USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 764 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 105 GLN : amide:sc= 0.00387 K(o=0.78,f=-1.2) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -167:sc= 0.772 (180deg=0.461) USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0.7 USER MOD Set 2.2: A 102 GLN : amide:sc= -1.33! C(o=-0.63!,f=-3.5!) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -25:sc= 0.321 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 41 THR OG1 : rot 16:sc= 0.475 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -133:sc= -0.432 (180deg=-3.63!) USER MOD Single : A 58 GLN : amide:sc= -0.955 K(o=-0.95,f=0) USER MOD Single : A 62 MET CE :methyl -170:sc= -0.442 (180deg=-0.655) USER MOD Single : A 64 TYR OH : rot -1:sc= 0.00123 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 0.97 (180deg=0.164) USER MOD Single : A 68 SER OG : rot 104:sc= 0.0821 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= -0.146 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.78) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.14) USER MOD Single : A 88 SER OG : rot 64:sc= 1.53 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.07) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 109 MET CE :methyl -158:sc= -2.04 (180deg=-4.35!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0567 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 6.412 14.407 -13.730 1.00 0.00 N ATOM 205 CA THR A 14 6.790 13.768 -12.475 1.00 0.00 C ATOM 206 C THR A 14 5.689 12.847 -11.928 1.00 0.00 C ATOM 207 O THR A 14 4.548 13.264 -11.705 1.00 0.00 O ATOM 208 CB THR A 14 7.178 14.821 -11.407 1.00 0.00 C ATOM 209 OG1 THR A 14 7.604 14.181 -10.197 1.00 0.00 O ATOM 210 CG2 THR A 14 6.023 15.767 -11.102 1.00 0.00 C ATOM 0 HA THR A 14 7.658 13.148 -12.696 1.00 0.00 H new ATOM 0 HB THR A 14 8.001 15.406 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.847 14.862 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.335 16.491 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.733 16.293 -12.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.174 15.196 -10.727 1.00 0.00 H new ATOM 218 N PRO A 15 6.021 11.558 -11.739 1.00 0.00 N ATOM 219 CA PRO A 15 5.141 10.598 -11.087 1.00 0.00 C ATOM 220 C PRO A 15 5.191 10.759 -9.570 1.00 0.00 C ATOM 221 O PRO A 15 6.105 10.261 -8.912 1.00 0.00 O ATOM 222 CB PRO A 15 5.705 9.229 -11.499 1.00 0.00 C ATOM 223 CG PRO A 15 6.849 9.512 -12.426 1.00 0.00 C ATOM 224 CD PRO A 15 7.272 10.928 -12.158 1.00 0.00 C ATOM 0 HA PRO A 15 4.098 10.729 -11.376 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.040 8.667 -10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.943 8.626 -11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.673 8.821 -12.249 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.546 9.387 -13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.034 10.984 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.688 11.403 -13.047 1.00 0.00 H new ATOM 232 N PHE A 16 4.215 11.476 -9.029 1.00 0.00 N ATOM 233 CA PHE A 16 4.199 11.826 -7.609 1.00 0.00 C ATOM 234 C PHE A 16 4.106 10.594 -6.707 1.00 0.00 C ATOM 235 O PHE A 16 4.549 10.624 -5.561 1.00 0.00 O ATOM 236 CB PHE A 16 3.038 12.785 -7.314 1.00 0.00 C ATOM 237 CG PHE A 16 1.674 12.234 -7.646 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.165 12.327 -8.933 1.00 0.00 C ATOM 239 CD2 PHE A 16 0.902 11.623 -6.670 1.00 0.00 C ATOM 240 CE1 PHE A 16 -0.084 11.822 -9.238 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.348 11.117 -6.970 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.840 11.215 -8.255 1.00 0.00 C ATOM 0 H PHE A 16 3.416 11.831 -9.555 1.00 0.00 H new ATOM 0 HA PHE A 16 5.146 12.319 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.062 13.050 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.191 13.706 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.752 12.800 -9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.283 11.542 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.469 11.902 -10.244 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.939 10.645 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.816 10.817 -8.492 1.00 0.00 H new ATOM 252 N TYR A 17 3.543 9.510 -7.227 1.00 0.00 N ATOM 253 CA TYR A 17 3.305 8.314 -6.430 1.00 0.00 C ATOM 254 C TYR A 17 4.552 7.441 -6.338 1.00 0.00 C ATOM 255 O TYR A 17 4.663 6.596 -5.449 1.00 0.00 O ATOM 256 CB TYR A 17 2.142 7.510 -7.024 1.00 0.00 C ATOM 257 CG TYR A 17 2.418 6.923 -8.397 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.339 7.706 -9.543 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.745 5.580 -8.542 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.582 7.168 -10.794 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.991 5.036 -9.788 1.00 0.00 C ATOM 262 CZ TYR A 17 2.907 5.833 -10.912 1.00 0.00 C ATOM 263 OH TYR A 17 3.150 5.298 -12.156 1.00 0.00 O ATOM 0 H TYR A 17 3.242 9.435 -8.199 1.00 0.00 H new ATOM 0 HA TYR A 17 3.048 8.633 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.891 6.699 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.266 8.156 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.084 8.752 -9.455 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.808 4.951 -7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.518 7.791 -11.674 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.248 3.991 -9.882 1.00 0.00 H new ATOM 0 HH TYR A 17 3.367 4.346 -12.066 1.00 0.00 H new ATOM 273 N TYR A 18 5.496 7.656 -7.245 1.00 0.00 N ATOM 274 CA TYR A 18 6.677 6.811 -7.328 1.00 0.00 C ATOM 275 C TYR A 18 7.636 7.111 -6.182 1.00 0.00 C ATOM 276 O TYR A 18 7.866 8.272 -5.843 1.00 0.00 O ATOM 277 CB TYR A 18 7.379 7.009 -8.674 1.00 0.00 C ATOM 278 CG TYR A 18 8.549 6.075 -8.900 1.00 0.00 C ATOM 279 CD1 TYR A 18 8.346 4.775 -9.352 1.00 0.00 C ATOM 280 CD2 TYR A 18 9.854 6.490 -8.665 1.00 0.00 C ATOM 281 CE1 TYR A 18 9.411 3.918 -9.562 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.923 5.639 -8.872 1.00 0.00 C ATOM 283 CZ TYR A 18 10.694 4.354 -9.320 1.00 0.00 C ATOM 284 OH TYR A 18 11.758 3.501 -9.526 1.00 0.00 O ATOM 0 H TYR A 18 5.466 8.409 -7.933 1.00 0.00 H new ATOM 0 HA TYR A 18 6.361 5.771 -7.247 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.654 6.867 -9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.731 8.039 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.341 4.429 -9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.036 7.495 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.237 2.912 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.931 5.977 -8.684 1.00 0.00 H new ATOM 0 HH TYR A 18 12.595 3.963 -9.310 1.00 0.00 H new ATOM 294 N GLY A 19 8.176 6.060 -5.583 1.00 0.00 N ATOM 295 CA GLY A 19 9.122 6.226 -4.501 1.00 0.00 C ATOM 296 C GLY A 19 8.767 5.384 -3.297 1.00 0.00 C ATOM 297 O GLY A 19 8.052 4.384 -3.416 1.00 0.00 O ATOM 0 H GLY A 19 7.974 5.091 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.120 5.957 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.158 7.276 -4.210 1.00 0.00 H new ATOM 301 N THR A 20 9.274 5.780 -2.139 1.00 0.00 N ATOM 302 CA THR A 20 8.990 5.087 -0.894 1.00 0.00 C ATOM 303 C THR A 20 8.264 6.010 0.081 1.00 0.00 C ATOM 304 O THR A 20 8.703 7.136 0.325 1.00 0.00 O ATOM 305 CB THR A 20 10.288 4.577 -0.242 1.00 0.00 C ATOM 306 OG1 THR A 20 11.050 3.841 -1.207 1.00 0.00 O ATOM 307 CG2 THR A 20 9.978 3.690 0.959 1.00 0.00 C ATOM 0 H THR A 20 9.890 6.586 -2.037 1.00 0.00 H new ATOM 0 HA THR A 20 8.351 4.235 -1.127 1.00 0.00 H new ATOM 0 HB THR A 20 10.865 5.434 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.877 3.518 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.910 3.341 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.415 4.261 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.387 2.833 0.636 1.00 0.00 H new ATOM 315 N TRP A 21 7.151 5.539 0.623 1.00 0.00 N ATOM 316 CA TRP A 21 6.375 6.316 1.575 1.00 0.00 C ATOM 317 C TRP A 21 6.412 5.655 2.947 1.00 0.00 C ATOM 318 O TRP A 21 6.392 4.429 3.054 1.00 0.00 O ATOM 319 CB TRP A 21 4.938 6.473 1.076 1.00 0.00 C ATOM 320 CG TRP A 21 4.862 7.152 -0.258 1.00 0.00 C ATOM 321 CD1 TRP A 21 4.912 6.557 -1.487 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.737 8.558 -0.500 1.00 0.00 C ATOM 323 NE1 TRP A 21 4.827 7.507 -2.476 1.00 0.00 N ATOM 324 CE2 TRP A 21 4.719 8.743 -1.895 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.638 9.677 0.330 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.606 10.001 -2.477 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.526 10.927 -0.250 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.512 11.079 -1.642 1.00 0.00 C ATOM 0 H TRP A 21 6.764 4.618 0.418 1.00 0.00 H new ATOM 0 HA TRP A 21 6.813 7.310 1.668 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.472 5.490 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.365 7.046 1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.005 5.494 -1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 21 4.842 7.322 -3.479 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.649 9.568 1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.593 10.122 -3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.448 11.800 0.381 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.425 12.069 -2.065 1.00 0.00 H new ATOM 339 N ASP A 22 6.495 6.471 3.983 1.00 0.00 N ATOM 340 CA ASP A 22 6.658 5.976 5.347 1.00 0.00 C ATOM 341 C ASP A 22 5.390 6.173 6.177 1.00 0.00 C ATOM 342 O ASP A 22 4.775 7.241 6.148 1.00 0.00 O ATOM 343 CB ASP A 22 7.834 6.703 6.001 1.00 0.00 C ATOM 344 CG ASP A 22 8.114 6.251 7.420 1.00 0.00 C ATOM 345 OD1 ASP A 22 8.865 5.272 7.607 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.597 6.882 8.361 1.00 0.00 O ATOM 0 H ASP A 22 6.452 7.487 3.909 1.00 0.00 H new ATOM 0 HA ASP A 22 6.854 4.905 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.728 6.548 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.632 7.774 6.003 1.00 0.00 H new ATOM 351 N GLU A 23 5.009 5.134 6.919 1.00 0.00 N ATOM 352 CA GLU A 23 3.831 5.185 7.781 1.00 0.00 C ATOM 353 C GLU A 23 4.202 5.529 9.218 1.00 0.00 C ATOM 354 O GLU A 23 3.667 4.949 10.163 1.00 0.00 O ATOM 355 CB GLU A 23 3.070 3.856 7.759 1.00 0.00 C ATOM 356 CG GLU A 23 2.339 3.598 6.456 1.00 0.00 C ATOM 357 CD GLU A 23 1.325 2.477 6.566 1.00 0.00 C ATOM 358 OE1 GLU A 23 0.496 2.508 7.502 1.00 0.00 O ATOM 359 OE2 GLU A 23 1.330 1.572 5.712 1.00 0.00 O ATOM 0 H GLU A 23 5.503 4.242 6.939 1.00 0.00 H new ATOM 0 HA GLU A 23 3.188 5.972 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.772 3.042 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.351 3.845 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.833 4.511 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.064 3.352 5.680 1.00 0.00 H new ATOM 366 N GLY A 24 5.127 6.462 9.386 1.00 0.00 N ATOM 367 CA GLY A 24 5.421 6.970 10.710 1.00 0.00 C ATOM 368 C GLY A 24 4.309 7.866 11.204 1.00 0.00 C ATOM 369 O GLY A 24 4.182 8.125 12.402 1.00 0.00 O ATOM 0 H GLY A 24 5.677 6.875 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.557 6.138 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.359 7.525 10.691 1.00 0.00 H new ATOM 373 N ARG A 25 3.496 8.325 10.268 1.00 0.00 N ATOM 374 CA ARG A 25 2.365 9.161 10.569 1.00 0.00 C ATOM 375 C ARG A 25 1.143 8.288 10.776 1.00 0.00 C ATOM 376 O ARG A 25 0.971 7.281 10.080 1.00 0.00 O ATOM 377 CB ARG A 25 2.137 10.139 9.415 1.00 0.00 C ATOM 378 CG ARG A 25 0.931 11.042 9.586 1.00 0.00 C ATOM 379 CD ARG A 25 0.783 11.982 8.401 1.00 0.00 C ATOM 380 NE ARG A 25 1.951 12.845 8.228 1.00 0.00 N ATOM 381 CZ ARG A 25 2.021 13.840 7.348 1.00 0.00 C ATOM 382 NH1 ARG A 25 1.015 14.077 6.511 1.00 0.00 N ATOM 383 NH2 ARG A 25 3.115 14.587 7.298 1.00 0.00 N ATOM 0 H ARG A 25 3.610 8.122 9.275 1.00 0.00 H new ATOM 0 HA ARG A 25 2.551 9.731 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.026 10.759 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.022 9.571 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.030 10.437 9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.033 11.621 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.628 11.398 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.105 12.599 8.538 1.00 0.00 H new ATOM 0 HE ARG A 25 2.764 12.673 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.179 13.493 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.079 14.843 5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.892 14.396 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.180 15.353 6.627 1.00 0.00 H new ATOM 397 N ALA A 26 0.315 8.696 11.726 1.00 0.00 N ATOM 398 CA ALA A 26 -0.904 7.975 12.101 1.00 0.00 C ATOM 399 C ALA A 26 -0.578 6.644 12.785 1.00 0.00 C ATOM 400 O ALA A 26 0.510 6.091 12.607 1.00 0.00 O ATOM 401 CB ALA A 26 -1.806 7.759 10.889 1.00 0.00 C ATOM 0 H ALA A 26 0.468 9.547 12.268 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.444 8.592 12.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.704 7.222 11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.087 8.724 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.273 7.176 10.138 1.00 0.00 H new ATOM 407 N PRO A 27 -1.505 6.125 13.612 1.00 0.00 N ATOM 408 CA PRO A 27 -1.326 4.830 14.280 1.00 0.00 C ATOM 409 C PRO A 27 -1.242 3.681 13.279 1.00 0.00 C ATOM 410 O PRO A 27 -2.040 3.603 12.341 1.00 0.00 O ATOM 411 CB PRO A 27 -2.583 4.687 15.147 1.00 0.00 C ATOM 412 CG PRO A 27 -3.138 6.065 15.259 1.00 0.00 C ATOM 413 CD PRO A 27 -2.785 6.752 13.973 1.00 0.00 C ATOM 0 HA PRO A 27 -0.398 4.792 14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.303 4.009 14.689 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.340 4.279 16.128 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.218 6.041 15.406 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.711 6.590 16.113 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.544 6.593 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.685 7.830 14.104 1.00 0.00 H new ATOM 421 N GLY A 28 -0.286 2.787 13.488 1.00 0.00 N ATOM 422 CA GLY A 28 -0.086 1.684 12.574 1.00 0.00 C ATOM 423 C GLY A 28 -0.599 0.369 13.132 1.00 0.00 C ATOM 424 O GLY A 28 -1.506 0.355 13.968 1.00 0.00 O ATOM 0 H GLY A 28 0.357 2.808 14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.593 1.899 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.976 1.590 12.349 1.00 0.00 H new ATOM 428 N PRO A 29 -0.041 -0.758 12.666 1.00 0.00 N ATOM 429 CA PRO A 29 -0.418 -2.099 13.136 1.00 0.00 C ATOM 430 C PRO A 29 -0.136 -2.313 14.625 1.00 0.00 C ATOM 431 O PRO A 29 0.495 -1.481 15.281 1.00 0.00 O ATOM 432 CB PRO A 29 0.447 -3.037 12.285 1.00 0.00 C ATOM 433 CG PRO A 29 1.555 -2.190 11.761 1.00 0.00 C ATOM 434 CD PRO A 29 0.993 -0.808 11.625 1.00 0.00 C ATOM 0 HA PRO A 29 -1.489 -2.270 13.031 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.833 -3.864 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.132 -3.474 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.407 -2.199 12.441 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.910 -2.563 10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.757 -0.046 11.780 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.573 -0.641 10.633 1.00 0.00 H new ATOM 442 N THR A 30 -0.611 -3.439 15.151 1.00 0.00 N ATOM 443 CA THR A 30 -0.473 -3.745 16.573 1.00 0.00 C ATOM 444 C THR A 30 0.101 -5.147 16.791 1.00 0.00 C ATOM 445 O THR A 30 0.397 -5.544 17.919 1.00 0.00 O ATOM 446 CB THR A 30 -1.837 -3.635 17.278 1.00 0.00 C ATOM 447 OG1 THR A 30 -1.681 -3.719 18.700 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.787 -4.727 16.806 1.00 0.00 C ATOM 0 H THR A 30 -1.096 -4.157 14.613 1.00 0.00 H new ATOM 0 HA THR A 30 0.219 -3.019 16.999 1.00 0.00 H new ATOM 0 HB THR A 30 -2.262 -2.665 17.021 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.860 -4.211 18.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.743 -4.625 17.320 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.942 -4.635 15.731 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.358 -5.704 17.028 1.00 0.00 H new ATOM 456 N ASP A 31 0.243 -5.883 15.698 1.00 0.00 N ATOM 457 CA ASP A 31 0.794 -7.242 15.720 1.00 0.00 C ATOM 458 C ASP A 31 2.167 -7.283 16.385 1.00 0.00 C ATOM 459 O ASP A 31 2.479 -8.179 17.171 1.00 0.00 O ATOM 460 CB ASP A 31 0.902 -7.766 14.283 1.00 0.00 C ATOM 461 CG ASP A 31 1.776 -9.000 14.169 1.00 0.00 C ATOM 462 OD1 ASP A 31 2.992 -8.854 13.956 1.00 0.00 O ATOM 463 OD2 ASP A 31 1.242 -10.123 14.282 1.00 0.00 O ATOM 0 H ASP A 31 -0.019 -5.560 14.767 1.00 0.00 H new ATOM 0 HA ASP A 31 0.123 -7.872 16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.096 -7.998 13.910 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.306 -6.980 13.645 1.00 0.00 H new ATOM 468 N GLY A 32 2.961 -6.288 16.071 1.00 0.00 N ATOM 469 CA GLY A 32 4.333 -6.222 16.518 1.00 0.00 C ATOM 470 C GLY A 32 5.053 -5.198 15.694 1.00 0.00 C ATOM 471 O GLY A 32 5.905 -4.458 16.181 1.00 0.00 O ATOM 0 H GLY A 32 2.673 -5.497 15.495 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.375 -5.956 17.574 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.812 -7.196 16.415 1.00 0.00 H new ATOM 475 N VAL A 33 4.684 -5.168 14.424 1.00 0.00 N ATOM 476 CA VAL A 33 5.008 -4.058 13.557 1.00 0.00 C ATOM 477 C VAL A 33 4.232 -2.850 14.050 1.00 0.00 C ATOM 478 O VAL A 33 3.051 -2.964 14.368 1.00 0.00 O ATOM 479 CB VAL A 33 4.586 -4.342 12.101 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.127 -3.289 11.153 1.00 0.00 C ATOM 481 CG2 VAL A 33 5.010 -5.739 11.670 1.00 0.00 C ATOM 0 H VAL A 33 4.153 -5.912 13.971 1.00 0.00 H new ATOM 0 HA VAL A 33 6.085 -3.891 13.578 1.00 0.00 H new ATOM 0 HB VAL A 33 3.498 -4.295 12.058 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.811 -3.519 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.743 -2.310 11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.216 -3.280 11.202 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.700 -5.912 10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.094 -5.829 11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.541 -6.478 12.319 1.00 0.00 H new ATOM 491 N LYS A 34 4.885 -1.713 14.148 1.00 0.00 N ATOM 492 CA LYS A 34 4.213 -0.511 14.578 1.00 0.00 C ATOM 493 C LYS A 34 4.101 0.481 13.436 1.00 0.00 C ATOM 494 O LYS A 34 3.315 1.424 13.492 1.00 0.00 O ATOM 495 CB LYS A 34 4.957 0.105 15.753 1.00 0.00 C ATOM 496 CG LYS A 34 4.898 -0.749 17.006 1.00 0.00 C ATOM 497 CD LYS A 34 5.409 -0.005 18.226 1.00 0.00 C ATOM 498 CE LYS A 34 5.309 -0.871 19.466 1.00 0.00 C ATOM 499 NZ LYS A 34 5.768 -0.155 20.677 1.00 0.00 N ATOM 0 H LYS A 34 5.876 -1.597 13.936 1.00 0.00 H new ATOM 0 HA LYS A 34 3.203 -0.770 14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.999 0.260 15.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.535 1.087 15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.870 -1.067 17.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.490 -1.652 16.858 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.445 0.293 18.068 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.832 0.909 18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.276 -1.191 19.603 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.906 -1.772 19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.684 -0.781 21.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.761 0.128 20.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.182 0.691 20.823 1.00 0.00 H new ATOM 513 N SER A 35 4.873 0.246 12.388 1.00 0.00 N ATOM 514 CA SER A 35 4.915 1.150 11.250 1.00 0.00 C ATOM 515 C SER A 35 5.402 0.408 10.015 1.00 0.00 C ATOM 516 O SER A 35 6.069 -0.620 10.122 1.00 0.00 O ATOM 517 CB SER A 35 5.835 2.339 11.531 1.00 0.00 C ATOM 518 OG SER A 35 5.499 2.981 12.752 1.00 0.00 O ATOM 0 H SER A 35 5.482 -0.568 12.302 1.00 0.00 H new ATOM 0 HA SER A 35 3.907 1.525 11.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.870 1.998 11.571 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.767 3.055 10.712 1.00 0.00 H new ATOM 0 HG SER A 35 6.106 3.735 12.903 1.00 0.00 H new ATOM 524 N ALA A 36 5.083 0.936 8.852 1.00 0.00 N ATOM 525 CA ALA A 36 5.427 0.280 7.607 1.00 0.00 C ATOM 526 C ALA A 36 5.975 1.277 6.602 1.00 0.00 C ATOM 527 O ALA A 36 5.850 2.491 6.774 1.00 0.00 O ATOM 528 CB ALA A 36 4.211 -0.438 7.037 1.00 0.00 C ATOM 0 H ALA A 36 4.585 1.819 8.742 1.00 0.00 H new ATOM 0 HA ALA A 36 6.205 -0.456 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.483 -0.927 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.863 -1.186 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.416 0.284 6.851 1.00 0.00 H new ATOM 534 N THR A 37 6.602 0.755 5.570 1.00 0.00 N ATOM 535 CA THR A 37 7.095 1.562 4.475 1.00 0.00 C ATOM 536 C THR A 37 6.647 0.943 3.160 1.00 0.00 C ATOM 537 O THR A 37 6.795 -0.262 2.951 1.00 0.00 O ATOM 538 CB THR A 37 8.631 1.672 4.502 1.00 0.00 C ATOM 539 OG1 THR A 37 9.210 0.373 4.671 1.00 0.00 O ATOM 540 CG2 THR A 37 9.100 2.594 5.622 1.00 0.00 C ATOM 0 H THR A 37 6.785 -0.243 5.466 1.00 0.00 H new ATOM 0 HA THR A 37 6.687 2.568 4.577 1.00 0.00 H new ATOM 0 HB THR A 37 8.956 2.097 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.187 0.450 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.188 2.651 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.684 3.590 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.764 2.201 6.582 1.00 0.00 H new ATOM 548 N VAL A 38 6.092 1.750 2.280 1.00 0.00 N ATOM 549 CA VAL A 38 5.575 1.234 1.025 1.00 0.00 C ATOM 550 C VAL A 38 6.416 1.727 -0.148 1.00 0.00 C ATOM 551 O VAL A 38 6.715 2.917 -0.265 1.00 0.00 O ATOM 552 CB VAL A 38 4.084 1.601 0.815 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.873 3.108 0.831 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.559 0.999 -0.481 1.00 0.00 C ATOM 0 H VAL A 38 5.987 2.757 2.406 1.00 0.00 H new ATOM 0 HA VAL A 38 5.640 0.147 1.073 1.00 0.00 H new ATOM 0 HB VAL A 38 3.520 1.179 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.816 3.329 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.195 3.510 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.456 3.566 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.511 1.269 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.138 1.383 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.652 -0.086 -0.442 1.00 0.00 H new ATOM 564 N THR A 39 6.828 0.794 -0.989 1.00 0.00 N ATOM 565 CA THR A 39 7.621 1.112 -2.156 1.00 0.00 C ATOM 566 C THR A 39 6.835 0.801 -3.424 1.00 0.00 C ATOM 567 O THR A 39 6.341 -0.317 -3.600 1.00 0.00 O ATOM 568 CB THR A 39 8.942 0.317 -2.156 1.00 0.00 C ATOM 569 OG1 THR A 39 9.609 0.493 -0.897 1.00 0.00 O ATOM 570 CG2 THR A 39 9.860 0.772 -3.282 1.00 0.00 C ATOM 0 H THR A 39 6.622 -0.199 -0.880 1.00 0.00 H new ATOM 0 HA THR A 39 7.856 2.176 -2.127 1.00 0.00 H new ATOM 0 HB THR A 39 8.705 -0.736 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.448 -0.014 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.783 0.193 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.363 0.620 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.092 1.830 -3.158 1.00 0.00 H new ATOM 578 N PHE A 40 6.707 1.787 -4.297 1.00 0.00 N ATOM 579 CA PHE A 40 6.005 1.590 -5.552 1.00 0.00 C ATOM 580 C PHE A 40 7.007 1.404 -6.678 1.00 0.00 C ATOM 581 O PHE A 40 7.804 2.298 -6.970 1.00 0.00 O ATOM 582 CB PHE A 40 5.088 2.779 -5.856 1.00 0.00 C ATOM 583 CG PHE A 40 3.952 2.938 -4.886 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.756 2.268 -5.087 1.00 0.00 C ATOM 585 CD2 PHE A 40 4.078 3.761 -3.778 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.705 2.415 -4.200 1.00 0.00 C ATOM 587 CE2 PHE A 40 3.032 3.912 -2.888 1.00 0.00 C ATOM 588 CZ PHE A 40 1.842 3.239 -3.100 1.00 0.00 C ATOM 0 H PHE A 40 7.078 2.727 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 40 5.388 0.696 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.683 3.693 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.681 2.663 -6.861 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.643 1.624 -5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.004 4.290 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.778 1.886 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.143 4.555 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.022 3.358 -2.407 1.00 0.00 H new ATOM 598 N THR A 41 6.970 0.232 -7.289 1.00 0.00 N ATOM 599 CA THR A 41 7.843 -0.085 -8.399 1.00 0.00 C ATOM 600 C THR A 41 7.091 0.029 -9.722 1.00 0.00 C ATOM 601 O THR A 41 5.920 0.412 -9.742 1.00 0.00 O ATOM 602 CB THR A 41 8.477 -1.483 -8.246 1.00 0.00 C ATOM 603 OG1 THR A 41 7.504 -2.428 -7.796 1.00 0.00 O ATOM 604 CG2 THR A 41 9.640 -1.444 -7.265 1.00 0.00 C ATOM 0 H THR A 41 6.335 -0.522 -7.028 1.00 0.00 H new ATOM 0 HA THR A 41 8.656 0.642 -8.398 1.00 0.00 H new ATOM 0 HB THR A 41 8.849 -1.790 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.606 -2.056 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.072 -2.441 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.399 -0.752 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.283 -1.112 -6.290 1.00 0.00 H new ATOM 612 N GLU A 42 7.781 -0.280 -10.817 1.00 0.00 N ATOM 613 CA GLU A 42 7.254 -0.082 -12.165 1.00 0.00 C ATOM 614 C GLU A 42 5.843 -0.660 -12.329 1.00 0.00 C ATOM 615 O GLU A 42 4.929 0.050 -12.751 1.00 0.00 O ATOM 616 CB GLU A 42 8.229 -0.707 -13.178 1.00 0.00 C ATOM 617 CG GLU A 42 7.915 -0.412 -14.640 1.00 0.00 C ATOM 618 CD GLU A 42 6.899 -1.365 -15.235 1.00 0.00 C ATOM 619 OE1 GLU A 42 7.171 -2.583 -15.265 1.00 0.00 O ATOM 620 OE2 GLU A 42 5.836 -0.895 -15.689 1.00 0.00 O ATOM 0 H GLU A 42 8.721 -0.675 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 42 7.167 0.989 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.235 -0.350 -12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.236 -1.787 -13.034 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.541 0.608 -14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.836 -0.464 -15.221 1.00 0.00 H new ATOM 627 N ASP A 43 5.657 -1.927 -11.980 1.00 0.00 N ATOM 628 CA ASP A 43 4.372 -2.583 -12.204 1.00 0.00 C ATOM 629 C ASP A 43 3.943 -3.380 -10.973 1.00 0.00 C ATOM 630 O ASP A 43 2.968 -4.132 -11.007 1.00 0.00 O ATOM 631 CB ASP A 43 4.481 -3.503 -13.427 1.00 0.00 C ATOM 632 CG ASP A 43 3.144 -4.027 -13.922 1.00 0.00 C ATOM 633 OD1 ASP A 43 2.347 -3.234 -14.466 1.00 0.00 O ATOM 634 OD2 ASP A 43 2.895 -5.246 -13.805 1.00 0.00 O ATOM 0 H ASP A 43 6.368 -2.516 -11.546 1.00 0.00 H new ATOM 0 HA ASP A 43 3.613 -1.822 -12.387 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.970 -2.960 -14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.122 -4.349 -13.178 1.00 0.00 H new ATOM 639 N GLU A 44 4.664 -3.208 -9.870 1.00 0.00 N ATOM 640 CA GLU A 44 4.363 -3.951 -8.656 1.00 0.00 C ATOM 641 C GLU A 44 4.313 -3.030 -7.439 1.00 0.00 C ATOM 642 O GLU A 44 4.773 -1.890 -7.484 1.00 0.00 O ATOM 643 CB GLU A 44 5.403 -5.052 -8.399 1.00 0.00 C ATOM 644 CG GLU A 44 6.185 -5.503 -9.624 1.00 0.00 C ATOM 645 CD GLU A 44 7.395 -4.629 -9.896 1.00 0.00 C ATOM 646 OE1 GLU A 44 8.409 -4.780 -9.183 1.00 0.00 O ATOM 647 OE2 GLU A 44 7.340 -3.780 -10.815 1.00 0.00 O ATOM 0 H GLU A 44 5.453 -2.566 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 44 3.385 -4.408 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.108 -4.695 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.895 -5.917 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.510 -6.534 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.529 -5.491 -10.494 1.00 0.00 H new ATOM 654 N VAL A 45 3.731 -3.536 -6.365 1.00 0.00 N ATOM 655 CA VAL A 45 3.742 -2.850 -5.085 1.00 0.00 C ATOM 656 C VAL A 45 4.517 -3.683 -4.075 1.00 0.00 C ATOM 657 O VAL A 45 4.190 -4.850 -3.842 1.00 0.00 O ATOM 658 CB VAL A 45 2.314 -2.609 -4.546 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.356 -1.913 -3.193 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.496 -1.791 -5.530 1.00 0.00 C ATOM 0 H VAL A 45 3.240 -4.430 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 45 4.216 -1.880 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 45 1.836 -3.581 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.339 -1.754 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.899 -2.534 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.860 -0.952 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.495 -1.634 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.978 -0.826 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.428 -2.324 -6.478 1.00 0.00 H new ATOM 670 N VAL A 46 5.555 -3.099 -3.498 1.00 0.00 N ATOM 671 CA VAL A 46 6.332 -3.790 -2.483 1.00 0.00 C ATOM 672 C VAL A 46 6.077 -3.161 -1.125 1.00 0.00 C ATOM 673 O VAL A 46 6.282 -1.960 -0.932 1.00 0.00 O ATOM 674 CB VAL A 46 7.844 -3.750 -2.791 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.636 -4.527 -1.742 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.120 -4.295 -4.186 1.00 0.00 C ATOM 0 H VAL A 46 5.877 -2.155 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 46 6.017 -4.833 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 46 8.170 -2.710 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.698 -4.483 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.468 -4.087 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.308 -5.566 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.191 -4.259 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.774 -5.327 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.593 -3.690 -4.924 1.00 0.00 H new ATOM 686 N GLU A 47 5.626 -3.971 -0.188 1.00 0.00 N ATOM 687 CA GLU A 47 5.369 -3.502 1.158 1.00 0.00 C ATOM 688 C GLU A 47 6.432 -3.998 2.112 1.00 0.00 C ATOM 689 O GLU A 47 6.861 -5.151 2.051 1.00 0.00 O ATOM 690 CB GLU A 47 3.987 -3.939 1.627 1.00 0.00 C ATOM 691 CG GLU A 47 2.885 -2.979 1.212 1.00 0.00 C ATOM 692 CD GLU A 47 1.506 -3.605 1.250 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.043 -3.968 2.351 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.878 -3.735 0.177 1.00 0.00 O ATOM 0 H GLU A 47 5.429 -4.961 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 47 5.400 -2.412 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.769 -4.928 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.991 -4.031 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.901 -2.110 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.086 -2.619 0.203 1.00 0.00 H new ATOM 701 N THR A 48 6.868 -3.107 2.970 1.00 0.00 N ATOM 702 CA THR A 48 7.864 -3.432 3.972 1.00 0.00 C ATOM 703 C THR A 48 7.351 -3.061 5.352 1.00 0.00 C ATOM 704 O THR A 48 6.862 -1.953 5.569 1.00 0.00 O ATOM 705 CB THR A 48 9.189 -2.694 3.717 1.00 0.00 C ATOM 706 OG1 THR A 48 9.368 -2.490 2.313 1.00 0.00 O ATOM 707 CG2 THR A 48 10.369 -3.484 4.263 1.00 0.00 C ATOM 0 H THR A 48 6.546 -2.139 2.996 1.00 0.00 H new ATOM 0 HA THR A 48 8.049 -4.505 3.913 1.00 0.00 H new ATOM 0 HB THR A 48 9.145 -1.733 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.212 -2.018 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.293 -2.939 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.248 -3.622 5.337 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.413 -4.457 3.774 1.00 0.00 H new ATOM 715 N GLU A 49 7.459 -3.988 6.274 1.00 0.00 N ATOM 716 CA GLU A 49 6.977 -3.778 7.626 1.00 0.00 C ATOM 717 C GLU A 49 8.146 -3.670 8.590 1.00 0.00 C ATOM 718 O GLU A 49 9.103 -4.438 8.497 1.00 0.00 O ATOM 719 CB GLU A 49 6.065 -4.928 8.040 1.00 0.00 C ATOM 720 CG GLU A 49 4.884 -5.136 7.105 1.00 0.00 C ATOM 721 CD GLU A 49 3.982 -6.264 7.555 1.00 0.00 C ATOM 722 OE1 GLU A 49 4.342 -7.440 7.339 1.00 0.00 O ATOM 723 OE2 GLU A 49 2.909 -5.979 8.126 1.00 0.00 O ATOM 0 H GLU A 49 7.879 -4.903 6.114 1.00 0.00 H new ATOM 0 HA GLU A 49 6.411 -2.847 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.650 -5.847 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.692 -4.740 9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.305 -4.214 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.252 -5.348 6.101 1.00 0.00 H new ATOM 730 N VAL A 50 8.081 -2.713 9.504 1.00 0.00 N ATOM 731 CA VAL A 50 9.134 -2.553 10.494 1.00 0.00 C ATOM 732 C VAL A 50 8.763 -3.299 11.768 1.00 0.00 C ATOM 733 O VAL A 50 7.838 -2.909 12.485 1.00 0.00 O ATOM 734 CB VAL A 50 9.387 -1.064 10.823 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.543 -0.917 11.805 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.657 -0.274 9.550 1.00 0.00 C ATOM 0 H VAL A 50 7.317 -2.041 9.580 1.00 0.00 H new ATOM 0 HA VAL A 50 10.051 -2.967 10.074 1.00 0.00 H new ATOM 0 HB VAL A 50 8.490 -0.660 11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.704 0.139 12.022 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.306 -1.446 12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.448 -1.339 11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.833 0.772 9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.536 -0.680 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.795 -0.348 8.886 1.00 0.00 H new ATOM 746 N MET A 51 9.498 -4.361 12.058 1.00 0.00 N ATOM 747 CA MET A 51 9.211 -5.180 13.223 1.00 0.00 C ATOM 748 C MET A 51 10.381 -5.120 14.187 1.00 0.00 C ATOM 749 O MET A 51 11.478 -5.587 13.874 1.00 0.00 O ATOM 750 CB MET A 51 8.956 -6.624 12.803 1.00 0.00 C ATOM 751 CG MET A 51 7.931 -7.360 13.657 1.00 0.00 C ATOM 752 SD MET A 51 8.467 -7.605 15.364 1.00 0.00 S ATOM 753 CE MET A 51 7.088 -8.546 16.013 1.00 0.00 C ATOM 0 H MET A 51 10.295 -4.675 11.504 1.00 0.00 H new ATOM 0 HA MET A 51 8.317 -4.797 13.716 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.620 -6.633 11.766 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.898 -7.171 12.837 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.996 -6.799 13.654 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.722 -8.330 13.206 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.779 -8.126 16.970 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.255 -8.502 15.311 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.390 -9.584 16.153 1.00 0.00 H new ATOM 763 N GLU A 52 10.136 -4.563 15.356 1.00 0.00 N ATOM 764 CA GLU A 52 11.197 -4.308 16.324 1.00 0.00 C ATOM 765 C GLU A 52 11.726 -5.618 16.898 1.00 0.00 C ATOM 766 O GLU A 52 11.009 -6.344 17.587 1.00 0.00 O ATOM 767 CB GLU A 52 10.695 -3.396 17.447 1.00 0.00 C ATOM 768 CG GLU A 52 11.781 -2.996 18.432 1.00 0.00 C ATOM 769 CD GLU A 52 11.289 -2.035 19.490 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.669 -2.492 20.471 1.00 0.00 O ATOM 771 OE2 GLU A 52 11.536 -0.819 19.359 1.00 0.00 O ATOM 0 H GLU A 52 9.208 -4.275 15.665 1.00 0.00 H new ATOM 0 HA GLU A 52 12.014 -3.802 15.809 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.264 -2.496 17.008 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.895 -3.903 17.986 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.174 -3.891 18.915 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.607 -2.538 17.888 1.00 0.00 H new ATOM 778 N GLY A 53 12.978 -5.918 16.591 1.00 0.00 N ATOM 779 CA GLY A 53 13.582 -7.163 17.023 1.00 0.00 C ATOM 780 C GLY A 53 13.963 -8.016 15.836 1.00 0.00 C ATOM 781 O GLY A 53 14.809 -8.910 15.933 1.00 0.00 O ATOM 0 H GLY A 53 13.593 -5.315 16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.466 -6.954 17.625 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.885 -7.708 17.660 1.00 0.00 H new ATOM 785 N ARG A 54 13.329 -7.729 14.711 1.00 0.00 N ATOM 786 CA ARG A 54 13.591 -8.427 13.467 1.00 0.00 C ATOM 787 C ARG A 54 14.261 -7.492 12.478 1.00 0.00 C ATOM 788 O ARG A 54 15.387 -7.717 12.032 1.00 0.00 O ATOM 789 CB ARG A 54 12.269 -8.902 12.882 1.00 0.00 C ATOM 790 CG ARG A 54 11.429 -9.672 13.871 1.00 0.00 C ATOM 791 CD ARG A 54 11.731 -11.157 13.812 1.00 0.00 C ATOM 792 NE ARG A 54 11.727 -11.769 15.134 1.00 0.00 N ATOM 793 CZ ARG A 54 11.873 -13.072 15.353 1.00 0.00 C ATOM 794 NH1 ARG A 54 11.974 -13.922 14.336 1.00 0.00 N ATOM 795 NH2 ARG A 54 11.906 -13.522 16.597 1.00 0.00 N ATOM 0 H ARG A 54 12.616 -7.003 14.636 1.00 0.00 H new ATOM 0 HA ARG A 54 14.247 -9.275 13.660 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.704 -8.040 12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.467 -9.531 12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.617 -9.300 14.878 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.372 -9.505 13.662 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.993 -11.652 13.181 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.704 -11.311 13.345 1.00 0.00 H new ATOM 0 HE ARG A 54 11.604 -11.159 15.942 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.940 -13.576 13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.086 -14.920 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.820 -12.871 17.377 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.018 -14.520 16.776 1.00 0.00 H new ATOM 809 N GLY A 55 13.539 -6.436 12.154 1.00 0.00 N ATOM 810 CA GLY A 55 13.991 -5.479 11.171 1.00 0.00 C ATOM 811 C GLY A 55 12.896 -5.197 10.174 1.00 0.00 C ATOM 812 O GLY A 55 11.717 -5.416 10.471 1.00 0.00 O ATOM 0 H GLY A 55 12.630 -6.221 12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.290 -4.554 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.871 -5.864 10.656 1.00 0.00 H new ATOM 816 N GLU A 56 13.261 -4.703 9.004 1.00 0.00 N ATOM 817 CA GLU A 56 12.308 -4.506 7.941 1.00 0.00 C ATOM 818 C GLU A 56 11.997 -5.823 7.253 1.00 0.00 C ATOM 819 O GLU A 56 12.894 -6.584 6.890 1.00 0.00 O ATOM 820 CB GLU A 56 12.839 -3.496 6.932 1.00 0.00 C ATOM 821 CG GLU A 56 12.992 -2.090 7.482 1.00 0.00 C ATOM 822 CD GLU A 56 14.150 -1.932 8.453 1.00 0.00 C ATOM 823 OE1 GLU A 56 15.306 -1.837 7.985 1.00 0.00 O ATOM 824 OE2 GLU A 56 13.913 -1.886 9.679 1.00 0.00 O ATOM 0 H GLU A 56 14.216 -4.432 8.771 1.00 0.00 H new ATOM 0 HA GLU A 56 11.387 -4.116 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.807 -3.839 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.167 -3.468 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.130 -1.398 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.068 -1.804 7.984 1.00 0.00 H new ATOM 831 N VAL A 57 10.718 -6.080 7.094 1.00 0.00 N ATOM 832 CA VAL A 57 10.244 -7.298 6.469 1.00 0.00 C ATOM 833 C VAL A 57 9.566 -6.974 5.141 1.00 0.00 C ATOM 834 O VAL A 57 8.607 -6.205 5.104 1.00 0.00 O ATOM 835 CB VAL A 57 9.241 -8.024 7.390 1.00 0.00 C ATOM 836 CG1 VAL A 57 8.653 -9.250 6.702 1.00 0.00 C ATOM 837 CG2 VAL A 57 9.904 -8.416 8.701 1.00 0.00 C ATOM 0 H VAL A 57 9.974 -5.450 7.395 1.00 0.00 H new ATOM 0 HA VAL A 57 11.101 -7.949 6.293 1.00 0.00 H new ATOM 0 HB VAL A 57 8.425 -7.334 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.950 -9.742 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.134 -8.944 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.455 -9.943 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.180 -8.927 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.743 -9.082 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.264 -7.521 9.208 1.00 0.00 H new ATOM 847 N GLN A 58 10.075 -7.543 4.057 1.00 0.00 N ATOM 848 CA GLN A 58 9.511 -7.328 2.744 1.00 0.00 C ATOM 849 C GLN A 58 8.466 -8.387 2.421 1.00 0.00 C ATOM 850 O GLN A 58 8.722 -9.582 2.558 1.00 0.00 O ATOM 851 CB GLN A 58 10.618 -7.372 1.702 1.00 0.00 C ATOM 852 CG GLN A 58 11.737 -6.381 1.959 1.00 0.00 C ATOM 853 CD GLN A 58 12.825 -6.431 0.903 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.467 -5.425 0.613 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.049 -7.601 0.327 1.00 0.00 N ATOM 0 H GLN A 58 10.886 -8.162 4.069 1.00 0.00 H new ATOM 0 HA GLN A 58 9.028 -6.351 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.036 -8.378 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.188 -7.175 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.322 -5.374 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.177 -6.582 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.495 -8.415 0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.775 -7.689 -0.384 1.00 0.00 H new ATOM 864 N LEU A 59 7.293 -7.948 2.007 1.00 0.00 N ATOM 865 CA LEU A 59 6.261 -8.859 1.546 1.00 0.00 C ATOM 866 C LEU A 59 6.457 -9.136 0.063 1.00 0.00 C ATOM 867 O LEU A 59 7.132 -8.368 -0.625 1.00 0.00 O ATOM 868 CB LEU A 59 4.872 -8.267 1.796 1.00 0.00 C ATOM 869 CG LEU A 59 4.496 -8.100 3.268 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.161 -7.390 3.403 1.00 0.00 C ATOM 871 CD2 LEU A 59 4.458 -9.449 3.968 1.00 0.00 C ATOM 0 H LEU A 59 7.030 -6.963 1.980 1.00 0.00 H new ATOM 0 HA LEU A 59 6.337 -9.794 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.816 -7.293 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.130 -8.906 1.317 1.00 0.00 H new ATOM 0 HG LEU A 59 5.259 -7.487 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.912 -7.281 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.225 -6.404 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.386 -7.974 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.188 -9.308 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.719 -10.088 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.440 -9.919 3.906 1.00 0.00 H new ATOM 883 N PRO A 60 5.887 -10.236 -0.448 1.00 0.00 N ATOM 884 CA PRO A 60 6.018 -10.594 -1.861 1.00 0.00 C ATOM 885 C PRO A 60 5.387 -9.533 -2.758 1.00 0.00 C ATOM 886 O PRO A 60 4.264 -9.092 -2.508 1.00 0.00 O ATOM 887 CB PRO A 60 5.271 -11.930 -1.977 1.00 0.00 C ATOM 888 CG PRO A 60 4.386 -11.997 -0.777 1.00 0.00 C ATOM 889 CD PRO A 60 5.063 -11.201 0.300 1.00 0.00 C ATOM 0 HA PRO A 60 7.058 -10.667 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.689 -11.975 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.967 -12.768 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.400 -11.588 -0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.239 -13.030 -0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.339 -10.698 0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.673 -11.835 0.944 1.00 0.00 H new ATOM 897 N PHE A 61 6.119 -9.116 -3.788 1.00 0.00 N ATOM 898 CA PHE A 61 5.665 -8.037 -4.658 1.00 0.00 C ATOM 899 C PHE A 61 4.311 -8.358 -5.271 1.00 0.00 C ATOM 900 O PHE A 61 4.100 -9.427 -5.845 1.00 0.00 O ATOM 901 CB PHE A 61 6.699 -7.728 -5.750 1.00 0.00 C ATOM 902 CG PHE A 61 7.066 -8.898 -6.622 1.00 0.00 C ATOM 903 CD1 PHE A 61 8.028 -9.808 -6.217 1.00 0.00 C ATOM 904 CD2 PHE A 61 6.454 -9.080 -7.854 1.00 0.00 C ATOM 905 CE1 PHE A 61 8.372 -10.879 -7.019 1.00 0.00 C ATOM 906 CE2 PHE A 61 6.794 -10.149 -8.660 1.00 0.00 C ATOM 907 CZ PHE A 61 7.754 -11.050 -8.242 1.00 0.00 C ATOM 0 H PHE A 61 7.026 -9.508 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 61 5.553 -7.145 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.311 -6.929 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.604 -7.348 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.516 -9.679 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.704 -8.378 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.123 -11.582 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.310 -10.280 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.021 -11.887 -8.871 1.00 0.00 H new ATOM 917 N MET A 62 3.387 -7.437 -5.111 1.00 0.00 N ATOM 918 CA MET A 62 2.041 -7.617 -5.619 1.00 0.00 C ATOM 919 C MET A 62 1.829 -6.791 -6.872 1.00 0.00 C ATOM 920 O MET A 62 2.140 -5.602 -6.904 1.00 0.00 O ATOM 921 CB MET A 62 1.017 -7.242 -4.547 1.00 0.00 C ATOM 922 CG MET A 62 0.894 -8.273 -3.433 1.00 0.00 C ATOM 923 SD MET A 62 -0.297 -7.791 -2.167 1.00 0.00 S ATOM 924 CE MET A 62 0.483 -6.312 -1.522 1.00 0.00 C ATOM 0 H MET A 62 3.542 -6.551 -4.631 1.00 0.00 H new ATOM 0 HA MET A 62 1.905 -8.667 -5.877 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.294 -6.281 -4.112 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.043 -7.110 -5.018 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.596 -9.230 -3.861 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.870 -8.420 -2.971 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.034 -5.993 -0.617 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.526 -6.523 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.432 -5.519 -2.268 1.00 0.00 H new ATOM 934 N ALA A 63 1.316 -7.427 -7.909 1.00 0.00 N ATOM 935 CA ALA A 63 1.080 -6.748 -9.167 1.00 0.00 C ATOM 936 C ALA A 63 -0.138 -5.846 -9.065 1.00 0.00 C ATOM 937 O ALA A 63 -1.184 -6.255 -8.559 1.00 0.00 O ATOM 938 CB ALA A 63 0.903 -7.756 -10.285 1.00 0.00 C ATOM 0 H ALA A 63 1.055 -8.413 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 63 1.947 -6.128 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.726 -7.231 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.804 -8.364 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.051 -8.399 -10.063 1.00 0.00 H new ATOM 944 N TYR A 64 0.008 -4.615 -9.520 1.00 0.00 N ATOM 945 CA TYR A 64 -1.095 -3.676 -9.530 1.00 0.00 C ATOM 946 C TYR A 64 -1.295 -3.153 -10.939 1.00 0.00 C ATOM 947 O TYR A 64 -0.333 -3.015 -11.700 1.00 0.00 O ATOM 948 CB TYR A 64 -0.842 -2.510 -8.560 1.00 0.00 C ATOM 949 CG TYR A 64 0.133 -1.460 -9.073 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.506 -1.633 -8.957 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.329 -0.289 -9.669 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.390 -0.677 -9.421 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.550 0.671 -10.136 1.00 0.00 C ATOM 954 CZ TYR A 64 1.909 0.471 -10.010 1.00 0.00 C ATOM 955 OH TYR A 64 2.791 1.421 -10.472 1.00 0.00 O ATOM 0 H TYR A 64 0.883 -4.243 -9.888 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.996 -4.192 -9.199 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.793 -2.026 -8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.462 -2.912 -7.621 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.890 -2.531 -8.496 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.392 -0.128 -9.768 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.455 -0.830 -9.322 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.174 1.573 -10.597 1.00 0.00 H new ATOM 0 HH TYR A 64 3.709 1.131 -10.289 1.00 0.00 H new ATOM 965 N LYS A 65 -2.533 -2.876 -11.294 1.00 0.00 N ATOM 966 CA LYS A 65 -2.827 -2.300 -12.588 1.00 0.00 C ATOM 967 C LYS A 65 -3.542 -0.987 -12.434 1.00 0.00 C ATOM 968 O LYS A 65 -4.190 -0.717 -11.420 1.00 0.00 O ATOM 969 CB LYS A 65 -3.650 -3.254 -13.446 1.00 0.00 C ATOM 970 CG LYS A 65 -2.892 -4.511 -13.804 1.00 0.00 C ATOM 971 CD LYS A 65 -1.610 -4.188 -14.554 1.00 0.00 C ATOM 972 CE LYS A 65 -0.750 -5.423 -14.769 1.00 0.00 C ATOM 973 NZ LYS A 65 0.540 -5.091 -15.434 1.00 0.00 N ATOM 0 H LYS A 65 -3.350 -3.040 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.878 -2.124 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.562 -3.523 -12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.954 -2.744 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.655 -5.066 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.522 -5.156 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.856 -3.745 -15.519 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.042 -3.443 -13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.552 -5.899 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.296 -6.145 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.208 -5.878 -15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.377 -4.935 -16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.937 -4.228 -15.010 1.00 0.00 H new ATOM 987 N VAL A 66 -3.402 -0.177 -13.454 1.00 0.00 N ATOM 988 CA VAL A 66 -3.933 1.169 -13.446 1.00 0.00 C ATOM 989 C VAL A 66 -5.285 1.212 -14.136 1.00 0.00 C ATOM 990 O VAL A 66 -5.393 0.947 -15.337 1.00 0.00 O ATOM 991 CB VAL A 66 -2.963 2.149 -14.142 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.539 3.556 -14.181 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.610 2.149 -13.441 1.00 0.00 C ATOM 0 H VAL A 66 -2.917 -0.430 -14.315 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.052 1.474 -12.406 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.825 1.812 -15.169 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.834 4.224 -14.677 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.480 3.549 -14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.716 3.905 -13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.939 2.845 -13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.738 2.456 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.183 1.146 -13.473 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.315 1.530 -13.369 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.652 1.672 -13.914 1.00 0.00 C ATOM 1005 C ILE A 67 -7.793 3.054 -14.524 1.00 0.00 C ATOM 1006 O ILE A 67 -8.148 3.206 -15.694 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.743 1.495 -12.838 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.459 0.266 -11.969 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.114 1.384 -13.495 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.511 0.010 -10.910 1.00 0.00 C ATOM 0 H ILE A 67 -6.249 1.695 -12.365 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.788 0.892 -14.663 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.735 2.372 -12.191 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.382 -0.611 -12.611 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.491 0.392 -11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.877 1.259 -12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.318 2.290 -14.066 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.128 0.523 -14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.241 -0.876 -10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.573 0.870 -10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.478 -0.149 -11.388 1.00 0.00 H new ATOM 1022 N SER A 68 -7.491 4.056 -13.714 1.00 0.00 N ATOM 1023 CA SER A 68 -7.568 5.439 -14.140 1.00 0.00 C ATOM 1024 C SER A 68 -6.343 6.196 -13.653 1.00 0.00 C ATOM 1025 O SER A 68 -5.738 5.838 -12.644 1.00 0.00 O ATOM 1026 CB SER A 68 -8.829 6.098 -13.582 1.00 0.00 C ATOM 1027 OG SER A 68 -9.939 5.208 -13.627 1.00 0.00 O ATOM 0 H SER A 68 -7.187 3.932 -12.748 1.00 0.00 H new ATOM 0 HA SER A 68 -7.606 5.467 -15.229 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.653 6.412 -12.553 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.057 6.997 -14.155 1.00 0.00 H new ATOM 0 HG SER A 68 -10.112 4.856 -12.729 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.986 7.238 -14.370 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.840 8.058 -14.017 1.00 0.00 C ATOM 1035 C GLN A 69 -5.103 9.493 -14.446 1.00 0.00 C ATOM 1036 O GLN A 69 -5.842 9.730 -15.404 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.563 7.523 -14.679 1.00 0.00 C ATOM 1038 CG GLN A 69 -2.303 8.259 -14.250 1.00 0.00 C ATOM 1039 CD GLN A 69 -1.072 7.808 -15.008 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -0.364 6.895 -14.586 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -0.810 8.444 -16.137 1.00 0.00 N ATOM 0 H GLN A 69 -6.476 7.543 -15.211 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.694 8.023 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.455 6.465 -14.440 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.666 7.596 -15.762 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.444 9.329 -14.400 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.143 8.105 -13.183 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.422 9.196 -16.453 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.004 8.182 -16.693 1.00 0.00 H new ATOM 1050 N SER A 70 -4.519 10.441 -13.736 1.00 0.00 N ATOM 1051 CA SER A 70 -4.689 11.843 -14.062 1.00 0.00 C ATOM 1052 C SER A 70 -3.402 12.612 -13.811 1.00 0.00 C ATOM 1053 O SER A 70 -2.713 12.376 -12.815 1.00 0.00 O ATOM 1054 CB SER A 70 -5.817 12.457 -13.231 1.00 0.00 C ATOM 1055 OG SER A 70 -6.031 13.814 -13.583 1.00 0.00 O ATOM 0 H SER A 70 -3.922 10.264 -12.928 1.00 0.00 H new ATOM 0 HA SER A 70 -4.946 11.911 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.735 11.890 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.571 12.387 -12.171 1.00 0.00 H new ATOM 0 HG SER A 70 -6.926 14.089 -13.295 1.00 0.00 H new ATOM 1061 N THR A 71 -3.087 13.522 -14.724 1.00 0.00 N ATOM 1062 CA THR A 71 -1.973 14.440 -14.551 1.00 0.00 C ATOM 1063 C THR A 71 -2.270 15.445 -13.439 1.00 0.00 C ATOM 1064 O THR A 71 -1.368 16.097 -12.910 1.00 0.00 O ATOM 1065 CB THR A 71 -1.694 15.197 -15.861 1.00 0.00 C ATOM 1066 OG1 THR A 71 -2.937 15.612 -16.452 1.00 0.00 O ATOM 1067 CG2 THR A 71 -0.923 14.325 -16.839 1.00 0.00 C ATOM 0 H THR A 71 -3.595 13.643 -15.600 1.00 0.00 H new ATOM 0 HA THR A 71 -1.094 13.856 -14.277 1.00 0.00 H new ATOM 0 HB THR A 71 -1.087 16.073 -15.632 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.758 16.095 -17.285 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.738 14.883 -17.757 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.028 14.033 -16.394 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.505 13.433 -17.068 1.00 0.00 H new ATOM 1075 N ASP A 72 -3.551 15.557 -13.102 1.00 0.00 N ATOM 1076 CA ASP A 72 -4.010 16.472 -12.061 1.00 0.00 C ATOM 1077 C ASP A 72 -3.476 16.072 -10.696 1.00 0.00 C ATOM 1078 O ASP A 72 -3.021 16.916 -9.920 1.00 0.00 O ATOM 1079 CB ASP A 72 -5.538 16.502 -12.022 1.00 0.00 C ATOM 1080 CG ASP A 72 -6.067 17.347 -10.885 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -6.067 18.586 -11.014 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -6.501 16.777 -9.861 1.00 0.00 O ATOM 0 H ASP A 72 -4.298 15.019 -13.541 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.629 17.465 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.916 16.892 -12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.917 15.485 -11.922 1.00 0.00 H new ATOM 1087 N GLY A 73 -3.549 14.787 -10.400 1.00 0.00 N ATOM 1088 CA GLY A 73 -3.055 14.300 -9.127 1.00 0.00 C ATOM 1089 C GLY A 73 -3.964 13.262 -8.503 1.00 0.00 C ATOM 1090 O GLY A 73 -4.055 13.162 -7.282 1.00 0.00 O ATOM 0 H GLY A 73 -3.939 14.072 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.063 13.870 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.944 15.139 -8.440 1.00 0.00 H new ATOM 1094 N SER A 74 -4.648 12.502 -9.342 1.00 0.00 N ATOM 1095 CA SER A 74 -5.476 11.410 -8.876 1.00 0.00 C ATOM 1096 C SER A 74 -5.256 10.169 -9.724 1.00 0.00 C ATOM 1097 O SER A 74 -5.270 10.226 -10.955 1.00 0.00 O ATOM 1098 CB SER A 74 -6.943 11.812 -8.890 1.00 0.00 C ATOM 1099 OG SER A 74 -7.228 12.682 -9.975 1.00 0.00 O ATOM 0 H SER A 74 -4.644 12.625 -10.355 1.00 0.00 H new ATOM 0 HA SER A 74 -5.190 11.177 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.566 10.921 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.197 12.303 -7.951 1.00 0.00 H new ATOM 0 HG SER A 74 -8.178 12.923 -9.960 1.00 0.00 H new ATOM 1105 N ILE A 75 -5.042 9.052 -9.059 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.773 7.795 -9.739 1.00 0.00 C ATOM 1107 C ILE A 75 -5.582 6.668 -9.108 1.00 0.00 C ATOM 1108 O ILE A 75 -5.705 6.587 -7.886 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.269 7.428 -9.701 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.419 8.581 -10.250 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -3.012 6.153 -10.498 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.940 8.269 -10.325 1.00 0.00 C ATOM 0 H ILE A 75 -5.049 8.986 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.067 7.924 -10.781 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.984 7.253 -8.664 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.777 8.841 -11.246 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.564 9.459 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.950 5.909 -10.461 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.588 5.333 -10.069 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.314 6.305 -11.534 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.406 9.132 -10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.566 8.039 -9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.782 7.411 -10.979 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.146 5.817 -9.947 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.898 4.676 -9.476 1.00 0.00 C ATOM 1126 C GLU A 76 -6.224 3.397 -9.937 1.00 0.00 C ATOM 1127 O GLU A 76 -6.011 3.187 -11.133 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.328 4.728 -9.990 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.232 3.677 -9.379 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.670 3.847 -9.803 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.962 3.703 -11.004 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.519 4.124 -8.928 1.00 0.00 O ATOM 0 H GLU A 76 -6.095 5.899 -10.962 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.925 4.698 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.743 5.715 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.321 4.603 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.884 2.686 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.166 3.731 -8.292 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.898 2.550 -8.988 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.176 1.316 -9.267 1.00 0.00 C ATOM 1141 C ILE A 77 -5.845 0.148 -8.564 1.00 0.00 C ATOM 1142 O ILE A 77 -6.592 0.341 -7.611 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.697 1.398 -8.828 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.595 1.796 -7.352 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.936 2.384 -9.706 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.175 1.833 -6.827 1.00 0.00 C ATOM 0 H ILE A 77 -6.122 2.690 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.200 1.165 -10.346 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.246 0.413 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.048 2.778 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.175 1.093 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.896 2.430 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.980 2.056 -10.744 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.387 3.372 -9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.183 2.122 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.724 0.846 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.595 2.557 -7.398 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.600 -1.053 -9.043 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.204 -2.235 -8.458 1.00 0.00 C ATOM 1160 C GLN A 78 -5.187 -3.363 -8.397 1.00 0.00 C ATOM 1161 O GLN A 78 -4.350 -3.498 -9.291 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.432 -2.634 -9.282 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.246 -3.773 -8.696 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.688 -3.736 -9.177 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.971 -3.294 -10.289 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.611 -4.182 -8.338 1.00 0.00 N ATOM 0 H GLN A 78 -4.987 -1.239 -9.837 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.525 -2.023 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.078 -1.763 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.105 -2.916 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.793 -4.725 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.223 -3.715 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.338 -4.542 -7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.595 -4.166 -8.607 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.235 -4.137 -7.319 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.357 -5.287 -7.165 1.00 0.00 C ATOM 1177 C TYR A 79 -4.782 -6.399 -8.112 1.00 0.00 C ATOM 1178 O TYR A 79 -5.804 -6.296 -8.786 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.387 -5.810 -5.726 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.828 -4.859 -4.691 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -4.619 -3.860 -4.138 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -2.515 -4.976 -4.250 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -4.117 -3.002 -3.180 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -2.008 -4.125 -3.287 1.00 0.00 C ATOM 1185 CZ TYR A 79 -2.812 -3.142 -2.755 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.314 -2.299 -1.791 1.00 0.00 O ATOM 0 H TYR A 79 -5.874 -3.987 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.342 -4.970 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.418 -6.046 -5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.825 -6.743 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.643 -3.753 -4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.881 -5.745 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.743 -2.225 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.986 -4.230 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.381 -2.531 -1.604 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.998 -7.458 -8.161 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.335 -8.610 -8.975 1.00 0.00 C ATOM 1198 C LEU A 80 -4.283 -9.884 -8.152 1.00 0.00 C ATOM 1199 O LEU A 80 -3.885 -9.864 -6.983 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.411 -8.693 -10.186 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.670 -7.628 -11.254 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.538 -7.611 -12.269 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -5.001 -7.890 -11.948 1.00 0.00 C ATOM 0 H LEU A 80 -3.122 -7.545 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.356 -8.493 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.379 -8.606 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.515 -9.678 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.716 -6.652 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.736 -6.849 -13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.599 -7.386 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.466 -8.586 -12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.173 -7.125 -12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.977 -8.871 -12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.806 -7.861 -11.214 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.679 -10.994 -8.755 1.00 0.00 N ATOM 1216 CA GLY A 81 -4.838 -12.212 -7.999 1.00 0.00 C ATOM 1217 C GLY A 81 -6.177 -12.227 -7.299 1.00 0.00 C ATOM 1218 O GLY A 81 -7.116 -11.582 -7.760 1.00 0.00 O ATOM 0 H GLY A 81 -4.892 -11.071 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.758 -13.073 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.036 -12.300 -7.266 1.00 0.00 H new ATOM 1222 N PRO A 82 -6.303 -12.934 -6.168 1.00 0.00 N ATOM 1223 CA PRO A 82 -7.546 -12.953 -5.387 1.00 0.00 C ATOM 1224 C PRO A 82 -7.884 -11.574 -4.816 1.00 0.00 C ATOM 1225 O PRO A 82 -8.977 -11.350 -4.296 1.00 0.00 O ATOM 1226 CB PRO A 82 -7.250 -13.938 -4.249 1.00 0.00 C ATOM 1227 CG PRO A 82 -6.046 -14.699 -4.685 1.00 0.00 C ATOM 1228 CD PRO A 82 -5.259 -13.767 -5.557 1.00 0.00 C ATOM 0 HA PRO A 82 -8.403 -13.238 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.064 -13.412 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.095 -14.605 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.456 -15.021 -3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.330 -15.598 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.553 -13.171 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.681 -14.306 -6.307 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.942 -10.649 -4.934 1.00 0.00 N ATOM 1237 CA TYR A 83 -7.096 -9.317 -4.373 1.00 0.00 C ATOM 1238 C TYR A 83 -7.454 -8.316 -5.466 1.00 0.00 C ATOM 1239 O TYR A 83 -7.310 -7.111 -5.282 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.795 -8.882 -3.694 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.140 -9.968 -2.872 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -5.754 -10.473 -1.735 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -3.911 -10.497 -3.247 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -5.157 -11.470 -0.989 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -3.310 -11.495 -2.507 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.939 -11.979 -1.380 1.00 0.00 C ATOM 1247 OH TYR A 83 -3.343 -12.974 -0.641 1.00 0.00 O ATOM 0 H TYR A 83 -6.057 -10.800 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.900 -9.344 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.094 -8.545 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.001 -8.027 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.713 -10.081 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.418 -10.121 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.644 -11.849 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.353 -11.894 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.489 -13.221 -1.054 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.970 -8.811 -6.586 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.201 -7.966 -7.736 1.00 0.00 C ATOM 1259 C TYR A 84 -9.633 -7.429 -7.822 1.00 0.00 C ATOM 1260 O TYR A 84 -9.953 -6.755 -8.793 1.00 0.00 O ATOM 1261 CB TYR A 84 -7.789 -8.686 -9.031 1.00 0.00 C ATOM 1262 CG TYR A 84 -8.888 -9.407 -9.782 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.487 -10.555 -9.276 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -9.309 -8.940 -11.019 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.473 -11.213 -9.986 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -10.289 -9.594 -11.736 1.00 0.00 C ATOM 1267 CZ TYR A 84 -10.872 -10.730 -11.215 1.00 0.00 C ATOM 1268 OH TYR A 84 -11.849 -11.389 -11.929 1.00 0.00 O ATOM 0 H TYR A 84 -8.233 -9.788 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.567 -7.089 -7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.342 -7.952 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.011 -9.410 -8.786 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.177 -10.938 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.860 -8.047 -11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.930 -12.103 -9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.598 -9.219 -12.700 1.00 0.00 H new ATOM 0 HH TYR A 84 -12.013 -10.917 -12.772 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.550 -7.700 -6.856 1.00 0.00 N ATOM 1279 CA PRO A 85 -11.742 -6.898 -6.767 1.00 0.00 C ATOM 1280 C PRO A 85 -11.592 -5.742 -5.782 1.00 0.00 C ATOM 1281 O PRO A 85 -12.479 -4.901 -5.646 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.798 -7.879 -6.303 1.00 0.00 C ATOM 1283 CG PRO A 85 -12.059 -8.893 -5.489 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.608 -8.835 -5.908 1.00 0.00 C ATOM 0 HA PRO A 85 -11.986 -6.421 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.565 -7.381 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.302 -8.345 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.160 -8.680 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.467 -9.890 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.952 -8.673 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.292 -9.765 -6.380 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.454 -5.708 -5.104 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.147 -4.644 -4.163 1.00 0.00 C ATOM 1294 C LEU A 86 -9.207 -3.641 -4.813 1.00 0.00 C ATOM 1295 O LEU A 86 -8.057 -3.958 -5.107 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.506 -5.220 -2.895 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.019 -4.185 -1.873 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -10.180 -3.368 -1.334 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -8.277 -4.873 -0.740 1.00 0.00 C ATOM 0 H LEU A 86 -9.722 -6.413 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.073 -4.141 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.230 -5.873 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.660 -5.843 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.333 -3.503 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.809 -2.641 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.669 -2.845 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.896 -4.030 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.937 -4.127 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.944 -5.577 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.417 -5.409 -1.141 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.700 -2.438 -5.059 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.885 -1.420 -5.695 1.00 0.00 C ATOM 1313 C LYS A 87 -8.326 -0.443 -4.663 1.00 0.00 C ATOM 1314 O LYS A 87 -8.720 -0.451 -3.495 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.681 -0.668 -6.771 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.859 0.140 -6.247 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.554 0.874 -7.381 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.703 1.734 -6.883 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.361 2.469 -7.999 1.00 0.00 N ATOM 0 H LYS A 87 -10.650 -2.146 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.048 -1.922 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.005 0.004 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.049 -1.389 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.567 -0.522 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.512 0.856 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.832 1.501 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.930 0.151 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.436 1.105 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.332 2.446 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.338 2.706 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.835 3.344 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.371 1.871 -8.850 1.00 0.00 H new ATOM 1333 N SER A 88 -7.415 0.395 -5.117 1.00 0.00 N ATOM 1334 CA SER A 88 -6.760 1.374 -4.277 1.00 0.00 C ATOM 1335 C SER A 88 -6.827 2.737 -4.955 1.00 0.00 C ATOM 1336 O SER A 88 -7.019 2.829 -6.170 1.00 0.00 O ATOM 1337 CB SER A 88 -5.306 0.953 -4.027 1.00 0.00 C ATOM 1338 OG SER A 88 -4.568 1.980 -3.405 1.00 0.00 O ATOM 0 H SER A 88 -7.107 0.414 -6.089 1.00 0.00 H new ATOM 0 HA SER A 88 -7.264 1.437 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.287 0.061 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.835 0.688 -4.974 1.00 0.00 H new ATOM 0 HG SER A 88 -4.940 2.158 -2.516 1.00 0.00 H new ATOM 1344 N THR A 89 -6.690 3.790 -4.176 1.00 0.00 N ATOM 1345 CA THR A 89 -6.791 5.130 -4.709 1.00 0.00 C ATOM 1346 C THR A 89 -5.597 5.976 -4.292 1.00 0.00 C ATOM 1347 O THR A 89 -5.104 5.867 -3.171 1.00 0.00 O ATOM 1348 CB THR A 89 -8.076 5.815 -4.232 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.172 4.891 -4.304 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.394 7.039 -5.080 1.00 0.00 C ATOM 0 H THR A 89 -6.509 3.743 -3.173 1.00 0.00 H new ATOM 0 HA THR A 89 -6.809 5.043 -5.795 1.00 0.00 H new ATOM 0 HB THR A 89 -7.926 6.137 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.992 5.331 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.311 7.504 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.573 7.753 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.526 6.737 -6.119 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.148 6.807 -5.206 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.047 7.723 -4.961 1.00 0.00 C ATOM 1360 C LEU A 90 -4.526 9.147 -5.185 1.00 0.00 C ATOM 1361 O LEU A 90 -5.036 9.476 -6.257 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.873 7.415 -5.897 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.234 6.035 -5.718 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.199 5.782 -6.805 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.594 5.919 -4.342 1.00 0.00 C ATOM 0 H LEU A 90 -5.536 6.870 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.706 7.605 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.218 7.506 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.105 8.174 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.016 5.281 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.755 4.797 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.680 5.825 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.420 6.542 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.145 4.932 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.824 6.683 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.355 6.059 -3.574 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.378 9.985 -4.177 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.855 11.352 -4.254 1.00 0.00 C ATOM 1379 C LYS A 91 -3.796 12.333 -3.794 1.00 0.00 C ATOM 1380 O LYS A 91 -2.907 11.990 -3.017 1.00 0.00 O ATOM 1381 CB LYS A 91 -6.102 11.525 -3.392 1.00 0.00 C ATOM 1382 CG LYS A 91 -7.319 10.786 -3.914 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.422 10.751 -2.874 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.673 10.075 -3.405 1.00 0.00 C ATOM 1385 NZ LYS A 91 -10.710 9.938 -2.349 1.00 0.00 N ATOM 0 H LYS A 91 -3.930 9.742 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.094 11.558 -5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.884 11.178 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.337 12.587 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.683 11.272 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.041 9.768 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.070 10.222 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.662 11.768 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.074 10.653 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.417 9.090 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.610 9.647 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.410 9.220 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.837 10.851 -1.867 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.908 13.551 -4.276 1.00 0.00 N ATOM 1400 CA ARG A 92 -3.044 14.626 -3.842 1.00 0.00 C ATOM 1401 C ARG A 92 -3.606 15.245 -2.566 1.00 0.00 C ATOM 1402 O ARG A 92 -4.815 15.186 -2.324 1.00 0.00 O ATOM 1403 CB ARG A 92 -2.948 15.688 -4.938 1.00 0.00 C ATOM 1404 CG ARG A 92 -4.213 16.512 -5.075 1.00 0.00 C ATOM 1405 CD ARG A 92 -4.115 17.537 -6.188 1.00 0.00 C ATOM 1406 NE ARG A 92 -4.911 18.721 -5.876 1.00 0.00 N ATOM 1407 CZ ARG A 92 -5.860 19.233 -6.657 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -6.185 18.649 -7.802 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -6.499 20.330 -6.274 1.00 0.00 N ATOM 0 H ARG A 92 -4.597 13.823 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.047 14.232 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.110 16.351 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.732 15.202 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.056 15.849 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.416 17.021 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.073 17.822 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.460 17.098 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.725 19.192 -4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.706 17.797 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.914 19.052 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.262 20.775 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.227 20.729 -6.866 1.00 0.00 H new ATOM 1423 N GLY A 93 -2.739 15.807 -1.743 1.00 0.00 N ATOM 1424 CA GLY A 93 -3.205 16.568 -0.604 1.00 0.00 C ATOM 1425 C GLY A 93 -3.404 18.028 -0.960 1.00 0.00 C ATOM 1426 O GLY A 93 -3.598 18.367 -2.130 1.00 0.00 O ATOM 0 H GLY A 93 -1.725 15.751 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.144 16.148 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.485 16.485 0.210 1.00 0.00 H new ATOM 1430 N GLU A 94 -3.362 18.900 0.036 1.00 0.00 N ATOM 1431 CA GLU A 94 -3.416 20.331 -0.212 1.00 0.00 C ATOM 1432 C GLU A 94 -2.016 20.810 -0.551 1.00 0.00 C ATOM 1433 O GLU A 94 -1.820 21.772 -1.295 1.00 0.00 O ATOM 1434 CB GLU A 94 -3.955 21.070 1.013 1.00 0.00 C ATOM 1435 CG GLU A 94 -4.345 22.509 0.726 1.00 0.00 C ATOM 1436 CD GLU A 94 -4.675 23.283 1.980 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -5.734 23.030 2.589 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -3.864 24.145 2.373 1.00 0.00 O ATOM 0 H GLU A 94 -3.291 18.642 1.020 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.090 20.537 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.824 20.536 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.199 21.056 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.528 23.005 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.207 22.522 0.058 1.00 0.00 H new ATOM 1445 N ASN A 95 -1.050 20.098 -0.001 1.00 0.00 N ATOM 1446 CA ASN A 95 0.355 20.323 -0.289 1.00 0.00 C ATOM 1447 C ASN A 95 0.889 19.165 -1.121 1.00 0.00 C ATOM 1448 O ASN A 95 0.111 18.375 -1.658 1.00 0.00 O ATOM 1449 CB ASN A 95 1.158 20.454 1.010 1.00 0.00 C ATOM 1450 CG ASN A 95 0.927 21.773 1.722 1.00 0.00 C ATOM 1451 OD1 ASN A 95 1.618 22.758 1.467 1.00 0.00 O ATOM 1452 ND2 ASN A 95 -0.036 21.800 2.629 1.00 0.00 N ATOM 0 H ASN A 95 -1.219 19.342 0.663 1.00 0.00 H new ATOM 0 HA ASN A 95 0.459 21.253 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.892 19.636 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.220 20.350 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.227 22.659 3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.588 20.962 2.812 1.00 0.00 H new ATOM 1459 N GLY A 96 2.206 19.054 -1.216 1.00 0.00 N ATOM 1460 CA GLY A 96 2.809 17.984 -1.986 1.00 0.00 C ATOM 1461 C GLY A 96 2.862 16.677 -1.220 1.00 0.00 C ATOM 1462 O GLY A 96 3.926 16.080 -1.070 1.00 0.00 O ATOM 0 H GLY A 96 2.870 19.688 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.243 17.839 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.819 18.273 -2.275 1.00 0.00 H new ATOM 1466 N THR A 97 1.717 16.240 -0.722 1.00 0.00 N ATOM 1467 CA THR A 97 1.627 14.977 -0.016 1.00 0.00 C ATOM 1468 C THR A 97 0.704 14.014 -0.753 1.00 0.00 C ATOM 1469 O THR A 97 -0.180 14.440 -1.503 1.00 0.00 O ATOM 1470 CB THR A 97 1.130 15.173 1.433 1.00 0.00 C ATOM 1471 OG1 THR A 97 -0.061 15.971 1.451 1.00 0.00 O ATOM 1472 CG2 THR A 97 2.197 15.835 2.289 1.00 0.00 C ATOM 0 H THR A 97 0.834 16.746 -0.795 1.00 0.00 H new ATOM 0 HA THR A 97 2.630 14.552 0.021 1.00 0.00 H new ATOM 0 HB THR A 97 0.910 14.188 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.365 16.085 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.822 15.962 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.089 15.209 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.446 16.810 1.870 1.00 0.00 H new ATOM 1480 N LEU A 98 0.916 12.721 -0.551 1.00 0.00 N ATOM 1481 CA LEU A 98 0.121 11.710 -1.227 1.00 0.00 C ATOM 1482 C LEU A 98 -0.850 11.052 -0.259 1.00 0.00 C ATOM 1483 O LEU A 98 -0.463 10.593 0.820 1.00 0.00 O ATOM 1484 CB LEU A 98 1.023 10.641 -1.857 1.00 0.00 C ATOM 1485 CG LEU A 98 0.286 9.474 -2.529 1.00 0.00 C ATOM 1486 CD1 LEU A 98 -0.513 9.957 -3.729 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.269 8.392 -2.950 1.00 0.00 C ATOM 0 H LEU A 98 1.631 12.350 0.075 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.446 12.205 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.663 11.120 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.677 10.239 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.408 9.050 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.026 9.112 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.247 10.695 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.161 10.411 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.728 7.573 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.988 8.808 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.796 8.018 -2.072 1.00 0.00 H new ATOM 1499 N ILE A 99 -2.112 11.029 -0.643 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.125 10.315 0.103 1.00 0.00 C ATOM 1501 C ILE A 99 -3.383 8.970 -0.560 1.00 0.00 C ATOM 1502 O ILE A 99 -3.927 8.904 -1.663 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.444 11.112 0.184 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -4.202 12.471 0.845 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.498 10.325 0.949 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -5.437 13.346 0.927 1.00 0.00 C ATOM 0 H ILE A 99 -2.460 11.503 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.759 10.172 1.120 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.811 11.279 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.816 12.310 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.430 13.002 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.421 10.903 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.687 9.380 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.142 10.128 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.182 14.291 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.813 13.540 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.205 12.838 1.510 1.00 0.00 H new ATOM 1518 N TRP A 100 -2.971 7.907 0.107 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.134 6.562 -0.416 1.00 0.00 C ATOM 1520 C TRP A 100 -4.303 5.880 0.274 1.00 0.00 C ATOM 1521 O TRP A 100 -4.286 5.673 1.488 1.00 0.00 O ATOM 1522 CB TRP A 100 -1.842 5.749 -0.219 1.00 0.00 C ATOM 1523 CG TRP A 100 -1.919 4.329 -0.711 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -2.652 3.851 -1.761 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -1.221 3.198 -0.172 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -2.455 2.504 -1.898 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -1.582 2.078 -0.942 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -0.323 3.024 0.880 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -1.089 0.805 -0.685 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 0.168 1.758 1.135 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -0.212 0.663 0.352 1.00 0.00 C ATOM 0 H TRP A 100 -2.517 7.950 1.020 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.341 6.620 -1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.026 6.256 -0.735 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -1.591 5.740 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.293 4.450 -2.391 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -2.892 1.912 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.016 3.864 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.389 -0.042 -1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 0.857 1.611 1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.196 -0.313 0.572 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.328 5.563 -0.495 1.00 0.00 N ATOM 1543 CA GLU A 101 -6.448 4.819 0.036 1.00 0.00 C ATOM 1544 C GLU A 101 -6.313 3.360 -0.313 1.00 0.00 C ATOM 1545 O GLU A 101 -6.093 2.994 -1.468 1.00 0.00 O ATOM 1546 CB GLU A 101 -7.771 5.349 -0.497 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.320 6.508 0.306 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.654 7.000 -0.215 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -9.681 7.705 -1.243 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -10.692 6.670 0.399 1.00 0.00 O ATOM 0 H GLU A 101 -5.406 5.808 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.442 4.940 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.637 5.664 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.502 4.541 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.431 6.203 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.603 7.329 0.289 1.00 0.00 H new ATOM 1557 N GLN A 102 -6.466 2.544 0.693 1.00 0.00 N ATOM 1558 CA GLN A 102 -6.365 1.103 0.539 1.00 0.00 C ATOM 1559 C GLN A 102 -7.181 0.403 1.615 1.00 0.00 C ATOM 1560 O GLN A 102 -7.104 0.774 2.787 1.00 0.00 O ATOM 1561 CB GLN A 102 -4.897 0.660 0.599 1.00 0.00 C ATOM 1562 CG GLN A 102 -4.652 -0.745 0.063 1.00 0.00 C ATOM 1563 CD GLN A 102 -4.299 -1.748 1.146 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -4.753 -1.645 2.283 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -3.469 -2.717 0.795 1.00 0.00 N ATOM 0 H GLN A 102 -6.664 2.850 1.646 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.766 0.825 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.292 1.366 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.555 0.708 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.544 -1.087 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.845 -0.712 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.116 -2.765 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.182 -3.416 1.480 1.00 0.00 H new ATOM 1574 N ASN A 103 -7.990 -0.573 1.204 1.00 0.00 N ATOM 1575 CA ASN A 103 -8.710 -1.449 2.139 1.00 0.00 C ATOM 1576 C ASN A 103 -9.765 -0.683 2.940 1.00 0.00 C ATOM 1577 O ASN A 103 -10.328 -1.208 3.899 1.00 0.00 O ATOM 1578 CB ASN A 103 -7.721 -2.117 3.104 1.00 0.00 C ATOM 1579 CG ASN A 103 -8.089 -3.550 3.425 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -8.846 -3.826 4.357 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -7.528 -4.475 2.662 1.00 0.00 N ATOM 0 H ASN A 103 -8.167 -0.781 0.221 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.221 -2.208 1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.722 -2.093 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.679 -1.542 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.717 -5.462 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.907 -4.200 1.901 1.00 0.00 H new ATOM 1588 N GLY A 104 -10.037 0.552 2.539 1.00 0.00 N ATOM 1589 CA GLY A 104 -10.992 1.370 3.255 1.00 0.00 C ATOM 1590 C GLY A 104 -10.311 2.372 4.163 1.00 0.00 C ATOM 1591 O GLY A 104 -10.975 3.125 4.878 1.00 0.00 O ATOM 0 H GLY A 104 -9.611 1.001 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.624 1.898 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.646 0.730 3.847 1.00 0.00 H new ATOM 1595 N GLN A 105 -8.984 2.381 4.144 1.00 0.00 N ATOM 1596 CA GLN A 105 -8.220 3.319 4.948 1.00 0.00 C ATOM 1597 C GLN A 105 -7.838 4.535 4.117 1.00 0.00 C ATOM 1598 O GLN A 105 -7.437 4.399 2.961 1.00 0.00 O ATOM 1599 CB GLN A 105 -6.940 2.675 5.485 1.00 0.00 C ATOM 1600 CG GLN A 105 -7.154 1.349 6.190 1.00 0.00 C ATOM 1601 CD GLN A 105 -5.880 0.832 6.830 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -5.031 1.613 7.273 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -5.727 -0.484 6.874 1.00 0.00 N ATOM 0 H GLN A 105 -8.417 1.748 3.580 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.849 3.618 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.248 2.525 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.462 3.368 6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.922 1.465 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.524 0.614 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.452 -1.095 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.884 -0.886 7.285 1.00 0.00 H new ATOM 1612 N ARG A 106 -7.975 5.711 4.704 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.471 6.930 4.094 1.00 0.00 C ATOM 1614 C ARG A 106 -6.134 7.255 4.743 1.00 0.00 C ATOM 1615 O ARG A 106 -6.077 7.552 5.935 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.467 8.074 4.320 1.00 0.00 C ATOM 1617 CG ARG A 106 -8.207 9.324 3.493 1.00 0.00 C ATOM 1618 CD ARG A 106 -9.133 10.454 3.922 1.00 0.00 C ATOM 1619 NE ARG A 106 -9.090 11.603 3.013 1.00 0.00 N ATOM 1620 CZ ARG A 106 -9.209 12.872 3.410 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -9.254 13.170 4.705 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -9.270 13.844 2.507 1.00 0.00 N ATOM 0 H ARG A 106 -8.432 5.848 5.605 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.344 6.799 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.471 7.711 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.453 8.345 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.168 9.634 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.358 9.105 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.155 10.079 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.859 10.780 4.925 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.961 11.422 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.197 12.427 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.345 14.142 5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.226 13.620 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.361 14.814 2.808 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.058 7.191 3.979 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.734 7.336 4.559 1.00 0.00 C ATOM 1638 C LYS A 107 -2.987 8.514 3.972 1.00 0.00 C ATOM 1639 O LYS A 107 -3.015 8.752 2.768 1.00 0.00 O ATOM 1640 CB LYS A 107 -2.913 6.064 4.354 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.509 4.830 5.007 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.564 4.939 6.501 1.00 0.00 C ATOM 1643 CE LYS A 107 -2.271 4.494 7.121 1.00 0.00 C ATOM 1644 NZ LYS A 107 -1.987 3.051 6.873 1.00 0.00 N ATOM 0 H LYS A 107 -5.072 7.042 2.970 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.872 7.514 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.807 5.881 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.910 6.224 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.515 4.669 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.918 3.956 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.772 5.970 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.383 4.330 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.454 5.096 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.305 4.675 8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.213 2.738 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.840 2.490 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.710 2.917 5.880 1.00 0.00 H new ATOM 1658 N THR A 108 -2.322 9.237 4.841 1.00 0.00 N ATOM 1659 CA THR A 108 -1.451 10.327 4.440 1.00 0.00 C ATOM 1660 C THR A 108 -0.037 10.023 4.923 1.00 0.00 C ATOM 1661 O THR A 108 0.179 9.749 6.106 1.00 0.00 O ATOM 1662 CB THR A 108 -1.954 11.690 4.983 1.00 0.00 C ATOM 1663 OG1 THR A 108 -1.024 12.736 4.674 1.00 0.00 O ATOM 1664 CG2 THR A 108 -2.197 11.643 6.486 1.00 0.00 C ATOM 0 H THR A 108 -2.367 9.089 5.849 1.00 0.00 H new ATOM 0 HA THR A 108 -1.455 10.409 3.353 1.00 0.00 H new ATOM 0 HB THR A 108 -2.904 11.900 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.361 13.587 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.548 12.616 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.949 10.886 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.267 11.393 6.997 1.00 0.00 H new ATOM 1672 N MET A 109 0.921 10.020 4.007 1.00 0.00 N ATOM 1673 CA MET A 109 2.258 9.548 4.332 1.00 0.00 C ATOM 1674 C MET A 109 3.319 10.581 3.997 1.00 0.00 C ATOM 1675 O MET A 109 3.086 11.507 3.213 1.00 0.00 O ATOM 1676 CB MET A 109 2.549 8.244 3.585 1.00 0.00 C ATOM 1677 CG MET A 109 1.576 7.131 3.920 1.00 0.00 C ATOM 1678 SD MET A 109 1.940 5.600 3.044 1.00 0.00 S ATOM 1679 CE MET A 109 0.613 4.568 3.647 1.00 0.00 C ATOM 0 H MET A 109 0.800 10.335 3.044 1.00 0.00 H new ATOM 0 HA MET A 109 2.293 9.372 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.518 8.433 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.561 7.916 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.600 6.945 4.994 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.564 7.453 3.675 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.888 3.519 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.433 4.785 4.700 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.293 4.769 3.075 1.00 0.00 H new ATOM 1689 N THR A 110 4.479 10.413 4.609 1.00 0.00 N ATOM 1690 CA THR A 110 5.627 11.249 4.335 1.00 0.00 C ATOM 1691 C THR A 110 6.536 10.569 3.318 1.00 0.00 C ATOM 1692 O THR A 110 6.713 9.349 3.350 1.00 0.00 O ATOM 1693 CB THR A 110 6.405 11.530 5.629 1.00 0.00 C ATOM 1694 OG1 THR A 110 5.991 10.606 6.647 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.167 12.955 6.101 1.00 0.00 C ATOM 0 H THR A 110 4.648 9.691 5.310 1.00 0.00 H new ATOM 0 HA THR A 110 5.279 12.197 3.924 1.00 0.00 H new ATOM 0 HB THR A 110 7.470 11.406 5.431 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.489 10.784 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.727 13.133 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.499 13.653 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.104 13.103 6.291 1.00 0.00 H new ATOM 1703 N ARG A 111 7.092 11.359 2.410 1.00 0.00 N ATOM 1704 CA ARG A 111 7.932 10.829 1.348 1.00 0.00 C ATOM 1705 C ARG A 111 9.348 10.584 1.847 1.00 0.00 C ATOM 1706 O ARG A 111 9.992 11.491 2.383 1.00 0.00 O ATOM 1707 CB ARG A 111 7.958 11.800 0.164 1.00 0.00 C ATOM 1708 CG ARG A 111 8.933 11.415 -0.939 1.00 0.00 C ATOM 1709 CD ARG A 111 8.995 12.486 -2.014 1.00 0.00 C ATOM 1710 NE ARG A 111 10.118 12.294 -2.929 1.00 0.00 N ATOM 1711 CZ ARG A 111 11.211 13.058 -2.929 1.00 0.00 C ATOM 1712 NH1 ARG A 111 11.359 14.012 -2.014 1.00 0.00 N ATOM 1713 NH2 ARG A 111 12.158 12.861 -3.836 1.00 0.00 N ATOM 0 H ARG A 111 6.975 12.372 2.389 1.00 0.00 H new ATOM 0 HA ARG A 111 7.511 9.877 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.956 11.866 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.215 12.794 0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.926 11.264 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.629 10.467 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.064 12.482 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.077 13.465 -1.543 1.00 0.00 H new ATOM 0 HE ARG A 111 10.063 11.533 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.636 14.160 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.196 14.595 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.051 12.125 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.994 13.446 -3.836 1.00 0.00 H new ATOM 1727 N ILE A 112 9.818 9.359 1.673 1.00 0.00 N ATOM 1728 CA ILE A 112 11.196 9.019 1.969 1.00 0.00 C ATOM 1729 C ILE A 112 12.083 9.511 0.838 1.00 0.00 C ATOM 1730 O ILE A 112 11.673 9.529 -0.323 1.00 0.00 O ATOM 1731 CB ILE A 112 11.370 7.500 2.150 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.491 7.009 3.300 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.829 7.134 2.399 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.987 7.431 4.669 1.00 0.00 C ATOM 0 H ILE A 112 9.259 8.580 1.326 1.00 0.00 H new ATOM 0 HA ILE A 112 11.481 9.501 2.904 1.00 0.00 H new ATOM 0 HB ILE A 112 11.059 7.009 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.478 7.386 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.434 5.921 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.917 6.055 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.434 7.453 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.180 7.633 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.313 7.046 5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.988 7.031 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.017 8.519 4.726 1.00 0.00 H new ATOM 1746 N GLU A 113 13.290 9.896 1.178 1.00 0.00 N ATOM 1747 CA GLU A 113 14.191 10.499 0.216 1.00 0.00 C ATOM 1748 C GLU A 113 15.202 9.475 -0.275 1.00 0.00 C ATOM 1749 O GLU A 113 15.879 8.819 0.520 1.00 0.00 O ATOM 1750 CB GLU A 113 14.890 11.706 0.842 1.00 0.00 C ATOM 1751 CG GLU A 113 15.698 12.530 -0.142 1.00 0.00 C ATOM 1752 CD GLU A 113 16.159 13.837 0.459 1.00 0.00 C ATOM 1753 OE1 GLU A 113 15.386 14.818 0.415 1.00 0.00 O ATOM 1754 OE2 GLU A 113 17.283 13.886 0.999 1.00 0.00 O ATOM 0 H GLU A 113 13.675 9.803 2.118 1.00 0.00 H new ATOM 0 HA GLU A 113 13.617 10.843 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.140 12.346 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.550 11.359 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.565 11.956 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.095 12.731 -1.028 1.00 0.00 H new