USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=12 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= -1.41 X(o=-2,f=-2.1) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.569 K(o=-2,f=-9.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 15:sc= -0.189 USER MOD Single : A 24 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.15 K(o=-1.2,f=-0.031) USER MOD Single : A 46 ASN : amide:sc= -2.03 K(o=-2,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.2!) USER MOD Single : A 53 SER OG : rot 160:sc= 0.04 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc=-0.00828 (180deg=-0.28) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00674 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.1) USER MOD Single : A 76 MET CE :methyl 179:sc= -6.86! (180deg=-6.89!) USER MOD Single : A 78 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.57) USER MOD Single : A 81 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.4!) USER MOD Single : A 91 TYR OH : rot 73:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.123 2.081 -7.464 1.00 0.00 N ATOM 213 CA VAL A 18 -7.879 1.561 -6.130 1.00 0.00 C ATOM 214 C VAL A 18 -8.673 0.268 -5.938 1.00 0.00 C ATOM 215 O VAL A 18 -9.853 0.203 -6.280 1.00 0.00 O ATOM 216 CB VAL A 18 -8.211 2.627 -5.084 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.220 2.030 -3.675 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.240 3.805 -5.174 1.00 0.00 C ATOM 0 HA VAL A 18 -6.824 1.317 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.213 3.002 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.459 2.809 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.970 1.241 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.238 1.614 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.499 4.548 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.223 3.452 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.305 4.256 -6.164 1.00 0.00 H new ATOM 228 N SER A 19 -7.994 -0.731 -5.392 1.00 0.00 N ATOM 229 CA SER A 19 -8.622 -2.019 -5.151 1.00 0.00 C ATOM 230 C SER A 19 -9.159 -2.080 -3.720 1.00 0.00 C ATOM 231 O SER A 19 -8.612 -1.444 -2.820 1.00 0.00 O ATOM 232 CB SER A 19 -7.639 -3.165 -5.398 1.00 0.00 C ATOM 233 OG SER A 19 -8.106 -4.062 -6.402 1.00 0.00 O ATOM 0 H SER A 19 -7.015 -0.674 -5.110 1.00 0.00 H new ATOM 0 HA SER A 19 -9.452 -2.131 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.674 -2.757 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.479 -3.712 -4.469 1.00 0.00 H new ATOM 0 HG SER A 19 -7.450 -4.778 -6.532 1.00 0.00 H new ATOM 239 N PRO A 20 -10.252 -2.870 -3.549 1.00 0.00 N ATOM 240 CA PRO A 20 -10.869 -3.023 -2.243 1.00 0.00 C ATOM 241 C PRO A 20 -10.029 -3.930 -1.342 1.00 0.00 C ATOM 242 O PRO A 20 -10.234 -3.968 -0.129 1.00 0.00 O ATOM 243 CB PRO A 20 -12.254 -3.583 -2.524 1.00 0.00 C ATOM 244 CG PRO A 20 -12.192 -4.158 -3.930 1.00 0.00 C ATOM 245 CD PRO A 20 -10.927 -3.638 -4.592 1.00 0.00 C ATOM 0 HA PRO A 20 -10.938 -2.081 -1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.519 -4.352 -1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.012 -2.803 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.185 -5.247 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.071 -3.862 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.302 -4.456 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.159 -3.015 -5.455 1.00 0.00 H new ATOM 253 N ASP A 21 -9.101 -4.638 -1.969 1.00 0.00 N ATOM 254 CA ASP A 21 -8.229 -5.542 -1.239 1.00 0.00 C ATOM 255 C ASP A 21 -6.895 -4.846 -0.964 1.00 0.00 C ATOM 256 O ASP A 21 -5.939 -5.481 -0.520 1.00 0.00 O ATOM 257 CB ASP A 21 -7.944 -6.807 -2.051 1.00 0.00 C ATOM 258 CG ASP A 21 -9.154 -7.395 -2.779 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.841 -8.232 -2.154 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.366 -6.995 -3.944 1.00 0.00 O ATOM 0 H ASP A 21 -8.934 -4.604 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.728 -5.815 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.171 -6.582 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.537 -7.566 -1.382 1.00 0.00 H new ATOM 265 N ILE A 22 -6.872 -3.550 -1.238 1.00 0.00 N ATOM 266 CA ILE A 22 -5.671 -2.761 -1.026 1.00 0.00 C ATOM 267 C ILE A 22 -5.046 -3.143 0.317 1.00 0.00 C ATOM 268 O ILE A 22 -3.824 -3.132 0.463 1.00 0.00 O ATOM 269 CB ILE A 22 -5.980 -1.269 -1.158 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.748 -0.423 -0.828 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.188 -0.881 -0.304 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.863 -0.237 -2.062 1.00 0.00 C ATOM 0 H ILE A 22 -7.667 -3.026 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.931 -2.979 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.242 -1.065 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.061 0.551 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.175 -0.903 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.386 0.185 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.060 -1.448 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.980 -1.103 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.995 0.368 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.531 -1.211 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.431 0.265 -2.845 1.00 0.00 H new ATOM 284 N TYR A 23 -5.912 -3.472 1.264 1.00 0.00 N ATOM 285 CA TYR A 23 -5.460 -3.857 2.591 1.00 0.00 C ATOM 286 C TYR A 23 -4.664 -5.163 2.542 1.00 0.00 C ATOM 287 O TYR A 23 -3.508 -5.205 2.960 1.00 0.00 O ATOM 288 CB TYR A 23 -6.727 -4.077 3.420 1.00 0.00 C ATOM 289 CG TYR A 23 -7.781 -2.982 3.248 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.657 -1.790 3.932 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.857 -3.187 2.407 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.650 -0.760 3.770 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.850 -2.156 2.245 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.697 -0.994 2.934 1.00 0.00 C ATOM 295 OH TYR A 23 -10.635 -0.021 2.780 1.00 0.00 O ATOM 0 H TYR A 23 -6.924 -3.480 1.139 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.811 -3.089 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.166 -5.036 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.453 -4.141 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.815 -1.630 4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.954 -4.120 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.565 0.177 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.697 -2.303 1.591 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.288 0.826 3.131 1.00 0.00 H new ATOM 305 N GLN A 24 -5.314 -6.196 2.027 1.00 0.00 N ATOM 306 CA GLN A 24 -4.681 -7.499 1.918 1.00 0.00 C ATOM 307 C GLN A 24 -3.390 -7.396 1.104 1.00 0.00 C ATOM 308 O GLN A 24 -2.448 -8.154 1.328 1.00 0.00 O ATOM 309 CB GLN A 24 -5.637 -8.523 1.301 1.00 0.00 C ATOM 310 CG GLN A 24 -5.171 -9.951 1.590 1.00 0.00 C ATOM 311 CD GLN A 24 -5.845 -10.506 2.846 1.00 0.00 C ATOM 312 OE1 GLN A 24 -7.042 -10.736 2.889 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.012 -10.706 3.864 1.00 0.00 N ATOM 0 H GLN A 24 -6.273 -6.157 1.681 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.429 -7.843 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.640 -8.376 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.697 -8.367 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.400 -10.591 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.089 -9.965 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.020 -10.492 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.365 -11.073 4.748 1.00 0.00 H new ATOM 322 N GLN A 25 -3.388 -6.451 0.175 1.00 0.00 N ATOM 323 CA GLN A 25 -2.228 -6.239 -0.674 1.00 0.00 C ATOM 324 C GLN A 25 -1.037 -5.765 0.163 1.00 0.00 C ATOM 325 O GLN A 25 0.065 -6.295 0.035 1.00 0.00 O ATOM 326 CB GLN A 25 -2.541 -5.244 -1.793 1.00 0.00 C ATOM 327 CG GLN A 25 -3.462 -5.871 -2.842 1.00 0.00 C ATOM 328 CD GLN A 25 -3.893 -4.835 -3.882 1.00 0.00 C ATOM 329 OE1 GLN A 25 -3.108 -4.034 -4.361 1.00 0.00 O ATOM 330 NE2 GLN A 25 -5.182 -4.895 -4.204 1.00 0.00 N ATOM 0 H GLN A 25 -4.171 -5.824 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.966 -7.189 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.013 -4.356 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.614 -4.919 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.948 -6.696 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.342 -6.290 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.785 -5.591 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.567 -4.245 -4.890 1.00 0.00 H new ATOM 339 N VAL A 26 -1.301 -4.773 1.001 1.00 0.00 N ATOM 340 CA VAL A 26 -0.266 -4.223 1.858 1.00 0.00 C ATOM 341 C VAL A 26 0.310 -5.336 2.735 1.00 0.00 C ATOM 342 O VAL A 26 1.495 -5.651 2.646 1.00 0.00 O ATOM 343 CB VAL A 26 -0.825 -3.052 2.669 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.203 -2.545 3.682 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.292 -1.922 1.749 1.00 0.00 C ATOM 0 H VAL A 26 -2.217 -4.336 1.104 1.00 0.00 H new ATOM 0 HA VAL A 26 0.553 -3.825 1.259 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.691 -3.412 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.220 -1.713 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.466 -3.350 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.097 -2.210 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.685 -1.102 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.451 -1.565 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.074 -2.292 1.086 1.00 0.00 H new ATOM 355 N ARG A 27 -0.557 -5.902 3.563 1.00 0.00 N ATOM 356 CA ARG A 27 -0.150 -6.974 4.455 1.00 0.00 C ATOM 357 C ARG A 27 0.726 -7.982 3.709 1.00 0.00 C ATOM 358 O ARG A 27 1.738 -8.441 4.236 1.00 0.00 O ATOM 359 CB ARG A 27 -1.365 -7.697 5.037 1.00 0.00 C ATOM 360 CG ARG A 27 -2.257 -6.730 5.818 1.00 0.00 C ATOM 361 CD ARG A 27 -2.884 -7.420 7.031 1.00 0.00 C ATOM 362 NE ARG A 27 -2.986 -6.467 8.159 1.00 0.00 N ATOM 363 CZ ARG A 27 -3.796 -6.634 9.213 1.00 0.00 C ATOM 364 NH1 ARG A 27 -4.580 -7.718 9.290 1.00 0.00 N ATOM 365 NH2 ARG A 27 -3.822 -5.717 10.190 1.00 0.00 N ATOM 0 H ARG A 27 -1.540 -5.638 3.634 1.00 0.00 H new ATOM 0 HA ARG A 27 0.418 -6.528 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.939 -8.157 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.034 -8.502 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.670 -5.873 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.043 -6.348 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.873 -7.798 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.280 -8.279 7.323 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.403 -5.631 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.560 -8.416 8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.197 -7.845 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.225 -4.892 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.439 -5.844 10.992 1.00 0.00 H new ATOM 379 N ASP A 28 0.305 -8.297 2.493 1.00 0.00 N ATOM 380 CA ASP A 28 1.039 -9.242 1.668 1.00 0.00 C ATOM 381 C ASP A 28 2.345 -8.597 1.199 1.00 0.00 C ATOM 382 O ASP A 28 3.382 -9.257 1.143 1.00 0.00 O ATOM 383 CB ASP A 28 0.233 -9.633 0.428 1.00 0.00 C ATOM 384 CG ASP A 28 0.402 -11.086 -0.022 1.00 0.00 C ATOM 385 OD1 ASP A 28 0.084 -11.974 0.798 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.845 -11.275 -1.175 1.00 0.00 O ATOM 0 H ASP A 28 -0.535 -7.915 2.059 1.00 0.00 H new ATOM 0 HA ASP A 28 1.234 -10.132 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.823 -9.451 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.520 -8.978 -0.395 1.00 0.00 H new ATOM 391 N GLU A 29 2.252 -7.316 0.875 1.00 0.00 N ATOM 392 CA GLU A 29 3.413 -6.575 0.413 1.00 0.00 C ATOM 393 C GLU A 29 4.473 -6.509 1.514 1.00 0.00 C ATOM 394 O GLU A 29 5.649 -6.773 1.265 1.00 0.00 O ATOM 395 CB GLU A 29 3.018 -5.172 -0.052 1.00 0.00 C ATOM 396 CG GLU A 29 3.989 -4.653 -1.115 1.00 0.00 C ATOM 397 CD GLU A 29 3.745 -5.338 -2.461 1.00 0.00 C ATOM 398 OE1 GLU A 29 2.753 -4.958 -3.120 1.00 0.00 O ATOM 399 OE2 GLU A 29 4.557 -6.226 -2.801 1.00 0.00 O ATOM 0 H GLU A 29 1.390 -6.772 0.923 1.00 0.00 H new ATOM 0 HA GLU A 29 3.838 -7.100 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.006 -5.191 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.008 -4.492 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.871 -3.575 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.015 -4.831 -0.793 1.00 0.00 H new ATOM 406 N LEU A 30 4.020 -6.155 2.708 1.00 0.00 N ATOM 407 CA LEU A 30 4.915 -6.052 3.847 1.00 0.00 C ATOM 408 C LEU A 30 5.573 -7.410 4.100 1.00 0.00 C ATOM 409 O LEU A 30 6.786 -7.492 4.285 1.00 0.00 O ATOM 410 CB LEU A 30 4.173 -5.493 5.063 1.00 0.00 C ATOM 411 CG LEU A 30 3.359 -4.219 4.824 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.449 -3.919 6.017 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.273 -3.039 4.489 1.00 0.00 C ATOM 0 H LEU A 30 3.045 -5.936 2.911 1.00 0.00 H new ATOM 0 HA LEU A 30 5.716 -5.344 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.501 -6.264 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.902 -5.293 5.848 1.00 0.00 H new ATOM 0 HG LEU A 30 2.715 -4.382 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.882 -3.009 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.761 -4.751 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.056 -3.783 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.669 -2.147 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.960 -2.864 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.842 -3.264 3.587 1.00 0.00 H new ATOM 425 N LYS A 31 4.742 -8.443 4.099 1.00 0.00 N ATOM 426 CA LYS A 31 5.227 -9.793 4.325 1.00 0.00 C ATOM 427 C LYS A 31 6.119 -10.213 3.155 1.00 0.00 C ATOM 428 O LYS A 31 6.798 -11.237 3.223 1.00 0.00 O ATOM 429 CB LYS A 31 4.058 -10.747 4.580 1.00 0.00 C ATOM 430 CG LYS A 31 4.558 -12.111 5.061 1.00 0.00 C ATOM 431 CD LYS A 31 4.218 -13.207 4.049 1.00 0.00 C ATOM 432 CE LYS A 31 3.146 -14.149 4.601 1.00 0.00 C ATOM 433 NZ LYS A 31 3.407 -15.540 4.169 1.00 0.00 N ATOM 0 H LYS A 31 3.736 -8.371 3.945 1.00 0.00 H new ATOM 0 HA LYS A 31 5.842 -9.831 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.389 -10.317 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.478 -10.870 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.637 -12.074 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.108 -12.348 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.867 -12.754 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.116 -13.775 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.133 -14.096 5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.162 -13.833 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.671 -16.166 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.397 -15.589 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.337 -15.844 4.521 1.00 0.00 H new ATOM 447 N ARG A 32 6.090 -9.401 2.109 1.00 0.00 N ATOM 448 CA ARG A 32 6.887 -9.675 0.926 1.00 0.00 C ATOM 449 C ARG A 32 8.260 -9.009 1.044 1.00 0.00 C ATOM 450 O ARG A 32 9.287 -9.663 0.876 1.00 0.00 O ATOM 451 CB ARG A 32 6.190 -9.168 -0.338 1.00 0.00 C ATOM 452 CG ARG A 32 6.245 -10.215 -1.452 1.00 0.00 C ATOM 453 CD ARG A 32 4.917 -10.966 -1.565 1.00 0.00 C ATOM 454 NE ARG A 32 5.005 -12.260 -0.853 1.00 0.00 N ATOM 455 CZ ARG A 32 4.218 -13.314 -1.109 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.279 -13.234 -2.061 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.370 -14.449 -0.412 1.00 0.00 N ATOM 0 H ARG A 32 5.527 -8.552 2.056 1.00 0.00 H new ATOM 0 HA ARG A 32 7.008 -10.756 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.151 -8.926 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.666 -8.247 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.474 -9.730 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.051 -10.922 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.112 -10.364 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.673 -11.135 -2.614 1.00 0.00 H new ATOM 0 HE ARG A 32 5.709 -12.356 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.163 -12.371 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.680 -14.037 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.085 -14.510 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.771 -15.251 -0.607 1.00 0.00 H new ATOM 471 N ALA A 33 8.232 -7.716 1.333 1.00 0.00 N ATOM 472 CA ALA A 33 9.461 -6.955 1.477 1.00 0.00 C ATOM 473 C ALA A 33 9.977 -7.093 2.910 1.00 0.00 C ATOM 474 O ALA A 33 11.072 -6.630 3.227 1.00 0.00 O ATOM 475 CB ALA A 33 9.207 -5.498 1.086 1.00 0.00 C ATOM 0 H ALA A 33 7.377 -7.176 1.471 1.00 0.00 H new ATOM 0 HA ALA A 33 10.232 -7.342 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.129 -4.926 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.871 -5.453 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.440 -5.075 1.735 1.00 0.00 H new ATOM 481 N SER A 34 9.165 -7.732 3.739 1.00 0.00 N ATOM 482 CA SER A 34 9.526 -7.937 5.131 1.00 0.00 C ATOM 483 C SER A 34 9.887 -6.600 5.780 1.00 0.00 C ATOM 484 O SER A 34 10.867 -6.509 6.519 1.00 0.00 O ATOM 485 CB SER A 34 10.690 -8.921 5.259 1.00 0.00 C ATOM 486 OG SER A 34 10.751 -9.511 6.555 1.00 0.00 O ATOM 0 H SER A 34 8.258 -8.115 3.473 1.00 0.00 H new ATOM 0 HA SER A 34 8.667 -8.364 5.648 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.586 -9.705 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.627 -8.403 5.052 1.00 0.00 H new ATOM 0 HG SER A 34 11.506 -10.134 6.596 1.00 0.00 H new ATOM 492 N VAL A 35 9.077 -5.595 5.482 1.00 0.00 N ATOM 493 CA VAL A 35 9.299 -4.267 6.027 1.00 0.00 C ATOM 494 C VAL A 35 8.257 -3.984 7.111 1.00 0.00 C ATOM 495 O VAL A 35 7.291 -4.731 7.258 1.00 0.00 O ATOM 496 CB VAL A 35 9.287 -3.230 4.902 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.306 -3.910 3.531 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.085 -2.293 5.033 1.00 0.00 C ATOM 0 H VAL A 35 8.265 -5.674 4.869 1.00 0.00 H new ATOM 0 HA VAL A 35 10.281 -4.207 6.496 1.00 0.00 H new ATOM 0 HB VAL A 35 10.191 -2.628 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.297 -3.151 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.207 -4.516 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.428 -4.547 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.100 -1.566 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.164 -2.874 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.133 -1.771 5.989 1.00 0.00 H new ATOM 508 N SER A 36 8.489 -2.904 7.842 1.00 0.00 N ATOM 509 CA SER A 36 7.582 -2.514 8.908 1.00 0.00 C ATOM 510 C SER A 36 6.455 -1.645 8.346 1.00 0.00 C ATOM 511 O SER A 36 6.667 -0.881 7.405 1.00 0.00 O ATOM 512 CB SER A 36 8.325 -1.766 10.017 1.00 0.00 C ATOM 513 OG SER A 36 8.623 -2.612 11.125 1.00 0.00 O ATOM 0 H SER A 36 9.292 -2.287 7.717 1.00 0.00 H new ATOM 0 HA SER A 36 7.154 -3.419 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.251 -1.352 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.720 -0.925 10.355 1.00 0.00 H new ATOM 0 HG SER A 36 9.099 -2.098 11.810 1.00 0.00 H new ATOM 519 N GLN A 37 5.283 -1.791 8.945 1.00 0.00 N ATOM 520 CA GLN A 37 4.123 -1.029 8.515 1.00 0.00 C ATOM 521 C GLN A 37 4.484 0.451 8.369 1.00 0.00 C ATOM 522 O GLN A 37 3.824 1.185 7.635 1.00 0.00 O ATOM 523 CB GLN A 37 2.954 -1.214 9.486 1.00 0.00 C ATOM 524 CG GLN A 37 2.184 -2.500 9.177 1.00 0.00 C ATOM 525 CD GLN A 37 1.161 -2.803 10.274 1.00 0.00 C ATOM 526 OE1 GLN A 37 1.354 -3.662 11.118 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.066 -2.051 10.214 1.00 0.00 N ATOM 0 H GLN A 37 5.111 -2.426 9.725 1.00 0.00 H new ATOM 0 HA GLN A 37 3.807 -1.404 7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.328 -1.247 10.509 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.282 -0.358 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.676 -2.402 8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.881 -3.333 9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.031 -1.349 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.677 -2.176 10.902 1.00 0.00 H new ATOM 536 N ALA A 38 5.531 0.845 9.079 1.00 0.00 N ATOM 537 CA ALA A 38 5.988 2.223 9.037 1.00 0.00 C ATOM 538 C ALA A 38 6.863 2.429 7.800 1.00 0.00 C ATOM 539 O ALA A 38 6.546 3.249 6.939 1.00 0.00 O ATOM 540 CB ALA A 38 6.726 2.556 10.335 1.00 0.00 C ATOM 0 H ALA A 38 6.076 0.233 9.687 1.00 0.00 H new ATOM 0 HA ALA A 38 5.142 2.905 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.069 3.590 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.052 2.423 11.181 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.584 1.893 10.446 1.00 0.00 H new ATOM 546 N VAL A 39 7.948 1.670 7.749 1.00 0.00 N ATOM 547 CA VAL A 39 8.872 1.759 6.631 1.00 0.00 C ATOM 548 C VAL A 39 8.079 1.899 5.330 1.00 0.00 C ATOM 549 O VAL A 39 8.395 2.745 4.495 1.00 0.00 O ATOM 550 CB VAL A 39 9.811 0.551 6.631 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.363 0.285 5.229 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.945 0.738 7.641 1.00 0.00 C ATOM 0 H VAL A 39 8.208 0.991 8.464 1.00 0.00 H new ATOM 0 HA VAL A 39 9.502 2.644 6.725 1.00 0.00 H new ATOM 0 HB VAL A 39 9.233 -0.322 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.027 -0.579 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.538 0.086 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.917 1.158 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.598 -0.135 7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.520 1.627 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.526 0.855 8.641 1.00 0.00 H new ATOM 562 N PHE A 40 7.064 1.057 5.199 1.00 0.00 N ATOM 563 CA PHE A 40 6.224 1.077 4.013 1.00 0.00 C ATOM 564 C PHE A 40 5.412 2.372 3.939 1.00 0.00 C ATOM 565 O PHE A 40 5.575 3.158 3.007 1.00 0.00 O ATOM 566 CB PHE A 40 5.263 -0.107 4.127 1.00 0.00 C ATOM 567 CG PHE A 40 4.256 -0.204 2.979 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.129 0.557 2.997 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.488 -1.051 1.940 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.194 0.467 1.931 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.554 -1.141 0.875 1.00 0.00 C ATOM 572 CZ PHE A 40 2.427 -0.379 0.893 1.00 0.00 C ATOM 0 H PHE A 40 6.804 0.357 5.894 1.00 0.00 H new ATOM 0 HA PHE A 40 6.842 1.015 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.842 -1.029 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.719 -0.031 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.945 1.230 3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.383 -1.655 1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.299 1.071 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.738 -1.814 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.717 -0.446 0.082 1.00 0.00 H new ATOM 582 N ALA A 41 4.555 2.554 4.933 1.00 0.00 N ATOM 583 CA ALA A 41 3.718 3.740 4.991 1.00 0.00 C ATOM 584 C ALA A 41 4.522 4.951 4.516 1.00 0.00 C ATOM 585 O ALA A 41 3.966 5.880 3.932 1.00 0.00 O ATOM 586 CB ALA A 41 3.183 3.917 6.414 1.00 0.00 C ATOM 0 H ALA A 41 4.422 1.900 5.704 1.00 0.00 H new ATOM 0 HA ALA A 41 2.858 3.636 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.555 4.807 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.594 3.043 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.018 4.028 7.106 1.00 0.00 H new ATOM 592 N ARG A 42 5.819 4.902 4.783 1.00 0.00 N ATOM 593 CA ARG A 42 6.706 5.984 4.389 1.00 0.00 C ATOM 594 C ARG A 42 6.906 5.981 2.872 1.00 0.00 C ATOM 595 O ARG A 42 6.697 6.998 2.213 1.00 0.00 O ATOM 596 CB ARG A 42 8.067 5.858 5.076 1.00 0.00 C ATOM 597 CG ARG A 42 8.958 7.058 4.752 1.00 0.00 C ATOM 598 CD ARG A 42 8.263 8.372 5.116 1.00 0.00 C ATOM 599 NE ARG A 42 9.184 9.235 5.889 1.00 0.00 N ATOM 600 CZ ARG A 42 8.806 10.346 6.535 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.525 10.736 6.506 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.711 11.068 7.211 1.00 0.00 N ATOM 0 H ARG A 42 6.277 4.130 5.267 1.00 0.00 H new ATOM 0 HA ARG A 42 6.242 6.921 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.928 5.784 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.557 4.939 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.897 6.976 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.206 7.055 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.943 8.887 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.366 8.169 5.700 1.00 0.00 H new ATOM 0 HE ARG A 42 10.167 8.967 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.836 10.187 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.238 11.582 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.687 10.771 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.424 11.914 7.703 1.00 0.00 H new ATOM 616 N VAL A 43 7.308 4.826 2.363 1.00 0.00 N ATOM 617 CA VAL A 43 7.539 4.677 0.936 1.00 0.00 C ATOM 618 C VAL A 43 6.209 4.389 0.236 1.00 0.00 C ATOM 619 O VAL A 43 6.181 4.114 -0.963 1.00 0.00 O ATOM 620 CB VAL A 43 8.593 3.596 0.686 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.852 3.856 1.515 1.00 0.00 C ATOM 622 CG2 VAL A 43 8.027 2.203 0.969 1.00 0.00 C ATOM 0 H VAL A 43 7.480 3.984 2.913 1.00 0.00 H new ATOM 0 HA VAL A 43 7.935 5.601 0.515 1.00 0.00 H new ATOM 0 HB VAL A 43 8.872 3.636 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.585 3.073 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.273 4.824 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.596 3.856 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.796 1.453 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.707 2.145 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.174 2.017 0.316 1.00 0.00 H new ATOM 632 N ALA A 44 5.139 4.460 1.015 1.00 0.00 N ATOM 633 CA ALA A 44 3.810 4.210 0.485 1.00 0.00 C ATOM 634 C ALA A 44 3.093 5.545 0.267 1.00 0.00 C ATOM 635 O ALA A 44 2.666 5.850 -0.845 1.00 0.00 O ATOM 636 CB ALA A 44 3.046 3.287 1.436 1.00 0.00 C ATOM 0 H ALA A 44 5.166 4.687 2.009 1.00 0.00 H new ATOM 0 HA ALA A 44 3.870 3.706 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.049 3.100 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.581 2.342 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.963 3.760 2.414 1.00 0.00 H new ATOM 642 N PHE A 45 2.984 6.304 1.347 1.00 0.00 N ATOM 643 CA PHE A 45 2.326 7.599 1.289 1.00 0.00 C ATOM 644 C PHE A 45 2.871 8.539 2.365 1.00 0.00 C ATOM 645 O PHE A 45 2.145 9.393 2.874 1.00 0.00 O ATOM 646 CB PHE A 45 0.838 7.356 1.545 1.00 0.00 C ATOM 647 CG PHE A 45 0.555 6.281 2.596 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.764 4.970 2.301 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.094 6.636 3.826 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.501 3.972 3.277 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.169 5.638 4.801 1.00 0.00 C ATOM 652 CZ PHE A 45 0.040 4.327 4.506 1.00 0.00 C ATOM 0 H PHE A 45 3.340 6.047 2.268 1.00 0.00 H new ATOM 0 HA PHE A 45 2.501 8.063 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.377 8.291 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.361 7.068 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.130 4.688 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.072 7.677 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.667 2.931 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.535 5.920 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.160 3.568 5.248 1.00 0.00 H new ATOM 662 N ASN A 46 4.144 8.352 2.681 1.00 0.00 N ATOM 663 CA ASN A 46 4.794 9.173 3.688 1.00 0.00 C ATOM 664 C ASN A 46 3.946 9.178 4.961 1.00 0.00 C ATOM 665 O ASN A 46 3.418 10.217 5.356 1.00 0.00 O ATOM 666 CB ASN A 46 4.937 10.620 3.210 1.00 0.00 C ATOM 667 CG ASN A 46 5.940 11.386 4.076 1.00 0.00 C ATOM 668 OD1 ASN A 46 7.145 11.260 3.934 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.376 12.185 4.977 1.00 0.00 N ATOM 0 H ASN A 46 4.743 7.643 2.257 1.00 0.00 H new ATOM 0 HA ASN A 46 5.783 8.755 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.264 10.633 2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.967 11.116 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.960 12.740 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.360 12.243 5.042 1.00 0.00 H new ATOM 676 N ARG A 47 3.841 8.005 5.569 1.00 0.00 N ATOM 677 CA ARG A 47 3.066 7.861 6.789 1.00 0.00 C ATOM 678 C ARG A 47 3.809 6.971 7.788 1.00 0.00 C ATOM 679 O ARG A 47 4.918 6.516 7.513 1.00 0.00 O ATOM 680 CB ARG A 47 1.691 7.255 6.500 1.00 0.00 C ATOM 681 CG ARG A 47 0.623 8.346 6.390 1.00 0.00 C ATOM 682 CD ARG A 47 0.404 9.037 7.737 1.00 0.00 C ATOM 683 NE ARG A 47 -0.030 10.435 7.523 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.426 11.257 8.505 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.445 10.826 9.773 1.00 0.00 N ATOM 686 NH2 ARG A 47 -0.803 12.511 8.218 1.00 0.00 N ATOM 0 H ARG A 47 4.280 7.146 5.239 1.00 0.00 H new ATOM 0 HA ARG A 47 2.930 8.855 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.729 6.684 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.423 6.557 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.925 9.082 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.314 7.909 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.348 8.498 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.326 9.018 8.319 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.028 10.796 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.158 9.872 9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.746 11.452 10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.789 12.840 7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.104 13.137 8.965 1.00 0.00 H new ATOM 700 N THR A 48 3.167 6.749 8.925 1.00 0.00 N ATOM 701 CA THR A 48 3.753 5.921 9.966 1.00 0.00 C ATOM 702 C THR A 48 3.088 4.543 9.988 1.00 0.00 C ATOM 703 O THR A 48 2.621 4.058 8.959 1.00 0.00 O ATOM 704 CB THR A 48 3.634 6.674 11.292 1.00 0.00 C ATOM 705 OG1 THR A 48 2.229 6.774 11.510 1.00 0.00 O ATOM 706 CG2 THR A 48 4.098 8.128 11.183 1.00 0.00 C ATOM 0 H THR A 48 2.247 7.128 9.149 1.00 0.00 H new ATOM 0 HA THR A 48 4.810 5.735 9.775 1.00 0.00 H new ATOM 0 HB THR A 48 4.221 6.161 12.054 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.061 7.248 12.351 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.993 8.617 12.151 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.143 8.154 10.875 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.489 8.650 10.445 1.00 0.00 H new ATOM 714 N GLN A 49 3.067 3.951 11.173 1.00 0.00 N ATOM 715 CA GLN A 49 2.468 2.638 11.343 1.00 0.00 C ATOM 716 C GLN A 49 1.114 2.760 12.044 1.00 0.00 C ATOM 717 O GLN A 49 0.111 2.236 11.561 1.00 0.00 O ATOM 718 CB GLN A 49 3.403 1.704 12.114 1.00 0.00 C ATOM 719 CG GLN A 49 2.707 0.382 12.445 1.00 0.00 C ATOM 720 CD GLN A 49 2.144 0.400 13.868 1.00 0.00 C ATOM 721 OE1 GLN A 49 2.147 1.410 14.552 1.00 0.00 O ATOM 722 NE2 GLN A 49 1.661 -0.771 14.273 1.00 0.00 N ATOM 0 H GLN A 49 3.455 4.356 12.025 1.00 0.00 H new ATOM 0 HA GLN A 49 2.307 2.203 10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.298 1.510 11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.728 2.188 13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.901 0.203 11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.414 -0.441 12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.690 -1.578 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.262 -0.862 15.207 1.00 0.00 H new ATOM 731 N GLY A 50 1.128 3.453 13.173 1.00 0.00 N ATOM 732 CA GLY A 50 -0.087 3.650 13.946 1.00 0.00 C ATOM 733 C GLY A 50 -1.276 3.950 13.031 1.00 0.00 C ATOM 734 O GLY A 50 -2.414 3.617 13.358 1.00 0.00 O ATOM 0 H GLY A 50 1.962 3.885 13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.295 2.758 14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.053 4.472 14.648 1.00 0.00 H new ATOM 738 N LEU A 51 -0.971 4.574 11.903 1.00 0.00 N ATOM 739 CA LEU A 51 -2.001 4.922 10.939 1.00 0.00 C ATOM 740 C LEU A 51 -2.267 3.722 10.028 1.00 0.00 C ATOM 741 O LEU A 51 -3.340 3.122 10.083 1.00 0.00 O ATOM 742 CB LEU A 51 -1.618 6.196 10.182 1.00 0.00 C ATOM 743 CG LEU A 51 -2.486 6.542 8.970 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.969 5.847 7.709 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.957 6.222 9.240 1.00 0.00 C ATOM 0 H LEU A 51 -0.026 4.848 11.635 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.938 5.150 11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.652 7.033 10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.585 6.100 9.849 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.418 7.616 8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.604 6.110 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.947 6.168 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.988 4.767 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.552 6.477 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.065 5.159 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.304 6.802 10.095 1.00 0.00 H new ATOM 757 N LEU A 52 -1.273 3.408 9.211 1.00 0.00 N ATOM 758 CA LEU A 52 -1.386 2.290 8.290 1.00 0.00 C ATOM 759 C LEU A 52 -2.067 1.117 8.999 1.00 0.00 C ATOM 760 O LEU A 52 -2.742 0.310 8.363 1.00 0.00 O ATOM 761 CB LEU A 52 -0.018 1.941 7.699 1.00 0.00 C ATOM 762 CG LEU A 52 0.066 0.616 6.939 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.900 0.602 5.753 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.505 0.321 6.510 1.00 0.00 C ATOM 0 H LEU A 52 -0.385 3.908 9.167 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.015 2.559 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.280 2.744 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.711 1.919 8.509 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.240 -0.184 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.820 -0.351 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.920 0.734 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.649 1.413 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.537 -0.626 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.862 1.120 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.142 0.259 7.392 1.00 0.00 H new ATOM 776 N SER A 53 -1.864 1.060 10.307 1.00 0.00 N ATOM 777 CA SER A 53 -2.450 0.000 11.110 1.00 0.00 C ATOM 778 C SER A 53 -3.975 0.124 11.108 1.00 0.00 C ATOM 779 O SER A 53 -4.679 -0.838 10.806 1.00 0.00 O ATOM 780 CB SER A 53 -1.916 0.035 12.543 1.00 0.00 C ATOM 781 OG SER A 53 -2.148 -1.192 13.229 1.00 0.00 O ATOM 0 H SER A 53 -1.302 1.731 10.831 1.00 0.00 H new ATOM 0 HA SER A 53 -2.169 -0.957 10.670 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.846 0.244 12.526 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.392 0.850 13.088 1.00 0.00 H new ATOM 0 HG SER A 53 -1.537 -1.260 13.993 1.00 0.00 H new ATOM 787 N GLU A 54 -4.440 1.316 11.450 1.00 0.00 N ATOM 788 CA GLU A 54 -5.869 1.579 11.492 1.00 0.00 C ATOM 789 C GLU A 54 -6.495 1.328 10.118 1.00 0.00 C ATOM 790 O GLU A 54 -7.622 0.846 10.025 1.00 0.00 O ATOM 791 CB GLU A 54 -6.151 3.004 11.972 1.00 0.00 C ATOM 792 CG GLU A 54 -6.262 3.968 10.789 1.00 0.00 C ATOM 793 CD GLU A 54 -6.341 5.419 11.271 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.451 5.805 12.059 1.00 0.00 O ATOM 795 OE2 GLU A 54 -7.290 6.109 10.839 1.00 0.00 O ATOM 0 H GLU A 54 -3.853 2.111 11.701 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.324 0.894 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.076 3.021 12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.354 3.331 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.400 3.845 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.148 3.727 10.201 1.00 0.00 H new ATOM 802 N ILE A 55 -5.736 1.668 9.087 1.00 0.00 N ATOM 803 CA ILE A 55 -6.202 1.486 7.723 1.00 0.00 C ATOM 804 C ILE A 55 -6.269 -0.009 7.406 1.00 0.00 C ATOM 805 O ILE A 55 -6.892 -0.412 6.425 1.00 0.00 O ATOM 806 CB ILE A 55 -5.333 2.283 6.748 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.306 3.766 7.124 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.787 2.065 5.304 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.322 4.537 6.242 1.00 0.00 C ATOM 0 H ILE A 55 -4.801 2.069 9.169 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.211 1.882 7.610 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.310 1.914 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.304 4.190 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.023 3.874 8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.153 2.643 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.711 1.007 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.822 2.390 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.322 5.588 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.320 4.126 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.621 4.447 5.198 1.00 0.00 H new ATOM 821 N LEU A 56 -5.618 -0.791 8.255 1.00 0.00 N ATOM 822 CA LEU A 56 -5.596 -2.233 8.078 1.00 0.00 C ATOM 823 C LEU A 56 -6.529 -2.883 9.102 1.00 0.00 C ATOM 824 O LEU A 56 -6.876 -4.056 8.974 1.00 0.00 O ATOM 825 CB LEU A 56 -4.160 -2.757 8.135 1.00 0.00 C ATOM 826 CG LEU A 56 -3.216 -2.246 7.045 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.761 -2.280 7.519 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.412 -3.022 5.741 1.00 0.00 C ATOM 0 H LEU A 56 -5.102 -0.453 9.067 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.970 -2.501 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.737 -2.496 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.189 -3.845 8.082 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.464 -1.205 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.111 -1.912 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.651 -1.649 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.484 -3.304 7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.729 -2.639 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.208 -4.079 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.439 -2.902 5.397 1.00 0.00 H new ATOM 840 N ARG A 57 -6.908 -2.092 10.095 1.00 0.00 N ATOM 841 CA ARG A 57 -7.794 -2.576 11.141 1.00 0.00 C ATOM 842 C ARG A 57 -9.252 -2.298 10.771 1.00 0.00 C ATOM 843 O ARG A 57 -10.071 -3.215 10.729 1.00 0.00 O ATOM 844 CB ARG A 57 -7.479 -1.909 12.481 1.00 0.00 C ATOM 845 CG ARG A 57 -6.270 -2.567 13.150 1.00 0.00 C ATOM 846 CD ARG A 57 -6.128 -2.104 14.602 1.00 0.00 C ATOM 847 NE ARG A 57 -4.878 -1.328 14.765 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.393 -0.925 15.948 1.00 0.00 C ATOM 849 NH1 ARG A 57 -5.049 -1.223 17.077 1.00 0.00 N ATOM 850 NH2 ARG A 57 -3.251 -0.225 16.000 1.00 0.00 N ATOM 0 H ARG A 57 -6.618 -1.119 10.198 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.638 -3.651 11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.281 -0.848 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.346 -1.978 13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.378 -3.651 13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.364 -2.321 12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.985 -1.492 14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.120 -2.966 15.268 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.353 -1.085 13.925 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.917 -1.756 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.680 -0.916 17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.752 0.001 15.140 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.881 0.082 16.900 1.00 0.00 H new ATOM 864 N LYS A 58 -9.533 -1.029 10.512 1.00 0.00 N ATOM 865 CA LYS A 58 -10.878 -0.620 10.148 1.00 0.00 C ATOM 866 C LYS A 58 -11.083 -0.836 8.647 1.00 0.00 C ATOM 867 O LYS A 58 -12.209 -1.032 8.192 1.00 0.00 O ATOM 868 CB LYS A 58 -11.143 0.816 10.604 1.00 0.00 C ATOM 869 CG LYS A 58 -10.808 0.991 12.086 1.00 0.00 C ATOM 870 CD LYS A 58 -9.744 2.073 12.284 1.00 0.00 C ATOM 871 CE LYS A 58 -10.247 3.433 11.795 1.00 0.00 C ATOM 872 NZ LYS A 58 -11.402 3.880 12.606 1.00 0.00 N ATOM 0 H LYS A 58 -8.852 -0.271 10.547 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.616 -1.235 10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.546 1.507 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.189 1.069 10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.710 1.258 12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.451 0.046 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.478 2.138 13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.838 1.800 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.445 4.168 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.536 3.365 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.571 4.893 12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.247 3.339 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.200 3.723 13.614 1.00 0.00 H new ATOM 886 N GLU A 59 -9.977 -0.793 7.919 1.00 0.00 N ATOM 887 CA GLU A 59 -10.022 -0.982 6.479 1.00 0.00 C ATOM 888 C GLU A 59 -11.064 -0.053 5.853 1.00 0.00 C ATOM 889 O GLU A 59 -11.938 -0.503 5.113 1.00 0.00 O ATOM 890 CB GLU A 59 -10.307 -2.443 6.126 1.00 0.00 C ATOM 891 CG GLU A 59 -9.080 -3.320 6.386 1.00 0.00 C ATOM 892 CD GLU A 59 -9.239 -4.693 5.730 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.393 -5.169 5.681 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.201 -5.236 5.293 1.00 0.00 O ATOM 0 H GLU A 59 -9.045 -0.630 8.299 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.045 -0.728 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.149 -2.806 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.596 -2.518 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.188 -2.828 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.935 -3.440 7.460 1.00 0.00 H new ATOM 901 N GLU A 60 -10.938 1.226 6.174 1.00 0.00 N ATOM 902 CA GLU A 60 -11.859 2.222 5.653 1.00 0.00 C ATOM 903 C GLU A 60 -12.053 2.030 4.147 1.00 0.00 C ATOM 904 O GLU A 60 -11.176 2.372 3.356 1.00 0.00 O ATOM 905 CB GLU A 60 -11.370 3.638 5.966 1.00 0.00 C ATOM 906 CG GLU A 60 -12.232 4.289 7.050 1.00 0.00 C ATOM 907 CD GLU A 60 -12.593 5.727 6.673 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.731 6.605 6.893 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.724 5.916 6.174 1.00 0.00 O ATOM 0 H GLU A 60 -10.212 1.596 6.788 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.823 2.089 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.331 3.604 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.398 4.245 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.143 3.707 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.696 4.282 7.999 1.00 0.00 H new ATOM 916 N ASP A 61 -13.208 1.483 3.797 1.00 0.00 N ATOM 917 CA ASP A 61 -13.528 1.241 2.401 1.00 0.00 C ATOM 918 C ASP A 61 -13.119 2.459 1.569 1.00 0.00 C ATOM 919 O ASP A 61 -13.369 3.596 1.964 1.00 0.00 O ATOM 920 CB ASP A 61 -15.030 1.021 2.210 1.00 0.00 C ATOM 921 CG ASP A 61 -15.712 0.219 3.320 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.951 0.820 4.390 1.00 0.00 O ATOM 923 OD2 ASP A 61 -15.980 -0.977 3.074 1.00 0.00 O ATOM 0 H ASP A 61 -13.933 1.201 4.456 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.989 0.349 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.517 1.993 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.189 0.508 1.261 1.00 0.00 H new ATOM 928 N PRO A 62 -12.481 2.171 0.404 1.00 0.00 N ATOM 929 CA PRO A 62 -12.035 3.229 -0.486 1.00 0.00 C ATOM 930 C PRO A 62 -13.215 3.842 -1.244 1.00 0.00 C ATOM 931 O PRO A 62 -13.033 4.750 -2.053 1.00 0.00 O ATOM 932 CB PRO A 62 -11.019 2.569 -1.404 1.00 0.00 C ATOM 933 CG PRO A 62 -11.274 1.074 -1.302 1.00 0.00 C ATOM 934 CD PRO A 62 -12.168 0.835 -0.096 1.00 0.00 C ATOM 0 HA PRO A 62 -11.585 4.066 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.137 2.916 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.001 2.813 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.751 0.705 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.334 0.533 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.073 0.294 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.660 0.238 0.661 1.00 0.00 H new ATOM 942 N ARG A 63 -14.398 3.320 -0.954 1.00 0.00 N ATOM 943 CA ARG A 63 -15.607 3.805 -1.598 1.00 0.00 C ATOM 944 C ARG A 63 -16.231 4.934 -0.774 1.00 0.00 C ATOM 945 O ARG A 63 -16.809 5.866 -1.331 1.00 0.00 O ATOM 946 CB ARG A 63 -16.630 2.680 -1.766 1.00 0.00 C ATOM 947 CG ARG A 63 -16.063 1.546 -2.623 1.00 0.00 C ATOM 948 CD ARG A 63 -16.339 1.791 -4.107 1.00 0.00 C ATOM 949 NE ARG A 63 -16.785 0.536 -4.753 1.00 0.00 N ATOM 950 CZ ARG A 63 -18.004 0.003 -4.597 1.00 0.00 C ATOM 951 NH1 ARG A 63 -18.907 0.613 -3.816 1.00 0.00 N ATOM 952 NH2 ARG A 63 -18.322 -1.139 -5.222 1.00 0.00 N ATOM 0 H ARG A 63 -14.545 2.567 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.331 4.180 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.915 2.294 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.535 3.073 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.989 1.463 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.507 0.598 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.103 2.560 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.438 2.162 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.123 0.046 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -18.666 1.483 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -19.835 0.207 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.636 -1.603 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.250 -1.544 -5.103 1.00 0.00 H new ATOM 966 N THR A 64 -16.092 4.812 0.538 1.00 0.00 N ATOM 967 CA THR A 64 -16.635 5.810 1.443 1.00 0.00 C ATOM 968 C THR A 64 -15.505 6.543 2.169 1.00 0.00 C ATOM 969 O THR A 64 -15.704 7.639 2.690 1.00 0.00 O ATOM 970 CB THR A 64 -17.611 5.109 2.390 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.838 4.064 2.974 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.726 4.375 1.643 1.00 0.00 C ATOM 0 H THR A 64 -15.611 4.037 0.996 1.00 0.00 H new ATOM 0 HA THR A 64 -17.183 6.580 0.900 1.00 0.00 H new ATOM 0 HB THR A 64 -18.049 5.842 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.394 3.559 3.604 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.391 3.895 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.293 5.088 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.290 3.619 0.990 1.00 0.00 H new ATOM 980 N ALA A 65 -14.342 5.907 2.180 1.00 0.00 N ATOM 981 CA ALA A 65 -13.180 6.484 2.834 1.00 0.00 C ATOM 982 C ALA A 65 -13.133 7.986 2.547 1.00 0.00 C ATOM 983 O ALA A 65 -13.512 8.427 1.464 1.00 0.00 O ATOM 984 CB ALA A 65 -11.917 5.761 2.362 1.00 0.00 C ATOM 0 H ALA A 65 -14.180 4.998 1.746 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.244 6.356 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.045 6.194 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.988 4.703 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.817 5.870 1.282 1.00 0.00 H new ATOM 990 N SER A 66 -12.664 8.731 3.538 1.00 0.00 N ATOM 991 CA SER A 66 -12.563 10.174 3.406 1.00 0.00 C ATOM 992 C SER A 66 -11.363 10.536 2.529 1.00 0.00 C ATOM 993 O SER A 66 -10.350 9.838 2.537 1.00 0.00 O ATOM 994 CB SER A 66 -12.441 10.845 4.776 1.00 0.00 C ATOM 995 OG SER A 66 -13.584 11.637 5.086 1.00 0.00 O ATOM 0 H SER A 66 -12.350 8.362 4.435 1.00 0.00 H new ATOM 0 HA SER A 66 -13.474 10.539 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.310 10.082 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.550 11.472 4.795 1.00 0.00 H new ATOM 0 HG SER A 66 -13.468 12.047 5.969 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.515 11.628 1.794 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.457 12.092 0.914 1.00 0.00 C ATOM 1003 C GLN A 67 -9.099 11.975 1.609 1.00 0.00 C ATOM 1004 O GLN A 67 -8.131 11.504 1.013 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.715 13.528 0.454 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.197 13.561 -0.998 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.391 15.000 -1.479 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.757 15.930 -1.008 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.299 15.131 -2.441 1.00 0.00 N ATOM 0 H GLN A 67 -12.356 12.205 1.790 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.446 11.458 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.461 13.992 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.801 14.114 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.473 13.055 -1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.136 13.015 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.794 14.310 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.501 16.052 -2.830 1.00 0.00 H new ATOM 1018 N SER A 68 -9.070 12.411 2.859 1.00 0.00 N ATOM 1019 CA SER A 68 -7.847 12.361 3.642 1.00 0.00 C ATOM 1020 C SER A 68 -7.259 10.949 3.604 1.00 0.00 C ATOM 1021 O SER A 68 -6.055 10.780 3.417 1.00 0.00 O ATOM 1022 CB SER A 68 -8.100 12.792 5.088 1.00 0.00 C ATOM 1023 OG SER A 68 -7.520 14.061 5.377 1.00 0.00 O ATOM 0 H SER A 68 -9.875 12.801 3.350 1.00 0.00 H new ATOM 0 HA SER A 68 -7.132 13.058 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.174 12.834 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.690 12.043 5.766 1.00 0.00 H new ATOM 0 HG SER A 68 -7.705 14.301 6.309 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.135 9.972 3.783 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.718 8.581 3.771 1.00 0.00 C ATOM 1031 C LEU A 69 -7.443 8.147 2.330 1.00 0.00 C ATOM 1032 O LEU A 69 -6.353 7.669 2.019 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.747 7.707 4.491 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.195 6.471 5.205 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.205 5.927 6.218 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.760 5.404 4.199 1.00 0.00 C ATOM 0 H LEU A 69 -9.133 10.117 3.937 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.787 8.458 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.268 8.323 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.490 7.380 3.763 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.307 6.767 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.788 5.049 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.422 6.693 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.125 5.651 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.372 4.537 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.616 5.104 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.982 5.810 3.552 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.450 8.330 1.489 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.331 7.964 0.088 1.00 0.00 C ATOM 1050 C LEU A 70 -6.977 8.437 -0.445 1.00 0.00 C ATOM 1051 O LEU A 70 -6.287 7.696 -1.144 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.524 8.494 -0.708 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.711 7.539 -0.855 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.973 8.293 -1.278 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.378 6.395 -1.815 1.00 0.00 C ATOM 0 H LEU A 70 -9.352 8.727 1.751 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.358 6.880 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.876 9.409 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.178 8.767 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.914 7.094 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.801 7.591 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.219 9.042 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.800 8.784 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.238 5.731 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.134 6.803 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.525 5.835 -1.432 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.637 9.669 -0.095 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.378 10.250 -0.529 1.00 0.00 C ATOM 1069 C VAL A 71 -4.243 9.263 -0.251 1.00 0.00 C ATOM 1070 O VAL A 71 -3.335 9.109 -1.067 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.168 11.607 0.145 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.681 11.961 0.214 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.960 12.703 -0.570 1.00 0.00 C ATOM 0 H VAL A 71 -7.212 10.281 0.484 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.393 10.434 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.543 11.535 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.560 12.930 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.152 11.200 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.270 12.005 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.793 13.657 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.630 12.773 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.022 12.461 -0.543 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.331 8.618 0.903 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.322 7.650 1.298 1.00 0.00 C ATOM 1085 C ASN A 72 -3.536 6.351 0.519 1.00 0.00 C ATOM 1086 O ASN A 72 -2.595 5.805 -0.056 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.423 7.328 2.791 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.890 8.485 3.638 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.805 9.000 3.420 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.710 8.864 4.613 1.00 0.00 N ATOM 0 H ASN A 72 -5.086 8.747 1.577 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.342 8.078 1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.462 7.128 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.859 6.422 3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.445 9.629 5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.604 8.390 4.740 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.779 5.892 0.525 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.128 4.667 -0.174 1.00 0.00 C ATOM 1099 C LEU A 73 -4.614 4.742 -1.613 1.00 0.00 C ATOM 1100 O LEU A 73 -3.934 3.830 -2.081 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.632 4.401 -0.071 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.219 4.407 1.342 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.733 4.193 1.308 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.515 3.380 2.232 1.00 0.00 C ATOM 0 H LEU A 73 -5.557 6.347 1.003 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.643 3.810 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.155 5.152 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.842 3.433 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.043 5.389 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.125 4.202 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.201 4.992 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.954 3.233 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.951 3.404 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.639 2.384 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.453 3.619 2.294 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.959 5.836 -2.275 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.541 6.042 -3.651 1.00 0.00 C ATOM 1118 C ARG A 74 -3.014 6.024 -3.750 1.00 0.00 C ATOM 1119 O ARG A 74 -2.455 5.406 -4.654 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.065 7.373 -4.193 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.413 7.189 -4.892 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.904 8.507 -5.493 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.283 8.307 -6.910 1.00 0.00 N ATOM 1124 CZ ARG A 74 -7.685 9.291 -7.725 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -7.765 10.549 -7.270 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -8.009 9.017 -8.997 1.00 0.00 N ATOM 0 H ARG A 74 -5.524 6.590 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.957 5.231 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.170 8.086 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.343 7.794 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.320 6.439 -5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.148 6.814 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.759 8.878 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.122 9.263 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.235 7.361 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.520 10.758 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.071 11.298 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.949 8.060 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.315 9.766 -9.618 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.384 6.710 -2.808 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.933 6.781 -2.778 1.00 0.00 C ATOM 1142 C ALA A 75 -0.359 5.365 -2.698 1.00 0.00 C ATOM 1143 O ALA A 75 0.510 4.998 -3.487 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.489 7.657 -1.605 1.00 0.00 C ATOM 0 H ALA A 75 -2.852 7.222 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.552 7.240 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.599 7.710 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.899 8.660 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.851 7.226 -0.672 1.00 0.00 H new ATOM 1150 N MET A 76 -0.869 4.607 -1.738 1.00 0.00 N ATOM 1151 CA MET A 76 -0.418 3.240 -1.544 1.00 0.00 C ATOM 1152 C MET A 76 -0.516 2.441 -2.846 1.00 0.00 C ATOM 1153 O MET A 76 0.492 1.957 -3.358 1.00 0.00 O ATOM 1154 CB MET A 76 -1.273 2.568 -0.467 1.00 0.00 C ATOM 1155 CG MET A 76 -0.892 3.071 0.927 1.00 0.00 C ATOM 1156 SD MET A 76 -1.943 2.316 2.156 1.00 0.00 S ATOM 1157 CE MET A 76 -2.988 3.704 2.566 1.00 0.00 C ATOM 0 H MET A 76 -1.591 4.914 -1.086 1.00 0.00 H new ATOM 0 HA MET A 76 0.626 3.262 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.327 2.771 -0.655 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.143 1.487 -0.516 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.152 2.836 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.989 4.156 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.721 3.400 3.313 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.377 4.514 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.505 4.047 1.670 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.739 2.328 -3.343 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.982 1.597 -4.574 1.00 0.00 C ATOM 1169 C GLN A 77 -0.989 2.032 -5.654 1.00 0.00 C ATOM 1170 O GLN A 77 -0.610 1.235 -6.511 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.424 1.784 -5.048 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.732 0.875 -6.240 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.559 -0.338 -5.805 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.565 -0.224 -5.124 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.079 -1.501 -6.235 1.00 0.00 N ATOM 0 H GLN A 77 -2.572 2.731 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.834 0.535 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.111 1.563 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.586 2.825 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.276 1.437 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.801 0.540 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.231 -1.525 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.558 -2.370 -5.998 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.597 3.295 -5.578 1.00 0.00 N ATOM 1185 CA ASN A 78 0.345 3.845 -6.539 1.00 0.00 C ATOM 1186 C ASN A 78 1.726 3.231 -6.302 1.00 0.00 C ATOM 1187 O ASN A 78 2.473 2.992 -7.249 1.00 0.00 O ATOM 1188 CB ASN A 78 0.468 5.362 -6.382 1.00 0.00 C ATOM 1189 CG ASN A 78 0.344 6.065 -7.735 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.705 5.538 -8.773 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.186 7.283 -7.664 1.00 0.00 N ATOM 0 H ASN A 78 -0.914 3.953 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.020 3.614 -7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.307 5.725 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.428 5.608 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.311 7.835 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.467 7.665 -6.761 1.00 0.00 H new ATOM 1198 N PHE A 79 2.023 2.993 -5.033 1.00 0.00 N ATOM 1199 CA PHE A 79 3.301 2.411 -4.660 1.00 0.00 C ATOM 1200 C PHE A 79 3.319 0.906 -4.933 1.00 0.00 C ATOM 1201 O PHE A 79 4.340 0.359 -5.348 1.00 0.00 O ATOM 1202 CB PHE A 79 3.479 2.647 -3.159 1.00 0.00 C ATOM 1203 CG PHE A 79 4.686 1.928 -2.555 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.941 2.227 -2.985 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.505 0.989 -1.587 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.062 1.559 -2.424 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.625 0.321 -1.026 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.880 0.620 -1.457 1.00 0.00 C ATOM 0 H PHE A 79 1.400 3.193 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 79 4.102 2.868 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.579 3.717 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.578 2.320 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.085 2.972 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.508 0.752 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.059 1.797 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.481 -0.424 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.732 0.112 -1.031 1.00 0.00 H new ATOM 1218 N LEU A 80 2.177 0.279 -4.691 1.00 0.00 N ATOM 1219 CA LEU A 80 2.049 -1.152 -4.905 1.00 0.00 C ATOM 1220 C LEU A 80 2.116 -1.447 -6.405 1.00 0.00 C ATOM 1221 O LEU A 80 2.301 -2.594 -6.809 1.00 0.00 O ATOM 1222 CB LEU A 80 0.783 -1.684 -4.231 1.00 0.00 C ATOM 1223 CG LEU A 80 0.693 -1.480 -2.717 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.706 -1.819 -2.200 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.780 -2.275 -1.991 1.00 0.00 C ATOM 0 H LEU A 80 1.332 0.736 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 80 2.879 -1.682 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.080 -1.205 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.705 -2.751 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 80 0.868 -0.426 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.742 -1.665 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.439 -1.173 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.935 -2.860 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.694 -2.112 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.661 -3.336 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.761 -1.943 -2.330 1.00 0.00 H new ATOM 1237 N ASN A 81 1.963 -0.391 -7.191 1.00 0.00 N ATOM 1238 CA ASN A 81 2.004 -0.522 -8.637 1.00 0.00 C ATOM 1239 C ASN A 81 3.461 -0.594 -9.097 1.00 0.00 C ATOM 1240 O ASN A 81 3.771 -1.252 -10.089 1.00 0.00 O ATOM 1241 CB ASN A 81 1.352 0.684 -9.318 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.134 0.429 -9.579 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.563 -0.682 -9.842 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.892 1.518 -9.493 1.00 0.00 N ATOM 0 H ASN A 81 1.810 0.559 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 81 1.461 -1.427 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.468 1.567 -8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.860 0.893 -10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.898 1.453 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.468 2.418 -9.269 1.00 0.00 H new ATOM 1251 N LEU A 82 4.317 0.092 -8.354 1.00 0.00 N ATOM 1252 CA LEU A 82 5.735 0.114 -8.674 1.00 0.00 C ATOM 1253 C LEU A 82 6.216 -1.315 -8.935 1.00 0.00 C ATOM 1254 O LEU A 82 5.539 -2.277 -8.576 1.00 0.00 O ATOM 1255 CB LEU A 82 6.520 0.836 -7.577 1.00 0.00 C ATOM 1256 CG LEU A 82 6.553 2.363 -7.671 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.545 2.953 -6.667 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.846 2.818 -9.101 1.00 0.00 C ATOM 0 H LEU A 82 4.057 0.637 -7.532 1.00 0.00 H new ATOM 0 HA LEU A 82 5.911 0.682 -9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.095 0.560 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.546 0.469 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 82 5.565 2.743 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.549 4.039 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.250 2.672 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.544 2.569 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.864 3.907 -9.140 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.814 2.428 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.069 2.444 -9.768 1.00 0.00 H new ATOM 1270 N PRO A 83 7.413 -1.410 -9.574 1.00 0.00 N ATOM 1271 CA PRO A 83 7.993 -2.705 -9.888 1.00 0.00 C ATOM 1272 C PRO A 83 8.570 -3.365 -8.634 1.00 0.00 C ATOM 1273 O PRO A 83 9.295 -2.728 -7.871 1.00 0.00 O ATOM 1274 CB PRO A 83 9.045 -2.419 -10.947 1.00 0.00 C ATOM 1275 CG PRO A 83 9.338 -0.931 -10.851 1.00 0.00 C ATOM 1276 CD PRO A 83 8.242 -0.292 -10.014 1.00 0.00 C ATOM 0 HA PRO A 83 7.256 -3.417 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.946 -3.007 -10.771 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.681 -2.682 -11.940 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.314 -0.763 -10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.369 -0.483 -11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.658 0.251 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.664 0.424 -10.598 1.00 0.00 H new ATOM 1284 N GLU A 84 8.229 -4.634 -8.461 1.00 0.00 N ATOM 1285 CA GLU A 84 8.704 -5.387 -7.313 1.00 0.00 C ATOM 1286 C GLU A 84 10.196 -5.130 -7.091 1.00 0.00 C ATOM 1287 O GLU A 84 10.638 -4.959 -5.955 1.00 0.00 O ATOM 1288 CB GLU A 84 8.425 -6.881 -7.484 1.00 0.00 C ATOM 1289 CG GLU A 84 8.576 -7.303 -8.947 1.00 0.00 C ATOM 1290 CD GLU A 84 9.256 -8.669 -9.057 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.561 -9.673 -8.788 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.456 -8.679 -9.407 1.00 0.00 O ATOM 0 H GLU A 84 7.629 -5.159 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 84 8.161 -5.048 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.112 -7.456 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.416 -7.108 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.595 -7.342 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.161 -6.557 -9.486 1.00 0.00 H new ATOM 1299 N VAL A 85 10.931 -5.110 -8.193 1.00 0.00 N ATOM 1300 CA VAL A 85 12.364 -4.876 -8.132 1.00 0.00 C ATOM 1301 C VAL A 85 12.629 -3.529 -7.457 1.00 0.00 C ATOM 1302 O VAL A 85 13.576 -3.393 -6.684 1.00 0.00 O ATOM 1303 CB VAL A 85 12.970 -4.971 -9.534 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.230 -6.009 -10.381 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.976 -3.605 -10.222 1.00 0.00 C ATOM 0 H VAL A 85 10.561 -5.252 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 85 12.850 -5.643 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 85 14.005 -5.298 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.680 -6.057 -11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.300 -6.986 -9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.182 -5.724 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.412 -3.700 -11.217 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.954 -3.236 -10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.567 -2.904 -9.633 1.00 0.00 H new ATOM 1315 N GLU A 86 11.774 -2.567 -7.773 1.00 0.00 N ATOM 1316 CA GLU A 86 11.904 -1.235 -7.206 1.00 0.00 C ATOM 1317 C GLU A 86 11.565 -1.257 -5.715 1.00 0.00 C ATOM 1318 O GLU A 86 12.390 -0.888 -4.881 1.00 0.00 O ATOM 1319 CB GLU A 86 11.022 -0.233 -7.954 1.00 0.00 C ATOM 1320 CG GLU A 86 11.818 0.494 -9.040 1.00 0.00 C ATOM 1321 CD GLU A 86 12.844 -0.440 -9.685 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.460 -1.117 -10.663 1.00 0.00 O ATOM 1323 OE2 GLU A 86 13.990 -0.456 -9.186 1.00 0.00 O ATOM 0 H GLU A 86 10.989 -2.683 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 86 12.939 -0.913 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.176 -0.753 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.613 0.492 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.137 0.874 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.326 1.356 -8.608 1.00 0.00 H new ATOM 1330 N ARG A 87 10.348 -1.695 -5.423 1.00 0.00 N ATOM 1331 CA ARG A 87 9.890 -1.771 -4.047 1.00 0.00 C ATOM 1332 C ARG A 87 10.930 -2.481 -3.179 1.00 0.00 C ATOM 1333 O ARG A 87 11.282 -1.998 -2.104 1.00 0.00 O ATOM 1334 CB ARG A 87 8.559 -2.518 -3.950 1.00 0.00 C ATOM 1335 CG ARG A 87 7.572 -2.020 -5.008 1.00 0.00 C ATOM 1336 CD ARG A 87 6.127 -2.268 -4.569 1.00 0.00 C ATOM 1337 NE ARG A 87 5.641 -3.550 -5.129 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.849 -4.745 -4.559 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.534 -4.830 -3.411 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.371 -5.855 -5.138 1.00 0.00 N ATOM 0 H ARG A 87 9.666 -2.001 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 87 9.748 -0.751 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.728 -3.587 -4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.132 -2.381 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.726 -0.955 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.761 -2.527 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.068 -2.291 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.490 -1.450 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 87 5.115 -3.522 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.898 -3.985 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.692 -5.740 -2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.849 -5.790 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.529 -6.765 -4.705 1.00 0.00 H new ATOM 1354 N ASP A 88 11.394 -3.617 -3.678 1.00 0.00 N ATOM 1355 CA ASP A 88 12.388 -4.399 -2.962 1.00 0.00 C ATOM 1356 C ASP A 88 13.553 -3.492 -2.562 1.00 0.00 C ATOM 1357 O ASP A 88 14.009 -3.529 -1.420 1.00 0.00 O ATOM 1358 CB ASP A 88 12.943 -5.522 -3.840 1.00 0.00 C ATOM 1359 CG ASP A 88 13.547 -6.702 -3.076 1.00 0.00 C ATOM 1360 OD1 ASP A 88 13.631 -6.591 -1.834 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.912 -7.689 -3.751 1.00 0.00 O ATOM 0 H ASP A 88 11.100 -4.015 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 88 11.908 -4.832 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.141 -5.894 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.706 -5.105 -4.497 1.00 0.00 H new ATOM 1366 N ARG A 89 14.001 -2.699 -3.524 1.00 0.00 N ATOM 1367 CA ARG A 89 15.105 -1.784 -3.287 1.00 0.00 C ATOM 1368 C ARG A 89 14.658 -0.638 -2.377 1.00 0.00 C ATOM 1369 O ARG A 89 15.340 -0.307 -1.409 1.00 0.00 O ATOM 1370 CB ARG A 89 15.634 -1.207 -4.601 1.00 0.00 C ATOM 1371 CG ARG A 89 17.046 -1.717 -4.895 1.00 0.00 C ATOM 1372 CD ARG A 89 17.620 -1.051 -6.148 1.00 0.00 C ATOM 1373 NE ARG A 89 19.096 -1.156 -6.145 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.880 -0.744 -7.151 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.334 -0.197 -8.245 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.210 -0.878 -7.062 1.00 0.00 N ATOM 0 H ARG A 89 13.620 -2.671 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 89 15.904 -2.346 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.967 -1.482 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.641 -0.118 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.694 -1.515 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.025 -2.798 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.215 -1.527 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.322 -0.003 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 89 19.545 -1.567 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.321 -0.094 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.931 0.117 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.626 -1.294 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.807 -0.564 -7.828 1.00 0.00 H new ATOM 1390 N ILE A 90 13.514 -0.064 -2.721 1.00 0.00 N ATOM 1391 CA ILE A 90 12.968 1.038 -1.947 1.00 0.00 C ATOM 1392 C ILE A 90 13.002 0.678 -0.461 1.00 0.00 C ATOM 1393 O ILE A 90 13.559 1.418 0.348 1.00 0.00 O ATOM 1394 CB ILE A 90 11.575 1.412 -2.458 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.659 2.132 -3.805 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.811 2.233 -1.416 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.292 2.177 -4.490 1.00 0.00 C ATOM 0 H ILE A 90 12.951 -0.341 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 90 13.579 1.932 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 90 11.013 0.492 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 90 12.029 3.147 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.376 1.623 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.824 2.486 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.703 1.650 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.361 3.149 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.381 2.694 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.936 1.161 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.584 2.708 -3.854 1.00 0.00 H new ATOM 1409 N TYR A 91 12.398 -0.459 -0.146 1.00 0.00 N ATOM 1410 CA TYR A 91 12.353 -0.926 1.229 1.00 0.00 C ATOM 1411 C TYR A 91 13.760 -1.034 1.819 1.00 0.00 C ATOM 1412 O TYR A 91 13.990 -0.645 2.963 1.00 0.00 O ATOM 1413 CB TYR A 91 11.725 -2.320 1.181 1.00 0.00 C ATOM 1414 CG TYR A 91 10.284 -2.336 0.666 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.351 -1.471 1.201 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.917 -3.216 -0.332 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.995 -1.487 0.717 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.561 -3.231 -0.816 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.667 -2.365 -0.267 1.00 0.00 C ATOM 1420 OH TYR A 91 6.386 -2.380 -0.725 1.00 0.00 O ATOM 0 H TYR A 91 11.936 -1.070 -0.819 1.00 0.00 H new ATOM 0 HA TYR A 91 11.786 -0.233 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.335 -2.960 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.747 -2.752 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.638 -0.783 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.647 -3.893 -0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.255 -0.816 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.261 -3.914 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 91 6.223 -1.580 -1.267 1.00 0.00 H new ATOM 1430 N GLN A 92 14.667 -1.564 1.011 1.00 0.00 N ATOM 1431 CA GLN A 92 16.046 -1.728 1.438 1.00 0.00 C ATOM 1432 C GLN A 92 16.697 -0.362 1.666 1.00 0.00 C ATOM 1433 O GLN A 92 17.318 -0.132 2.702 1.00 0.00 O ATOM 1434 CB GLN A 92 16.840 -2.551 0.422 1.00 0.00 C ATOM 1435 CG GLN A 92 18.343 -2.456 0.695 1.00 0.00 C ATOM 1436 CD GLN A 92 18.711 -3.175 1.995 1.00 0.00 C ATOM 1437 OE1 GLN A 92 17.875 -3.742 2.679 1.00 0.00 O ATOM 1438 NE2 GLN A 92 20.005 -3.120 2.296 1.00 0.00 N ATOM 0 H GLN A 92 14.473 -1.885 0.063 1.00 0.00 H new ATOM 0 HA GLN A 92 16.051 -2.273 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.524 -3.593 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.627 -2.195 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.896 -2.894 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.639 -1.409 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.652 -2.628 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.351 -3.570 3.144 1.00 0.00 H new ATOM 1447 N ASP A 93 16.532 0.508 0.681 1.00 0.00 N ATOM 1448 CA ASP A 93 17.096 1.845 0.761 1.00 0.00 C ATOM 1449 C ASP A 93 16.329 2.655 1.809 1.00 0.00 C ATOM 1450 O ASP A 93 16.843 3.642 2.334 1.00 0.00 O ATOM 1451 CB ASP A 93 16.978 2.574 -0.579 1.00 0.00 C ATOM 1452 CG ASP A 93 18.303 2.804 -1.308 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.941 3.838 -1.015 1.00 0.00 O ATOM 1454 OD2 ASP A 93 18.649 1.940 -2.144 1.00 0.00 O ATOM 0 H ASP A 93 16.016 0.313 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 93 18.148 1.752 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.317 2.002 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.501 3.539 -0.410 1.00 0.00 H new ATOM 1459 N GLU A 94 15.112 2.209 2.081 1.00 0.00 N ATOM 1460 CA GLU A 94 14.270 2.880 3.056 1.00 0.00 C ATOM 1461 C GLU A 94 14.605 2.397 4.469 1.00 0.00 C ATOM 1462 O GLU A 94 14.693 3.198 5.398 1.00 0.00 O ATOM 1463 CB GLU A 94 12.788 2.666 2.741 1.00 0.00 C ATOM 1464 CG GLU A 94 11.933 2.805 4.002 1.00 0.00 C ATOM 1465 CD GLU A 94 12.319 4.057 4.791 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.640 5.068 4.130 1.00 0.00 O ATOM 1467 OE2 GLU A 94 12.285 3.976 6.038 1.00 0.00 O ATOM 0 H GLU A 94 14.689 1.391 1.643 1.00 0.00 H new ATOM 0 HA GLU A 94 14.468 3.950 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.463 3.391 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.644 1.676 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.879 2.854 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.058 1.923 4.629 1.00 0.00 H new