USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 56 CYS SG : rot 180:sc= -0.0347 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.406 K(o=-0.41,f=-4.3!) USER MOD Single : A 31 SER OG : rot -150:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 18:sc= 1.17 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.62 K(o=0.62,f=-0.019) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 1.11 (180deg=0.997) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 58 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-1.4) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 62 SER OG : rot 122:sc= 1.11 USER MOD Single : A 63 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.44) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 ASN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 68 ASN : amide:sc= 0.39 K(o=0.39,f=-6.9!) USER MOD Single : A 72 GLN : amide:sc= 0.935 K(o=0.93,f=-0.8) USER MOD Single : A 73 GLN : amide:sc=-0.00659 X(o=-0.0066,f=-0.0066) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.06) USER MOD Single : A 80 SER OG : rot 59:sc= 1.19 USER MOD Single : A 81 MET CE :methyl -166:sc=-0.00151 (180deg=-0.186) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 101 THR OG1 : rot 123:sc= 0.571 USER MOD Single : A 107 GLN : amide:sc= -0.47 K(o=-0.47,f=-2.2) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 0.451 12.464 -4.560 1.00 0.00 N ATOM 244 CA LEU A 16 1.457 11.844 -3.724 1.00 0.00 C ATOM 245 C LEU A 16 1.208 10.326 -3.779 1.00 0.00 C ATOM 246 O LEU A 16 2.152 9.555 -3.903 1.00 0.00 O ATOM 247 CB LEU A 16 1.341 12.495 -2.333 1.00 0.00 C ATOM 248 CG LEU A 16 2.342 12.043 -1.260 1.00 0.00 C ATOM 249 CD1 LEU A 16 2.236 10.579 -0.855 1.00 0.00 C ATOM 250 CD2 LEU A 16 3.769 12.396 -1.671 1.00 0.00 C ATOM 0 HA LEU A 16 2.488 11.994 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.441 13.573 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.335 12.309 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 16 2.070 12.600 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.984 10.357 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.241 10.383 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.407 9.947 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.462 12.067 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.011 11.898 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.854 13.475 -1.800 1.00 0.00 H new ATOM 262 N ALA A 17 -0.056 9.870 -3.783 1.00 0.00 N ATOM 263 CA ALA A 17 -0.399 8.461 -3.956 1.00 0.00 C ATOM 264 C ALA A 17 0.138 7.870 -5.267 1.00 0.00 C ATOM 265 O ALA A 17 0.599 6.724 -5.269 1.00 0.00 O ATOM 266 CB ALA A 17 -1.916 8.254 -3.860 1.00 0.00 C ATOM 0 H ALA A 17 -0.867 10.477 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 17 0.089 7.924 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.148 7.197 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.267 8.583 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.412 8.834 -4.638 1.00 0.00 H new ATOM 272 N ALA A 18 0.080 8.622 -6.368 1.00 0.00 N ATOM 273 CA ALA A 18 0.625 8.198 -7.650 1.00 0.00 C ATOM 274 C ALA A 18 2.156 8.177 -7.612 1.00 0.00 C ATOM 275 O ALA A 18 2.777 7.249 -8.123 1.00 0.00 O ATOM 276 CB ALA A 18 0.124 9.124 -8.757 1.00 0.00 C ATOM 0 H ALA A 18 -0.350 9.547 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 18 0.284 7.184 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.535 8.802 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.965 9.086 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.444 10.145 -8.550 1.00 0.00 H new ATOM 282 N GLU A 19 2.776 9.166 -6.972 1.00 0.00 N ATOM 283 CA GLU A 19 4.223 9.206 -6.777 1.00 0.00 C ATOM 284 C GLU A 19 4.670 8.046 -5.873 1.00 0.00 C ATOM 285 O GLU A 19 5.771 7.523 -6.042 1.00 0.00 O ATOM 286 CB GLU A 19 4.626 10.600 -6.266 1.00 0.00 C ATOM 287 CG GLU A 19 4.580 11.593 -7.443 1.00 0.00 C ATOM 288 CD GLU A 19 4.357 13.047 -7.028 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.340 13.793 -6.842 1.00 0.00 O ATOM 290 OE2 GLU A 19 3.190 13.503 -7.018 1.00 0.00 O ATOM 0 H GLU A 19 2.286 9.966 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 19 4.748 9.057 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.950 10.922 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.627 10.570 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.516 11.525 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.783 11.295 -8.124 1.00 0.00 H new ATOM 297 N ALA A 20 3.822 7.575 -4.954 1.00 0.00 N ATOM 298 CA ALA A 20 4.104 6.399 -4.151 1.00 0.00 C ATOM 299 C ALA A 20 4.030 5.146 -5.014 1.00 0.00 C ATOM 300 O ALA A 20 4.869 4.266 -4.856 1.00 0.00 O ATOM 301 CB ALA A 20 3.156 6.318 -2.956 1.00 0.00 C ATOM 0 H ALA A 20 2.920 8.006 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 20 5.117 6.476 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.386 5.429 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.278 7.205 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.127 6.262 -3.311 1.00 0.00 H new ATOM 307 N ILE A 21 3.058 5.055 -5.925 1.00 0.00 N ATOM 308 CA ILE A 21 2.950 3.980 -6.908 1.00 0.00 C ATOM 309 C ILE A 21 4.211 3.973 -7.780 1.00 0.00 C ATOM 310 O ILE A 21 4.690 2.906 -8.158 1.00 0.00 O ATOM 311 CB ILE A 21 1.635 4.198 -7.711 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.486 3.521 -6.946 1.00 0.00 C ATOM 313 CG2 ILE A 21 1.700 3.755 -9.183 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.920 3.847 -7.462 1.00 0.00 C ATOM 0 H ILE A 21 2.309 5.743 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 21 2.892 2.996 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 21 1.462 5.272 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.630 2.441 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.548 3.812 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.740 3.945 -9.663 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.480 4.316 -9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.926 2.690 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.660 3.322 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.092 4.921 -7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.009 3.530 -8.501 1.00 0.00 H new ATOM 326 N GLU A 22 4.786 5.137 -8.086 1.00 0.00 N ATOM 327 CA GLU A 22 6.029 5.217 -8.837 1.00 0.00 C ATOM 328 C GLU A 22 7.207 4.594 -8.064 1.00 0.00 C ATOM 329 O GLU A 22 8.190 4.187 -8.692 1.00 0.00 O ATOM 330 CB GLU A 22 6.259 6.667 -9.289 1.00 0.00 C ATOM 331 CG GLU A 22 7.541 6.836 -10.109 1.00 0.00 C ATOM 332 CD GLU A 22 7.531 8.131 -10.917 1.00 0.00 C ATOM 333 OE1 GLU A 22 7.402 9.230 -10.328 1.00 0.00 O ATOM 334 OE2 GLU A 22 7.675 8.055 -12.160 1.00 0.00 O ATOM 0 H GLU A 22 4.402 6.043 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 22 5.954 4.612 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.407 6.997 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.306 7.313 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.403 6.831 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.655 5.988 -10.784 1.00 0.00 H new ATOM 341 N ARG A 23 7.124 4.441 -6.735 1.00 0.00 N ATOM 342 CA ARG A 23 8.143 3.750 -5.946 1.00 0.00 C ATOM 343 C ARG A 23 7.750 2.300 -5.677 1.00 0.00 C ATOM 344 O ARG A 23 8.527 1.397 -5.985 1.00 0.00 O ATOM 345 CB ARG A 23 8.428 4.492 -4.626 1.00 0.00 C ATOM 346 CG ARG A 23 9.709 3.916 -4.010 1.00 0.00 C ATOM 347 CD ARG A 23 10.234 4.772 -2.862 1.00 0.00 C ATOM 348 NE ARG A 23 11.444 4.153 -2.307 1.00 0.00 N ATOM 349 CZ ARG A 23 12.717 4.520 -2.483 1.00 0.00 C ATOM 350 NH1 ARG A 23 13.057 5.615 -3.151 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.659 3.740 -1.985 1.00 0.00 N ATOM 0 H ARG A 23 6.345 4.795 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 23 9.061 3.745 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.543 5.560 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.591 4.375 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.514 2.907 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.476 3.835 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.457 5.778 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.473 4.868 -2.088 1.00 0.00 H new ATOM 0 HE ARG A 23 11.294 3.339 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.334 6.212 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.041 5.859 -3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.404 2.888 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.641 3.989 -2.101 1.00 0.00 H new ATOM 365 N ASP A 24 6.606 2.076 -5.035 1.00 0.00 N ATOM 366 CA ASP A 24 6.164 0.759 -4.596 1.00 0.00 C ATOM 367 C ASP A 24 5.742 -0.089 -5.792 1.00 0.00 C ATOM 368 O ASP A 24 4.709 0.209 -6.405 1.00 0.00 O ATOM 369 CB ASP A 24 4.985 0.852 -3.623 1.00 0.00 C ATOM 370 CG ASP A 24 4.575 -0.542 -3.111 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.350 -1.517 -3.257 1.00 0.00 O ATOM 372 OD2 ASP A 24 3.436 -0.681 -2.624 1.00 0.00 O ATOM 0 H ASP A 24 5.949 2.821 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 24 7.008 0.295 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.255 1.487 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.137 1.324 -4.119 1.00 0.00 H new ATOM 377 N PRO A 25 6.471 -1.169 -6.131 1.00 0.00 N ATOM 378 CA PRO A 25 6.061 -2.014 -7.230 1.00 0.00 C ATOM 379 C PRO A 25 4.699 -2.648 -6.955 1.00 0.00 C ATOM 380 O PRO A 25 3.928 -2.813 -7.899 1.00 0.00 O ATOM 381 CB PRO A 25 7.172 -3.056 -7.398 1.00 0.00 C ATOM 382 CG PRO A 25 7.809 -3.138 -6.013 1.00 0.00 C ATOM 383 CD PRO A 25 7.649 -1.719 -5.470 1.00 0.00 C ATOM 0 HA PRO A 25 5.931 -1.447 -8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.772 -4.020 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.896 -2.750 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.306 -3.870 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.857 -3.432 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.522 -1.727 -4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.533 -1.117 -5.682 1.00 0.00 H new ATOM 391 N TRP A 26 4.377 -2.969 -5.698 1.00 0.00 N ATOM 392 CA TRP A 26 3.120 -3.612 -5.364 1.00 0.00 C ATOM 393 C TRP A 26 1.952 -2.646 -5.540 1.00 0.00 C ATOM 394 O TRP A 26 0.948 -3.023 -6.141 1.00 0.00 O ATOM 395 CB TRP A 26 3.181 -4.169 -3.945 1.00 0.00 C ATOM 396 CG TRP A 26 1.904 -4.777 -3.451 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.315 -4.450 -2.285 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.048 -5.792 -4.062 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.155 -5.178 -2.119 1.00 0.00 N ATOM 400 CE2 TRP A 26 -0.032 -6.059 -3.169 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.095 -6.549 -5.254 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.990 -7.049 -3.442 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.187 -7.594 -5.499 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.867 -7.833 -4.604 1.00 0.00 C ATOM 0 H TRP A 26 4.980 -2.789 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 26 2.955 -4.444 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.967 -4.923 -3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.470 -3.366 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.695 -3.724 -1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.480 -5.080 -1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.847 -6.319 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.816 -7.208 -2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.301 -8.213 -6.377 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.582 -8.617 -4.807 1.00 0.00 H new ATOM 415 N ALA A 27 2.063 -1.398 -5.078 1.00 0.00 N ATOM 416 CA ALA A 27 1.017 -0.406 -5.277 1.00 0.00 C ATOM 417 C ALA A 27 0.714 -0.266 -6.767 1.00 0.00 C ATOM 418 O ALA A 27 -0.462 -0.247 -7.144 1.00 0.00 O ATOM 419 CB ALA A 27 1.413 0.953 -4.691 1.00 0.00 C ATOM 0 H ALA A 27 2.873 -1.055 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 27 0.124 -0.747 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.609 1.669 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.591 0.850 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.322 1.308 -5.177 1.00 0.00 H new ATOM 425 N ALA A 28 1.757 -0.192 -7.601 1.00 0.00 N ATOM 426 CA ALA A 28 1.597 -0.067 -9.039 1.00 0.00 C ATOM 427 C ALA A 28 0.891 -1.304 -9.595 1.00 0.00 C ATOM 428 O ALA A 28 -0.064 -1.182 -10.365 1.00 0.00 O ATOM 429 CB ALA A 28 2.967 0.116 -9.704 1.00 0.00 C ATOM 0 H ALA A 28 2.729 -0.218 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 28 0.986 0.809 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.838 0.209 -10.782 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.442 1.017 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.595 -0.748 -9.487 1.00 0.00 H new ATOM 435 N GLN A 29 1.328 -2.492 -9.166 1.00 0.00 N ATOM 436 CA GLN A 29 0.764 -3.763 -9.594 1.00 0.00 C ATOM 437 C GLN A 29 -0.719 -3.820 -9.251 1.00 0.00 C ATOM 438 O GLN A 29 -1.530 -4.137 -10.115 1.00 0.00 O ATOM 439 CB GLN A 29 1.524 -4.928 -8.944 1.00 0.00 C ATOM 440 CG GLN A 29 2.864 -5.177 -9.649 1.00 0.00 C ATOM 441 CD GLN A 29 3.770 -6.154 -8.898 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.836 -6.193 -7.672 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.470 -6.993 -9.637 1.00 0.00 N ATOM 0 H GLN A 29 2.095 -2.592 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 29 0.868 -3.852 -10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.699 -4.709 -7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.915 -5.831 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.674 -5.565 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.386 -4.227 -9.769 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.407 -6.951 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.074 -7.684 -9.191 1.00 0.00 H new ATOM 452 N VAL A 30 -1.113 -3.485 -8.025 1.00 0.00 N ATOM 453 CA VAL A 30 -2.506 -3.613 -7.604 1.00 0.00 C ATOM 454 C VAL A 30 -3.401 -2.690 -8.413 1.00 0.00 C ATOM 455 O VAL A 30 -4.510 -3.079 -8.780 1.00 0.00 O ATOM 456 CB VAL A 30 -2.626 -3.316 -6.096 1.00 0.00 C ATOM 457 CG1 VAL A 30 -4.070 -3.188 -5.580 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.941 -4.408 -5.288 1.00 0.00 C ATOM 0 H VAL A 30 -0.487 -3.123 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.836 -4.636 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.145 -2.347 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.057 -2.979 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.572 -2.374 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.605 -4.120 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.033 -4.186 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.412 -5.368 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.886 -4.454 -5.559 1.00 0.00 H new ATOM 468 N SER A 31 -2.920 -1.491 -8.717 1.00 0.00 N ATOM 469 CA SER A 31 -3.627 -0.573 -9.578 1.00 0.00 C ATOM 470 C SER A 31 -3.774 -1.155 -10.989 1.00 0.00 C ATOM 471 O SER A 31 -4.848 -1.043 -11.582 1.00 0.00 O ATOM 472 CB SER A 31 -2.862 0.747 -9.538 1.00 0.00 C ATOM 473 OG SER A 31 -3.166 1.438 -8.337 1.00 0.00 O ATOM 0 H SER A 31 -2.029 -1.135 -8.370 1.00 0.00 H new ATOM 0 HA SER A 31 -4.648 -0.401 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.790 0.559 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.129 1.360 -10.399 1.00 0.00 H new ATOM 0 HG SER A 31 -3.100 2.404 -8.490 1.00 0.00 H new ATOM 479 N GLN A 32 -2.761 -1.867 -11.491 1.00 0.00 N ATOM 480 CA GLN A 32 -2.799 -2.478 -12.813 1.00 0.00 C ATOM 481 C GLN A 32 -3.812 -3.623 -12.841 1.00 0.00 C ATOM 482 O GLN A 32 -4.503 -3.807 -13.843 1.00 0.00 O ATOM 483 CB GLN A 32 -1.389 -2.963 -13.177 1.00 0.00 C ATOM 484 CG GLN A 32 -1.314 -3.603 -14.565 1.00 0.00 C ATOM 485 CD GLN A 32 0.124 -3.958 -14.913 1.00 0.00 C ATOM 486 OE1 GLN A 32 0.738 -3.345 -15.788 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.712 -4.915 -14.215 1.00 0.00 N ATOM 0 H GLN A 32 -1.890 -2.034 -10.986 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.119 -1.745 -13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.699 -2.120 -13.134 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.056 -3.686 -12.432 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.933 -4.500 -14.592 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.716 -2.916 -15.310 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.191 -5.414 -13.494 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.687 -5.154 -14.398 1.00 0.00 H new ATOM 496 N LEU A 33 -3.913 -4.384 -11.749 1.00 0.00 N ATOM 497 CA LEU A 33 -4.892 -5.458 -11.583 1.00 0.00 C ATOM 498 C LEU A 33 -6.294 -4.900 -11.383 1.00 0.00 C ATOM 499 O LEU A 33 -7.284 -5.550 -11.720 1.00 0.00 O ATOM 500 CB LEU A 33 -4.553 -6.291 -10.333 1.00 0.00 C ATOM 501 CG LEU A 33 -3.220 -7.044 -10.367 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.023 -7.904 -9.113 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.168 -7.888 -11.633 1.00 0.00 C ATOM 0 H LEU A 33 -3.304 -4.268 -10.939 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.858 -6.067 -12.486 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.550 -5.627 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.352 -7.015 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.402 -6.324 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.066 -8.423 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.034 -7.266 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.828 -8.635 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.223 -8.430 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.994 -8.599 -11.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.249 -7.240 -12.506 1.00 0.00 H new ATOM 515 N SER A 34 -6.356 -3.693 -10.825 1.00 0.00 N ATOM 516 CA SER A 34 -7.562 -3.001 -10.411 1.00 0.00 C ATOM 517 C SER A 34 -8.423 -3.944 -9.572 1.00 0.00 C ATOM 518 O SER A 34 -9.504 -4.367 -9.988 1.00 0.00 O ATOM 519 CB SER A 34 -8.276 -2.424 -11.634 1.00 0.00 C ATOM 520 OG SER A 34 -7.512 -1.364 -12.190 1.00 0.00 O ATOM 0 H SER A 34 -5.515 -3.146 -10.642 1.00 0.00 H new ATOM 0 HA SER A 34 -7.325 -2.149 -9.774 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.425 -3.205 -12.380 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.264 -2.061 -11.350 1.00 0.00 H new ATOM 0 HG SER A 34 -6.592 -1.414 -11.856 1.00 0.00 H new ATOM 526 N LEU A 35 -7.908 -4.316 -8.395 1.00 0.00 N ATOM 527 CA LEU A 35 -8.679 -5.110 -7.442 1.00 0.00 C ATOM 528 C LEU A 35 -9.957 -4.338 -7.083 1.00 0.00 C ATOM 529 O LEU A 35 -9.935 -3.107 -7.077 1.00 0.00 O ATOM 530 CB LEU A 35 -7.852 -5.449 -6.189 1.00 0.00 C ATOM 531 CG LEU A 35 -7.079 -6.778 -6.277 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.223 -6.903 -7.529 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.139 -6.912 -5.079 1.00 0.00 C ATOM 0 H LEU A 35 -6.966 -4.080 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.948 -6.063 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.143 -4.642 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.519 -5.487 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.840 -7.559 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.708 -7.864 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.858 -6.837 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.489 -6.098 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.595 -7.854 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.431 -6.083 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.720 -6.894 -4.157 1.00 0.00 H new ATOM 545 N PRO A 36 -11.049 -5.043 -6.741 1.00 0.00 N ATOM 546 CA PRO A 36 -12.354 -4.445 -6.508 1.00 0.00 C ATOM 547 C PRO A 36 -12.388 -3.590 -5.237 1.00 0.00 C ATOM 548 O PRO A 36 -12.058 -2.408 -5.298 1.00 0.00 O ATOM 549 CB PRO A 36 -13.336 -5.624 -6.526 1.00 0.00 C ATOM 550 CG PRO A 36 -12.484 -6.794 -6.040 1.00 0.00 C ATOM 551 CD PRO A 36 -11.154 -6.492 -6.720 1.00 0.00 C ATOM 0 HA PRO A 36 -12.628 -3.720 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.189 -5.448 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.733 -5.802 -7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.396 -6.816 -4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.894 -7.757 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.323 -6.938 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.127 -6.902 -7.730 1.00 0.00 H new ATOM 559 N LYS A 37 -12.788 -4.129 -4.078 1.00 0.00 N ATOM 560 CA LYS A 37 -12.958 -3.317 -2.875 1.00 0.00 C ATOM 561 C LYS A 37 -12.500 -4.066 -1.636 1.00 0.00 C ATOM 562 O LYS A 37 -11.535 -3.639 -1.013 1.00 0.00 O ATOM 563 CB LYS A 37 -14.422 -2.850 -2.787 1.00 0.00 C ATOM 564 CG LYS A 37 -14.568 -1.521 -2.036 1.00 0.00 C ATOM 565 CD LYS A 37 -14.637 -0.291 -2.955 1.00 0.00 C ATOM 566 CE LYS A 37 -13.450 -0.137 -3.915 1.00 0.00 C ATOM 567 NZ LYS A 37 -13.320 1.234 -4.445 1.00 0.00 N ATOM 0 H LYS A 37 -12.998 -5.119 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.325 -2.432 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.827 -2.742 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.015 -3.615 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.470 -1.557 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.726 -1.406 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.555 -0.343 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.704 0.604 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.531 -0.410 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.567 -0.833 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.503 1.282 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.184 1.489 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.181 1.899 -3.658 1.00 0.00 H new ATOM 581 N LEU A 38 -13.128 -5.193 -1.312 1.00 0.00 N ATOM 582 CA LEU A 38 -12.726 -6.084 -0.228 1.00 0.00 C ATOM 583 C LEU A 38 -11.333 -6.620 -0.520 1.00 0.00 C ATOM 584 O LEU A 38 -10.412 -6.465 0.280 1.00 0.00 O ATOM 585 CB LEU A 38 -13.797 -7.185 -0.095 1.00 0.00 C ATOM 586 CG LEU A 38 -13.507 -8.386 0.826 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.691 -9.489 0.145 1.00 0.00 C ATOM 588 CD2 LEU A 38 -12.873 -8.021 2.168 1.00 0.00 C ATOM 0 H LEU A 38 -13.955 -5.521 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.665 -5.569 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.715 -6.713 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.998 -7.574 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.502 -8.776 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.522 -10.304 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.237 -9.864 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.732 -9.085 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.705 -8.927 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.921 -7.518 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.540 -7.357 2.717 1.00 0.00 H new ATOM 600 N VAL A 39 -11.163 -7.214 -1.701 1.00 0.00 N ATOM 601 CA VAL A 39 -9.901 -7.811 -2.116 1.00 0.00 C ATOM 602 C VAL A 39 -8.851 -6.701 -2.238 1.00 0.00 C ATOM 603 O VAL A 39 -7.696 -6.896 -1.858 1.00 0.00 O ATOM 604 CB VAL A 39 -10.114 -8.591 -3.431 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.887 -9.419 -3.819 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.313 -9.550 -3.353 1.00 0.00 C ATOM 0 H VAL A 39 -11.903 -7.293 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.537 -8.527 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.300 -7.825 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.086 -9.949 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.030 -8.759 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.670 -10.140 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.421 -10.075 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.149 -10.274 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.220 -8.982 -3.147 1.00 0.00 H new ATOM 616 N GLU A 40 -9.256 -5.515 -2.709 1.00 0.00 N ATOM 617 CA GLU A 40 -8.372 -4.359 -2.764 1.00 0.00 C ATOM 618 C GLU A 40 -7.924 -4.014 -1.340 1.00 0.00 C ATOM 619 O GLU A 40 -6.736 -3.796 -1.131 1.00 0.00 O ATOM 620 CB GLU A 40 -9.060 -3.168 -3.457 1.00 0.00 C ATOM 621 CG GLU A 40 -8.124 -1.957 -3.555 1.00 0.00 C ATOM 622 CD GLU A 40 -8.794 -0.740 -4.193 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.495 0.008 -3.469 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.562 -0.448 -5.389 1.00 0.00 O ATOM 0 H GLU A 40 -10.198 -5.337 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.492 -4.596 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.381 -3.463 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.957 -2.892 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.775 -1.692 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.245 -2.230 -4.139 1.00 0.00 H new ATOM 631 N GLN A 41 -8.824 -4.002 -0.348 1.00 0.00 N ATOM 632 CA GLN A 41 -8.467 -3.600 1.006 1.00 0.00 C ATOM 633 C GLN A 41 -7.436 -4.569 1.602 1.00 0.00 C ATOM 634 O GLN A 41 -6.587 -4.138 2.382 1.00 0.00 O ATOM 635 CB GLN A 41 -9.706 -3.470 1.915 1.00 0.00 C ATOM 636 CG GLN A 41 -9.437 -2.376 2.958 1.00 0.00 C ATOM 637 CD GLN A 41 -10.382 -2.354 4.155 1.00 0.00 C ATOM 638 OE1 GLN A 41 -9.937 -2.164 5.287 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.682 -2.470 3.975 1.00 0.00 N ATOM 0 H GLN A 41 -9.802 -4.267 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.014 -2.610 0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.585 -3.219 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.915 -4.419 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.418 -2.494 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.487 -1.407 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.055 -2.627 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.315 -2.402 4.772 1.00 0.00 H new ATOM 648 N VAL A 42 -7.482 -5.855 1.237 1.00 0.00 N ATOM 649 CA VAL A 42 -6.482 -6.845 1.628 1.00 0.00 C ATOM 650 C VAL A 42 -5.145 -6.452 1.013 1.00 0.00 C ATOM 651 O VAL A 42 -4.169 -6.287 1.741 1.00 0.00 O ATOM 652 CB VAL A 42 -6.945 -8.258 1.218 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.878 -9.351 1.358 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.107 -8.644 2.125 1.00 0.00 C ATOM 0 H VAL A 42 -8.226 -6.239 0.654 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.358 -6.868 2.711 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.204 -8.203 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.295 -10.309 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.022 -9.107 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.557 -9.415 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.459 -9.641 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.775 -8.640 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.919 -7.928 2.001 1.00 0.00 H new ATOM 664 N ALA A 43 -5.097 -6.250 -0.306 1.00 0.00 N ATOM 665 CA ALA A 43 -3.881 -5.839 -0.990 1.00 0.00 C ATOM 666 C ALA A 43 -3.325 -4.519 -0.440 1.00 0.00 C ATOM 667 O ALA A 43 -2.111 -4.340 -0.421 1.00 0.00 O ATOM 668 CB ALA A 43 -4.162 -5.735 -2.488 1.00 0.00 C ATOM 0 H ALA A 43 -5.900 -6.368 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.114 -6.593 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.255 -5.427 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.485 -6.705 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.947 -4.998 -2.661 1.00 0.00 H new ATOM 674 N LEU A 44 -4.192 -3.612 0.017 1.00 0.00 N ATOM 675 CA LEU A 44 -3.817 -2.339 0.622 1.00 0.00 C ATOM 676 C LEU A 44 -3.272 -2.510 2.039 1.00 0.00 C ATOM 677 O LEU A 44 -2.449 -1.701 2.477 1.00 0.00 O ATOM 678 CB LEU A 44 -5.001 -1.356 0.634 1.00 0.00 C ATOM 679 CG LEU A 44 -5.402 -0.807 -0.750 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.699 -0.009 -0.614 1.00 0.00 C ATOM 681 CD2 LEU A 44 -4.331 0.087 -1.381 1.00 0.00 C ATOM 0 H LEU A 44 -5.202 -3.750 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.020 -1.927 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.864 -1.855 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.751 -0.517 1.283 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.529 -1.666 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.989 0.383 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.488 -0.659 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.546 0.819 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.677 0.439 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.142 0.942 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.410 -0.483 -1.509 1.00 0.00 H new ATOM 693 N ASN A 45 -3.707 -3.544 2.767 1.00 0.00 N ATOM 694 CA ASN A 45 -3.327 -3.743 4.165 1.00 0.00 C ATOM 695 C ASN A 45 -2.241 -4.784 4.337 1.00 0.00 C ATOM 696 O ASN A 45 -1.875 -5.080 5.481 1.00 0.00 O ATOM 697 CB ASN A 45 -4.549 -4.035 5.040 1.00 0.00 C ATOM 698 CG ASN A 45 -5.194 -2.711 5.370 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.774 -2.043 6.311 1.00 0.00 O ATOM 700 ND2 ASN A 45 -6.138 -2.284 4.555 1.00 0.00 N ATOM 0 H ASN A 45 -4.331 -4.264 2.402 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.895 -2.803 4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.251 -4.684 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.253 -4.556 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.552 -1.362 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.454 -2.876 3.787 1.00 0.00 H new ATOM 707 N ALA A 46 -1.695 -5.295 3.237 1.00 0.00 N ATOM 708 CA ALA A 46 -0.575 -6.199 3.220 1.00 0.00 C ATOM 709 C ALA A 46 0.493 -5.677 2.279 1.00 0.00 C ATOM 710 O ALA A 46 0.217 -4.911 1.358 1.00 0.00 O ATOM 711 CB ALA A 46 -1.034 -7.586 2.760 1.00 0.00 C ATOM 0 H ALA A 46 -2.042 -5.075 2.303 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.162 -6.273 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.182 -8.266 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.792 -7.965 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.455 -7.516 1.757 1.00 0.00 H new ATOM 717 N TRP A 47 1.722 -6.099 2.530 1.00 0.00 N ATOM 718 CA TRP A 47 2.849 -5.830 1.663 1.00 0.00 C ATOM 719 C TRP A 47 3.133 -7.167 1.000 1.00 0.00 C ATOM 720 O TRP A 47 2.944 -8.237 1.590 1.00 0.00 O ATOM 721 CB TRP A 47 4.038 -5.254 2.418 1.00 0.00 C ATOM 722 CG TRP A 47 4.609 -6.112 3.484 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.287 -6.045 4.793 1.00 0.00 C ATOM 724 CD2 TRP A 47 5.642 -7.131 3.358 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.077 -6.925 5.493 1.00 0.00 N ATOM 726 CE2 TRP A 47 5.967 -7.585 4.668 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.378 -7.672 2.283 1.00 0.00 C ATOM 728 CZ2 TRP A 47 6.989 -8.515 4.896 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.396 -8.614 2.508 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.696 -9.041 3.808 1.00 0.00 C ATOM 0 H TRP A 47 1.964 -6.646 3.356 1.00 0.00 H new ATOM 0 HA TRP A 47 2.636 -5.058 0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.826 -5.030 1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.735 -4.307 2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.531 -5.404 5.221 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.014 -7.073 6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.156 -7.358 1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.230 -8.824 5.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.952 -9.012 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.471 -9.775 3.971 1.00 0.00 H new ATOM 741 N LYS A 48 3.564 -7.104 -0.248 1.00 0.00 N ATOM 742 CA LYS A 48 3.742 -8.274 -1.075 1.00 0.00 C ATOM 743 C LYS A 48 5.177 -8.764 -1.128 1.00 0.00 C ATOM 744 O LYS A 48 6.032 -8.066 -1.682 1.00 0.00 O ATOM 745 CB LYS A 48 3.274 -7.837 -2.470 1.00 0.00 C ATOM 746 CG LYS A 48 3.369 -8.894 -3.570 1.00 0.00 C ATOM 747 CD LYS A 48 3.756 -8.296 -4.936 1.00 0.00 C ATOM 748 CE LYS A 48 5.200 -8.564 -5.362 1.00 0.00 C ATOM 749 NZ LYS A 48 6.200 -7.902 -4.497 1.00 0.00 N ATOM 0 H LYS A 48 3.801 -6.229 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 48 3.178 -9.115 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.237 -7.509 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.862 -6.971 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.106 -9.645 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.411 -9.406 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.086 -8.697 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.594 -7.219 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.379 -9.639 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.337 -8.225 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.143 -8.292 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.201 -6.880 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.960 -8.068 -3.499 1.00 0.00 H new ATOM 763 N GLU A 49 5.443 -9.927 -0.557 1.00 0.00 N ATOM 764 CA GLU A 49 6.733 -10.581 -0.667 1.00 0.00 C ATOM 765 C GLU A 49 6.649 -11.373 -1.980 1.00 0.00 C ATOM 766 O GLU A 49 5.552 -11.738 -2.406 1.00 0.00 O ATOM 767 CB GLU A 49 6.964 -11.511 0.537 1.00 0.00 C ATOM 768 CG GLU A 49 8.366 -12.140 0.601 1.00 0.00 C ATOM 769 CD GLU A 49 9.492 -11.116 0.426 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.750 -10.720 -0.730 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.122 -10.700 1.432 1.00 0.00 O ATOM 0 H GLU A 49 4.764 -10.446 -0.000 1.00 0.00 H new ATOM 0 HA GLU A 49 7.566 -9.878 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.791 -10.947 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.223 -12.310 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.488 -12.645 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.452 -12.902 -0.174 1.00 0.00 H new ATOM 778 N GLU A 50 7.768 -11.657 -2.634 1.00 0.00 N ATOM 779 CA GLU A 50 7.798 -12.413 -3.882 1.00 0.00 C ATOM 780 C GLU A 50 8.954 -13.399 -3.798 1.00 0.00 C ATOM 781 O GLU A 50 10.052 -13.031 -3.382 1.00 0.00 O ATOM 782 CB GLU A 50 7.933 -11.438 -5.059 1.00 0.00 C ATOM 783 CG GLU A 50 8.177 -12.146 -6.401 1.00 0.00 C ATOM 784 CD GLU A 50 8.455 -11.158 -7.531 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.369 -10.314 -7.383 1.00 0.00 O ATOM 786 OE2 GLU A 50 7.779 -11.214 -8.587 1.00 0.00 O ATOM 0 H GLU A 50 8.691 -11.366 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 50 6.878 -12.975 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.027 -10.837 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.756 -10.751 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.021 -12.829 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.306 -12.750 -6.655 1.00 0.00 H new ATOM 793 N SER A 51 8.704 -14.644 -4.193 1.00 0.00 N ATOM 794 CA SER A 51 9.622 -15.763 -4.199 1.00 0.00 C ATOM 795 C SER A 51 9.459 -16.466 -5.554 1.00 0.00 C ATOM 796 O SER A 51 8.637 -16.046 -6.376 1.00 0.00 O ATOM 797 CB SER A 51 9.346 -16.655 -2.985 1.00 0.00 C ATOM 798 OG SER A 51 9.324 -15.896 -1.783 1.00 0.00 O ATOM 0 H SER A 51 7.783 -14.910 -4.542 1.00 0.00 H new ATOM 0 HA SER A 51 10.665 -15.460 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.391 -17.164 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.112 -17.427 -2.916 1.00 0.00 H new ATOM 0 HG SER A 51 9.144 -16.490 -1.024 1.00 0.00 H new ATOM 804 N ASP A 52 10.233 -17.524 -5.799 1.00 0.00 N ATOM 805 CA ASP A 52 10.342 -18.254 -7.068 1.00 0.00 C ATOM 806 C ASP A 52 9.047 -18.333 -7.876 1.00 0.00 C ATOM 807 O ASP A 52 9.002 -17.846 -9.012 1.00 0.00 O ATOM 808 CB ASP A 52 10.841 -19.683 -6.810 1.00 0.00 C ATOM 809 CG ASP A 52 12.293 -19.694 -6.363 1.00 0.00 C ATOM 810 OD1 ASP A 52 12.533 -19.528 -5.146 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.196 -19.839 -7.217 1.00 0.00 O ATOM 0 H ASP A 52 10.836 -17.919 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 52 11.049 -17.679 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.221 -20.154 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.734 -20.276 -7.718 1.00 0.00 H new ATOM 816 N ASN A 53 7.973 -18.840 -7.267 1.00 0.00 N ATOM 817 CA ASN A 53 6.646 -18.956 -7.860 1.00 0.00 C ATOM 818 C ASN A 53 5.573 -18.589 -6.829 1.00 0.00 C ATOM 819 O ASN A 53 4.401 -18.913 -7.020 1.00 0.00 O ATOM 820 CB ASN A 53 6.443 -20.384 -8.400 1.00 0.00 C ATOM 821 CG ASN A 53 7.288 -20.664 -9.635 1.00 0.00 C ATOM 822 OD1 ASN A 53 8.471 -20.965 -9.529 1.00 0.00 O ATOM 823 ND2 ASN A 53 6.729 -20.595 -10.832 1.00 0.00 N ATOM 0 H ASN A 53 8.009 -19.194 -6.311 1.00 0.00 H new ATOM 0 HA ASN A 53 6.557 -18.260 -8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.695 -21.103 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.391 -20.532 -8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.283 -20.792 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.744 -20.345 -10.921 1.00 0.00 H new ATOM 830 N ALA A 54 5.943 -17.944 -5.717 1.00 0.00 N ATOM 831 CA ALA A 54 5.017 -17.631 -4.641 1.00 0.00 C ATOM 832 C ALA A 54 5.047 -16.130 -4.453 1.00 0.00 C ATOM 833 O ALA A 54 6.098 -15.512 -4.620 1.00 0.00 O ATOM 834 CB ALA A 54 5.414 -18.368 -3.357 1.00 0.00 C ATOM 0 H ALA A 54 6.897 -17.627 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 54 4.006 -17.958 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.709 -18.121 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.398 -19.443 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.417 -18.064 -3.059 1.00 0.00 H new ATOM 840 N VAL A 55 3.910 -15.545 -4.112 1.00 0.00 N ATOM 841 CA VAL A 55 3.831 -14.130 -3.797 1.00 0.00 C ATOM 842 C VAL A 55 2.982 -14.064 -2.540 1.00 0.00 C ATOM 843 O VAL A 55 1.758 -14.151 -2.606 1.00 0.00 O ATOM 844 CB VAL A 55 3.263 -13.355 -5.004 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.172 -11.861 -4.707 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.123 -13.520 -6.270 1.00 0.00 C ATOM 0 H VAL A 55 3.019 -16.037 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 55 4.794 -13.657 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 55 2.273 -13.777 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.768 -11.341 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.517 -11.699 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.166 -11.474 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.678 -12.954 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.129 -13.148 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.171 -14.574 -6.542 1.00 0.00 H new ATOM 856 N CYS A 56 3.624 -13.936 -1.381 1.00 0.00 N ATOM 857 CA CYS A 56 2.932 -13.994 -0.106 1.00 0.00 C ATOM 858 C CYS A 56 2.566 -12.581 0.324 1.00 0.00 C ATOM 859 O CYS A 56 3.404 -11.680 0.286 1.00 0.00 O ATOM 860 CB CYS A 56 3.809 -14.694 0.933 1.00 0.00 C ATOM 861 SG CYS A 56 4.184 -16.375 0.353 1.00 0.00 S ATOM 0 H CYS A 56 4.631 -13.790 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 56 2.014 -14.573 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.731 -14.134 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.296 -14.733 1.894 1.00 0.00 H new ATOM 0 HG CYS A 56 4.932 -16.979 1.228 1.00 0.00 H new ATOM 867 N LEU A 57 1.335 -12.379 0.778 1.00 0.00 N ATOM 868 CA LEU A 57 0.825 -11.081 1.198 1.00 0.00 C ATOM 869 C LEU A 57 0.839 -10.985 2.713 1.00 0.00 C ATOM 870 O LEU A 57 0.040 -11.612 3.403 1.00 0.00 O ATOM 871 CB LEU A 57 -0.554 -10.798 0.577 1.00 0.00 C ATOM 872 CG LEU A 57 -0.362 -10.028 -0.740 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.625 -9.995 -1.591 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.005 -8.571 -0.458 1.00 0.00 C ATOM 0 H LEU A 57 0.650 -13.129 0.866 1.00 0.00 H new ATOM 0 HA LEU A 57 1.481 -10.294 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.083 -11.733 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.165 -10.217 1.267 1.00 0.00 H new ATOM 0 HG LEU A 57 0.429 -10.553 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.431 -9.439 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.922 -11.014 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.426 -9.509 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.137 -8.040 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.793 -8.099 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.933 -8.533 0.113 1.00 0.00 H new ATOM 886 N HIS A 58 1.800 -10.229 3.232 1.00 0.00 N ATOM 887 CA HIS A 58 2.013 -10.071 4.668 1.00 0.00 C ATOM 888 C HIS A 58 1.095 -8.950 5.169 1.00 0.00 C ATOM 889 O HIS A 58 1.430 -7.777 4.995 1.00 0.00 O ATOM 890 CB HIS A 58 3.500 -9.773 4.930 1.00 0.00 C ATOM 891 CG HIS A 58 4.500 -10.872 4.599 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.565 -11.282 5.391 1.00 0.00 N ATOM 893 CD2 HIS A 58 4.595 -11.555 3.412 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.269 -12.189 4.691 1.00 0.00 C ATOM 895 NE2 HIS A 58 5.678 -12.408 3.509 1.00 0.00 N ATOM 0 H HIS A 58 2.461 -9.702 2.662 1.00 0.00 H new ATOM 0 HA HIS A 58 1.766 -10.983 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.772 -8.886 4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.613 -9.520 5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.943 -11.446 2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.175 -12.669 5.031 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.975 -13.084 2.805 1.00 0.00 H new ATOM 904 N LEU A 59 -0.080 -9.287 5.712 1.00 0.00 N ATOM 905 CA LEU A 59 -1.098 -8.355 6.212 1.00 0.00 C ATOM 906 C LEU A 59 -0.810 -8.019 7.678 1.00 0.00 C ATOM 907 O LEU A 59 -0.139 -8.786 8.362 1.00 0.00 O ATOM 908 CB LEU A 59 -2.498 -8.999 6.067 1.00 0.00 C ATOM 909 CG LEU A 59 -3.669 -7.981 6.092 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.343 -7.827 4.725 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.781 -8.392 7.052 1.00 0.00 C ATOM 0 H LEU A 59 -0.361 -10.262 5.820 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.073 -7.433 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.535 -9.556 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.640 -9.720 6.872 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.201 -7.049 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.155 -7.103 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.612 -7.478 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.743 -8.790 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.575 -7.645 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.184 -9.359 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.380 -8.466 8.063 1.00 0.00 H new ATOM 923 N ARG A 60 -1.328 -6.903 8.198 1.00 0.00 N ATOM 924 CA ARG A 60 -1.151 -6.572 9.611 1.00 0.00 C ATOM 925 C ARG A 60 -1.986 -7.480 10.484 1.00 0.00 C ATOM 926 O ARG A 60 -3.181 -7.635 10.229 1.00 0.00 O ATOM 927 CB ARG A 60 -1.592 -5.130 9.913 1.00 0.00 C ATOM 928 CG ARG A 60 -0.472 -4.109 9.765 1.00 0.00 C ATOM 929 CD ARG A 60 0.203 -4.088 8.395 1.00 0.00 C ATOM 930 NE ARG A 60 -0.647 -3.361 7.441 1.00 0.00 N ATOM 931 CZ ARG A 60 -0.673 -2.028 7.336 1.00 0.00 C ATOM 932 NH1 ARG A 60 0.230 -1.308 7.997 1.00 0.00 N ATOM 933 NH2 ARG A 60 -1.592 -1.423 6.589 1.00 0.00 N ATOM 0 H ARG A 60 -1.868 -6.220 7.666 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.089 -6.694 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.409 -4.861 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.984 -5.083 10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.875 -3.117 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.285 -4.309 10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.180 -3.609 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.372 -5.106 8.045 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.251 -3.904 6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.930 -1.774 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.222 -0.290 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.287 -1.976 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.602 -0.406 6.517 1.00 0.00 H new ATOM 947 N SER A 61 -1.408 -7.936 11.591 1.00 0.00 N ATOM 948 CA SER A 61 -2.128 -8.701 12.599 1.00 0.00 C ATOM 949 C SER A 61 -3.259 -7.842 13.185 1.00 0.00 C ATOM 950 O SER A 61 -4.283 -8.372 13.608 1.00 0.00 O ATOM 951 CB SER A 61 -1.154 -9.121 13.708 1.00 0.00 C ATOM 952 OG SER A 61 0.106 -9.485 13.180 1.00 0.00 O ATOM 0 H SER A 61 -0.424 -7.784 11.813 1.00 0.00 H new ATOM 0 HA SER A 61 -2.560 -9.593 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.030 -8.301 14.415 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.573 -9.960 14.263 1.00 0.00 H new ATOM 0 HG SER A 61 0.704 -9.746 13.911 1.00 0.00 H new ATOM 958 N SER A 62 -3.103 -6.514 13.178 1.00 0.00 N ATOM 959 CA SER A 62 -4.097 -5.586 13.696 1.00 0.00 C ATOM 960 C SER A 62 -5.332 -5.534 12.793 1.00 0.00 C ATOM 961 O SER A 62 -6.465 -5.596 13.272 1.00 0.00 O ATOM 962 CB SER A 62 -3.462 -4.199 13.825 1.00 0.00 C ATOM 963 OG SER A 62 -2.292 -4.303 14.608 1.00 0.00 O ATOM 0 H SER A 62 -2.271 -6.054 12.807 1.00 0.00 H new ATOM 0 HA SER A 62 -4.428 -5.930 14.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.222 -3.801 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.164 -3.504 14.286 1.00 0.00 H new ATOM 0 HG SER A 62 -1.523 -3.981 14.092 1.00 0.00 H new ATOM 969 N GLN A 63 -5.119 -5.459 11.477 1.00 0.00 N ATOM 970 CA GLN A 63 -6.159 -5.289 10.465 1.00 0.00 C ATOM 971 C GLN A 63 -6.572 -6.661 9.904 1.00 0.00 C ATOM 972 O GLN A 63 -7.178 -6.751 8.833 1.00 0.00 O ATOM 973 CB GLN A 63 -5.670 -4.285 9.394 1.00 0.00 C ATOM 974 CG GLN A 63 -5.841 -2.798 9.774 1.00 0.00 C ATOM 975 CD GLN A 63 -5.235 -2.384 11.116 1.00 0.00 C ATOM 976 OE1 GLN A 63 -5.865 -2.534 12.163 1.00 0.00 O ATOM 977 NE2 GLN A 63 -4.026 -1.850 11.142 1.00 0.00 N ATOM 0 H GLN A 63 -4.183 -5.517 11.075 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.063 -4.861 10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.616 -4.475 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.211 -4.473 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.393 -2.188 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.906 -2.566 9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.504 -1.726 10.274 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.615 -1.562 12.030 1.00 0.00 H new ATOM 986 N ARG A 64 -6.303 -7.749 10.644 1.00 0.00 N ATOM 987 CA ARG A 64 -6.533 -9.122 10.193 1.00 0.00 C ATOM 988 C ARG A 64 -7.986 -9.387 9.819 1.00 0.00 C ATOM 989 O ARG A 64 -8.219 -10.334 9.072 1.00 0.00 O ATOM 990 CB ARG A 64 -6.054 -10.130 11.249 1.00 0.00 C ATOM 991 CG ARG A 64 -6.884 -10.076 12.543 1.00 0.00 C ATOM 992 CD ARG A 64 -6.538 -11.193 13.521 1.00 0.00 C ATOM 993 NE ARG A 64 -5.231 -10.999 14.163 1.00 0.00 N ATOM 994 CZ ARG A 64 -4.340 -11.957 14.429 1.00 0.00 C ATOM 995 NH1 ARG A 64 -4.428 -13.145 13.844 1.00 0.00 N ATOM 996 NH2 ARG A 64 -3.361 -11.708 15.285 1.00 0.00 N ATOM 0 H ARG A 64 -5.914 -7.693 11.585 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.946 -9.253 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.103 -11.136 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.008 -9.933 11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.726 -9.113 13.029 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.943 -10.136 12.291 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.310 -11.251 14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.541 -12.147 12.993 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.982 -10.047 14.430 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.182 -13.334 13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.742 -13.869 14.055 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.295 -10.794 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.673 -12.431 15.498 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.945 -8.559 10.254 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.350 -8.634 9.859 1.00 0.00 C ATOM 1012 C HIS A 65 -10.529 -8.772 8.348 1.00 0.00 C ATOM 1013 O HIS A 65 -11.550 -9.303 7.923 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.096 -7.383 10.356 1.00 0.00 C ATOM 1015 CG HIS A 65 -12.587 -7.416 10.091 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -13.267 -6.838 9.026 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -13.498 -8.095 10.851 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -14.562 -7.188 9.140 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -14.726 -7.944 10.240 1.00 0.00 N ATOM 0 H HIS A 65 -8.756 -7.799 10.908 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.767 -9.531 10.318 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.929 -7.273 11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.670 -6.502 9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.295 -8.645 11.758 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.347 -6.905 8.454 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.608 -8.339 10.567 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.596 -8.284 7.528 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.725 -8.352 6.075 1.00 0.00 C ATOM 1030 C LEU A 66 -9.138 -9.652 5.506 1.00 0.00 C ATOM 1031 O LEU A 66 -9.558 -10.064 4.429 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.094 -7.093 5.438 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.991 -5.837 5.391 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.196 -6.033 4.466 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.479 -5.396 6.774 1.00 0.00 C ATOM 0 H LEU A 66 -8.739 -7.835 7.850 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.784 -8.370 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.187 -6.847 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.792 -7.338 4.420 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.356 -5.046 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.802 -5.127 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.848 -6.243 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.797 -6.869 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.104 -4.509 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.059 -6.199 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.621 -5.166 7.406 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.204 -10.323 6.194 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.607 -11.574 5.710 1.00 0.00 C ATOM 1049 C ASN A 67 -8.604 -12.722 5.838 1.00 0.00 C ATOM 1050 O ASN A 67 -8.744 -13.307 6.920 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.298 -11.930 6.438 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.754 -13.318 6.089 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.040 -13.882 5.033 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.922 -13.863 6.958 1.00 0.00 N ATOM 0 H ASN A 67 -7.843 -10.015 7.097 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.359 -11.418 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.543 -11.182 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.465 -11.876 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.501 -14.771 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.700 -13.376 7.826 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.305 -13.028 4.747 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.201 -14.179 4.657 1.00 0.00 C ATOM 1063 C ASN A 68 -9.952 -15.001 3.388 1.00 0.00 C ATOM 1064 O ASN A 68 -9.324 -14.528 2.434 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.664 -13.755 4.842 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.303 -13.137 3.609 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.476 -13.805 2.599 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -12.710 -11.887 3.680 1.00 0.00 N ATOM 0 H ASN A 68 -9.266 -12.476 3.890 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.974 -14.853 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.247 -14.627 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.721 -13.039 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.180 -11.458 2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.556 -11.348 4.532 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.450 -16.242 3.377 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.249 -17.219 2.304 1.00 0.00 C ATOM 1077 C ARG A 69 -10.799 -16.704 0.977 1.00 0.00 C ATOM 1078 O ARG A 69 -10.123 -16.802 -0.045 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.946 -18.544 2.680 1.00 0.00 C ATOM 1080 CG ARG A 69 -10.137 -19.475 3.601 1.00 0.00 C ATOM 1081 CD ARG A 69 -8.965 -20.108 2.841 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.536 -21.402 3.403 1.00 0.00 N ATOM 1083 CZ ARG A 69 -7.920 -22.387 2.730 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -7.700 -22.290 1.424 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.516 -23.477 3.365 1.00 0.00 N ATOM 0 H ARG A 69 -11.022 -16.605 4.140 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.178 -17.384 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.893 -18.312 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.183 -19.084 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.761 -18.912 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.786 -20.257 3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.251 -20.249 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.121 -19.418 2.849 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.724 -21.563 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.000 -21.458 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.231 -23.048 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.673 -23.570 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.048 -24.223 2.850 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.005 -16.145 0.975 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.635 -15.634 -0.228 1.00 0.00 C ATOM 1101 C GLY A 70 -11.836 -14.476 -0.806 1.00 0.00 C ATOM 1102 O GLY A 70 -11.743 -14.360 -2.032 1.00 0.00 O ATOM 0 H GLY A 70 -12.573 -16.035 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.716 -16.430 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.649 -15.305 -0.001 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.242 -13.629 0.043 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.369 -12.579 -0.436 1.00 0.00 C ATOM 1108 C ALA A 71 -9.158 -13.215 -1.103 1.00 0.00 C ATOM 1109 O ALA A 71 -8.876 -12.886 -2.249 1.00 0.00 O ATOM 1110 CB ALA A 71 -9.955 -11.641 0.698 1.00 0.00 C ATOM 0 H ALA A 71 -11.356 -13.659 1.056 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.902 -11.969 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.300 -10.863 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.843 -11.182 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.427 -12.208 1.465 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.484 -14.147 -0.418 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.272 -14.803 -0.888 1.00 0.00 C ATOM 1118 C GLN A 72 -7.491 -15.413 -2.265 1.00 0.00 C ATOM 1119 O GLN A 72 -6.675 -15.191 -3.151 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.838 -15.886 0.122 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.573 -16.657 -0.307 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.207 -17.781 0.662 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -6.047 -18.285 1.409 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -3.970 -18.245 0.631 1.00 0.00 N ATOM 0 H GLN A 72 -8.780 -14.470 0.503 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.479 -14.059 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.658 -15.418 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.656 -16.593 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.728 -17.077 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.737 -15.961 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.282 -17.821 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.704 -19.027 1.229 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.574 -16.167 -2.453 1.00 0.00 N ATOM 1134 CA GLN A 73 -8.860 -16.861 -3.694 1.00 0.00 C ATOM 1135 C GLN A 73 -8.988 -15.856 -4.835 1.00 0.00 C ATOM 1136 O GLN A 73 -8.351 -16.007 -5.879 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.161 -17.648 -3.516 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.007 -18.905 -2.657 1.00 0.00 C ATOM 1139 CD GLN A 73 -9.327 -20.039 -3.420 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -8.144 -20.323 -3.233 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -10.051 -20.732 -4.282 1.00 0.00 N ATOM 0 H GLN A 73 -9.283 -16.310 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.049 -17.547 -3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.909 -16.998 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.540 -17.933 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.425 -18.667 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.989 -19.234 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.031 -20.493 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.630 -21.506 -4.796 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.794 -14.808 -4.639 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.989 -13.820 -5.688 1.00 0.00 C ATOM 1152 C LYS A 74 -8.705 -13.030 -5.940 1.00 0.00 C ATOM 1153 O LYS A 74 -8.427 -12.682 -7.090 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.192 -12.937 -5.327 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.698 -12.072 -6.493 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.146 -12.922 -7.693 1.00 0.00 C ATOM 1157 CE LYS A 74 -12.835 -12.043 -8.731 1.00 0.00 C ATOM 1158 NZ LYS A 74 -13.132 -12.768 -9.984 1.00 0.00 N ATOM 0 H LYS A 74 -10.311 -14.629 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.217 -14.313 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.006 -13.573 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.917 -12.287 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.532 -11.458 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.908 -11.390 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.284 -13.417 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.826 -13.706 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.763 -11.653 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.200 -11.185 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.717 -12.169 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.242 -13.000 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.646 -13.645 -9.764 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.902 -12.774 -4.904 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.603 -12.128 -5.032 1.00 0.00 C ATOM 1174 C LEU A 75 -5.662 -13.027 -5.843 1.00 0.00 C ATOM 1175 O LEU A 75 -4.909 -12.526 -6.672 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.034 -11.841 -3.626 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.315 -10.495 -3.444 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -5.006 -10.309 -1.956 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.067 -10.270 -4.298 1.00 0.00 C ATOM 0 H LEU A 75 -8.143 -13.015 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.704 -11.180 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.853 -11.891 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.337 -12.639 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.004 -9.735 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.495 -9.358 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.936 -10.314 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.367 -11.122 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.650 -9.287 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.327 -11.037 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.333 -10.326 -5.353 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.717 -14.348 -5.633 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.809 -15.322 -6.229 1.00 0.00 C ATOM 1193 C ALA A 76 -4.985 -15.357 -7.732 1.00 0.00 C ATOM 1194 O ALA A 76 -3.993 -15.363 -8.450 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.017 -16.714 -5.623 1.00 0.00 C ATOM 0 H ALA A 76 -6.416 -14.776 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.787 -15.014 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.327 -17.419 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.830 -16.675 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.042 -17.039 -5.801 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.226 -15.334 -8.207 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.579 -15.242 -9.617 1.00 0.00 C ATOM 1203 C GLU A 77 -5.942 -13.995 -10.241 1.00 0.00 C ATOM 1204 O GLU A 77 -5.359 -14.072 -11.324 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.115 -15.189 -9.659 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.761 -14.932 -11.024 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.222 -14.526 -10.820 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.045 -15.367 -10.389 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.561 -13.336 -11.034 1.00 0.00 O ATOM 0 H GLU A 77 -7.042 -15.381 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.210 -16.090 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.498 -16.134 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.447 -14.409 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.223 -14.145 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.703 -15.828 -11.642 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.026 -12.851 -9.558 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.466 -11.603 -10.055 1.00 0.00 C ATOM 1218 C ALA A 78 -3.933 -11.673 -10.072 1.00 0.00 C ATOM 1219 O ALA A 78 -3.312 -11.335 -11.076 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.987 -10.426 -9.221 1.00 0.00 C ATOM 0 H ALA A 78 -6.483 -12.769 -8.650 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.789 -11.443 -11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.563 -9.496 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.074 -10.384 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.695 -10.560 -8.180 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.301 -12.153 -8.997 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.850 -12.319 -8.942 1.00 0.00 C ATOM 1228 C LEU A 79 -1.351 -13.342 -9.968 1.00 0.00 C ATOM 1229 O LEU A 79 -0.279 -13.180 -10.546 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.414 -12.703 -7.514 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.600 -11.570 -6.870 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.433 -11.803 -5.372 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.777 -11.450 -7.518 1.00 0.00 C ATOM 0 H LEU A 79 -3.782 -12.436 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.393 -11.364 -9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.293 -12.917 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.817 -13.615 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.151 -10.643 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.147 -10.988 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.414 -11.842 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.088 -12.746 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.333 -10.641 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.321 -12.386 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.662 -11.237 -8.581 1.00 0.00 H new ATOM 1245 N SER A 80 -2.140 -14.376 -10.236 1.00 0.00 N ATOM 1246 CA SER A 80 -1.861 -15.360 -11.268 1.00 0.00 C ATOM 1247 C SER A 80 -1.907 -14.689 -12.647 1.00 0.00 C ATOM 1248 O SER A 80 -1.046 -14.926 -13.489 1.00 0.00 O ATOM 1249 CB SER A 80 -2.869 -16.503 -11.134 1.00 0.00 C ATOM 1250 OG SER A 80 -2.695 -17.157 -9.886 1.00 0.00 O ATOM 0 H SER A 80 -3.008 -14.555 -9.731 1.00 0.00 H new ATOM 0 HA SER A 80 -0.861 -15.777 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.885 -16.115 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.736 -17.214 -11.949 1.00 0.00 H new ATOM 0 HG SER A 80 -2.824 -16.513 -9.158 1.00 0.00 H new ATOM 1256 N MET A 81 -2.852 -13.772 -12.868 1.00 0.00 N ATOM 1257 CA MET A 81 -2.930 -12.980 -14.090 1.00 0.00 C ATOM 1258 C MET A 81 -1.692 -12.076 -14.210 1.00 0.00 C ATOM 1259 O MET A 81 -1.150 -11.909 -15.306 1.00 0.00 O ATOM 1260 CB MET A 81 -4.246 -12.189 -14.069 1.00 0.00 C ATOM 1261 CG MET A 81 -4.753 -11.818 -15.461 1.00 0.00 C ATOM 1262 SD MET A 81 -6.395 -11.043 -15.435 1.00 0.00 S ATOM 1263 CE MET A 81 -7.451 -12.455 -15.004 1.00 0.00 C ATOM 0 H MET A 81 -3.589 -13.559 -12.196 1.00 0.00 H new ATOM 0 HA MET A 81 -2.932 -13.619 -14.973 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.007 -12.778 -13.558 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.105 -11.278 -13.487 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.043 -11.137 -15.931 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.790 -12.715 -16.079 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.494 -12.200 -15.192 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.173 -13.316 -15.611 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.321 -12.698 -13.949 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.189 -11.559 -13.082 1.00 0.00 N ATOM 1274 CA LEU A 82 0.005 -10.717 -13.001 1.00 0.00 C ATOM 1275 C LEU A 82 1.264 -11.480 -13.416 1.00 0.00 C ATOM 1276 O LEU A 82 2.119 -10.920 -14.105 1.00 0.00 O ATOM 1277 CB LEU A 82 0.172 -10.191 -11.564 1.00 0.00 C ATOM 1278 CG LEU A 82 1.128 -8.999 -11.388 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.658 -7.723 -12.099 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.247 -8.737 -9.882 1.00 0.00 C ATOM 0 H LEU A 82 -1.619 -11.723 -12.171 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.127 -9.884 -13.691 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.809 -9.902 -11.188 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.525 -11.010 -10.937 1.00 0.00 H new ATOM 0 HG LEU A 82 2.085 -9.255 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.381 -6.925 -11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.570 -7.914 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.312 -7.422 -11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.919 -7.896 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.263 -8.504 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.644 -9.624 -9.389 1.00 0.00 H new ATOM 1292 N LYS A 83 1.415 -12.739 -12.986 1.00 0.00 N ATOM 1293 CA LYS A 83 2.550 -13.581 -13.385 1.00 0.00 C ATOM 1294 C LYS A 83 2.315 -14.234 -14.753 1.00 0.00 C ATOM 1295 O LYS A 83 3.273 -14.662 -15.387 1.00 0.00 O ATOM 1296 CB LYS A 83 2.836 -14.620 -12.285 1.00 0.00 C ATOM 1297 CG LYS A 83 4.166 -15.371 -12.492 1.00 0.00 C ATOM 1298 CD LYS A 83 4.711 -15.978 -11.188 1.00 0.00 C ATOM 1299 CE LYS A 83 6.081 -16.655 -11.359 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.179 -15.698 -11.610 1.00 0.00 N ATOM 0 H LYS A 83 0.759 -13.200 -12.356 1.00 0.00 H new ATOM 0 HA LYS A 83 3.433 -12.952 -13.497 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.856 -14.119 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.020 -15.341 -12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.021 -16.165 -13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.905 -14.686 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.793 -15.193 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.997 -16.709 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.308 -17.231 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.028 -17.362 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.074 -16.217 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.983 -15.165 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.254 -15.038 -10.810 1.00 0.00 H new ATOM 1314 N GLY A 84 1.065 -14.317 -15.209 1.00 0.00 N ATOM 1315 CA GLY A 84 0.644 -15.005 -16.423 1.00 0.00 C ATOM 1316 C GLY A 84 0.352 -16.488 -16.180 1.00 0.00 C ATOM 1317 O GLY A 84 -0.353 -17.114 -16.974 1.00 0.00 O ATOM 0 H GLY A 84 0.284 -13.885 -14.716 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.249 -14.522 -16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.422 -14.910 -17.180 1.00 0.00 H new ATOM 1321 N SER A 85 0.845 -17.056 -15.080 1.00 0.00 N ATOM 1322 CA SER A 85 0.599 -18.422 -14.646 1.00 0.00 C ATOM 1323 C SER A 85 0.436 -18.433 -13.128 1.00 0.00 C ATOM 1324 O SER A 85 0.405 -17.383 -12.491 1.00 0.00 O ATOM 1325 CB SER A 85 1.737 -19.334 -15.118 1.00 0.00 C ATOM 1326 OG SER A 85 1.810 -19.306 -16.523 1.00 0.00 O ATOM 0 H SER A 85 1.455 -16.548 -14.440 1.00 0.00 H new ATOM 0 HA SER A 85 -0.320 -18.807 -15.089 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.683 -19.005 -14.688 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.567 -20.354 -14.772 1.00 0.00 H new ATOM 0 HG SER A 85 2.539 -19.888 -16.824 1.00 0.00 H new ATOM 1332 N THR A 86 0.311 -19.628 -12.563 1.00 0.00 N ATOM 1333 CA THR A 86 0.065 -19.897 -11.159 1.00 0.00 C ATOM 1334 C THR A 86 1.010 -19.100 -10.253 1.00 0.00 C ATOM 1335 O THR A 86 2.194 -18.921 -10.555 1.00 0.00 O ATOM 1336 CB THR A 86 0.244 -21.414 -10.965 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.389 -22.105 -12.036 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.316 -21.938 -9.641 1.00 0.00 C ATOM 0 H THR A 86 0.384 -20.485 -13.111 1.00 0.00 H new ATOM 0 HA THR A 86 -0.941 -19.585 -10.879 1.00 0.00 H new ATOM 0 HB THR A 86 1.319 -21.596 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.275 -23.071 -11.915 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.153 -23.014 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.190 -21.444 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.385 -21.730 -9.590 1.00 0.00 H new ATOM 1346 N VAL A 87 0.470 -18.639 -9.130 1.00 0.00 N ATOM 1347 CA VAL A 87 1.181 -17.973 -8.062 1.00 0.00 C ATOM 1348 C VAL A 87 0.681 -18.607 -6.778 1.00 0.00 C ATOM 1349 O VAL A 87 -0.531 -18.758 -6.599 1.00 0.00 O ATOM 1350 CB VAL A 87 0.874 -16.464 -8.093 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.364 -15.748 -6.831 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.548 -15.808 -9.296 1.00 0.00 C ATOM 0 H VAL A 87 -0.528 -18.728 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 87 2.262 -18.080 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.210 -16.371 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.125 -14.687 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.873 -16.175 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.443 -15.872 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.321 -14.742 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.627 -15.949 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.178 -16.264 -10.214 1.00 0.00 H new ATOM 1362 N GLU A 88 1.600 -18.998 -5.902 1.00 0.00 N ATOM 1363 CA GLU A 88 1.283 -19.490 -4.575 1.00 0.00 C ATOM 1364 C GLU A 88 1.083 -18.228 -3.750 1.00 0.00 C ATOM 1365 O GLU A 88 2.047 -17.610 -3.299 1.00 0.00 O ATOM 1366 CB GLU A 88 2.404 -20.394 -4.044 1.00 0.00 C ATOM 1367 CG GLU A 88 2.140 -21.858 -4.410 1.00 0.00 C ATOM 1368 CD GLU A 88 1.424 -22.587 -3.274 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.172 -22.584 -3.229 1.00 0.00 O ATOM 1370 OE2 GLU A 88 2.109 -23.186 -2.406 1.00 0.00 O ATOM 0 H GLU A 88 2.600 -18.980 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 88 0.394 -20.121 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.361 -20.077 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.477 -20.292 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.536 -21.907 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.084 -22.357 -4.629 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.165 -17.772 -3.676 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.526 -16.586 -2.929 1.00 0.00 C ATOM 1379 C LEU A 89 -0.931 -17.029 -1.540 1.00 0.00 C ATOM 1380 O LEU A 89 -2.036 -17.543 -1.345 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.608 -15.783 -3.654 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.235 -14.688 -2.771 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.300 -13.683 -2.111 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.159 -13.852 -3.629 1.00 0.00 C ATOM 0 H LEU A 89 -0.954 -18.223 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 89 0.319 -15.902 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.177 -15.323 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.391 -16.461 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.701 -15.258 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.884 -12.975 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.602 -14.209 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.744 -13.145 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.613 -13.070 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.590 -13.396 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.941 -14.486 -4.047 1.00 0.00 H new ATOM 1396 N THR A 90 -0.045 -16.830 -0.580 1.00 0.00 N ATOM 1397 CA THR A 90 -0.331 -17.090 0.817 1.00 0.00 C ATOM 1398 C THR A 90 -0.608 -15.724 1.426 1.00 0.00 C ATOM 1399 O THR A 90 -0.104 -14.714 0.941 1.00 0.00 O ATOM 1400 CB THR A 90 0.877 -17.780 1.465 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.334 -18.821 0.622 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.557 -18.395 2.824 1.00 0.00 C ATOM 0 H THR A 90 0.898 -16.481 -0.750 1.00 0.00 H new ATOM 0 HA THR A 90 -1.181 -17.755 0.967 1.00 0.00 H new ATOM 0 HB THR A 90 1.633 -17.007 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.106 -19.261 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.452 -18.867 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.218 -17.615 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.228 -19.143 2.709 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.391 -15.667 2.487 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.626 -14.446 3.242 1.00 0.00 C ATOM 1412 C ILE A 91 -1.026 -14.799 4.598 1.00 0.00 C ATOM 1413 O ILE A 91 -1.293 -15.890 5.115 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.125 -14.074 3.336 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.938 -14.327 2.046 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.263 -12.601 3.772 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.587 -13.425 0.860 1.00 0.00 C ATOM 0 H ILE A 91 -1.889 -16.477 2.855 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.185 -13.561 2.782 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.555 -14.744 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.796 -15.365 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.997 -14.203 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.319 -12.339 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.793 -12.464 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.775 -11.958 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.214 -13.685 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.758 -12.383 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.539 -13.564 0.595 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.188 -13.939 5.149 1.00 0.00 N ATOM 1430 CA VAL A 92 0.397 -14.127 6.474 1.00 0.00 C ATOM 1431 C VAL A 92 0.100 -12.880 7.305 1.00 0.00 C ATOM 1432 O VAL A 92 -0.358 -11.878 6.749 1.00 0.00 O ATOM 1433 CB VAL A 92 1.890 -14.510 6.365 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.073 -15.816 5.577 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.747 -13.427 5.703 1.00 0.00 C ATOM 0 H VAL A 92 0.112 -13.080 4.688 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.052 -14.970 6.999 1.00 0.00 H new ATOM 0 HB VAL A 92 2.228 -14.633 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.134 -16.059 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.543 -16.623 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.672 -15.693 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.784 -13.760 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.382 -13.241 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.686 -12.508 6.286 1.00 0.00 H new ATOM 1445 N GLU A 93 0.323 -12.923 8.618 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.038 -11.844 9.518 1.00 0.00 C ATOM 1447 C GLU A 93 1.151 -11.401 10.369 1.00 0.00 C ATOM 1448 O GLU A 93 1.614 -12.136 11.245 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.286 -12.190 10.348 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.262 -13.530 11.103 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.207 -14.563 10.485 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -3.400 -14.594 10.868 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -1.773 -15.406 9.668 1.00 0.00 O ATOM 0 H GLU A 93 0.763 -13.716 9.084 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.312 -10.980 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.444 -11.393 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.149 -12.190 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.246 -13.925 11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.540 -13.363 12.144 1.00 0.00 H new ATOM 1460 N ASP A 94 1.704 -10.228 10.065 1.00 0.00 N ATOM 1461 CA ASP A 94 2.750 -9.575 10.843 1.00 0.00 C ATOM 1462 C ASP A 94 2.428 -8.090 10.830 1.00 0.00 C ATOM 1463 O ASP A 94 2.346 -7.471 9.768 1.00 0.00 O ATOM 1464 CB ASP A 94 4.174 -9.853 10.355 1.00 0.00 C ATOM 1465 CG ASP A 94 5.202 -9.370 11.392 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.018 -8.326 12.057 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.219 -10.063 11.599 1.00 0.00 O ATOM 0 H ASP A 94 1.426 -9.691 9.244 1.00 0.00 H new ATOM 0 HA ASP A 94 2.749 -9.983 11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.302 -10.921 10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.344 -9.349 9.404 1.00 0.00 H new ATOM 1472 N ASP A 95 2.159 -7.537 12.008 1.00 0.00 N ATOM 1473 CA ASP A 95 1.783 -6.147 12.188 1.00 0.00 C ATOM 1474 C ASP A 95 2.864 -5.177 11.700 1.00 0.00 C ATOM 1475 O ASP A 95 2.540 -4.128 11.143 1.00 0.00 O ATOM 1476 CB ASP A 95 1.429 -5.920 13.651 1.00 0.00 C ATOM 1477 CG ASP A 95 0.872 -4.526 13.888 1.00 0.00 C ATOM 1478 OD1 ASP A 95 -0.145 -4.169 13.248 1.00 0.00 O ATOM 1479 OD2 ASP A 95 1.363 -3.836 14.810 1.00 0.00 O ATOM 0 H ASP A 95 2.199 -8.059 12.883 1.00 0.00 H new ATOM 0 HA ASP A 95 0.910 -5.938 11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.696 -6.663 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.317 -6.066 14.266 1.00 0.00 H new ATOM 1522 N VAL A 99 8.512 -3.909 6.237 1.00 0.00 N ATOM 1523 CA VAL A 99 8.067 -3.450 4.920 1.00 0.00 C ATOM 1524 C VAL A 99 6.753 -2.684 5.094 1.00 0.00 C ATOM 1525 O VAL A 99 6.006 -2.937 6.042 1.00 0.00 O ATOM 1526 CB VAL A 99 7.916 -4.658 3.967 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.635 -4.238 2.515 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.110 -5.630 3.979 1.00 0.00 C ATOM 0 HA VAL A 99 8.802 -2.780 4.473 1.00 0.00 H new ATOM 0 HB VAL A 99 7.052 -5.188 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.538 -5.127 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.709 -3.664 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.458 -3.625 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.921 -6.447 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.014 -5.100 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.242 -6.032 4.983 1.00 0.00 H new ATOM 1538 N ARG A 100 6.474 -1.742 4.189 1.00 0.00 N ATOM 1539 CA ARG A 100 5.252 -0.943 4.182 1.00 0.00 C ATOM 1540 C ARG A 100 4.287 -1.551 3.171 1.00 0.00 C ATOM 1541 O ARG A 100 4.716 -2.082 2.148 1.00 0.00 O ATOM 1542 CB ARG A 100 5.562 0.514 3.781 1.00 0.00 C ATOM 1543 CG ARG A 100 6.215 1.369 4.881 1.00 0.00 C ATOM 1544 CD ARG A 100 7.704 1.067 5.123 1.00 0.00 C ATOM 1545 NE ARG A 100 8.233 1.840 6.257 1.00 0.00 N ATOM 1546 CZ ARG A 100 8.775 3.062 6.247 1.00 0.00 C ATOM 1547 NH1 ARG A 100 9.022 3.695 5.104 1.00 0.00 N ATOM 1548 NH2 ARG A 100 9.063 3.639 7.405 1.00 0.00 N ATOM 0 H ARG A 100 7.108 -1.511 3.424 1.00 0.00 H new ATOM 0 HA ARG A 100 4.812 -0.941 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.220 0.503 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.634 0.995 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.109 2.421 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.670 1.218 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.834 0.002 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.275 1.301 4.224 1.00 0.00 H new ATOM 0 HE ARG A 100 8.179 1.385 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.797 3.248 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.436 4.627 5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.871 3.151 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.477 4.571 7.421 1.00 0.00 H new ATOM 1562 N THR A 101 2.991 -1.496 3.460 1.00 0.00 N ATOM 1563 CA THR A 101 1.948 -1.915 2.525 1.00 0.00 C ATOM 1564 C THR A 101 1.786 -0.773 1.503 1.00 0.00 C ATOM 1565 O THR A 101 2.394 0.273 1.709 1.00 0.00 O ATOM 1566 CB THR A 101 0.677 -2.235 3.329 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.054 -1.061 3.804 1.00 0.00 O ATOM 1568 CG2 THR A 101 0.990 -3.132 4.533 1.00 0.00 C ATOM 0 H THR A 101 2.631 -1.158 4.353 1.00 0.00 H new ATOM 0 HA THR A 101 2.190 -2.823 1.972 1.00 0.00 H new ATOM 0 HB THR A 101 0.005 -2.754 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.869 -1.025 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.071 -3.340 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.425 -4.069 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.697 -2.626 5.190 1.00 0.00 H new ATOM 1576 N PRO A 102 0.984 -0.861 0.429 1.00 0.00 N ATOM 1577 CA PRO A 102 0.929 0.227 -0.545 1.00 0.00 C ATOM 1578 C PRO A 102 0.264 1.481 0.060 1.00 0.00 C ATOM 1579 O PRO A 102 0.628 2.608 -0.283 1.00 0.00 O ATOM 1580 CB PRO A 102 0.190 -0.351 -1.749 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.741 -1.358 -1.109 1.00 0.00 C ATOM 1582 CD PRO A 102 0.060 -1.918 0.064 1.00 0.00 C ATOM 0 HA PRO A 102 1.916 0.576 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.357 0.417 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.873 -0.822 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.665 -0.888 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.021 -2.144 -1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.592 -2.178 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.592 -2.826 -0.220 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.671 1.292 1.005 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.310 2.360 1.772 1.00 0.00 C ATOM 1592 C LEU A 103 -0.243 3.038 2.630 1.00 0.00 C ATOM 1593 O LEU A 103 -0.018 4.245 2.527 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.444 1.754 2.627 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.441 2.760 3.246 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.571 1.964 3.913 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.854 3.738 4.272 1.00 0.00 C ATOM 0 H LEU A 103 -1.009 0.364 1.260 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.754 3.111 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.004 1.053 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.994 1.176 3.434 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.783 3.385 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.288 2.654 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.073 1.350 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.155 1.323 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.642 4.396 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.429 3.179 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.073 4.335 3.800 1.00 0.00 H new ATOM 1609 N GLU A 104 0.461 2.261 3.455 1.00 0.00 N ATOM 1610 CA GLU A 104 1.536 2.796 4.269 1.00 0.00 C ATOM 1611 C GLU A 104 2.739 3.262 3.448 1.00 0.00 C ATOM 1612 O GLU A 104 3.528 4.036 3.977 1.00 0.00 O ATOM 1613 CB GLU A 104 1.901 1.870 5.441 1.00 0.00 C ATOM 1614 CG GLU A 104 1.116 2.212 6.724 1.00 0.00 C ATOM 1615 CD GLU A 104 -0.257 1.570 6.937 1.00 0.00 C ATOM 1616 OE1 GLU A 104 -1.016 1.234 6.005 1.00 0.00 O ATOM 1617 OE2 GLU A 104 -0.579 1.293 8.116 1.00 0.00 O ATOM 0 H GLU A 104 0.301 1.261 3.572 1.00 0.00 H new ATOM 0 HA GLU A 104 1.149 3.706 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.701 0.836 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.970 1.945 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.742 1.945 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.983 3.294 6.752 1.00 0.00 H new ATOM 1624 N TRP A 105 2.890 2.869 2.183 1.00 0.00 N ATOM 1625 CA TRP A 105 3.938 3.389 1.307 1.00 0.00 C ATOM 1626 C TRP A 105 3.575 4.812 0.948 1.00 0.00 C ATOM 1627 O TRP A 105 4.418 5.698 1.077 1.00 0.00 O ATOM 1628 CB TRP A 105 4.129 2.568 0.023 1.00 0.00 C ATOM 1629 CG TRP A 105 5.269 1.612 0.090 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.205 0.264 0.063 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.681 1.945 0.181 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.477 -0.263 0.158 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.425 0.736 0.274 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.399 3.159 0.198 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.817 0.741 0.439 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.800 3.174 0.305 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.508 1.967 0.452 1.00 0.00 C ATOM 0 H TRP A 105 2.286 2.179 1.736 1.00 0.00 H new ATOM 0 HA TRP A 105 4.884 3.331 1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.213 2.014 -0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.286 3.249 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.297 -0.314 -0.020 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.690 -1.260 0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.862 4.094 0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.355 -0.188 0.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.334 4.112 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.581 1.981 0.575 1.00 0.00 H new ATOM 1648 N ARG A 106 2.322 5.045 0.535 1.00 0.00 N ATOM 1649 CA ARG A 106 1.845 6.398 0.302 1.00 0.00 C ATOM 1650 C ARG A 106 2.108 7.205 1.558 1.00 0.00 C ATOM 1651 O ARG A 106 2.712 8.270 1.485 1.00 0.00 O ATOM 1652 CB ARG A 106 0.351 6.411 -0.068 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.142 7.857 -0.212 1.00 0.00 C ATOM 1654 CD ARG A 106 -1.663 7.980 -0.245 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.047 9.394 -0.107 1.00 0.00 N ATOM 1656 CZ ARG A 106 -1.958 10.104 1.027 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -1.776 9.516 2.204 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -2.017 11.419 0.960 1.00 0.00 N ATOM 0 H ARG A 106 1.632 4.315 0.359 1.00 0.00 H new ATOM 0 HA ARG A 106 2.374 6.838 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.194 5.870 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.227 5.896 0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.245 8.449 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.269 8.284 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.050 7.577 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.103 7.393 0.561 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.407 9.869 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.700 8.500 2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.712 10.080 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.129 11.879 0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.951 11.977 1.812 1.00 0.00 H new ATOM 1672 N GLN A 107 1.642 6.717 2.702 1.00 0.00 N ATOM 1673 CA GLN A 107 1.738 7.493 3.917 1.00 0.00 C ATOM 1674 C GLN A 107 3.194 7.677 4.347 1.00 0.00 C ATOM 1675 O GLN A 107 3.518 8.737 4.869 1.00 0.00 O ATOM 1676 CB GLN A 107 0.846 6.884 5.005 1.00 0.00 C ATOM 1677 CG GLN A 107 0.617 7.878 6.151 1.00 0.00 C ATOM 1678 CD GLN A 107 0.025 9.209 5.691 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -0.944 9.253 4.935 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.586 10.315 6.140 1.00 0.00 N ATOM 0 H GLN A 107 1.202 5.803 2.807 1.00 0.00 H new ATOM 0 HA GLN A 107 1.362 8.499 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.112 6.594 4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.309 5.977 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.050 7.427 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.565 8.065 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.389 10.261 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.217 11.224 5.861 1.00 0.00 H new ATOM 1689 N ALA A 108 4.082 6.711 4.086 1.00 0.00 N ATOM 1690 CA ALA A 108 5.505 6.852 4.361 1.00 0.00 C ATOM 1691 C ALA A 108 6.075 7.989 3.526 1.00 0.00 C ATOM 1692 O ALA A 108 6.783 8.828 4.068 1.00 0.00 O ATOM 1693 CB ALA A 108 6.279 5.563 4.056 1.00 0.00 C ATOM 0 H ALA A 108 3.828 5.811 3.678 1.00 0.00 H new ATOM 0 HA ALA A 108 5.616 7.067 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.336 5.713 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.892 4.752 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.160 5.307 3.003 1.00 0.00 H new ATOM 1699 N ILE A 109 5.780 8.006 2.227 1.00 0.00 N ATOM 1700 CA ILE A 109 6.299 8.980 1.272 1.00 0.00 C ATOM 1701 C ILE A 109 5.702 10.367 1.560 1.00 0.00 C ATOM 1702 O ILE A 109 6.377 11.379 1.365 1.00 0.00 O ATOM 1703 CB ILE A 109 6.020 8.440 -0.155 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.998 7.275 -0.423 1.00 0.00 C ATOM 1705 CG2 ILE A 109 6.155 9.490 -1.269 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.673 6.451 -1.668 1.00 0.00 C ATOM 0 H ILE A 109 5.155 7.322 1.799 1.00 0.00 H new ATOM 0 HA ILE A 109 7.377 9.112 1.363 1.00 0.00 H new ATOM 0 HB ILE A 109 4.978 8.120 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.006 7.678 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.003 6.614 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.943 9.027 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.448 10.301 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 109 7.170 9.888 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.409 5.655 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.680 6.014 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.698 7.095 -2.547 1.00 0.00 H new ATOM 1718 N TYR A 110 4.469 10.427 2.065 1.00 0.00 N ATOM 1719 CA TYR A 110 3.839 11.663 2.504 1.00 0.00 C ATOM 1720 C TYR A 110 4.620 12.179 3.705 1.00 0.00 C ATOM 1721 O TYR A 110 5.070 13.321 3.733 1.00 0.00 O ATOM 1722 CB TYR A 110 2.377 11.391 2.888 1.00 0.00 C ATOM 1723 CG TYR A 110 1.520 12.632 3.011 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.578 13.460 4.152 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.633 12.942 1.968 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.700 14.556 4.270 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -0.225 14.043 2.067 1.00 0.00 C ATOM 1728 CZ TYR A 110 -0.224 14.828 3.235 1.00 0.00 C ATOM 1729 OH TYR A 110 -1.170 15.795 3.353 1.00 0.00 O ATOM 0 H TYR A 110 3.876 9.605 2.180 1.00 0.00 H new ATOM 0 HA TYR A 110 3.846 12.407 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.935 10.732 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.357 10.855 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.294 13.254 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.613 12.325 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.733 15.185 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.886 14.290 1.249 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.708 15.828 2.534 1.00 0.00 H new