ATOM 825 CB LEU A 56 -4.019 -2.704 8.120 1.00 0.00 C ATOM 826 CG LEU A 56 -3.054 -2.132 7.079 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.600 -2.306 7.525 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.307 -2.746 5.701 1.00 0.00 C ATOM 0 H LEU A 56 -4.588 -0.389 8.986 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.831 -2.285 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.581 -2.565 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.103 -3.779 7.957 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.239 -1.061 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.935 -1.891 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.444 -1.785 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.384 -3.366 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.608 -2.322 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.166 -3.826 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.328 -2.528 5.388 1.00 0.00 H new ATOM 840 N ARG A 57 -6.682 -2.047 10.185 1.00 0.00 N ATOM 841 CA ARG A 57 -7.572 -2.559 11.214 1.00 0.00 C ATOM 842 C ARG A 57 -9.012 -2.122 10.935 1.00 0.00 C ATOM 843 O ARG A 57 -9.942 -2.917 11.063 1.00 0.00 O ATOM 844 CB ARG A 57 -7.155 -2.063 12.599 1.00 0.00 C ATOM 845 CG ARG A 57 -5.953 -2.850 13.125 1.00 0.00 C ATOM 846 CD ARG A 57 -5.036 -1.957 13.964 1.00 0.00 C ATOM 847 NE ARG A 57 -5.066 -2.389 15.379 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.747 -1.599 16.413 1.00 0.00 C ATOM 849 NH1 ARG A 57 -4.371 -0.331 16.195 1.00 0.00 N ATOM 850 NH2 ARG A 57 -4.803 -2.076 17.663 1.00 0.00 N ATOM 0 H ARG A 57 -6.331 -1.104 10.354 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.509 -3.647 11.196 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.907 -1.003 12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.991 -2.163 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.299 -3.690 13.728 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.393 -3.268 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.017 -2.007 13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.355 -0.918 13.886 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.347 -3.349 15.580 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.328 0.032 15.243 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.128 0.271 16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.089 -3.041 17.828 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.560 -1.474 18.450 1.00 0.00 H new ATOM 864 N LYS A 58 -9.151 -0.859 10.560 1.00 0.00 N ATOM 865 CA LYS A 58 -10.462 -0.306 10.262 1.00 0.00 C ATOM 866 C LYS A 58 -10.826 -0.622 8.810 1.00 0.00 C ATOM 867 O LYS A 58 -11.987 -0.881 8.500 1.00 0.00 O ATOM 868 CB LYS A 58 -10.502 1.186 10.596 1.00 0.00 C ATOM 869 CG LYS A 58 -10.505 1.410 12.110 1.00 0.00 C ATOM 870 CD LYS A 58 -10.171 2.864 12.450 1.00 0.00 C ATOM 871 CE LYS A 58 -9.643 2.985 13.880 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.582 3.767 14.716 1.00 0.00 N ATOM 0 H LYS A 58 -8.377 -0.202 10.456 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.223 -0.770 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.640 1.685 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.392 1.637 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.483 1.153 12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.779 0.747 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.426 3.243 11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.061 3.482 12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.506 1.992 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.665 3.467 13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.208 3.839 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.692 4.720 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.507 3.291 14.737 1.00 0.00 H new ATOM 886 N GLU A 59 -9.811 -0.590 7.959 1.00 0.00 N ATOM 887 CA GLU A 59 -10.010 -0.869 6.547 1.00 0.00 C ATOM 888 C GLU A 59 -11.116 0.023 5.980 1.00 0.00 C ATOM 889 O GLU A 59 -12.184 -0.465 5.614 1.00 0.00 O ATOM 890 CB GLU A 59 -10.327 -2.348 6.320 1.00 0.00 C ATOM 891 CG GLU A 59 -9.084 -3.215 6.529 1.00 0.00 C ATOM 892 CD GLU A 59 -9.236 -4.570 5.835 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.379 -4.874 5.429 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.207 -5.270 5.725 1.00 0.00 O ATOM 0 H GLU A 59 -8.849 -0.375 8.220 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.084 -0.645 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.114 -2.664 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.708 -2.491 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.207 -2.699 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.917 -3.366 7.596 1.00 0.00 H new ATOM 901 N GLU A 60 -10.822 1.314 5.925 1.00 0.00 N ATOM 902 CA GLU A 60 -11.779 2.278 5.409 1.00 0.00 C ATOM 903 C GLU A 60 -11.964 2.087 3.902 1.00 0.00 C ATOM 904 O GLU A 60 -11.094 2.457 3.115 1.00 0.00 O ATOM 905 CB GLU A 60 -11.344 3.709 5.732 1.00 0.00 C ATOM 906 CG GLU A 60 -11.589 4.037 7.206 1.00 0.00 C ATOM 907 CD GLU A 60 -11.566 2.769 8.062 1.00 0.00 C ATOM 908 OE1 GLU A 60 -10.460 2.208 8.216 1.00 0.00 O ATOM 909 OE2 GLU A 60 -12.656 2.388 8.542 1.00 0.00 O ATOM 0 H GLU A 60 -9.935 1.715 6.229 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.738 2.106 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.286 3.833 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.893 4.410 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.827 4.732 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.552 4.537 7.316 1.00 0.00 H new ATOM 916 N ASP A 61 -13.103 1.511 3.546 1.00 0.00 N ATOM 917 CA ASP A 61 -13.413 1.268 2.148 1.00 0.00 C ATOM 918 C ASP A 61 -13.043 2.503 1.325 1.00 0.00 C ATOM 919 O ASP A 61 -13.320 3.630 1.733 1.00 0.00 O ATOM 920 CB ASP A 61 -14.906 0.999 1.954 1.00 0.00 C ATOM 921 CG ASP A 61 -15.564 0.171 3.059 1.00 0.00 C ATOM 922 OD1 ASP A 61 -14.969 -0.867 3.420 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.647 0.594 3.518 1.00 0.00 O ATOM 0 H ASP A 61 -13.822 1.206 4.202 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.845 0.396 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.425 1.955 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.046 0.485 1.003 1.00 0.00 H new ATOM 928 N PRO A 62 -12.408 2.243 0.151 1.00 0.00 N ATOM 929 CA PRO A 62 -11.998 3.321 -0.732 1.00 0.00 C ATOM 930 C PRO A 62 -13.200 3.910 -1.474 1.00 0.00 C ATOM 931 O PRO A 62 -13.048 4.823 -2.284 1.00 0.00 O ATOM 932 CB PRO A 62 -10.972 2.697 -1.665 1.00 0.00 C ATOM 933 CG PRO A 62 -11.187 1.195 -1.575 1.00 0.00 C ATOM 934 CD PRO A 62 -12.064 0.921 -0.364 1.00 0.00 C ATOM 0 HA PRO A 62 -11.566 4.164 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.107 3.050 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.959 2.965 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.662 0.822 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.232 0.678 -1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.956 0.359 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.534 0.330 0.383 1.00 0.00 H new ATOM 942 N ARG A 63 -14.368 3.363 -1.170 1.00 0.00 N ATOM 943 CA ARG A 63 -15.595 3.823 -1.797 1.00 0.00 C ATOM 944 C ARG A 63 -16.255 4.906 -0.942 1.00 0.00 C ATOM 945 O ARG A 63 -16.865 5.834 -1.472 1.00 0.00 O ATOM 946 CB ARG A 63 -16.579 2.668 -1.994 1.00 0.00 C ATOM 947 CG ARG A 63 -15.915 1.500 -2.726 1.00 0.00 C ATOM 948 CD ARG A 63 -15.928 0.235 -1.865 1.00 0.00 C ATOM 949 NE ARG A 63 -15.904 -0.966 -2.730 1.00 0.00 N ATOM 950 CZ ARG A 63 -16.961 -1.417 -3.419 1.00 0.00 C ATOM 951 NH1 ARG A 63 -18.132 -0.771 -3.349 1.00 0.00 N ATOM 952 NH2 ARG A 63 -16.846 -2.515 -4.179 1.00 0.00 N ATOM 0 H ARG A 63 -14.490 2.606 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.335 4.234 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.949 2.332 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.442 3.014 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.436 1.311 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.888 1.762 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.066 0.230 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -16.818 0.222 -1.236 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.028 -1.483 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -18.220 0.065 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.936 -1.115 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.954 -3.007 -4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.650 -2.859 -4.704 1.00 0.00 H new ATOM 966 N THR A 64 -16.109 4.753 0.366 1.00 0.00 N ATOM 967 CA THR A 64 -16.683 5.707 1.299 1.00 0.00 C ATOM 968 C THR A 64 -15.578 6.428 2.072 1.00 0.00 C ATOM 969 O THR A 64 -15.827 7.447 2.714 1.00 0.00 O ATOM 970 CB THR A 64 -17.664 4.955 2.201 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.844 4.031 2.911 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.625 4.067 1.408 1.00 0.00 C ATOM 0 H THR A 64 -15.602 3.983 0.801 1.00 0.00 H new ATOM 0 HA THR A 64 -17.234 6.489 0.776 1.00 0.00 H new ATOM 0 HB THR A 64 -18.235 5.671 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.400 3.502 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.299 3.556 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.205 4.682 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.056 3.329 0.843 1.00 0.00 H new ATOM 980 N ALA A 65 -14.379 5.871 1.986 1.00 0.00 N ATOM 981 CA ALA A 65 -13.234 6.448 2.669 1.00 0.00 C ATOM 982 C ALA A 65 -13.257 7.968 2.500 1.00 0.00 C ATOM 983 O ALA A 65 -13.912 8.486 1.596 1.00 0.00 O ATOM 984 CB ALA A 65 -11.947 5.821 2.129 1.00 0.00 C ATOM 0 H ALA A 65 -14.176 5.025 1.453 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.277 6.234 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.088 6.254 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.967 4.745 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.868 6.017 1.060 1.00 0.00 H new ATOM 990 N SER A 66 -12.536 8.641 3.384 1.00 0.00 N ATOM 991 CA SER A 66 -12.465 10.092 3.344 1.00 0.00 C ATOM 992 C SER A 66 -11.309 10.535 2.446 1.00 0.00 C ATOM 993 O SER A 66 -10.295 9.846 2.348 1.00 0.00 O ATOM 994 CB SER A 66 -12.299 10.675 4.749 1.00 0.00 C ATOM 995 OG SER A 66 -10.956 11.075 5.006 1.00 0.00 O ATOM 0 H SER A 66 -11.995 8.208 4.133 1.00 0.00 H new ATOM 0 HA SER A 66 -13.401 10.468 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.961 11.533 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.604 9.934 5.487 1.00 0.00 H new ATOM 0 HG SER A 66 -10.892 11.443 5.912 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.501 11.683 1.812 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.486 12.226 0.925 1.00 0.00 C ATOM 1003 C GLN A 67 -9.096 12.055 1.540 1.00 0.00 C ATOM 1004 O GLN A 67 -8.167 11.608 0.869 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.767 13.696 0.605 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.306 13.854 -0.818 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.782 15.287 -1.068 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -11.001 16.201 -1.271 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -13.104 15.430 -1.042 1.00 0.00 N ATOM 0 H GLN A 67 -12.344 12.252 1.895 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.517 11.671 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.489 14.095 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.852 14.278 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.528 13.595 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.131 13.160 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.701 14.622 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.521 16.348 -1.198 1.00 0.00 H new ATOM 1018 N SER A 68 -8.997 12.420 2.810 1.00 0.00 N ATOM 1019 CA SER A 68 -7.736 12.313 3.524 1.00 0.00 C ATOM 1020 C SER A 68 -7.187 10.889 3.405 1.00 0.00 C ATOM 1021 O SER A 68 -5.996 10.697 3.169 1.00 0.00 O ATOM 1022 CB SER A 68 -7.901 12.697 4.995 1.00 0.00 C ATOM 1023 OG SER A 68 -6.920 13.643 5.413 1.00 0.00 O ATOM 0 H SER A 68 -9.770 12.790 3.363 1.00 0.00 H new ATOM 0 HA SER A 68 -7.028 13.008 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.896 13.113 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.829 11.802 5.614 1.00 0.00 H new ATOM 0 HG SER A 68 -7.060 13.864 6.357 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.083 9.928 3.575 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.704 8.528 3.491 1.00 0.00 C ATOM 1031 C LEU A 69 -7.489 8.150 2.024 1.00 0.00 C ATOM 1032 O LEU A 69 -6.446 7.606 1.666 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.732 7.650 4.208 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.164 6.528 5.079 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.210 6.025 6.076 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.602 5.395 4.217 1.00 0.00 C ATOM 0 H LEU A 69 -9.071 10.091 3.771 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.759 8.358 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.353 8.290 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.387 7.205 3.458 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.335 6.933 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.781 5.228 6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.521 6.846 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.075 5.643 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.205 4.611 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.396 4.985 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.805 5.782 3.582 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.493 8.454 1.214 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.427 8.153 -0.206 1.00 0.00 C ATOM 1050 C LEU A 70 -7.060 8.574 -0.749 1.00 0.00 C ATOM 1051 O LEU A 70 -6.440 7.840 -1.517 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.605 8.791 -0.944 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.842 7.909 -1.122 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -12.030 8.727 -1.632 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.538 6.714 -2.028 1.00 0.00 C ATOM 0 H LEU A 70 -9.357 8.906 1.514 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.520 7.080 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.900 9.692 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.263 9.106 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.120 7.511 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.896 8.076 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.263 9.515 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.778 9.173 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.434 6.103 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.220 7.072 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.743 6.115 -1.585 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.630 9.754 -0.328 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.348 10.282 -0.763 1.00 0.00 C ATOM 1069 C VAL A 71 -4.256 9.244 -0.493 1.00 0.00 C ATOM 1070 O VAL A 71 -3.356 9.058 -1.310 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.077 11.625 -0.082 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.576 11.918 -0.024 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.829 12.757 -0.785 1.00 0.00 C ATOM 0 H VAL A 71 -7.147 10.360 0.310 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.358 10.473 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.446 11.562 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.411 12.878 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.074 11.133 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.173 11.952 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.619 13.701 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.504 12.820 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.900 12.558 -0.752 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.372 8.596 0.657 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.406 7.582 1.045 1.00 0.00 C ATOM 1085 C ASN A 72 -3.700 6.287 0.285 1.00 0.00 C ATOM 1086 O ASN A 72 -2.803 5.697 -0.314 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.494 7.282 2.543 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.650 8.571 3.352 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -3.163 9.628 2.985 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.355 8.426 4.470 1.00 0.00 N ATOM 0 H ASN A 72 -5.120 8.753 1.332 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.410 7.957 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.340 6.622 2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.597 6.753 2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.516 9.228 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.735 7.513 4.719 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.961 5.882 0.336 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.385 4.667 -0.340 1.00 0.00 C ATOM 1099 C LEU A 73 -4.922 4.712 -1.798 1.00 0.00 C ATOM 1100 O LEU A 73 -4.505 3.696 -2.351 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.892 4.463 -0.179 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.428 4.517 1.253 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.947 4.338 1.278 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.715 3.497 2.144 1.00 0.00 C ATOM 0 H LEU A 73 -5.703 6.374 0.835 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.918 3.794 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.406 5.223 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.155 3.496 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.215 5.505 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.301 4.381 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.417 5.133 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.207 3.372 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.115 3.556 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.875 2.494 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.647 3.714 2.162 1.00 0.00 H new ATOM 1116 N ARG A 74 -5.013 5.900 -2.377 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.609 6.090 -3.760 1.00 0.00 C ATOM 1118 C ARG A 74 -3.091 5.952 -3.894 1.00 0.00 C ATOM 1119 O ARG A 74 -2.601 5.315 -4.825 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.036 7.467 -4.274 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.339 7.374 -5.071 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.783 8.755 -5.558 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.512 8.629 -6.840 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.740 8.107 -6.958 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -9.384 7.658 -5.873 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.323 8.033 -8.162 1.00 0.00 N ATOM 0 H ARG A 74 -5.360 6.740 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.101 5.322 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.167 8.148 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.250 7.884 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.201 6.710 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.119 6.935 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.423 9.225 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.915 9.401 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.050 8.961 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.939 7.714 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.319 7.261 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.832 8.374 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.258 7.636 -8.252 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.388 6.560 -2.949 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.936 6.513 -2.950 1.00 0.00 C ATOM 1142 C ALA A 75 -0.477 5.058 -2.836 1.00 0.00 C ATOM 1143 O ALA A 75 0.260 4.568 -3.690 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.396 7.385 -1.814 1.00 0.00 C ATOM 0 H ALA A 75 -2.797 7.087 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.540 6.912 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.693 7.350 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.726 8.414 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.770 7.013 -0.860 1.00 0.00 H new ATOM 1150 N MET A 76 -0.932 4.409 -1.774 1.00 0.00 N ATOM 1151 CA MET A 76 -0.577 3.020 -1.538 1.00 0.00 C ATOM 1152 C MET A 76 -0.691 2.199 -2.823 1.00 0.00 C ATOM 1153 O MET A 76 0.299 1.647 -3.302 1.00 0.00 O ATOM 1154 CB MET A 76 -1.502 2.431 -0.471 1.00 0.00 C ATOM 1155 CG MET A 76 -1.131 2.945 0.921 1.00 0.00 C ATOM 1156 SD MET A 76 -2.226 2.243 2.144 1.00 0.00 S ATOM 1157 CE MET A 76 -3.254 3.661 2.490 1.00 0.00 C ATOM 0 H MET A 76 -1.543 4.819 -1.068 1.00 0.00 H new ATOM 0 HA MET A 76 0.457 2.982 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.536 2.694 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.438 1.343 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.099 2.682 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.196 4.033 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.999 3.396 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.635 4.476 2.865 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.756 3.978 1.576 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.908 2.143 -3.346 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.164 1.398 -4.566 1.00 0.00 C ATOM 1169 C GLN A 77 -1.166 1.801 -5.654 1.00 0.00 C ATOM 1170 O GLN A 77 -0.788 0.980 -6.489 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.605 1.602 -5.041 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.864 0.848 -6.347 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.710 -0.402 -6.099 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.799 -0.560 -6.627 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.152 -1.278 -5.269 1.00 0.00 N ATOM 0 H GLN A 77 -2.727 2.602 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.032 0.337 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.297 1.256 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.797 2.665 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.374 1.502 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.915 0.565 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.237 -1.083 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.639 -2.145 -5.040 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.769 3.064 -5.609 1.00 0.00 N ATOM 1185 CA ASN A 78 0.178 3.585 -6.580 1.00 0.00 C ATOM 1186 C ASN A 78 1.561 2.992 -6.307 1.00 0.00 C ATOM 1187 O ASN A 78 2.290 2.653 -7.238 1.00 0.00 O ATOM 1188 CB ASN A 78 0.288 5.108 -6.478 1.00 0.00 C ATOM 1189 CG ASN A 78 -0.049 5.772 -7.815 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.242 5.260 -8.883 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.678 6.938 -7.696 1.00 0.00 N ATOM 0 H ASN A 78 -1.086 3.742 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.175 3.314 -7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.388 5.474 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.298 5.384 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.947 7.460 -8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.892 7.310 -6.771 1.00 0.00 H new ATOM 1198 N PHE A 79 1.881 2.884 -5.026 1.00 0.00 N ATOM 1199 CA PHE A 79 3.164 2.337 -4.618 1.00 0.00 C ATOM 1200 C PHE A 79 3.206 0.822 -4.826 1.00 0.00 C ATOM 1201 O PHE A 79 4.257 0.262 -5.133 1.00 0.00 O ATOM 1202 CB PHE A 79 3.327 2.640 -3.127 1.00 0.00 C ATOM 1203 CG PHE A 79 4.471 1.877 -2.458 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.760 2.250 -2.682 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.200 0.825 -1.640 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.822 1.542 -2.060 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.263 0.117 -1.019 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.551 0.490 -1.242 1.00 0.00 C ATOM 0 H PHE A 79 1.274 3.166 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 79 3.963 2.781 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.495 3.710 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.395 2.400 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.975 3.085 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.177 0.528 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.845 1.839 -2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.048 -0.718 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.359 -0.049 -0.770 1.00 0.00 H new ATOM 1218 N LEU A 80 2.049 0.201 -4.649 1.00 0.00 N ATOM 1219 CA LEU A 80 1.939 -1.238 -4.814 1.00 0.00 C ATOM 1220 C LEU A 80 2.015 -1.585 -6.302 1.00 0.00 C ATOM 1221 O LEU A 80 2.166 -2.751 -6.665 1.00 0.00 O ATOM 1222 CB LEU A 80 0.678 -1.762 -4.124 1.00 0.00 C ATOM 1223 CG LEU A 80 0.589 -1.521 -2.615 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.823 -1.798 -2.098 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.645 -2.337 -1.866 1.00 0.00 C ATOM 0 H LEU A 80 1.179 0.669 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 80 2.774 -1.741 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.189 -1.301 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.608 -2.835 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 80 0.801 -0.469 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.859 -1.619 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.530 -1.137 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.088 -2.835 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.560 -2.147 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.490 -3.398 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.639 -2.047 -2.208 1.00 0.00 H new ATOM 1237 N ASN A 81 1.907 -0.551 -7.124 1.00 0.00 N ATOM 1238 CA ASN A 81 1.961 -0.732 -8.565 1.00 0.00 C ATOM 1239 C ASN A 81 3.418 -0.677 -9.027 1.00 0.00 C ATOM 1240 O ASN A 81 3.760 -1.211 -10.081 1.00 0.00 O ATOM 1241 CB ASN A 81 1.194 0.377 -9.288 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.316 0.149 -9.195 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.798 -0.968 -9.107 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -1.035 1.268 -9.219 1.00 0.00 N ATOM 0 H ASN A 81 1.782 0.415 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 81 1.510 -1.696 -8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.447 1.343 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.497 0.411 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.052 1.222 -9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.569 2.172 -9.294 1.00 0.00 H new ATOM 1251 N LEU A 82 4.239 -0.026 -8.215 1.00 0.00 N ATOM 1252 CA LEU A 82 5.652 0.105 -8.527 1.00 0.00 C ATOM 1253 C LEU A 82 6.230 -1.275 -8.845 1.00 0.00 C ATOM 1254 O LEU A 82 5.608 -2.295 -8.552 1.00 0.00 O ATOM 1255 CB LEU A 82 6.385 0.833 -7.398 1.00 0.00 C ATOM 1256 CG LEU A 82 6.381 2.362 -7.473 1.00 0.00 C ATOM 1257 CD1 LEU A 82 6.953 2.974 -6.193 1.00 0.00 C ATOM 1258 CD2 LEU A 82 7.117 2.851 -8.722 1.00 0.00 C ATOM 0 H LEU A 82 3.952 0.416 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 82 5.790 0.721 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.939 0.534 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.420 0.492 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 82 5.348 2.698 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.939 4.061 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.349 2.664 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.979 2.633 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.100 3.940 -8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.150 2.505 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.626 2.456 -9.612 1.00 0.00 H new ATOM 1270 N PRO A 83 7.445 -1.262 -9.457 1.00 0.00 N ATOM 1271 CA PRO A 83 8.114 -2.501 -9.818 1.00 0.00 C ATOM 1272 C PRO A 83 8.704 -3.185 -8.584 1.00 0.00 C ATOM 1273 O PRO A 83 9.361 -2.542 -7.767 1.00 0.00 O ATOM 1274 CB PRO A 83 9.169 -2.095 -10.834 1.00 0.00 C ATOM 1275 CG PRO A 83 9.364 -0.598 -10.658 1.00 0.00 C ATOM 1276 CD PRO A 83 8.211 -0.073 -9.819 1.00 0.00 C ATOM 0 HA PRO A 83 7.434 -3.239 -10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.102 -2.633 -10.664 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.845 -2.330 -11.848 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.316 -0.392 -10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.389 -0.100 -11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.572 0.450 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.602 0.635 -10.382 1.00 0.00 H new ATOM 1284 N GLU A 84 8.448 -4.482 -8.487 1.00 0.00 N ATOM 1285 CA GLU A 84 8.946 -5.261 -7.366 1.00 0.00 C ATOM 1286 C GLU A 84 10.409 -4.912 -7.084 1.00 0.00 C ATOM 1287 O GLU A 84 10.818 -4.825 -5.928 1.00 0.00 O ATOM 1288 CB GLU A 84 8.780 -6.760 -7.624 1.00 0.00 C ATOM 1289 CG GLU A 84 9.179 -7.576 -6.392 1.00 0.00 C ATOM 1290 CD GLU A 84 8.476 -8.934 -6.382 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.450 -9.568 -7.459 1.00 0.00 O ATOM 1292 OE2 GLU A 84 7.979 -9.308 -5.298 1.00 0.00 O ATOM 0 H GLU A 84 7.902 -5.012 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 84 8.357 -5.009 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.744 -6.975 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.393 -7.056 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.259 -7.722 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.924 -7.024 -5.488 1.00 0.00 H new ATOM 1299 N VAL A 85 11.156 -4.721 -8.162 1.00 0.00 N ATOM 1300 CA VAL A 85 12.564 -4.383 -8.045 1.00 0.00 C ATOM 1301 C VAL A 85 12.708 -3.075 -7.264 1.00 0.00 C ATOM 1302 O VAL A 85 13.619 -2.930 -6.450 1.00 0.00 O ATOM 1303 CB VAL A 85 13.205 -4.323 -9.433 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.599 -5.377 -10.362 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.077 -2.922 -10.036 1.00 0.00 C ATOM 0 H VAL A 85 10.813 -4.794 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 85 13.096 -5.154 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 85 14.267 -4.544 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.072 -5.313 -11.342 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.765 -6.370 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.528 -5.200 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.541 -2.907 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.023 -2.660 -10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.576 -2.201 -9.389 1.00 0.00 H new ATOM 1315 N GLU A 86 11.794 -2.156 -7.538 1.00 0.00 N ATOM 1316 CA GLU A 86 11.807 -0.865 -6.871 1.00 0.00 C ATOM 1317 C GLU A 86 11.444 -1.028 -5.393 1.00 0.00 C ATOM 1318 O GLU A 86 12.236 -0.687 -4.515 1.00 0.00 O ATOM 1319 CB GLU A 86 10.861 0.119 -7.562 1.00 0.00 C ATOM 1320 CG GLU A 86 11.640 1.112 -8.426 1.00 0.00 C ATOM 1321 CD GLU A 86 12.762 1.775 -7.625 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.422 2.526 -6.686 1.00 0.00 O ATOM 1323 OE2 GLU A 86 13.935 1.514 -7.969 1.00 0.00 O ATOM 0 H GLU A 86 11.039 -2.280 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 86 12.815 -0.455 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.150 -0.428 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.282 0.659 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.061 0.596 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.963 1.875 -8.810 1.00 0.00 H new ATOM 1330 N ARG A 87 10.248 -1.549 -5.164 1.00 0.00 N ATOM 1331 CA ARG A 87 9.771 -1.761 -3.808 1.00 0.00 C ATOM 1332 C ARG A 87 10.858 -2.425 -2.961 1.00 0.00 C ATOM 1333 O ARG A 87 11.123 -1.998 -1.838 1.00 0.00 O ATOM 1334 CB ARG A 87 8.517 -2.637 -3.795 1.00 0.00 C ATOM 1335 CG ARG A 87 7.500 -2.153 -4.830 1.00 0.00 C ATOM 1336 CD ARG A 87 6.069 -2.414 -4.356 1.00 0.00 C ATOM 1337 NE ARG A 87 5.581 -3.700 -4.902 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.792 -4.891 -4.324 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.484 -4.966 -3.179 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.312 -6.005 -4.892 1.00 0.00 N ATOM 0 H ARG A 87 9.595 -1.831 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 87 9.523 -0.786 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.789 -3.672 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.067 -2.620 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.638 -1.087 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.671 -2.662 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.036 -2.436 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.417 -1.602 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 87 5.051 -3.679 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.850 -4.117 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.645 -5.872 -2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.786 -5.947 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.472 -6.911 -4.453 1.00 0.00 H new ATOM 1354 N ASP A 88 11.458 -3.460 -3.531 1.00 0.00 N ATOM 1355 CA ASP A 88 12.511 -4.187 -2.843 1.00 0.00 C ATOM 1356 C ASP A 88 13.624 -3.215 -2.448 1.00 0.00 C ATOM 1357 O ASP A 88 14.145 -3.280 -1.336 1.00 0.00 O ATOM 1358 CB ASP A 88 13.120 -5.261 -3.747 1.00 0.00 C ATOM 1359 CG ASP A 88 13.025 -6.690 -3.208 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.899 -7.080 -2.829 1.00 0.00 O ATOM 1361 OD2 ASP A 88 14.080 -7.360 -3.187 1.00 0.00 O ATOM 0 H ASP A 88 11.235 -3.812 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 88 12.074 -4.660 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.625 -5.221 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.170 -5.021 -3.915 1.00 0.00 H new ATOM 1366 N ARG A 89 13.955 -2.334 -3.381 1.00 0.00 N ATOM 1367 CA ARG A 89 14.996 -1.349 -3.144 1.00 0.00 C ATOM 1368 C ARG A 89 14.493 -0.263 -2.191 1.00 0.00 C ATOM 1369 O ARG A 89 15.116 0.003 -1.164 1.00 0.00 O ATOM 1370 CB ARG A 89 15.447 -0.699 -4.454 1.00 0.00 C ATOM 1371 CG ARG A 89 16.958 -0.844 -4.646 1.00 0.00 C ATOM 1372 CD ARG A 89 17.376 -0.412 -6.053 1.00 0.00 C ATOM 1373 NE ARG A 89 18.850 -0.452 -6.178 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.680 0.398 -5.559 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.186 1.360 -4.767 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.004 0.286 -5.731 1.00 0.00 N ATOM 0 H ARG A 89 13.520 -2.282 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 89 15.845 -1.865 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.924 -1.160 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.177 0.357 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.482 -0.240 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.252 -1.880 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.922 -1.070 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.013 0.595 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 89 19.260 -1.172 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.178 1.445 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.818 2.007 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.380 -0.446 -6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.636 0.933 -5.260 1.00 0.00 H new ATOM 1390 N ILE A 90 13.371 0.333 -2.564 1.00 0.00 N ATOM 1391 CA ILE A 90 12.777 1.384 -1.755 1.00 0.00 C ATOM 1392 C ILE A 90 12.826 0.976 -0.281 1.00 0.00 C ATOM 1393 O ILE A 90 13.324 1.725 0.558 1.00 0.00 O ATOM 1394 CB ILE A 90 11.369 1.714 -2.255 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.411 2.284 -3.674 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.648 2.651 -1.283 1.00 0.00 C ATOM 1397 CD1 ILE A 90 9.999 2.462 -4.236 1.00 0.00 C ATOM 0 H ILE A 90 12.857 0.108 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 90 13.349 2.307 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 90 10.795 0.788 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.928 3.244 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 90 11.982 1.618 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.650 2.870 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.569 2.172 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.211 3.579 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.058 2.869 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.494 1.497 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.438 3.148 -3.601 1.00 0.00 H new ATOM 1409 N TYR A 91 12.303 -0.211 -0.011 1.00 0.00 N ATOM 1410 CA TYR A 91 12.281 -0.727 1.347 1.00 0.00 C ATOM 1411 C TYR A 91 13.688 -0.753 1.947 1.00 0.00 C ATOM 1412 O TYR A 91 13.890 -0.328 3.083 1.00 0.00 O ATOM 1413 CB TYR A 91 11.757 -2.161 1.245 1.00 0.00 C ATOM 1414 CG TYR A 91 10.281 -2.258 0.853 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.369 -1.360 1.370 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.861 -3.243 -0.018 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.980 -1.451 1.001 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.472 -3.334 -0.387 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.600 -2.433 0.141 1.00 0.00 C ATOM 1420 OH TYR A 91 6.288 -2.519 -0.207 1.00 0.00 O ATOM 0 H TYR A 91 11.891 -0.830 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 91 11.660 -0.099 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.353 -2.704 0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.901 -2.659 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.697 -0.589 2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.574 -3.946 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.256 -0.755 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.130 -4.100 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 91 6.053 -1.765 -0.788 1.00 0.00 H new ATOM 1430 N GLN A 92 14.625 -1.255 1.156 1.00 0.00 N ATOM 1431 CA GLN A 92 16.007 -1.342 1.594 1.00 0.00 C ATOM 1432 C GLN A 92 16.512 0.034 2.033 1.00 0.00 C ATOM 1433 O GLN A 92 16.854 0.232 3.198 1.00 0.00 O ATOM 1434 CB GLN A 92 16.895 -1.928 0.495 1.00 0.00 C ATOM 1435 CG GLN A 92 18.370 -1.617 0.758 1.00 0.00 C ATOM 1436 CD GLN A 92 18.864 -2.330 2.019 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.459 -3.436 2.337 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.759 -1.636 2.717 1.00 0.00 N ATOM 0 H GLN A 92 14.454 -1.606 0.214 1.00 0.00 H new ATOM 0 HA GLN A 92 16.055 -2.015 2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.751 -3.007 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.600 -1.520 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.969 -1.927 -0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.505 -0.541 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.055 -0.715 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.149 -2.025 3.575 1.00 0.00 H new ATOM 1447 N ASP A 93 16.544 0.950 1.076 1.00 0.00 N ATOM 1448 CA ASP A 93 17.001 2.302 1.348 1.00 0.00 C ATOM 1449 C ASP A 93 16.410 2.778 2.676 1.00 0.00 C ATOM 1450 O ASP A 93 17.146 3.090 3.611 1.00 0.00 O ATOM 1451 CB ASP A 93 16.545 3.269 0.254 1.00 0.00 C ATOM 1452 CG ASP A 93 17.590 4.301 -0.174 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.760 4.126 0.231 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.196 5.241 -0.897 1.00 0.00 O ATOM 0 H ASP A 93 16.261 0.782 0.111 1.00 0.00 H new ATOM 0 HA ASP A 93 18.090 2.288 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.248 2.690 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.657 3.796 0.603 1.00 0.00 H new ATOM 1459 N GLU A 94 15.086 2.818 2.717 1.00 0.00 N ATOM 1460 CA GLU A 94 14.387 3.250 3.916 1.00 0.00 C ATOM 1461 C GLU A 94 15.014 2.610 5.156 1.00 0.00 C ATOM 1462 O GLU A 94 15.549 3.308 6.016 1.00 0.00 O ATOM 1463 CB GLU A 94 12.895 2.927 3.827 1.00 0.00 C ATOM 1464 CG GLU A 94 12.084 4.175 3.472 1.00 0.00 C ATOM 1465 CD GLU A 94 12.459 4.696 2.083 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.453 3.869 1.146 1.00 0.00 O ATOM 1467 OE2 GLU A 94 12.744 5.910 1.990 1.00 0.00 O ATOM 0 H GLU A 94 14.479 2.558 1.939 1.00 0.00 H new ATOM 0 HA GLU A 94 14.486 4.332 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.730 2.156 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.549 2.523 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.020 3.942 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.261 4.952 4.216 1.00 0.00 H new