USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=29 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 102 GLN : amide:sc= -2.08! K(o=-2.5!,f=-2) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.397 K(o=-2.5,f=-2!) USER MOD Set 2.1: A 74 SER OG : rot 126:sc= -0.775! USER MOD Set 2.2: A 91 LYS NZ :NH3+ 170:sc= 0.902 (180deg=-0.0566) USER MOD Set 3.1: A 37 THR OG1 : rot -160:sc= 2.34 USER MOD Set 3.2: A 48 THR OG1 : rot 102:sc= 1.21 USER MOD Set 4.1: A 20 THR OG1 : rot -97:sc= 0.728 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.645 USER MOD Single : A 14 THR OG1 : rot 39:sc= 0.211 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 48:sc= 1.3 USER MOD Single : A 30 THR OG1 : rot -29:sc= 0.0496 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 69:sc= 1.15 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -161:sc= -0.167 (180deg=-0.575) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= -1.49 (180deg=-3.91!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 78 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.3) USER MOD Single : A 79 TYR OH : rot -122:sc= 0.236 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+ 170:sc= 1.27 (180deg=1.13) USER MOD Single : A 88 SER OG : rot 36:sc= 1.44 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.004) USER MOD Single : A 97 THR OG1 : rot -81:sc= 0.0502 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= 1.26 (180deg=-0.000515) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -112:sc= -4.6! (180deg=-8.25!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 8.387 12.539 -14.125 1.00 0.00 N ATOM 205 CA THR A 14 8.445 11.981 -12.786 1.00 0.00 C ATOM 206 C THR A 14 7.046 11.757 -12.211 1.00 0.00 C ATOM 207 O THR A 14 6.329 12.712 -11.914 1.00 0.00 O ATOM 208 CB THR A 14 9.254 12.902 -11.850 1.00 0.00 C ATOM 209 OG1 THR A 14 10.505 13.237 -12.471 1.00 0.00 O ATOM 210 CG2 THR A 14 9.517 12.227 -10.510 1.00 0.00 C ATOM 0 HA THR A 14 8.943 11.014 -12.856 1.00 0.00 H new ATOM 0 HB THR A 14 8.672 13.806 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.366 13.381 -13.430 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.089 12.899 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.568 11.989 -10.030 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.083 11.309 -10.670 1.00 0.00 H new ATOM 218 N PRO A 15 6.635 10.485 -12.075 1.00 0.00 N ATOM 219 CA PRO A 15 5.365 10.121 -11.439 1.00 0.00 C ATOM 220 C PRO A 15 5.390 10.427 -9.943 1.00 0.00 C ATOM 221 O PRO A 15 6.277 9.964 -9.224 1.00 0.00 O ATOM 222 CB PRO A 15 5.249 8.607 -11.684 1.00 0.00 C ATOM 223 CG PRO A 15 6.277 8.288 -12.717 1.00 0.00 C ATOM 224 CD PRO A 15 7.368 9.302 -12.535 1.00 0.00 C ATOM 0 HA PRO A 15 4.522 10.681 -11.843 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.428 8.047 -10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.250 8.341 -12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.659 7.275 -12.589 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.854 8.344 -13.720 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.107 8.974 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.902 9.493 -13.466 1.00 0.00 H new ATOM 232 N PHE A 16 4.411 11.196 -9.481 1.00 0.00 N ATOM 233 CA PHE A 16 4.407 11.696 -8.105 1.00 0.00 C ATOM 234 C PHE A 16 4.220 10.573 -7.087 1.00 0.00 C ATOM 235 O PHE A 16 4.544 10.737 -5.916 1.00 0.00 O ATOM 236 CB PHE A 16 3.312 12.759 -7.921 1.00 0.00 C ATOM 237 CG PHE A 16 1.906 12.218 -7.953 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.254 11.998 -9.157 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.239 11.926 -6.772 1.00 0.00 C ATOM 240 CE1 PHE A 16 -0.033 11.497 -9.181 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.048 11.425 -6.792 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.685 11.210 -7.997 1.00 0.00 C ATOM 0 H PHE A 16 3.608 11.489 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 16 5.383 12.148 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.471 13.266 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.417 13.510 -8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.758 12.221 -10.086 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.732 12.092 -5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.530 11.330 -10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.555 11.202 -5.865 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.691 10.818 -8.015 1.00 0.00 H new ATOM 252 N TYR A 17 3.700 9.438 -7.536 1.00 0.00 N ATOM 253 CA TYR A 17 3.427 8.324 -6.644 1.00 0.00 C ATOM 254 C TYR A 17 4.627 7.386 -6.543 1.00 0.00 C ATOM 255 O TYR A 17 4.684 6.533 -5.659 1.00 0.00 O ATOM 256 CB TYR A 17 2.207 7.543 -7.142 1.00 0.00 C ATOM 257 CG TYR A 17 2.414 6.849 -8.476 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.166 7.507 -9.672 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.850 5.527 -8.534 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.355 6.878 -10.887 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.043 4.891 -9.746 1.00 0.00 C ATOM 262 CZ TYR A 17 2.791 5.570 -10.918 1.00 0.00 C ATOM 263 OH TYR A 17 2.982 4.943 -12.127 1.00 0.00 O ATOM 0 H TYR A 17 3.460 9.267 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 17 3.225 8.730 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.938 6.796 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.362 8.227 -7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.819 8.530 -9.653 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.040 4.990 -7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.162 7.408 -11.808 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.389 3.868 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 17 3.292 4.026 -11.975 1.00 0.00 H new ATOM 273 N TYR A 18 5.585 7.556 -7.444 1.00 0.00 N ATOM 274 CA TYR A 18 6.680 6.604 -7.581 1.00 0.00 C ATOM 275 C TYR A 18 7.724 6.819 -6.495 1.00 0.00 C ATOM 276 O TYR A 18 8.124 7.950 -6.219 1.00 0.00 O ATOM 277 CB TYR A 18 7.313 6.740 -8.965 1.00 0.00 C ATOM 278 CG TYR A 18 8.091 5.526 -9.421 1.00 0.00 C ATOM 279 CD1 TYR A 18 7.447 4.476 -10.063 1.00 0.00 C ATOM 280 CD2 TYR A 18 9.463 5.433 -9.228 1.00 0.00 C ATOM 281 CE1 TYR A 18 8.147 3.370 -10.498 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.170 4.326 -9.661 1.00 0.00 C ATOM 283 CZ TYR A 18 9.505 3.299 -10.296 1.00 0.00 C ATOM 284 OH TYR A 18 10.206 2.199 -10.737 1.00 0.00 O ATOM 0 H TYR A 18 5.627 8.344 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 18 6.282 5.596 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.527 6.946 -9.691 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.979 7.603 -8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.380 4.526 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.986 6.237 -8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.630 2.563 -10.996 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.237 4.267 -9.503 1.00 0.00 H new ATOM 0 HH TYR A 18 9.959 2.004 -11.665 1.00 0.00 H new ATOM 294 N GLY A 19 8.152 5.727 -5.885 1.00 0.00 N ATOM 295 CA GLY A 19 9.133 5.794 -4.818 1.00 0.00 C ATOM 296 C GLY A 19 8.707 4.997 -3.603 1.00 0.00 C ATOM 297 O GLY A 19 7.924 4.052 -3.722 1.00 0.00 O ATOM 0 H GLY A 19 7.835 4.784 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.089 5.418 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.288 6.835 -4.533 1.00 0.00 H new ATOM 301 N THR A 20 9.224 5.368 -2.444 1.00 0.00 N ATOM 302 CA THR A 20 8.868 4.707 -1.197 1.00 0.00 C ATOM 303 C THR A 20 8.271 5.712 -0.215 1.00 0.00 C ATOM 304 O THR A 20 8.821 6.794 -0.007 1.00 0.00 O ATOM 305 CB THR A 20 10.092 4.014 -0.560 1.00 0.00 C ATOM 306 OG1 THR A 20 10.650 3.062 -1.479 1.00 0.00 O ATOM 307 CG2 THR A 20 9.715 3.306 0.737 1.00 0.00 C ATOM 0 H THR A 20 9.896 6.128 -2.339 1.00 0.00 H new ATOM 0 HA THR A 20 8.125 3.944 -1.426 1.00 0.00 H new ATOM 0 HB THR A 20 10.830 4.783 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.312 2.167 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.598 2.828 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.320 4.033 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.957 2.550 0.532 1.00 0.00 H new ATOM 315 N TRP A 21 7.136 5.354 0.371 1.00 0.00 N ATOM 316 CA TRP A 21 6.436 6.245 1.288 1.00 0.00 C ATOM 317 C TRP A 21 6.388 5.650 2.693 1.00 0.00 C ATOM 318 O TRP A 21 6.220 4.439 2.858 1.00 0.00 O ATOM 319 CB TRP A 21 5.020 6.519 0.775 1.00 0.00 C ATOM 320 CG TRP A 21 4.996 7.105 -0.602 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.013 6.421 -1.782 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.953 8.494 -0.943 1.00 0.00 C ATOM 323 NE1 TRP A 21 4.987 7.297 -2.836 1.00 0.00 N ATOM 324 CE2 TRP A 21 4.952 8.577 -2.348 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.918 9.676 -0.197 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.914 9.795 -3.019 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.882 10.883 -0.865 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.880 10.935 -2.265 1.00 0.00 C ATOM 0 H TRP A 21 6.680 4.453 0.228 1.00 0.00 H new ATOM 0 HA TRP A 21 6.982 7.187 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.453 5.588 0.777 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.517 7.200 1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.043 5.345 -1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 21 4.993 7.038 -3.823 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.919 9.645 0.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.911 9.839 -4.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.855 11.803 -0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.851 11.895 -2.759 1.00 0.00 H new ATOM 339 N ASP A 22 6.545 6.509 3.694 1.00 0.00 N ATOM 340 CA ASP A 22 6.567 6.084 5.098 1.00 0.00 C ATOM 341 C ASP A 22 5.278 6.455 5.830 1.00 0.00 C ATOM 342 O ASP A 22 4.786 7.581 5.711 1.00 0.00 O ATOM 343 CB ASP A 22 7.774 6.716 5.798 1.00 0.00 C ATOM 344 CG ASP A 22 7.699 6.669 7.310 1.00 0.00 C ATOM 345 OD1 ASP A 22 8.090 5.642 7.897 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.286 7.679 7.921 1.00 0.00 O ATOM 0 H ASP A 22 6.660 7.514 3.562 1.00 0.00 H new ATOM 0 HA ASP A 22 6.648 4.997 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.680 6.204 5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.863 7.755 5.480 1.00 0.00 H new ATOM 351 N GLU A 23 4.731 5.495 6.576 1.00 0.00 N ATOM 352 CA GLU A 23 3.581 5.746 7.434 1.00 0.00 C ATOM 353 C GLU A 23 4.055 6.055 8.849 1.00 0.00 C ATOM 354 O GLU A 23 3.913 5.238 9.759 1.00 0.00 O ATOM 355 CB GLU A 23 2.638 4.537 7.472 1.00 0.00 C ATOM 356 CG GLU A 23 2.100 4.114 6.119 1.00 0.00 C ATOM 357 CD GLU A 23 1.119 2.961 6.230 1.00 0.00 C ATOM 358 OE1 GLU A 23 1.512 1.880 6.725 1.00 0.00 O ATOM 359 OE2 GLU A 23 -0.058 3.139 5.844 1.00 0.00 O ATOM 0 H GLU A 23 5.070 4.533 6.601 1.00 0.00 H new ATOM 0 HA GLU A 23 3.036 6.597 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.166 3.694 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.798 4.769 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.609 4.963 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.929 3.823 5.474 1.00 0.00 H new ATOM 366 N GLY A 24 4.644 7.225 9.031 1.00 0.00 N ATOM 367 CA GLY A 24 5.172 7.595 10.331 1.00 0.00 C ATOM 368 C GLY A 24 4.125 8.207 11.238 1.00 0.00 C ATOM 369 O GLY A 24 4.401 9.182 11.940 1.00 0.00 O ATOM 0 H GLY A 24 4.767 7.928 8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.591 6.712 10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.989 8.304 10.198 1.00 0.00 H new ATOM 373 N ARG A 25 2.928 7.637 11.231 1.00 0.00 N ATOM 374 CA ARG A 25 1.830 8.140 12.038 1.00 0.00 C ATOM 375 C ARG A 25 0.703 7.119 12.065 1.00 0.00 C ATOM 376 O ARG A 25 0.508 6.389 11.091 1.00 0.00 O ATOM 377 CB ARG A 25 1.329 9.476 11.477 1.00 0.00 C ATOM 378 CG ARG A 25 0.377 10.223 12.400 1.00 0.00 C ATOM 379 CD ARG A 25 0.018 11.593 11.839 1.00 0.00 C ATOM 380 NE ARG A 25 1.203 12.440 11.655 1.00 0.00 N ATOM 381 CZ ARG A 25 1.157 13.735 11.339 1.00 0.00 C ATOM 382 NH1 ARG A 25 -0.014 14.347 11.211 1.00 0.00 N ATOM 383 NH2 ARG A 25 2.285 14.418 11.165 1.00 0.00 N ATOM 0 H ARG A 25 2.694 6.819 10.669 1.00 0.00 H new ATOM 0 HA ARG A 25 2.181 8.305 13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.188 10.113 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.827 9.293 10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.531 9.636 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.836 10.339 13.382 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.492 11.471 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.681 12.089 12.513 1.00 0.00 H new ATOM 0 HE ARG A 25 2.120 12.011 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.880 13.827 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.048 15.337 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.186 13.951 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.249 15.408 10.923 1.00 0.00 H new ATOM 397 N ALA A 26 -0.015 7.077 13.188 1.00 0.00 N ATOM 398 CA ALA A 26 -1.121 6.135 13.411 1.00 0.00 C ATOM 399 C ALA A 26 -0.605 4.720 13.685 1.00 0.00 C ATOM 400 O ALA A 26 0.415 4.304 13.138 1.00 0.00 O ATOM 401 CB ALA A 26 -2.107 6.137 12.243 1.00 0.00 C ATOM 0 H ALA A 26 0.154 7.700 13.978 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.656 6.475 14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.911 5.429 12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.526 7.136 12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.589 5.848 11.329 1.00 0.00 H new ATOM 407 N PRO A 27 -1.299 3.971 14.564 1.00 0.00 N ATOM 408 CA PRO A 27 -0.903 2.614 14.947 1.00 0.00 C ATOM 409 C PRO A 27 -1.303 1.561 13.913 1.00 0.00 C ATOM 410 O PRO A 27 -2.194 1.783 13.083 1.00 0.00 O ATOM 411 CB PRO A 27 -1.657 2.367 16.266 1.00 0.00 C ATOM 412 CG PRO A 27 -2.390 3.637 16.573 1.00 0.00 C ATOM 413 CD PRO A 27 -2.513 4.382 15.273 1.00 0.00 C ATOM 0 HA PRO A 27 0.181 2.532 15.033 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.350 1.532 16.167 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.964 2.114 17.069 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.373 3.426 16.994 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.848 4.229 17.310 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.416 4.105 14.729 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.551 5.461 15.424 1.00 0.00 H new ATOM 421 N GLY A 28 -0.652 0.407 13.986 1.00 0.00 N ATOM 422 CA GLY A 28 -0.913 -0.672 13.057 1.00 0.00 C ATOM 423 C GLY A 28 -1.253 -1.965 13.767 1.00 0.00 C ATOM 424 O GLY A 28 -1.781 -1.942 14.882 1.00 0.00 O ATOM 0 H GLY A 28 0.062 0.199 14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.736 -0.393 12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.038 -0.825 12.425 1.00 0.00 H new ATOM 428 N PRO A 29 -0.991 -3.108 13.109 1.00 0.00 N ATOM 429 CA PRO A 29 -1.162 -4.446 13.680 1.00 0.00 C ATOM 430 C PRO A 29 -0.761 -4.539 15.153 1.00 0.00 C ATOM 431 O PRO A 29 0.352 -4.176 15.541 1.00 0.00 O ATOM 432 CB PRO A 29 -0.230 -5.297 12.826 1.00 0.00 C ATOM 433 CG PRO A 29 -0.218 -4.636 11.491 1.00 0.00 C ATOM 434 CD PRO A 29 -0.524 -3.174 11.714 1.00 0.00 C ATOM 0 HA PRO A 29 -2.207 -4.756 13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.771 -5.338 13.255 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.588 -6.324 12.755 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.753 -4.757 11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.959 -5.088 10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.360 -2.555 11.561 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.287 -2.817 11.022 1.00 0.00 H new ATOM 442 N THR A 30 -1.671 -5.070 15.958 1.00 0.00 N ATOM 443 CA THR A 30 -1.498 -5.146 17.404 1.00 0.00 C ATOM 444 C THR A 30 -0.326 -6.058 17.795 1.00 0.00 C ATOM 445 O THR A 30 0.134 -6.044 18.937 1.00 0.00 O ATOM 446 CB THR A 30 -2.799 -5.656 18.059 1.00 0.00 C ATOM 447 OG1 THR A 30 -2.717 -5.596 19.485 1.00 0.00 O ATOM 448 CG2 THR A 30 -3.107 -7.084 17.625 1.00 0.00 C ATOM 0 H THR A 30 -2.553 -5.462 15.627 1.00 0.00 H new ATOM 0 HA THR A 30 -1.270 -4.143 17.764 1.00 0.00 H new ATOM 0 HB THR A 30 -3.606 -5.003 17.726 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.784 -5.705 19.764 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.029 -7.418 18.101 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.225 -7.118 16.542 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.288 -7.739 17.921 1.00 0.00 H new ATOM 456 N ASP A 31 0.158 -6.830 16.833 1.00 0.00 N ATOM 457 CA ASP A 31 1.234 -7.788 17.071 1.00 0.00 C ATOM 458 C ASP A 31 2.547 -7.103 17.424 1.00 0.00 C ATOM 459 O ASP A 31 3.330 -7.621 18.220 1.00 0.00 O ATOM 460 CB ASP A 31 1.435 -8.679 15.846 1.00 0.00 C ATOM 461 CG ASP A 31 0.250 -9.582 15.595 1.00 0.00 C ATOM 462 OD1 ASP A 31 0.118 -10.605 16.303 1.00 0.00 O ATOM 463 OD2 ASP A 31 -0.558 -9.273 14.698 1.00 0.00 O ATOM 0 H ASP A 31 -0.180 -6.813 15.871 1.00 0.00 H new ATOM 0 HA ASP A 31 0.935 -8.397 17.924 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.606 -8.055 14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.329 -9.286 15.984 1.00 0.00 H new ATOM 468 N GLY A 32 2.781 -5.939 16.845 1.00 0.00 N ATOM 469 CA GLY A 32 4.038 -5.255 17.076 1.00 0.00 C ATOM 470 C GLY A 32 4.468 -4.404 15.902 1.00 0.00 C ATOM 471 O GLY A 32 5.427 -3.639 16.005 1.00 0.00 O ATOM 0 H GLY A 32 2.131 -5.456 16.224 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.946 -4.625 17.961 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.813 -5.991 17.288 1.00 0.00 H new ATOM 475 N VAL A 33 3.781 -4.549 14.775 1.00 0.00 N ATOM 476 CA VAL A 33 4.036 -3.687 13.632 1.00 0.00 C ATOM 477 C VAL A 33 3.290 -2.383 13.841 1.00 0.00 C ATOM 478 O VAL A 33 2.106 -2.391 14.169 1.00 0.00 O ATOM 479 CB VAL A 33 3.564 -4.323 12.307 1.00 0.00 C ATOM 480 CG1 VAL A 33 4.068 -3.533 11.112 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.000 -5.776 12.219 1.00 0.00 C ATOM 0 H VAL A 33 3.052 -5.247 14.630 1.00 0.00 H new ATOM 0 HA VAL A 33 5.112 -3.527 13.560 1.00 0.00 H new ATOM 0 HB VAL A 33 2.474 -4.295 12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.721 -4.003 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.688 -2.513 11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.158 -3.515 11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.656 -6.203 11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.087 -5.833 12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.570 -6.336 13.049 1.00 0.00 H new ATOM 491 N LYS A 34 3.964 -1.269 13.640 1.00 0.00 N ATOM 492 CA LYS A 34 3.354 0.020 13.883 1.00 0.00 C ATOM 493 C LYS A 34 2.772 0.590 12.605 1.00 0.00 C ATOM 494 O LYS A 34 1.820 1.361 12.644 1.00 0.00 O ATOM 495 CB LYS A 34 4.383 0.973 14.482 1.00 0.00 C ATOM 496 CG LYS A 34 4.895 0.513 15.837 1.00 0.00 C ATOM 497 CD LYS A 34 5.758 1.568 16.505 1.00 0.00 C ATOM 498 CE LYS A 34 6.230 1.104 17.872 1.00 0.00 C ATOM 499 NZ LYS A 34 6.904 2.193 18.621 1.00 0.00 N ATOM 0 H LYS A 34 4.929 -1.231 13.311 1.00 0.00 H new ATOM 0 HA LYS A 34 2.536 -0.106 14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.224 1.070 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.938 1.963 14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.050 0.274 16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.472 -0.404 15.715 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.620 1.789 15.875 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.192 2.494 16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.378 0.741 18.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.916 0.265 17.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.212 1.837 19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.732 2.523 18.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.242 2.983 18.756 1.00 0.00 H new ATOM 513 N SER A 35 3.338 0.162 11.488 1.00 0.00 N ATOM 514 CA SER A 35 2.961 0.624 10.155 1.00 0.00 C ATOM 515 C SER A 35 3.898 -0.007 9.138 1.00 0.00 C ATOM 516 O SER A 35 4.788 -0.783 9.505 1.00 0.00 O ATOM 517 CB SER A 35 3.028 2.155 10.034 1.00 0.00 C ATOM 518 OG SER A 35 1.865 2.776 10.557 1.00 0.00 O ATOM 0 H SER A 35 4.087 -0.530 11.479 1.00 0.00 H new ATOM 0 HA SER A 35 1.929 0.327 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.906 2.523 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.148 2.432 8.987 1.00 0.00 H new ATOM 0 HG SER A 35 1.847 2.669 11.531 1.00 0.00 H new ATOM 524 N ALA A 36 3.712 0.321 7.875 1.00 0.00 N ATOM 525 CA ALA A 36 4.558 -0.213 6.832 1.00 0.00 C ATOM 526 C ALA A 36 5.082 0.895 5.936 1.00 0.00 C ATOM 527 O ALA A 36 4.626 2.036 6.001 1.00 0.00 O ATOM 528 CB ALA A 36 3.799 -1.247 6.014 1.00 0.00 C ATOM 0 H ALA A 36 2.982 0.955 7.548 1.00 0.00 H new ATOM 0 HA ALA A 36 5.413 -0.699 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.449 -1.641 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.479 -2.061 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.925 -0.781 5.559 1.00 0.00 H new ATOM 534 N THR A 37 6.056 0.557 5.121 1.00 0.00 N ATOM 535 CA THR A 37 6.547 1.455 4.104 1.00 0.00 C ATOM 536 C THR A 37 6.305 0.821 2.741 1.00 0.00 C ATOM 537 O THR A 37 6.498 -0.386 2.568 1.00 0.00 O ATOM 538 CB THR A 37 8.048 1.768 4.297 1.00 0.00 C ATOM 539 OG1 THR A 37 8.776 0.560 4.548 1.00 0.00 O ATOM 540 CG2 THR A 37 8.257 2.741 5.451 1.00 0.00 C ATOM 0 H THR A 37 6.528 -0.347 5.146 1.00 0.00 H new ATOM 0 HA THR A 37 6.012 2.402 4.178 1.00 0.00 H new ATOM 0 HB THR A 37 8.418 2.230 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.631 0.776 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.321 2.945 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.729 3.672 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.870 2.303 6.371 1.00 0.00 H new ATOM 548 N VAL A 38 5.849 1.612 1.787 1.00 0.00 N ATOM 549 CA VAL A 38 5.467 1.070 0.495 1.00 0.00 C ATOM 550 C VAL A 38 6.420 1.535 -0.598 1.00 0.00 C ATOM 551 O VAL A 38 6.665 2.728 -0.769 1.00 0.00 O ATOM 552 CB VAL A 38 4.007 1.435 0.124 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.814 2.942 0.026 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.597 0.754 -1.174 1.00 0.00 C ATOM 0 H VAL A 38 5.735 2.621 1.880 1.00 0.00 H new ATOM 0 HA VAL A 38 5.530 -0.015 0.575 1.00 0.00 H new ATOM 0 HB VAL A 38 3.362 1.072 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.779 3.160 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.050 3.402 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.475 3.344 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.569 1.023 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.257 1.078 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.671 -0.327 -1.057 1.00 0.00 H new ATOM 564 N THR A 39 6.982 0.573 -1.307 1.00 0.00 N ATOM 565 CA THR A 39 7.854 0.860 -2.426 1.00 0.00 C ATOM 566 C THR A 39 7.130 0.558 -3.733 1.00 0.00 C ATOM 567 O THR A 39 6.616 -0.547 -3.930 1.00 0.00 O ATOM 568 CB THR A 39 9.155 0.035 -2.337 1.00 0.00 C ATOM 569 OG1 THR A 39 9.813 0.307 -1.091 1.00 0.00 O ATOM 570 CG2 THR A 39 10.094 0.361 -3.491 1.00 0.00 C ATOM 0 H THR A 39 6.847 -0.421 -1.124 1.00 0.00 H new ATOM 0 HA THR A 39 8.120 1.917 -2.396 1.00 0.00 H new ATOM 0 HB THR A 39 8.894 -1.022 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.638 -0.219 -1.035 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.002 -0.236 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.602 0.133 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.351 1.420 -3.463 1.00 0.00 H new ATOM 578 N PHE A 40 7.082 1.536 -4.620 1.00 0.00 N ATOM 579 CA PHE A 40 6.383 1.378 -5.880 1.00 0.00 C ATOM 580 C PHE A 40 7.358 1.084 -7.004 1.00 0.00 C ATOM 581 O PHE A 40 8.251 1.878 -7.300 1.00 0.00 O ATOM 582 CB PHE A 40 5.579 2.635 -6.222 1.00 0.00 C ATOM 583 CG PHE A 40 4.362 2.838 -5.365 1.00 0.00 C ATOM 584 CD1 PHE A 40 3.159 2.238 -5.701 1.00 0.00 C ATOM 585 CD2 PHE A 40 4.417 3.629 -4.228 1.00 0.00 C ATOM 586 CE1 PHE A 40 2.034 2.424 -4.922 1.00 0.00 C ATOM 587 CE2 PHE A 40 3.293 3.818 -3.445 1.00 0.00 C ATOM 588 CZ PHE A 40 2.100 3.214 -3.793 1.00 0.00 C ATOM 0 H PHE A 40 7.520 2.448 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 40 5.698 0.537 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.228 3.506 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.270 2.583 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.100 1.617 -6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.347 4.103 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.103 1.951 -5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.348 4.437 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.221 3.360 -3.183 1.00 0.00 H new ATOM 598 N THR A 41 7.181 -0.077 -7.608 1.00 0.00 N ATOM 599 CA THR A 41 7.948 -0.473 -8.771 1.00 0.00 C ATOM 600 C THR A 41 7.206 0.004 -10.019 1.00 0.00 C ATOM 601 O THR A 41 6.145 0.616 -9.898 1.00 0.00 O ATOM 602 CB THR A 41 8.131 -2.008 -8.790 1.00 0.00 C ATOM 603 OG1 THR A 41 8.225 -2.484 -7.443 1.00 0.00 O ATOM 604 CG2 THR A 41 9.392 -2.419 -9.544 1.00 0.00 C ATOM 0 H THR A 41 6.499 -0.772 -7.304 1.00 0.00 H new ATOM 0 HA THR A 41 8.940 -0.022 -8.742 1.00 0.00 H new ATOM 0 HB THR A 41 7.271 -2.442 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.339 -3.457 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.484 -3.505 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.330 -2.069 -10.575 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.264 -1.977 -9.063 1.00 0.00 H new ATOM 612 N GLU A 42 7.757 -0.263 -11.201 1.00 0.00 N ATOM 613 CA GLU A 42 7.165 0.187 -12.459 1.00 0.00 C ATOM 614 C GLU A 42 5.665 -0.108 -12.518 1.00 0.00 C ATOM 615 O GLU A 42 4.870 0.756 -12.893 1.00 0.00 O ATOM 616 CB GLU A 42 7.869 -0.485 -13.633 1.00 0.00 C ATOM 617 CG GLU A 42 8.292 0.486 -14.720 1.00 0.00 C ATOM 618 CD GLU A 42 9.506 1.311 -14.338 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.452 2.046 -13.331 1.00 0.00 O ATOM 620 OE2 GLU A 42 10.521 1.237 -15.060 1.00 0.00 O ATOM 0 H GLU A 42 8.621 -0.794 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 42 7.296 1.267 -12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.749 -1.013 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.205 -1.234 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.510 -0.070 -15.632 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.461 1.155 -14.945 1.00 0.00 H new ATOM 627 N ASP A 43 5.282 -1.327 -12.151 1.00 0.00 N ATOM 628 CA ASP A 43 3.869 -1.708 -12.108 1.00 0.00 C ATOM 629 C ASP A 43 3.625 -2.737 -11.007 1.00 0.00 C ATOM 630 O ASP A 43 2.673 -3.519 -11.059 1.00 0.00 O ATOM 631 CB ASP A 43 3.409 -2.259 -13.466 1.00 0.00 C ATOM 632 CG ASP A 43 4.038 -3.593 -13.822 1.00 0.00 C ATOM 633 OD1 ASP A 43 5.278 -3.662 -13.941 1.00 0.00 O ATOM 634 OD2 ASP A 43 3.287 -4.571 -14.024 1.00 0.00 O ATOM 0 H ASP A 43 5.927 -2.069 -11.879 1.00 0.00 H new ATOM 0 HA ASP A 43 3.284 -0.815 -11.886 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.325 -2.369 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.649 -1.534 -14.244 1.00 0.00 H new ATOM 639 N GLU A 44 4.468 -2.697 -9.983 1.00 0.00 N ATOM 640 CA GLU A 44 4.397 -3.652 -8.883 1.00 0.00 C ATOM 641 C GLU A 44 4.600 -2.940 -7.548 1.00 0.00 C ATOM 642 O GLU A 44 5.136 -1.834 -7.503 1.00 0.00 O ATOM 643 CB GLU A 44 5.452 -4.745 -9.065 1.00 0.00 C ATOM 644 CG GLU A 44 5.238 -5.586 -10.313 1.00 0.00 C ATOM 645 CD GLU A 44 6.365 -6.561 -10.570 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.422 -6.132 -11.086 1.00 0.00 O ATOM 647 OE2 GLU A 44 6.192 -7.766 -10.294 1.00 0.00 O ATOM 0 H GLU A 44 5.214 -2.008 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 44 3.409 -4.113 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.439 -4.284 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.445 -5.396 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.303 -6.138 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.132 -4.927 -11.175 1.00 0.00 H new ATOM 654 N VAL A 45 4.157 -3.570 -6.471 1.00 0.00 N ATOM 655 CA VAL A 45 4.291 -3.003 -5.136 1.00 0.00 C ATOM 656 C VAL A 45 5.159 -3.899 -4.262 1.00 0.00 C ATOM 657 O VAL A 45 4.950 -5.110 -4.201 1.00 0.00 O ATOM 658 CB VAL A 45 2.912 -2.817 -4.457 1.00 0.00 C ATOM 659 CG1 VAL A 45 3.070 -2.328 -3.024 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.055 -1.848 -5.251 1.00 0.00 C ATOM 0 H VAL A 45 3.698 -4.481 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 45 4.761 -2.026 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 45 2.415 -3.787 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.086 -2.206 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.645 -3.056 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.592 -1.371 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.089 -1.729 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.555 -0.881 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.904 -2.237 -6.258 1.00 0.00 H new ATOM 670 N VAL A 46 6.148 -3.304 -3.612 1.00 0.00 N ATOM 671 CA VAL A 46 6.943 -4.010 -2.618 1.00 0.00 C ATOM 672 C VAL A 46 6.644 -3.440 -1.238 1.00 0.00 C ATOM 673 O VAL A 46 6.774 -2.234 -1.015 1.00 0.00 O ATOM 674 CB VAL A 46 8.460 -3.894 -2.893 1.00 0.00 C ATOM 675 CG1 VAL A 46 9.266 -4.561 -1.788 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.820 -4.496 -4.245 1.00 0.00 C ATOM 0 H VAL A 46 6.420 -2.331 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 46 6.674 -5.065 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 46 8.711 -2.833 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.330 -4.465 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.045 -4.079 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.001 -5.617 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.893 -4.400 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.543 -5.550 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.282 -3.969 -5.033 1.00 0.00 H new ATOM 686 N GLU A 47 6.233 -4.300 -0.323 1.00 0.00 N ATOM 687 CA GLU A 47 5.912 -3.871 1.025 1.00 0.00 C ATOM 688 C GLU A 47 7.037 -4.170 1.983 1.00 0.00 C ATOM 689 O GLU A 47 7.643 -5.241 1.943 1.00 0.00 O ATOM 690 CB GLU A 47 4.639 -4.533 1.535 1.00 0.00 C ATOM 691 CG GLU A 47 3.398 -3.686 1.343 1.00 0.00 C ATOM 692 CD GLU A 47 2.127 -4.416 1.726 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.834 -4.526 2.938 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.418 -4.892 0.818 1.00 0.00 O ATOM 0 H GLU A 47 6.114 -5.299 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 47 5.759 -2.793 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.503 -5.484 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.755 -4.757 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.486 -2.779 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.333 -3.375 0.300 1.00 0.00 H new ATOM 701 N THR A 48 7.302 -3.209 2.830 1.00 0.00 N ATOM 702 CA THR A 48 8.227 -3.378 3.922 1.00 0.00 C ATOM 703 C THR A 48 7.519 -3.066 5.230 1.00 0.00 C ATOM 704 O THR A 48 7.065 -1.945 5.446 1.00 0.00 O ATOM 705 CB THR A 48 9.456 -2.467 3.758 1.00 0.00 C ATOM 706 OG1 THR A 48 9.170 -1.413 2.828 1.00 0.00 O ATOM 707 CG2 THR A 48 10.664 -3.256 3.288 1.00 0.00 C ATOM 0 H THR A 48 6.880 -2.282 2.782 1.00 0.00 H new ATOM 0 HA THR A 48 8.576 -4.411 3.926 1.00 0.00 H new ATOM 0 HB THR A 48 9.687 -2.035 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.993 -0.583 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.517 -2.586 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.900 -4.030 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.444 -3.720 2.326 1.00 0.00 H new ATOM 715 N GLU A 49 7.415 -4.054 6.099 1.00 0.00 N ATOM 716 CA GLU A 49 6.677 -3.887 7.340 1.00 0.00 C ATOM 717 C GLU A 49 7.641 -3.613 8.479 1.00 0.00 C ATOM 718 O GLU A 49 8.661 -4.291 8.607 1.00 0.00 O ATOM 719 CB GLU A 49 5.836 -5.131 7.628 1.00 0.00 C ATOM 720 CG GLU A 49 4.946 -5.531 6.460 1.00 0.00 C ATOM 721 CD GLU A 49 4.004 -6.672 6.788 1.00 0.00 C ATOM 722 OE1 GLU A 49 4.464 -7.827 6.877 1.00 0.00 O ATOM 723 OE2 GLU A 49 2.794 -6.411 6.958 1.00 0.00 O ATOM 0 H GLU A 49 7.830 -4.977 5.971 1.00 0.00 H new ATOM 0 HA GLU A 49 6.002 -3.036 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.498 -5.961 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.215 -4.948 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.362 -4.666 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.573 -5.818 5.616 1.00 0.00 H new ATOM 730 N VAL A 50 7.324 -2.611 9.292 1.00 0.00 N ATOM 731 CA VAL A 50 8.221 -2.187 10.357 1.00 0.00 C ATOM 732 C VAL A 50 7.831 -2.825 11.679 1.00 0.00 C ATOM 733 O VAL A 50 6.777 -2.523 12.240 1.00 0.00 O ATOM 734 CB VAL A 50 8.212 -0.650 10.522 1.00 0.00 C ATOM 735 CG1 VAL A 50 9.254 -0.206 11.540 1.00 0.00 C ATOM 736 CG2 VAL A 50 8.431 0.041 9.181 1.00 0.00 C ATOM 0 H VAL A 50 6.455 -2.080 9.233 1.00 0.00 H new ATOM 0 HA VAL A 50 9.224 -2.510 10.077 1.00 0.00 H new ATOM 0 HB VAL A 50 7.231 -0.357 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.228 0.879 11.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.037 -0.663 12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.244 -0.516 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.421 1.122 9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.393 -0.262 8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.636 -0.242 8.492 1.00 0.00 H new ATOM 746 N MET A 51 8.697 -3.690 12.182 1.00 0.00 N ATOM 747 CA MET A 51 8.428 -4.385 13.431 1.00 0.00 C ATOM 748 C MET A 51 9.649 -4.350 14.340 1.00 0.00 C ATOM 749 O MET A 51 10.781 -4.469 13.871 1.00 0.00 O ATOM 750 CB MET A 51 8.042 -5.831 13.140 1.00 0.00 C ATOM 751 CG MET A 51 7.449 -6.559 14.337 1.00 0.00 C ATOM 752 SD MET A 51 7.056 -8.280 13.978 1.00 0.00 S ATOM 753 CE MET A 51 6.386 -8.811 15.550 1.00 0.00 C ATOM 0 H MET A 51 9.589 -3.927 11.747 1.00 0.00 H new ATOM 0 HA MET A 51 7.605 -3.883 13.939 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.321 -5.848 12.322 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.925 -6.372 12.798 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.153 -6.517 15.168 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.544 -6.043 14.659 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.096 -9.860 15.486 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.141 -8.690 16.327 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.512 -8.207 15.796 1.00 0.00 H new ATOM 763 N GLU A 52 9.415 -4.193 15.638 1.00 0.00 N ATOM 764 CA GLU A 52 10.497 -4.160 16.613 1.00 0.00 C ATOM 765 C GLU A 52 11.166 -5.529 16.704 1.00 0.00 C ATOM 766 O GLU A 52 10.490 -6.556 16.796 1.00 0.00 O ATOM 767 CB GLU A 52 9.963 -3.737 17.986 1.00 0.00 C ATOM 768 CG GLU A 52 11.029 -3.674 19.070 1.00 0.00 C ATOM 769 CD GLU A 52 12.133 -2.687 18.749 1.00 0.00 C ATOM 770 OE1 GLU A 52 13.076 -3.059 18.022 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.068 -1.537 19.233 1.00 0.00 O ATOM 0 H GLU A 52 8.483 -4.086 16.039 1.00 0.00 H new ATOM 0 HA GLU A 52 11.238 -3.430 16.288 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.492 -2.758 17.896 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.186 -4.437 18.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.563 -3.397 20.016 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.462 -4.665 19.206 1.00 0.00 H new ATOM 778 N GLY A 53 12.491 -5.530 16.665 1.00 0.00 N ATOM 779 CA GLY A 53 13.243 -6.768 16.713 1.00 0.00 C ATOM 780 C GLY A 53 13.506 -7.334 15.333 1.00 0.00 C ATOM 781 O GLY A 53 14.346 -8.216 15.165 1.00 0.00 O ATOM 0 H GLY A 53 13.063 -4.688 16.600 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.193 -6.594 17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.695 -7.501 17.306 1.00 0.00 H new ATOM 785 N ARG A 54 12.788 -6.822 14.343 1.00 0.00 N ATOM 786 CA ARG A 54 12.916 -7.290 12.974 1.00 0.00 C ATOM 787 C ARG A 54 13.480 -6.187 12.093 1.00 0.00 C ATOM 788 O ARG A 54 14.513 -6.345 11.439 1.00 0.00 O ATOM 789 CB ARG A 54 11.544 -7.686 12.439 1.00 0.00 C ATOM 790 CG ARG A 54 10.726 -8.537 13.391 1.00 0.00 C ATOM 791 CD ARG A 54 10.806 -10.019 13.057 1.00 0.00 C ATOM 792 NE ARG A 54 12.137 -10.577 13.289 1.00 0.00 N ATOM 793 CZ ARG A 54 12.355 -11.798 13.778 1.00 0.00 C ATOM 794 NH1 ARG A 54 11.337 -12.603 14.060 1.00 0.00 N ATOM 795 NH2 ARG A 54 13.595 -12.221 13.978 1.00 0.00 N ATOM 0 H ARG A 54 12.105 -6.075 14.467 1.00 0.00 H new ATOM 0 HA ARG A 54 13.588 -8.148 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.983 -6.781 12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.675 -8.231 11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.077 -8.377 14.410 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.685 -8.216 13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.078 -10.563 13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.531 -10.168 12.013 1.00 0.00 H new ATOM 0 HE ARG A 54 12.946 -9.998 13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.379 -12.289 13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.513 -13.536 14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.383 -11.612 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.761 -13.155 14.352 1.00 0.00 H new ATOM 809 N GLY A 55 12.783 -5.064 12.097 1.00 0.00 N ATOM 810 CA GLY A 55 13.127 -3.962 11.228 1.00 0.00 C ATOM 811 C GLY A 55 12.137 -3.858 10.096 1.00 0.00 C ATOM 812 O GLY A 55 10.947 -4.102 10.299 1.00 0.00 O ATOM 0 H GLY A 55 11.974 -4.895 12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.138 -3.032 11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.131 -4.104 10.829 1.00 0.00 H new ATOM 816 N GLU A 56 12.607 -3.499 8.913 1.00 0.00 N ATOM 817 CA GLU A 56 11.765 -3.506 7.737 1.00 0.00 C ATOM 818 C GLU A 56 11.949 -4.794 6.963 1.00 0.00 C ATOM 819 O GLU A 56 13.027 -5.082 6.441 1.00 0.00 O ATOM 820 CB GLU A 56 12.071 -2.313 6.848 1.00 0.00 C ATOM 821 CG GLU A 56 11.734 -0.989 7.496 1.00 0.00 C ATOM 822 CD GLU A 56 11.899 0.173 6.547 1.00 0.00 C ATOM 823 OE1 GLU A 56 13.042 0.460 6.145 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.887 0.810 6.193 1.00 0.00 O ATOM 0 H GLU A 56 13.568 -3.200 8.745 1.00 0.00 H new ATOM 0 HA GLU A 56 10.727 -3.437 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.129 -2.324 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.512 -2.408 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.706 -1.016 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.375 -0.839 8.365 1.00 0.00 H new ATOM 831 N VAL A 57 10.885 -5.557 6.900 1.00 0.00 N ATOM 832 CA VAL A 57 10.895 -6.834 6.208 1.00 0.00 C ATOM 833 C VAL A 57 10.169 -6.717 4.871 1.00 0.00 C ATOM 834 O VAL A 57 9.029 -6.253 4.817 1.00 0.00 O ATOM 835 CB VAL A 57 10.219 -7.916 7.070 1.00 0.00 C ATOM 836 CG1 VAL A 57 10.080 -9.226 6.305 1.00 0.00 C ATOM 837 CG2 VAL A 57 10.999 -8.130 8.358 1.00 0.00 C ATOM 0 H VAL A 57 9.989 -5.317 7.323 1.00 0.00 H new ATOM 0 HA VAL A 57 11.932 -7.119 6.028 1.00 0.00 H new ATOM 0 HB VAL A 57 9.217 -7.569 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.599 -9.969 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.474 -9.064 5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.067 -9.583 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.509 -8.898 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.014 -8.448 8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.034 -7.198 8.921 1.00 0.00 H new ATOM 847 N GLN A 58 10.838 -7.126 3.794 1.00 0.00 N ATOM 848 CA GLN A 58 10.278 -7.025 2.463 1.00 0.00 C ATOM 849 C GLN A 58 9.376 -8.214 2.163 1.00 0.00 C ATOM 850 O GLN A 58 9.762 -9.367 2.373 1.00 0.00 O ATOM 851 CB GLN A 58 11.385 -6.963 1.415 1.00 0.00 C ATOM 852 CG GLN A 58 12.366 -5.819 1.602 1.00 0.00 C ATOM 853 CD GLN A 58 13.195 -5.561 0.359 1.00 0.00 C ATOM 854 OE1 GLN A 58 12.843 -4.733 -0.476 1.00 0.00 O ATOM 855 NE2 GLN A 58 14.288 -6.287 0.217 1.00 0.00 N ATOM 0 H GLN A 58 11.773 -7.532 3.826 1.00 0.00 H new ATOM 0 HA GLN A 58 9.690 -6.108 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.936 -7.903 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.930 -6.877 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.819 -4.914 1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.029 -6.045 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.547 -6.965 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.874 -6.170 -0.610 1.00 0.00 H new ATOM 864 N LEU A 59 8.183 -7.925 1.680 1.00 0.00 N ATOM 865 CA LEU A 59 7.257 -8.955 1.248 1.00 0.00 C ATOM 866 C LEU A 59 7.415 -9.195 -0.249 1.00 0.00 C ATOM 867 O LEU A 59 7.955 -8.345 -0.962 1.00 0.00 O ATOM 868 CB LEU A 59 5.820 -8.547 1.580 1.00 0.00 C ATOM 869 CG LEU A 59 5.511 -8.453 3.073 1.00 0.00 C ATOM 870 CD1 LEU A 59 4.085 -7.977 3.288 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.725 -9.799 3.748 1.00 0.00 C ATOM 0 H LEU A 59 7.829 -6.974 1.576 1.00 0.00 H new ATOM 0 HA LEU A 59 7.480 -9.882 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.616 -7.581 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.139 -9.267 1.127 1.00 0.00 H new ATOM 0 HG LEU A 59 6.192 -7.729 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.879 -7.915 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.958 -6.993 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.393 -8.681 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.500 -9.713 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.066 -10.541 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.762 -10.109 3.621 1.00 0.00 H new ATOM 883 N PRO A 60 6.958 -10.356 -0.744 1.00 0.00 N ATOM 884 CA PRO A 60 7.074 -10.708 -2.159 1.00 0.00 C ATOM 885 C PRO A 60 6.311 -9.727 -3.045 1.00 0.00 C ATOM 886 O PRO A 60 5.100 -9.544 -2.882 1.00 0.00 O ATOM 887 CB PRO A 60 6.465 -12.113 -2.246 1.00 0.00 C ATOM 888 CG PRO A 60 5.638 -12.265 -1.015 1.00 0.00 C ATOM 889 CD PRO A 60 6.278 -11.404 0.037 1.00 0.00 C ATOM 0 HA PRO A 60 8.106 -10.673 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.856 -12.222 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.242 -12.876 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.609 -11.954 -1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.604 -13.307 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.537 -10.982 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.982 -11.971 0.646 1.00 0.00 H new ATOM 897 N PHE A 61 7.038 -9.101 -3.968 1.00 0.00 N ATOM 898 CA PHE A 61 6.490 -8.071 -4.851 1.00 0.00 C ATOM 899 C PHE A 61 5.145 -8.480 -5.451 1.00 0.00 C ATOM 900 O PHE A 61 4.992 -9.572 -6.001 1.00 0.00 O ATOM 901 CB PHE A 61 7.495 -7.734 -5.964 1.00 0.00 C ATOM 902 CG PHE A 61 8.056 -8.936 -6.676 1.00 0.00 C ATOM 903 CD1 PHE A 61 9.165 -9.603 -6.173 1.00 0.00 C ATOM 904 CD2 PHE A 61 7.481 -9.398 -7.848 1.00 0.00 C ATOM 905 CE1 PHE A 61 9.684 -10.703 -6.825 1.00 0.00 C ATOM 906 CE2 PHE A 61 7.997 -10.497 -8.505 1.00 0.00 C ATOM 907 CZ PHE A 61 9.099 -11.150 -7.992 1.00 0.00 C ATOM 0 H PHE A 61 8.027 -9.294 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 61 6.315 -7.182 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.008 -7.088 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.318 -7.164 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.627 -9.257 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.617 -8.892 -8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.547 -11.213 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.539 -10.845 -9.419 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.504 -12.011 -8.504 1.00 0.00 H new ATOM 917 N MET A 62 4.173 -7.592 -5.316 1.00 0.00 N ATOM 918 CA MET A 62 2.824 -7.833 -5.808 1.00 0.00 C ATOM 919 C MET A 62 2.521 -6.933 -6.994 1.00 0.00 C ATOM 920 O MET A 62 2.727 -5.725 -6.929 1.00 0.00 O ATOM 921 CB MET A 62 1.810 -7.586 -4.690 1.00 0.00 C ATOM 922 CG MET A 62 1.788 -8.678 -3.630 1.00 0.00 C ATOM 923 SD MET A 62 1.182 -10.258 -4.263 1.00 0.00 S ATOM 924 CE MET A 62 -0.522 -9.835 -4.614 1.00 0.00 C ATOM 0 H MET A 62 4.295 -6.686 -4.864 1.00 0.00 H new ATOM 0 HA MET A 62 2.752 -8.871 -6.133 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.035 -6.633 -4.212 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.816 -7.496 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.794 -8.813 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.158 -8.359 -2.800 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.116 -10.746 -4.686 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.914 -9.209 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.575 -9.292 -5.557 1.00 0.00 H new ATOM 934 N ALA A 63 2.033 -7.519 -8.073 1.00 0.00 N ATOM 935 CA ALA A 63 1.714 -6.755 -9.269 1.00 0.00 C ATOM 936 C ALA A 63 0.352 -6.087 -9.133 1.00 0.00 C ATOM 937 O ALA A 63 -0.540 -6.607 -8.462 1.00 0.00 O ATOM 938 CB ALA A 63 1.741 -7.655 -10.495 1.00 0.00 C ATOM 0 H ALA A 63 1.849 -8.519 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 63 2.468 -5.977 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.500 -7.069 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.735 -8.089 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.007 -8.453 -10.377 1.00 0.00 H new ATOM 944 N TYR A 64 0.198 -4.931 -9.754 1.00 0.00 N ATOM 945 CA TYR A 64 -1.076 -4.230 -9.748 1.00 0.00 C ATOM 946 C TYR A 64 -1.293 -3.534 -11.085 1.00 0.00 C ATOM 947 O TYR A 64 -0.360 -3.383 -11.873 1.00 0.00 O ATOM 948 CB TYR A 64 -1.137 -3.213 -8.600 1.00 0.00 C ATOM 949 CG TYR A 64 -0.266 -1.986 -8.791 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.099 -2.027 -8.539 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.817 -0.783 -9.215 1.00 0.00 C ATOM 952 CE1 TYR A 64 1.888 -0.906 -8.707 1.00 0.00 C ATOM 953 CE2 TYR A 64 -0.032 0.342 -9.386 1.00 0.00 C ATOM 954 CZ TYR A 64 1.320 0.274 -9.128 1.00 0.00 C ATOM 955 OH TYR A 64 2.105 1.390 -9.294 1.00 0.00 O ATOM 0 H TYR A 64 0.939 -4.457 -10.270 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.871 -4.960 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.171 -2.891 -8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.842 -3.711 -7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.551 -2.950 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.877 -0.726 -9.414 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.948 -0.956 -8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.476 1.268 -9.720 1.00 0.00 H new ATOM 0 HH TYR A 64 1.550 2.139 -9.597 1.00 0.00 H new ATOM 965 N LYS A 65 -2.522 -3.122 -11.339 1.00 0.00 N ATOM 966 CA LYS A 65 -2.844 -2.408 -12.562 1.00 0.00 C ATOM 967 C LYS A 65 -3.466 -1.065 -12.230 1.00 0.00 C ATOM 968 O LYS A 65 -4.032 -0.871 -11.153 1.00 0.00 O ATOM 969 CB LYS A 65 -3.793 -3.227 -13.443 1.00 0.00 C ATOM 970 CG LYS A 65 -5.177 -3.418 -12.845 1.00 0.00 C ATOM 971 CD LYS A 65 -6.083 -4.258 -13.739 1.00 0.00 C ATOM 972 CE LYS A 65 -6.578 -3.485 -14.961 1.00 0.00 C ATOM 973 NZ LYS A 65 -5.514 -3.282 -15.984 1.00 0.00 N ATOM 0 H LYS A 65 -3.315 -3.270 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.920 -2.247 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.891 -2.735 -14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.349 -4.205 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.086 -3.898 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.636 -2.444 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.542 -5.145 -14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.939 -4.604 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.412 -4.023 -15.412 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.959 -2.515 -14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.910 -3.441 -16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.151 -2.310 -15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.738 -3.953 -15.816 1.00 0.00 H new ATOM 987 N VAL A 66 -3.345 -0.147 -13.159 1.00 0.00 N ATOM 988 CA VAL A 66 -3.901 1.178 -13.004 1.00 0.00 C ATOM 989 C VAL A 66 -5.194 1.288 -13.796 1.00 0.00 C ATOM 990 O VAL A 66 -5.181 1.230 -15.026 1.00 0.00 O ATOM 991 CB VAL A 66 -2.903 2.244 -13.490 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.507 3.636 -13.427 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.620 2.190 -12.678 1.00 0.00 C ATOM 0 H VAL A 66 -2.859 -0.296 -14.043 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.106 1.348 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.667 2.024 -14.531 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.777 4.366 -13.777 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.393 3.677 -14.060 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.785 3.866 -12.398 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.929 2.952 -13.039 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.846 2.373 -11.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.163 1.206 -12.785 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.305 1.429 -13.088 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.607 1.526 -13.725 1.00 0.00 C ATOM 1005 C ILE A 67 -7.759 2.893 -14.370 1.00 0.00 C ATOM 1006 O ILE A 67 -8.085 3.013 -15.552 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.757 1.328 -12.719 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.479 0.142 -11.791 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.068 1.122 -13.466 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.598 -0.128 -10.803 1.00 0.00 C ATOM 0 H ILE A 67 -6.329 1.479 -12.069 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.663 0.735 -14.473 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.834 2.224 -12.103 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.315 -0.751 -12.394 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.557 0.329 -11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.877 0.983 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.276 1.996 -14.083 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.990 0.240 -14.101 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.334 -0.981 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.748 0.750 -10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.518 -0.347 -11.346 1.00 0.00 H new ATOM 1022 N SER A 68 -7.503 3.924 -13.584 1.00 0.00 N ATOM 1023 CA SER A 68 -7.603 5.289 -14.058 1.00 0.00 C ATOM 1024 C SER A 68 -6.445 6.102 -13.508 1.00 0.00 C ATOM 1025 O SER A 68 -5.988 5.864 -12.392 1.00 0.00 O ATOM 1026 CB SER A 68 -8.919 5.914 -13.610 1.00 0.00 C ATOM 1027 OG SER A 68 -9.947 4.936 -13.512 1.00 0.00 O ATOM 0 H SER A 68 -7.222 3.838 -12.607 1.00 0.00 H new ATOM 0 HA SER A 68 -7.568 5.285 -15.147 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.783 6.400 -12.644 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.216 6.688 -14.318 1.00 0.00 H new ATOM 0 HG SER A 68 -10.779 5.364 -13.221 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.977 7.052 -14.286 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.862 7.887 -13.873 1.00 0.00 C ATOM 1035 C GLN A 69 -4.974 9.275 -14.474 1.00 0.00 C ATOM 1036 O GLN A 69 -5.321 9.439 -15.647 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.520 7.256 -14.262 1.00 0.00 C ATOM 1038 CG GLN A 69 -2.313 8.089 -13.845 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.982 7.449 -14.200 1.00 0.00 C ATOM 1040 OE1 GLN A 69 0.017 7.655 -13.513 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -0.949 6.687 -15.282 1.00 0.00 N ATOM 0 H GLN A 69 -6.349 7.269 -15.211 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.902 7.970 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.446 6.269 -13.805 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.495 7.110 -15.342 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.375 9.067 -14.321 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.351 8.256 -12.768 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.798 6.539 -15.827 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.075 6.248 -15.570 1.00 0.00 H new ATOM 1050 N SER A 70 -4.702 10.263 -13.651 1.00 0.00 N ATOM 1051 CA SER A 70 -4.590 11.627 -14.103 1.00 0.00 C ATOM 1052 C SER A 70 -3.124 12.027 -14.075 1.00 0.00 C ATOM 1053 O SER A 70 -2.364 11.515 -13.249 1.00 0.00 O ATOM 1054 CB SER A 70 -5.400 12.549 -13.189 1.00 0.00 C ATOM 1055 OG SER A 70 -5.420 13.876 -13.684 1.00 0.00 O ATOM 0 H SER A 70 -4.553 10.141 -12.649 1.00 0.00 H new ATOM 0 HA SER A 70 -4.980 11.715 -15.117 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.420 12.175 -13.104 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.972 12.539 -12.187 1.00 0.00 H new ATOM 0 HG SER A 70 -5.946 14.442 -13.081 1.00 0.00 H new ATOM 1061 N THR A 71 -2.719 12.912 -14.974 1.00 0.00 N ATOM 1062 CA THR A 71 -1.375 13.461 -14.927 1.00 0.00 C ATOM 1063 C THR A 71 -1.173 14.209 -13.619 1.00 0.00 C ATOM 1064 O THR A 71 -0.080 14.218 -13.049 1.00 0.00 O ATOM 1065 CB THR A 71 -1.109 14.400 -16.119 1.00 0.00 C ATOM 1066 OG1 THR A 71 -2.218 15.294 -16.300 1.00 0.00 O ATOM 1067 CG2 THR A 71 -0.882 13.600 -17.392 1.00 0.00 C ATOM 0 H THR A 71 -3.297 13.262 -15.738 1.00 0.00 H new ATOM 0 HA THR A 71 -0.667 12.634 -14.989 1.00 0.00 H new ATOM 0 HB THR A 71 -0.211 14.979 -15.905 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.039 15.888 -17.059 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.696 14.282 -18.222 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.021 12.944 -17.261 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.766 13.000 -17.607 1.00 0.00 H new ATOM 1075 N ASP A 72 -2.254 14.808 -13.140 1.00 0.00 N ATOM 1076 CA ASP A 72 -2.256 15.482 -11.856 1.00 0.00 C ATOM 1077 C ASP A 72 -3.671 15.588 -11.303 1.00 0.00 C ATOM 1078 O ASP A 72 -4.413 16.520 -11.615 1.00 0.00 O ATOM 1079 CB ASP A 72 -1.620 16.866 -11.961 1.00 0.00 C ATOM 1080 CG ASP A 72 -1.588 17.578 -10.628 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -1.405 16.903 -9.594 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -1.758 18.813 -10.605 1.00 0.00 O ATOM 0 H ASP A 72 -3.148 14.839 -13.630 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.659 14.885 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.604 16.770 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.177 17.467 -12.680 1.00 0.00 H new ATOM 1087 N GLY A 73 -4.056 14.588 -10.526 1.00 0.00 N ATOM 1088 CA GLY A 73 -5.335 14.609 -9.848 1.00 0.00 C ATOM 1089 C GLY A 73 -5.447 13.476 -8.857 1.00 0.00 C ATOM 1090 O GLY A 73 -5.016 13.593 -7.709 1.00 0.00 O ATOM 0 H GLY A 73 -3.498 13.752 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.460 15.561 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.139 14.536 -10.580 1.00 0.00 H new ATOM 1094 N SER A 74 -6.035 12.380 -9.295 1.00 0.00 N ATOM 1095 CA SER A 74 -6.100 11.180 -8.502 1.00 0.00 C ATOM 1096 C SER A 74 -5.791 9.970 -9.368 1.00 0.00 C ATOM 1097 O SER A 74 -5.910 10.025 -10.593 1.00 0.00 O ATOM 1098 CB SER A 74 -7.480 11.044 -7.876 1.00 0.00 C ATOM 1099 OG SER A 74 -7.755 12.135 -7.013 1.00 0.00 O ATOM 0 H SER A 74 -6.479 12.302 -10.210 1.00 0.00 H new ATOM 0 HA SER A 74 -5.359 11.239 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.236 10.996 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.540 10.110 -7.318 1.00 0.00 H new ATOM 0 HG SER A 74 -8.602 12.554 -7.275 1.00 0.00 H new ATOM 1105 N ILE A 75 -5.372 8.893 -8.734 1.00 0.00 N ATOM 1106 CA ILE A 75 -5.077 7.659 -9.441 1.00 0.00 C ATOM 1107 C ILE A 75 -5.911 6.525 -8.871 1.00 0.00 C ATOM 1108 O ILE A 75 -5.992 6.361 -7.654 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.583 7.281 -9.332 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.697 8.482 -9.672 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -3.263 6.105 -10.246 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -1.216 8.175 -9.638 1.00 0.00 C ATOM 0 H ILE A 75 -5.227 8.846 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.319 7.819 -10.492 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.378 6.984 -8.303 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.961 8.847 -10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.908 9.288 -8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.207 5.852 -10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.868 5.245 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.485 6.375 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.652 9.073 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.937 7.839 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.990 7.391 -10.361 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.529 5.750 -9.745 1.00 0.00 N ATOM 1125 CA GLU A 76 -7.304 4.601 -9.322 1.00 0.00 C ATOM 1126 C GLU A 76 -6.574 3.340 -9.740 1.00 0.00 C ATOM 1127 O GLU A 76 -6.349 3.106 -10.925 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.700 4.614 -9.941 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.652 3.610 -9.305 1.00 0.00 C ATOM 1130 CD GLU A 76 -11.052 3.668 -9.883 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -11.233 3.287 -11.059 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.980 4.089 -9.161 1.00 0.00 O ATOM 0 H GLU A 76 -6.508 5.898 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.418 4.635 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.122 5.614 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.619 4.402 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.252 2.605 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.701 3.794 -8.232 1.00 0.00 H new ATOM 1139 N ILE A 77 -6.210 2.542 -8.766 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.406 1.360 -9.005 1.00 0.00 C ATOM 1141 C ILE A 77 -6.072 0.131 -8.424 1.00 0.00 C ATOM 1142 O ILE A 77 -6.912 0.232 -7.533 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.986 1.493 -8.406 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -4.060 1.801 -6.906 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -3.196 2.568 -9.132 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.707 1.850 -6.221 1.00 0.00 C ATOM 0 H ILE A 77 -6.459 2.689 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.317 1.256 -10.086 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.470 0.542 -8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.562 2.758 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.675 1.044 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.200 2.645 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.110 2.307 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.710 3.525 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.843 2.073 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.210 0.886 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.095 2.627 -6.680 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.699 -1.023 -8.940 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.255 -2.279 -8.486 1.00 0.00 C ATOM 1160 C GLN A 78 -5.137 -3.297 -8.321 1.00 0.00 C ATOM 1161 O GLN A 78 -4.338 -3.500 -9.235 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.300 -2.758 -9.493 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.141 -3.927 -9.020 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.391 -4.101 -9.860 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.409 -3.775 -11.048 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.452 -4.599 -9.246 1.00 0.00 N ATOM 0 H GLN A 78 -5.005 -1.115 -9.682 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.742 -2.151 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.961 -1.926 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.794 -3.041 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.547 -4.840 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.422 -3.774 -7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.397 -4.857 -8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.325 -4.725 -9.758 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.072 -3.920 -7.153 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.008 -4.866 -6.857 1.00 0.00 C ATOM 1177 C TYR A 79 -4.377 -6.238 -7.379 1.00 0.00 C ATOM 1178 O TYR A 79 -5.459 -6.734 -7.110 1.00 0.00 O ATOM 1179 CB TYR A 79 -3.746 -4.931 -5.352 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.360 -3.602 -4.747 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -2.149 -3.002 -5.064 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -4.210 -2.941 -3.869 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -1.792 -1.786 -4.519 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -3.860 -1.723 -3.319 1.00 0.00 C ATOM 1185 CZ TYR A 79 -2.651 -1.151 -3.649 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.296 0.062 -3.108 1.00 0.00 O ATOM 0 H TYR A 79 -5.743 -3.787 -6.396 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.097 -4.528 -7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.640 -5.302 -4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.951 -5.652 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.475 -3.495 -5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.160 -3.387 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.844 -1.334 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.530 -1.223 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.303 -0.001 -2.130 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.473 -6.844 -8.124 1.00 0.00 N ATOM 1197 CA LEU A 80 -3.745 -8.125 -8.750 1.00 0.00 C ATOM 1198 C LEU A 80 -3.424 -9.266 -7.795 1.00 0.00 C ATOM 1199 O LEU A 80 -2.709 -9.083 -6.806 1.00 0.00 O ATOM 1200 CB LEU A 80 -2.947 -8.245 -10.048 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.316 -7.204 -11.111 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.288 -7.192 -12.226 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.704 -7.485 -11.673 1.00 0.00 C ATOM 0 H LEU A 80 -2.543 -6.470 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.806 -8.188 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.885 -8.153 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.098 -9.241 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.325 -6.221 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.568 -6.447 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.309 -6.945 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.248 -8.175 -12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.950 -6.736 -12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.719 -8.476 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.438 -7.444 -10.868 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.953 -10.442 -8.084 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.823 -11.542 -7.160 1.00 0.00 C ATOM 1217 C GLY A 81 -5.152 -11.890 -6.524 1.00 0.00 C ATOM 1218 O GLY A 81 -6.202 -11.674 -7.129 1.00 0.00 O ATOM 0 H GLY A 81 -4.468 -10.653 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.429 -12.414 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.103 -11.284 -6.384 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.142 -12.442 -5.303 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.370 -12.810 -4.586 1.00 0.00 C ATOM 1224 C PRO A 82 -7.255 -11.602 -4.285 1.00 0.00 C ATOM 1225 O PRO A 82 -8.450 -11.740 -4.023 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.861 -13.424 -3.275 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.428 -13.754 -3.519 1.00 0.00 C ATOM 1228 CD PRO A 82 -3.934 -12.755 -4.522 1.00 0.00 C ATOM 0 HA PRO A 82 -6.989 -13.484 -5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.967 -12.723 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.430 -14.316 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.852 -13.696 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.322 -14.771 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.525 -11.868 -4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.145 -13.170 -5.149 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.665 -10.416 -4.340 1.00 0.00 N ATOM 1237 CA TYR A 83 -7.361 -9.193 -3.973 1.00 0.00 C ATOM 1238 C TYR A 83 -7.596 -8.323 -5.203 1.00 0.00 C ATOM 1239 O TYR A 83 -7.675 -7.100 -5.094 1.00 0.00 O ATOM 1240 CB TYR A 83 -6.533 -8.404 -2.949 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.959 -9.243 -1.832 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -6.747 -9.656 -0.769 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -4.619 -9.607 -1.838 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -6.217 -10.418 0.255 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -4.082 -10.369 -0.822 1.00 0.00 C ATOM 1246 CZ TYR A 83 -4.882 -10.771 0.224 1.00 0.00 C ATOM 1247 OH TYR A 83 -4.343 -11.525 1.242 1.00 0.00 O ATOM 0 H TYR A 83 -5.699 -10.276 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.322 -9.464 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.716 -7.904 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.160 -7.624 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.790 -9.378 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.986 -9.288 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.844 -10.736 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.039 -10.649 -0.847 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.393 -11.685 1.063 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.778 -8.950 -6.365 1.00 0.00 N ATOM 1258 CA TYR A 84 -7.793 -8.216 -7.613 1.00 0.00 C ATOM 1259 C TYR A 84 -9.186 -7.737 -8.034 1.00 0.00 C ATOM 1260 O TYR A 84 -9.299 -7.109 -9.079 1.00 0.00 O ATOM 1261 CB TYR A 84 -7.120 -9.026 -8.737 1.00 0.00 C ATOM 1262 CG TYR A 84 -8.027 -9.933 -9.547 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -8.531 -11.115 -9.024 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -8.341 -9.612 -10.860 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -9.323 -11.952 -9.791 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -9.137 -10.437 -11.628 1.00 0.00 C ATOM 1267 CZ TYR A 84 -9.624 -11.607 -11.092 1.00 0.00 C ATOM 1268 OH TYR A 84 -10.398 -12.441 -11.867 1.00 0.00 O ATOM 0 H TYR A 84 -7.915 -9.956 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.212 -7.311 -7.434 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.636 -8.327 -9.420 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.332 -9.636 -8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.302 -11.386 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.955 -8.699 -11.289 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.704 -12.872 -9.372 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.377 -10.166 -12.645 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.514 -12.046 -12.756 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.291 -8.014 -7.293 1.00 0.00 N ATOM 1279 CA PRO A 85 -11.518 -7.309 -7.566 1.00 0.00 C ATOM 1280 C PRO A 85 -11.676 -6.043 -6.717 1.00 0.00 C ATOM 1281 O PRO A 85 -12.638 -5.291 -6.880 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.595 -8.330 -7.246 1.00 0.00 C ATOM 1283 CG PRO A 85 -12.009 -9.184 -6.168 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.505 -9.070 -6.278 1.00 0.00 C ATOM 0 HA PRO A 85 -11.560 -6.948 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.512 -7.845 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.851 -8.923 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.350 -8.853 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.326 -10.221 -6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.056 -8.800 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.056 -10.014 -6.586 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.727 -5.811 -5.819 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.786 -4.673 -4.911 1.00 0.00 C ATOM 1294 C LEU A 86 -9.767 -3.610 -5.329 1.00 0.00 C ATOM 1295 O LEU A 86 -8.616 -3.929 -5.630 1.00 0.00 O ATOM 1296 CB LEU A 86 -10.529 -5.150 -3.480 1.00 0.00 C ATOM 1297 CG LEU A 86 -10.774 -4.118 -2.377 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -12.188 -3.561 -2.458 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -10.535 -4.751 -1.016 1.00 0.00 C ATOM 0 H LEU A 86 -9.903 -6.400 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.777 -4.221 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.162 -6.016 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.495 -5.489 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.077 -3.292 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.337 -2.830 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.335 -3.081 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.906 -4.373 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.711 -4.011 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.216 -5.591 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.506 -5.105 -0.955 1.00 0.00 H new ATOM 1311 N LYS A 87 -10.191 -2.349 -5.356 1.00 0.00 N ATOM 1312 CA LYS A 87 -9.339 -1.277 -5.862 1.00 0.00 C ATOM 1313 C LYS A 87 -8.941 -0.291 -4.763 1.00 0.00 C ATOM 1314 O LYS A 87 -9.401 -0.384 -3.624 1.00 0.00 O ATOM 1315 CB LYS A 87 -10.030 -0.544 -7.023 1.00 0.00 C ATOM 1316 CG LYS A 87 -11.344 0.134 -6.659 1.00 0.00 C ATOM 1317 CD LYS A 87 -12.050 0.645 -7.908 1.00 0.00 C ATOM 1318 CE LYS A 87 -13.362 1.344 -7.588 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.162 2.730 -7.088 1.00 0.00 N ATOM 0 H LYS A 87 -11.111 -2.046 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.422 -1.737 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.347 0.208 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.216 -1.258 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.989 -0.570 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.155 0.963 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.393 1.336 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.242 -0.191 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.984 1.370 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.905 0.766 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.079 3.219 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.742 2.699 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.525 3.243 -7.731 1.00 0.00 H new ATOM 1333 N SER A 88 -8.070 0.643 -5.126 1.00 0.00 N ATOM 1334 CA SER A 88 -7.561 1.656 -4.211 1.00 0.00 C ATOM 1335 C SER A 88 -7.381 2.980 -4.962 1.00 0.00 C ATOM 1336 O SER A 88 -7.421 3.009 -6.194 1.00 0.00 O ATOM 1337 CB SER A 88 -6.228 1.189 -3.609 1.00 0.00 C ATOM 1338 OG SER A 88 -5.697 2.141 -2.711 1.00 0.00 O ATOM 0 H SER A 88 -7.694 0.719 -6.071 1.00 0.00 H new ATOM 0 HA SER A 88 -8.272 1.808 -3.399 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.375 0.242 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.512 1.005 -4.410 1.00 0.00 H new ATOM 0 HG SER A 88 -6.428 2.572 -2.221 1.00 0.00 H new ATOM 1344 N THR A 89 -7.203 4.070 -4.228 1.00 0.00 N ATOM 1345 CA THR A 89 -7.069 5.384 -4.838 1.00 0.00 C ATOM 1346 C THR A 89 -5.907 6.162 -4.227 1.00 0.00 C ATOM 1347 O THR A 89 -5.649 6.083 -3.027 1.00 0.00 O ATOM 1348 CB THR A 89 -8.357 6.203 -4.672 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.495 5.372 -4.933 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.382 7.395 -5.618 1.00 0.00 C ATOM 0 H THR A 89 -7.148 4.069 -3.209 1.00 0.00 H new ATOM 0 HA THR A 89 -6.875 5.224 -5.899 1.00 0.00 H new ATOM 0 HB THR A 89 -8.389 6.574 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.315 5.897 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.307 7.954 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.531 8.043 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.326 7.043 -6.648 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.220 6.908 -5.072 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.078 7.714 -4.662 1.00 0.00 C ATOM 1360 C LEU A 90 -4.321 9.174 -5.020 1.00 0.00 C ATOM 1361 O LEU A 90 -4.793 9.477 -6.117 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.797 7.224 -5.347 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.371 5.795 -5.007 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.161 5.391 -5.835 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -2.064 5.666 -3.522 1.00 0.00 C ATOM 0 H LEU A 90 -5.437 6.974 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.957 7.618 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.933 7.297 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.983 7.899 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.196 5.125 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.870 4.372 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.411 5.444 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.333 6.068 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.763 4.642 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.256 6.347 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.953 5.916 -2.944 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.023 10.072 -4.093 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.163 11.503 -4.335 1.00 0.00 C ATOM 1379 C LYS A 91 -2.912 12.239 -3.886 1.00 0.00 C ATOM 1380 O LYS A 91 -2.111 11.708 -3.116 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.385 12.060 -3.601 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.700 11.493 -4.097 1.00 0.00 C ATOM 1383 CD LYS A 91 -7.852 11.879 -3.185 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.153 11.232 -3.629 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.597 11.719 -4.961 1.00 0.00 N ATOM 0 H LYS A 91 -3.681 9.835 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.301 11.654 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.286 11.849 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.402 13.144 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.896 11.855 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.630 10.407 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.625 11.578 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.966 12.963 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.025 10.150 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.929 11.438 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.388 11.134 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.907 12.709 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.807 11.655 -5.635 1.00 0.00 H new ATOM 1399 N ARG A 92 -2.755 13.461 -4.362 1.00 0.00 N ATOM 1400 CA ARG A 92 -1.591 14.264 -4.034 1.00 0.00 C ATOM 1401 C ARG A 92 -1.797 14.990 -2.707 1.00 0.00 C ATOM 1402 O ARG A 92 -2.914 15.395 -2.374 1.00 0.00 O ATOM 1403 CB ARG A 92 -1.316 15.272 -5.149 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.379 16.346 -5.260 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.111 17.309 -6.405 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.073 18.409 -6.406 1.00 0.00 N ATOM 1407 CZ ARG A 92 -3.910 18.670 -7.405 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -3.833 17.992 -8.540 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -4.803 19.642 -7.279 1.00 0.00 N ATOM 0 H ARG A 92 -3.423 13.921 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.731 13.602 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.349 15.744 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.244 14.742 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.352 15.877 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.428 16.903 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.100 17.707 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.165 16.775 -7.353 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.104 19.016 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.128 17.264 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.479 18.198 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.846 20.187 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.447 19.845 -8.043 1.00 0.00 H new ATOM 1423 N GLY A 93 -0.723 15.139 -1.948 1.00 0.00 N ATOM 1424 CA GLY A 93 -0.782 15.867 -0.710 1.00 0.00 C ATOM 1425 C GLY A 93 -0.384 17.308 -0.909 1.00 0.00 C ATOM 1426 O GLY A 93 0.387 17.625 -1.813 1.00 0.00 O ATOM 0 H GLY A 93 0.197 14.762 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.792 15.818 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.121 15.401 0.021 1.00 0.00 H new ATOM 1430 N GLU A 94 -0.904 18.176 -0.067 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.679 19.610 -0.192 1.00 0.00 C ATOM 1432 C GLU A 94 0.740 20.009 0.210 1.00 0.00 C ATOM 1433 O GLU A 94 1.162 21.145 -0.020 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.707 20.363 0.646 1.00 0.00 C ATOM 1435 CG GLU A 94 -1.838 19.848 2.070 1.00 0.00 C ATOM 1436 CD GLU A 94 -2.882 20.605 2.862 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -4.071 20.550 2.496 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -2.514 21.262 3.859 1.00 0.00 O ATOM 0 H GLU A 94 -1.494 17.914 0.723 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.796 19.878 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.435 21.418 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.678 20.298 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.098 18.790 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.874 19.929 2.573 1.00 0.00 H new ATOM 1445 N ASN A 95 1.472 19.080 0.810 1.00 0.00 N ATOM 1446 CA ASN A 95 2.858 19.335 1.195 1.00 0.00 C ATOM 1447 C ASN A 95 3.717 18.101 0.963 1.00 0.00 C ATOM 1448 O ASN A 95 4.005 17.359 1.906 1.00 0.00 O ATOM 1449 CB ASN A 95 2.970 19.769 2.663 1.00 0.00 C ATOM 1450 CG ASN A 95 2.428 21.160 2.924 1.00 0.00 C ATOM 1451 OD1 ASN A 95 3.138 22.151 2.768 1.00 0.00 O ATOM 1452 ND2 ASN A 95 1.174 21.241 3.340 1.00 0.00 N ATOM 0 H ASN A 95 1.133 18.146 1.041 1.00 0.00 H new ATOM 0 HA ASN A 95 3.219 20.150 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.432 19.055 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.016 19.732 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.762 22.152 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.619 20.393 3.456 1.00 0.00 H new ATOM 1459 N GLY A 96 4.072 17.868 -0.303 1.00 0.00 N ATOM 1460 CA GLY A 96 4.963 16.769 -0.669 1.00 0.00 C ATOM 1461 C GLY A 96 4.587 15.442 -0.026 1.00 0.00 C ATOM 1462 O GLY A 96 5.440 14.751 0.530 1.00 0.00 O ATOM 0 H GLY A 96 3.754 18.429 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.957 16.653 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.982 17.027 -0.381 1.00 0.00 H new ATOM 1466 N THR A 97 3.316 15.085 -0.103 1.00 0.00 N ATOM 1467 CA THR A 97 2.817 13.891 0.560 1.00 0.00 C ATOM 1468 C THR A 97 1.898 13.098 -0.364 1.00 0.00 C ATOM 1469 O THR A 97 1.529 13.577 -1.438 1.00 0.00 O ATOM 1470 CB THR A 97 2.075 14.272 1.857 1.00 0.00 C ATOM 1471 OG1 THR A 97 1.568 15.611 1.751 1.00 0.00 O ATOM 1472 CG2 THR A 97 3.006 14.173 3.057 1.00 0.00 C ATOM 0 H THR A 97 2.608 15.607 -0.620 1.00 0.00 H new ATOM 0 HA THR A 97 3.669 13.260 0.814 1.00 0.00 H new ATOM 0 HB THR A 97 1.247 13.577 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.288 16.249 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.463 14.446 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.374 13.151 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.848 14.851 2.921 1.00 0.00 H new ATOM 1480 N LEU A 98 1.542 11.887 0.038 1.00 0.00 N ATOM 1481 CA LEU A 98 0.658 11.053 -0.761 1.00 0.00 C ATOM 1482 C LEU A 98 -0.552 10.637 0.062 1.00 0.00 C ATOM 1483 O LEU A 98 -0.421 10.262 1.232 1.00 0.00 O ATOM 1484 CB LEU A 98 1.395 9.810 -1.268 1.00 0.00 C ATOM 1485 CG LEU A 98 0.600 8.921 -2.231 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.378 9.631 -3.561 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.309 7.592 -2.445 1.00 0.00 C ATOM 0 H LEU A 98 1.851 11.461 0.912 1.00 0.00 H new ATOM 0 HA LEU A 98 0.325 11.633 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.310 10.129 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.693 9.210 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.374 8.721 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.188 8.982 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.178 10.553 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.342 9.866 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.728 6.976 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.298 7.771 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.409 7.075 -1.490 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.722 10.730 -0.544 1.00 0.00 N ATOM 1500 CA ILE A 99 -2.957 10.315 0.098 1.00 0.00 C ATOM 1501 C ILE A 99 -3.394 8.960 -0.450 1.00 0.00 C ATOM 1502 O ILE A 99 -3.665 8.819 -1.642 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.076 11.356 -0.121 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.671 12.704 0.487 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.389 10.866 0.473 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -4.666 13.814 0.221 1.00 0.00 C ATOM 0 H ILE A 99 -1.843 11.093 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.774 10.233 1.169 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.222 11.491 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.551 12.586 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.699 12.995 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.165 11.614 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.679 9.931 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.265 10.702 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.313 14.737 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.769 13.961 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.634 13.545 0.644 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.442 7.969 0.421 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.789 6.614 0.025 1.00 0.00 C ATOM 1520 C TRP A 100 -5.161 6.237 0.571 1.00 0.00 C ATOM 1521 O TRP A 100 -5.351 6.140 1.781 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.716 5.646 0.534 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.890 4.222 0.089 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.641 3.765 -0.956 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.275 3.066 0.672 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.537 2.403 -1.050 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.705 1.949 -0.065 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.406 2.871 1.750 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.292 0.654 0.238 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.995 1.586 2.050 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.438 0.491 1.297 1.00 0.00 C ATOM 0 H TRP A 100 -3.243 8.077 1.416 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.833 6.554 -1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.740 5.999 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.710 5.673 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.231 4.387 -1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.005 1.820 -1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.062 3.709 2.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.633 -0.192 -0.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.321 1.423 2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -1.100 -0.501 1.556 1.00 0.00 H new ATOM 1542 N GLU A 101 -6.116 6.044 -0.322 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.463 5.666 0.077 1.00 0.00 C ATOM 1544 C GLU A 101 -7.758 4.231 -0.296 1.00 0.00 C ATOM 1545 O GLU A 101 -7.460 3.782 -1.406 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.506 6.573 -0.552 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.876 7.755 0.320 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.951 8.620 -0.294 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -11.037 8.088 -0.611 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -9.726 9.838 -0.440 1.00 0.00 O ATOM 0 H GLU A 101 -5.985 6.143 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.514 5.773 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.131 6.939 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.403 5.991 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.217 7.393 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.988 8.360 0.500 1.00 0.00 H new ATOM 1557 N GLN A 102 -8.343 3.522 0.641 1.00 0.00 N ATOM 1558 CA GLN A 102 -8.701 2.131 0.433 1.00 0.00 C ATOM 1559 C GLN A 102 -9.922 1.771 1.269 1.00 0.00 C ATOM 1560 O GLN A 102 -9.891 1.885 2.500 1.00 0.00 O ATOM 1561 CB GLN A 102 -7.511 1.222 0.769 1.00 0.00 C ATOM 1562 CG GLN A 102 -7.535 -0.117 0.042 1.00 0.00 C ATOM 1563 CD GLN A 102 -8.566 -1.080 0.590 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -8.842 -1.104 1.788 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -9.162 -1.864 -0.289 1.00 0.00 N ATOM 0 H GLN A 102 -8.584 3.886 1.563 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.955 1.982 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.586 1.743 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.496 1.041 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.736 0.056 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.549 -0.576 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.904 -1.814 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.880 -2.520 0.017 1.00 0.00 H new ATOM 1574 N ASN A 103 -10.997 1.369 0.580 1.00 0.00 N ATOM 1575 CA ASN A 103 -12.239 0.916 1.219 1.00 0.00 C ATOM 1576 C ASN A 103 -12.965 2.053 1.926 1.00 0.00 C ATOM 1577 O ASN A 103 -14.041 2.480 1.507 1.00 0.00 O ATOM 1578 CB ASN A 103 -11.959 -0.227 2.200 1.00 0.00 C ATOM 1579 CG ASN A 103 -12.169 -1.597 1.584 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -13.047 -1.788 0.745 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -11.352 -2.557 1.987 1.00 0.00 N ATOM 0 H ASN A 103 -11.030 1.349 -0.439 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.892 0.550 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.933 -0.149 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.609 -0.121 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.438 -3.496 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.636 -2.358 2.686 1.00 0.00 H new ATOM 1588 N GLY A 104 -12.363 2.539 2.990 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.981 3.581 3.784 1.00 0.00 C ATOM 1590 C GLY A 104 -12.007 4.335 4.671 1.00 0.00 C ATOM 1591 O GLY A 104 -12.418 5.223 5.419 1.00 0.00 O ATOM 0 H GLY A 104 -11.450 2.231 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.473 4.289 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.757 3.137 4.408 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.721 3.997 4.606 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.728 4.687 5.415 1.00 0.00 C ATOM 1597 C GLN A 105 -8.783 5.477 4.530 1.00 0.00 C ATOM 1598 O GLN A 105 -8.337 4.992 3.487 1.00 0.00 O ATOM 1599 CB GLN A 105 -8.936 3.696 6.266 1.00 0.00 C ATOM 1600 CG GLN A 105 -9.817 2.771 7.087 1.00 0.00 C ATOM 1601 CD GLN A 105 -9.075 2.135 8.248 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -7.866 1.921 8.188 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -9.794 1.829 9.318 1.00 0.00 N ATOM 0 H GLN A 105 -10.349 3.259 4.009 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.252 5.374 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.299 3.097 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.277 4.248 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.669 3.332 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.215 1.987 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.796 2.021 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.346 1.401 10.128 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.510 6.702 4.935 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.595 7.563 4.212 1.00 0.00 C ATOM 1614 C ARG A 106 -6.242 7.613 4.918 1.00 0.00 C ATOM 1615 O ARG A 106 -6.139 8.095 6.045 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.204 8.959 4.090 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.409 9.917 3.218 1.00 0.00 C ATOM 1618 CD ARG A 106 -8.215 11.169 2.906 1.00 0.00 C ATOM 1619 NE ARG A 106 -9.405 10.859 2.111 1.00 0.00 N ATOM 1620 CZ ARG A 106 -10.661 11.039 2.527 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -10.899 11.580 3.717 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -11.672 10.692 1.736 1.00 0.00 N ATOM 0 H ARG A 106 -8.914 7.127 5.770 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.432 7.163 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.211 8.868 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.300 9.389 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.484 10.193 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.128 9.421 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.514 11.651 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.590 11.879 2.365 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.265 10.479 1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.121 11.859 4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.859 11.716 4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.486 10.291 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.634 10.827 2.048 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.209 7.116 4.261 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.864 7.158 4.818 1.00 0.00 C ATOM 1638 C LYS A 107 -3.107 8.375 4.313 1.00 0.00 C ATOM 1639 O LYS A 107 -3.170 8.717 3.131 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.071 5.893 4.471 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.350 4.712 5.384 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.099 5.063 6.838 1.00 0.00 C ATOM 1643 CE LYS A 107 -3.156 3.825 7.717 1.00 0.00 C ATOM 1644 NZ LYS A 107 -1.890 3.039 7.673 1.00 0.00 N ATOM 0 H LYS A 107 -5.273 6.679 3.342 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.970 7.219 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.298 5.606 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.006 6.124 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.384 4.391 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.718 3.871 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.123 5.539 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.842 5.786 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.361 4.122 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.984 3.193 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.113 2.027 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.324 3.339 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.349 3.203 8.546 1.00 0.00 H new ATOM 1658 N THR A 108 -2.408 9.033 5.217 1.00 0.00 N ATOM 1659 CA THR A 108 -1.525 10.119 4.850 1.00 0.00 C ATOM 1660 C THR A 108 -0.084 9.665 5.029 1.00 0.00 C ATOM 1661 O THR A 108 0.352 9.393 6.146 1.00 0.00 O ATOM 1662 CB THR A 108 -1.795 11.367 5.711 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.195 11.675 5.680 1.00 0.00 O ATOM 1664 CG2 THR A 108 -0.998 12.562 5.207 1.00 0.00 C ATOM 0 H THR A 108 -2.436 8.832 6.217 1.00 0.00 H new ATOM 0 HA THR A 108 -1.706 10.386 3.809 1.00 0.00 H new ATOM 0 HB THR A 108 -1.484 11.154 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.368 12.468 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.208 13.429 5.833 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.067 12.333 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.282 12.781 4.178 1.00 0.00 H new ATOM 1672 N MET A 109 0.642 9.557 3.931 1.00 0.00 N ATOM 1673 CA MET A 109 1.987 9.012 3.972 1.00 0.00 C ATOM 1674 C MET A 109 3.009 10.098 3.692 1.00 0.00 C ATOM 1675 O MET A 109 2.762 11.004 2.890 1.00 0.00 O ATOM 1676 CB MET A 109 2.128 7.875 2.960 1.00 0.00 C ATOM 1677 CG MET A 109 1.033 6.826 3.072 1.00 0.00 C ATOM 1678 SD MET A 109 1.321 5.410 2.001 1.00 0.00 S ATOM 1679 CE MET A 109 2.748 4.674 2.795 1.00 0.00 C ATOM 0 H MET A 109 0.325 9.838 3.003 1.00 0.00 H new ATOM 0 HA MET A 109 2.170 8.615 4.971 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.119 8.292 1.953 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.097 7.394 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.964 6.487 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.074 7.279 2.820 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.618 4.775 2.146 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.940 5.181 3.741 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.556 3.618 2.982 1.00 0.00 H new ATOM 1689 N THR A 110 4.155 10.005 4.348 1.00 0.00 N ATOM 1690 CA THR A 110 5.197 11.003 4.198 1.00 0.00 C ATOM 1691 C THR A 110 6.207 10.555 3.152 1.00 0.00 C ATOM 1692 O THR A 110 6.392 9.355 2.925 1.00 0.00 O ATOM 1693 CB THR A 110 5.934 11.247 5.527 1.00 0.00 C ATOM 1694 OG1 THR A 110 5.030 11.117 6.630 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.563 12.634 5.556 1.00 0.00 C ATOM 0 H THR A 110 4.385 9.247 4.990 1.00 0.00 H new ATOM 0 HA THR A 110 4.719 11.931 3.883 1.00 0.00 H new ATOM 0 HB THR A 110 6.723 10.499 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.513 11.273 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.077 12.780 6.506 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.278 12.727 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.785 13.389 5.445 1.00 0.00 H new ATOM 1703 N ARG A 111 6.861 11.515 2.524 1.00 0.00 N ATOM 1704 CA ARG A 111 7.824 11.220 1.480 1.00 0.00 C ATOM 1705 C ARG A 111 9.205 11.051 2.092 1.00 0.00 C ATOM 1706 O ARG A 111 9.565 11.740 3.049 1.00 0.00 O ATOM 1707 CB ARG A 111 7.830 12.337 0.424 1.00 0.00 C ATOM 1708 CG ARG A 111 8.963 13.336 0.574 1.00 0.00 C ATOM 1709 CD ARG A 111 8.597 14.680 -0.034 1.00 0.00 C ATOM 1710 NE ARG A 111 9.730 15.603 -0.071 1.00 0.00 N ATOM 1711 CZ ARG A 111 9.753 16.782 0.548 1.00 0.00 C ATOM 1712 NH1 ARG A 111 8.780 17.126 1.379 1.00 0.00 N ATOM 1713 NH2 ARG A 111 10.779 17.598 0.369 1.00 0.00 N ATOM 0 H ARG A 111 6.742 12.509 2.720 1.00 0.00 H new ATOM 0 HA ARG A 111 7.542 10.290 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.890 11.884 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.881 12.872 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.200 13.465 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.860 12.948 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.223 14.528 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.786 15.127 0.541 1.00 0.00 H new ATOM 0 HE ARG A 111 10.554 15.327 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.005 16.486 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.806 18.031 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.549 17.323 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.800 18.502 0.841 1.00 0.00 H new ATOM 1727 N ILE A 112 9.961 10.119 1.554 1.00 0.00 N ATOM 1728 CA ILE A 112 11.315 9.883 2.012 1.00 0.00 C ATOM 1729 C ILE A 112 12.298 10.686 1.177 1.00 0.00 C ATOM 1730 O ILE A 112 12.065 10.937 -0.007 1.00 0.00 O ATOM 1731 CB ILE A 112 11.667 8.390 1.925 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.578 7.573 2.614 1.00 0.00 C ATOM 1733 CG2 ILE A 112 13.030 8.106 2.550 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.520 7.775 4.112 1.00 0.00 C ATOM 0 H ILE A 112 9.660 9.508 0.794 1.00 0.00 H new ATOM 0 HA ILE A 112 11.381 10.199 3.053 1.00 0.00 H new ATOM 0 HB ILE A 112 11.724 8.104 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.612 7.836 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.743 6.516 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.251 7.041 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.797 8.675 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.017 8.399 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.722 7.162 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.472 7.484 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.324 8.825 4.330 1.00 0.00 H new ATOM 1746 N GLU A 113 13.388 11.083 1.798 1.00 0.00 N ATOM 1747 CA GLU A 113 14.409 11.853 1.119 1.00 0.00 C ATOM 1748 C GLU A 113 15.474 10.918 0.578 1.00 0.00 C ATOM 1749 O GLU A 113 16.386 10.504 1.293 1.00 0.00 O ATOM 1750 CB GLU A 113 15.041 12.870 2.062 1.00 0.00 C ATOM 1751 CG GLU A 113 14.034 13.764 2.768 1.00 0.00 C ATOM 1752 CD GLU A 113 14.704 14.793 3.653 1.00 0.00 C ATOM 1753 OE1 GLU A 113 15.229 14.418 4.725 1.00 0.00 O ATOM 1754 OE2 GLU A 113 14.731 15.980 3.272 1.00 0.00 O ATOM 0 H GLU A 113 13.591 10.884 2.778 1.00 0.00 H new ATOM 0 HA GLU A 113 13.945 12.395 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.629 12.340 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.733 13.494 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 113 13.418 14.272 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.365 13.150 3.371 1.00 0.00 H new