USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=13 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= -0.0828 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN : amide:sc= -0.82 K(o=-0.82,f=-2.9!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 97:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 34 SER OG : rot 18:sc= 1.04 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= 1.05 K(o=1.1,f=-0.25) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0232 K(o=-0.023,f=-3.5!) USER MOD Single : A 58 HIS : no HE2:sc= 0.824 K(o=0.82,f=-4.7!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 62 SER OG : rot 180:sc= 0.121 USER MOD Single : A 63 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.3) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.644 K(o=0.64,f=-2.3) USER MOD Single : A 68 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : A 72 GLN : amide:sc= 1.05 K(o=1.1,f=-0.42) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 90:sc= 1.26 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.107 USER MOD Single : A 101 THR OG1 : rot 128:sc= 1.11 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.457 11.144 -4.454 1.00 0.00 N ATOM 244 CA LEU A 16 0.484 10.597 -3.509 1.00 0.00 C ATOM 245 C LEU A 16 0.705 9.111 -3.788 1.00 0.00 C ATOM 246 O LEU A 16 1.837 8.635 -3.737 1.00 0.00 O ATOM 247 CB LEU A 16 -0.121 10.861 -2.126 1.00 0.00 C ATOM 248 CG LEU A 16 0.710 10.374 -0.948 1.00 0.00 C ATOM 249 CD1 LEU A 16 2.041 11.113 -0.896 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.111 10.625 0.327 1.00 0.00 C ATOM 0 HA LEU A 16 1.470 11.056 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.282 11.934 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.101 10.385 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 16 0.936 9.312 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.624 10.753 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.593 10.933 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.860 12.182 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.454 10.287 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.320 11.691 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.050 10.075 0.269 1.00 0.00 H new ATOM 262 N ALA A 17 -0.367 8.383 -4.127 1.00 0.00 N ATOM 263 CA ALA A 17 -0.270 6.993 -4.529 1.00 0.00 C ATOM 264 C ALA A 17 0.610 6.844 -5.772 1.00 0.00 C ATOM 265 O ALA A 17 1.326 5.858 -5.859 1.00 0.00 O ATOM 266 CB ALA A 17 -1.646 6.384 -4.806 1.00 0.00 C ATOM 0 H ALA A 17 -1.319 8.749 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 17 0.184 6.455 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.529 5.342 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.256 6.437 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.135 6.938 -5.607 1.00 0.00 H new ATOM 272 N ALA A 18 0.567 7.780 -6.728 1.00 0.00 N ATOM 273 CA ALA A 18 1.345 7.685 -7.959 1.00 0.00 C ATOM 274 C ALA A 18 2.848 7.702 -7.661 1.00 0.00 C ATOM 275 O ALA A 18 3.594 6.881 -8.197 1.00 0.00 O ATOM 276 CB ALA A 18 0.955 8.812 -8.923 1.00 0.00 C ATOM 0 H ALA A 18 -0.008 8.620 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 18 1.118 6.733 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.543 8.729 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.105 8.733 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.149 9.776 -8.453 1.00 0.00 H new ATOM 282 N GLU A 19 3.303 8.612 -6.800 1.00 0.00 N ATOM 283 CA GLU A 19 4.709 8.682 -6.401 1.00 0.00 C ATOM 284 C GLU A 19 5.112 7.442 -5.595 1.00 0.00 C ATOM 285 O GLU A 19 6.247 6.971 -5.705 1.00 0.00 O ATOM 286 CB GLU A 19 4.944 9.977 -5.608 1.00 0.00 C ATOM 287 CG GLU A 19 5.156 11.177 -6.539 1.00 0.00 C ATOM 288 CD GLU A 19 6.579 11.176 -7.101 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.849 10.495 -8.114 1.00 0.00 O ATOM 290 OE2 GLU A 19 7.462 11.811 -6.478 1.00 0.00 O ATOM 0 H GLU A 19 2.711 9.318 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 19 5.339 8.698 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.090 10.166 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.815 9.857 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.436 11.142 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.975 12.104 -5.994 1.00 0.00 H new ATOM 297 N ALA A 20 4.181 6.887 -4.811 1.00 0.00 N ATOM 298 CA ALA A 20 4.389 5.639 -4.098 1.00 0.00 C ATOM 299 C ALA A 20 4.515 4.472 -5.072 1.00 0.00 C ATOM 300 O ALA A 20 5.387 3.641 -4.888 1.00 0.00 O ATOM 301 CB ALA A 20 3.247 5.396 -3.109 1.00 0.00 C ATOM 0 H ALA A 20 3.261 7.299 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 20 5.322 5.714 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.416 4.457 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.208 6.214 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.302 5.343 -3.650 1.00 0.00 H new ATOM 307 N ILE A 21 3.673 4.403 -6.100 1.00 0.00 N ATOM 308 CA ILE A 21 3.635 3.351 -7.114 1.00 0.00 C ATOM 309 C ILE A 21 4.953 3.300 -7.883 1.00 0.00 C ATOM 310 O ILE A 21 5.434 2.217 -8.221 1.00 0.00 O ATOM 311 CB ILE A 21 2.412 3.638 -8.038 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.120 3.106 -7.388 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.542 3.139 -9.489 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.164 3.708 -7.975 1.00 0.00 C ATOM 0 H ILE A 21 2.961 5.117 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 21 3.516 2.368 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 21 2.373 4.723 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.087 2.022 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.151 3.313 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.637 3.390 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.401 3.615 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.680 2.058 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.030 3.284 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.155 4.789 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.220 3.478 -9.039 1.00 0.00 H new ATOM 326 N GLU A 22 5.553 4.459 -8.156 1.00 0.00 N ATOM 327 CA GLU A 22 6.824 4.513 -8.862 1.00 0.00 C ATOM 328 C GLU A 22 7.943 3.908 -7.993 1.00 0.00 C ATOM 329 O GLU A 22 8.965 3.475 -8.530 1.00 0.00 O ATOM 330 CB GLU A 22 7.085 5.968 -9.276 1.00 0.00 C ATOM 331 CG GLU A 22 8.390 6.147 -10.063 1.00 0.00 C ATOM 332 CD GLU A 22 8.501 7.550 -10.661 1.00 0.00 C ATOM 333 OE1 GLU A 22 7.583 7.977 -11.397 1.00 0.00 O ATOM 334 OE2 GLU A 22 9.511 8.240 -10.391 1.00 0.00 O ATOM 0 H GLU A 22 5.176 5.371 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 22 6.797 3.910 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.251 6.322 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.118 6.593 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.240 5.963 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.438 5.406 -10.861 1.00 0.00 H new ATOM 341 N ARG A 23 7.749 3.822 -6.668 1.00 0.00 N ATOM 342 CA ARG A 23 8.709 3.246 -5.732 1.00 0.00 C ATOM 343 C ARG A 23 8.359 1.803 -5.384 1.00 0.00 C ATOM 344 O ARG A 23 9.252 0.955 -5.363 1.00 0.00 O ATOM 345 CB ARG A 23 8.771 4.111 -4.456 1.00 0.00 C ATOM 346 CG ARG A 23 10.177 4.042 -3.858 1.00 0.00 C ATOM 347 CD ARG A 23 10.407 5.124 -2.796 1.00 0.00 C ATOM 348 NE ARG A 23 11.846 5.385 -2.668 1.00 0.00 N ATOM 349 CZ ARG A 23 12.579 6.153 -3.485 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.005 7.003 -4.337 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.899 6.027 -3.456 1.00 0.00 N ATOM 0 H ARG A 23 6.900 4.160 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 23 9.688 3.235 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.515 5.144 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.038 3.759 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.333 3.059 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.914 4.153 -4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.884 6.039 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.998 4.802 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 23 12.331 4.942 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.988 7.078 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.582 7.578 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.334 5.357 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.480 6.600 -4.068 1.00 0.00 H new ATOM 365 N ASP A 24 7.096 1.523 -5.088 1.00 0.00 N ATOM 366 CA ASP A 24 6.581 0.249 -4.615 1.00 0.00 C ATOM 367 C ASP A 24 5.991 -0.531 -5.784 1.00 0.00 C ATOM 368 O ASP A 24 4.867 -0.229 -6.207 1.00 0.00 O ATOM 369 CB ASP A 24 5.485 0.457 -3.558 1.00 0.00 C ATOM 370 CG ASP A 24 5.131 -0.863 -2.852 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.991 -1.770 -2.746 1.00 0.00 O ATOM 372 OD2 ASP A 24 3.970 -1.025 -2.421 1.00 0.00 O ATOM 0 H ASP A 24 6.361 2.224 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 24 7.406 -0.305 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.821 1.187 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.594 0.869 -4.031 1.00 0.00 H new ATOM 377 N PRO A 25 6.683 -1.545 -6.324 1.00 0.00 N ATOM 378 CA PRO A 25 6.107 -2.323 -7.401 1.00 0.00 C ATOM 379 C PRO A 25 4.844 -3.052 -6.942 1.00 0.00 C ATOM 380 O PRO A 25 3.997 -3.337 -7.780 1.00 0.00 O ATOM 381 CB PRO A 25 7.212 -3.253 -7.884 1.00 0.00 C ATOM 382 CG PRO A 25 8.136 -3.396 -6.676 1.00 0.00 C ATOM 383 CD PRO A 25 8.004 -2.044 -5.974 1.00 0.00 C ATOM 0 HA PRO A 25 5.769 -1.697 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.812 -4.218 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.739 -2.834 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.829 -4.218 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.165 -3.595 -6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.108 -2.152 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.782 -1.355 -6.302 1.00 0.00 H new ATOM 391 N TRP A 26 4.645 -3.329 -5.647 1.00 0.00 N ATOM 392 CA TRP A 26 3.386 -3.900 -5.196 1.00 0.00 C ATOM 393 C TRP A 26 2.258 -2.890 -5.377 1.00 0.00 C ATOM 394 O TRP A 26 1.221 -3.263 -5.912 1.00 0.00 O ATOM 395 CB TRP A 26 3.443 -4.376 -3.746 1.00 0.00 C ATOM 396 CG TRP A 26 2.164 -4.994 -3.258 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.558 -4.685 -2.096 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.310 -5.999 -3.887 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.364 -5.368 -1.978 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.166 -6.208 -3.059 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.389 -6.767 -5.068 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.844 -7.124 -3.406 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.415 -7.723 -5.397 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.701 -7.900 -4.569 1.00 0.00 C ATOM 0 H TRP A 26 5.332 -3.168 -4.910 1.00 0.00 H new ATOM 0 HA TRP A 26 3.193 -4.779 -5.811 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.249 -5.103 -3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.694 -3.530 -3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.951 -3.999 -1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.285 -5.267 -1.198 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.222 -6.615 -5.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.721 -7.230 -2.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.526 -8.322 -6.289 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.452 -8.633 -4.824 1.00 0.00 H new ATOM 415 N ALA A 27 2.430 -1.621 -4.996 1.00 0.00 N ATOM 416 CA ALA A 27 1.399 -0.609 -5.211 1.00 0.00 C ATOM 417 C ALA A 27 1.063 -0.497 -6.701 1.00 0.00 C ATOM 418 O ALA A 27 -0.113 -0.344 -7.052 1.00 0.00 O ATOM 419 CB ALA A 27 1.842 0.749 -4.658 1.00 0.00 C ATOM 0 H ALA A 27 3.273 -1.273 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 27 0.502 -0.918 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.057 1.486 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.030 0.662 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.755 1.067 -5.162 1.00 0.00 H new ATOM 425 N ALA A 28 2.073 -0.586 -7.574 1.00 0.00 N ATOM 426 CA ALA A 28 1.882 -0.597 -9.017 1.00 0.00 C ATOM 427 C ALA A 28 1.062 -1.822 -9.421 1.00 0.00 C ATOM 428 O ALA A 28 0.035 -1.694 -10.085 1.00 0.00 O ATOM 429 CB ALA A 28 3.244 -0.596 -9.727 1.00 0.00 C ATOM 0 H ALA A 28 3.050 -0.653 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 28 1.338 0.299 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.092 -0.604 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.800 0.298 -9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.808 -1.481 -9.433 1.00 0.00 H new ATOM 435 N GLN A 29 1.489 -3.005 -8.980 1.00 0.00 N ATOM 436 CA GLN A 29 0.842 -4.275 -9.281 1.00 0.00 C ATOM 437 C GLN A 29 -0.618 -4.232 -8.831 1.00 0.00 C ATOM 438 O GLN A 29 -1.499 -4.557 -9.616 1.00 0.00 O ATOM 439 CB GLN A 29 1.612 -5.437 -8.633 1.00 0.00 C ATOM 440 CG GLN A 29 2.890 -5.826 -9.403 1.00 0.00 C ATOM 441 CD GLN A 29 3.665 -6.954 -8.713 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.159 -7.643 -7.834 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.922 -7.169 -9.063 1.00 0.00 N ATOM 0 H GLN A 29 2.315 -3.106 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 29 0.854 -4.443 -10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.880 -5.162 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.957 -6.306 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.622 -6.137 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.534 -4.952 -9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.352 -6.601 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.461 -7.902 -8.603 1.00 0.00 H new ATOM 452 N VAL A 30 -0.904 -3.768 -7.617 1.00 0.00 N ATOM 453 CA VAL A 30 -2.245 -3.606 -7.064 1.00 0.00 C ATOM 454 C VAL A 30 -3.099 -2.719 -7.940 1.00 0.00 C ATOM 455 O VAL A 30 -4.269 -3.021 -8.187 1.00 0.00 O ATOM 456 CB VAL A 30 -2.125 -3.027 -5.637 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.408 -2.414 -5.049 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.665 -4.147 -4.720 1.00 0.00 C ATOM 0 H VAL A 30 -0.175 -3.482 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.738 -4.578 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.419 -2.199 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.206 -2.040 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.742 -1.592 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.187 -3.175 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.571 -3.768 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.395 -4.956 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.699 -4.521 -5.059 1.00 0.00 H new ATOM 468 N SER A 31 -2.520 -1.625 -8.403 1.00 0.00 N ATOM 469 CA SER A 31 -3.203 -0.702 -9.271 1.00 0.00 C ATOM 470 C SER A 31 -3.485 -1.364 -10.628 1.00 0.00 C ATOM 471 O SER A 31 -4.541 -1.116 -11.210 1.00 0.00 O ATOM 472 CB SER A 31 -2.351 0.566 -9.328 1.00 0.00 C ATOM 473 OG SER A 31 -2.196 1.074 -8.008 1.00 0.00 O ATOM 0 H SER A 31 -1.561 -1.358 -8.183 1.00 0.00 H new ATOM 0 HA SER A 31 -4.189 -0.420 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.377 0.347 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.826 1.311 -9.966 1.00 0.00 H new ATOM 0 HG SER A 31 -1.339 0.774 -7.640 1.00 0.00 H new ATOM 479 N GLN A 32 -2.643 -2.297 -11.079 1.00 0.00 N ATOM 480 CA GLN A 32 -2.890 -3.063 -12.292 1.00 0.00 C ATOM 481 C GLN A 32 -3.961 -4.130 -12.032 1.00 0.00 C ATOM 482 O GLN A 32 -4.804 -4.369 -12.896 1.00 0.00 O ATOM 483 CB GLN A 32 -1.561 -3.629 -12.826 1.00 0.00 C ATOM 484 CG GLN A 32 -1.759 -4.483 -14.087 1.00 0.00 C ATOM 485 CD GLN A 32 -0.556 -4.517 -15.033 1.00 0.00 C ATOM 486 OE1 GLN A 32 -0.730 -4.576 -16.247 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.677 -4.476 -14.555 1.00 0.00 N ATOM 0 H GLN A 32 -1.771 -2.539 -10.609 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.290 -2.421 -13.077 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.881 -2.807 -13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.088 -4.232 -12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.995 -5.503 -13.785 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.623 -4.105 -14.633 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.832 -4.427 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.472 -4.493 -15.193 1.00 0.00 H new ATOM 496 N LEU A 33 -4.001 -4.724 -10.833 1.00 0.00 N ATOM 497 CA LEU A 33 -5.050 -5.663 -10.445 1.00 0.00 C ATOM 498 C LEU A 33 -6.396 -4.944 -10.354 1.00 0.00 C ATOM 499 O LEU A 33 -7.431 -5.561 -10.590 1.00 0.00 O ATOM 500 CB LEU A 33 -4.756 -6.339 -9.090 1.00 0.00 C ATOM 501 CG LEU A 33 -3.450 -7.141 -8.943 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.509 -8.065 -7.723 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.122 -7.936 -10.203 1.00 0.00 C ATOM 0 H LEU A 33 -3.304 -4.564 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.083 -6.435 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.758 -5.563 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.585 -7.010 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.647 -6.419 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.575 -8.620 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.657 -7.469 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.338 -8.764 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.193 -8.486 -10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.930 -8.637 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.008 -7.253 -11.045 1.00 0.00 H new ATOM 515 N SER A 34 -6.373 -3.651 -10.013 1.00 0.00 N ATOM 516 CA SER A 34 -7.540 -2.802 -9.806 1.00 0.00 C ATOM 517 C SER A 34 -8.578 -3.500 -8.913 1.00 0.00 C ATOM 518 O SER A 34 -9.752 -3.616 -9.273 1.00 0.00 O ATOM 519 CB SER A 34 -8.093 -2.364 -11.171 1.00 0.00 C ATOM 520 OG SER A 34 -7.210 -1.465 -11.823 1.00 0.00 O ATOM 0 H SER A 34 -5.497 -3.149 -9.868 1.00 0.00 H new ATOM 0 HA SER A 34 -7.258 -1.898 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.252 -3.241 -11.799 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.065 -1.889 -11.036 1.00 0.00 H new ATOM 0 HG SER A 34 -6.320 -1.530 -11.418 1.00 0.00 H new ATOM 526 N LEU A 35 -8.147 -3.968 -7.729 1.00 0.00 N ATOM 527 CA LEU A 35 -9.027 -4.668 -6.793 1.00 0.00 C ATOM 528 C LEU A 35 -10.253 -3.801 -6.473 1.00 0.00 C ATOM 529 O LEU A 35 -10.105 -2.575 -6.406 1.00 0.00 O ATOM 530 CB LEU A 35 -8.326 -5.011 -5.464 1.00 0.00 C ATOM 531 CG LEU A 35 -7.214 -6.077 -5.437 1.00 0.00 C ATOM 532 CD1 LEU A 35 -7.414 -7.211 -6.449 1.00 0.00 C ATOM 533 CD2 LEU A 35 -5.845 -5.415 -5.579 1.00 0.00 C ATOM 0 H LEU A 35 -7.186 -3.870 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.319 -5.598 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.900 -4.087 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.097 -5.328 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.270 -6.564 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.590 -7.920 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.354 -7.722 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.440 -6.798 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.068 -6.179 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.798 -4.875 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.691 -4.718 -4.755 1.00 0.00 H new ATOM 545 N PRO A 36 -11.426 -4.410 -6.218 1.00 0.00 N ATOM 546 CA PRO A 36 -12.675 -3.687 -6.021 1.00 0.00 C ATOM 547 C PRO A 36 -12.658 -2.866 -4.728 1.00 0.00 C ATOM 548 O PRO A 36 -12.486 -1.650 -4.785 1.00 0.00 O ATOM 549 CB PRO A 36 -13.782 -4.746 -6.095 1.00 0.00 C ATOM 550 CG PRO A 36 -13.076 -6.050 -5.717 1.00 0.00 C ATOM 551 CD PRO A 36 -11.680 -5.843 -6.294 1.00 0.00 C ATOM 0 HA PRO A 36 -12.845 -2.931 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.597 -4.520 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.214 -4.802 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.052 -6.201 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.570 -6.920 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.936 -6.402 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.627 -6.195 -7.324 1.00 0.00 H new ATOM 559 N LYS A 37 -12.865 -3.483 -3.559 1.00 0.00 N ATOM 560 CA LYS A 37 -12.885 -2.752 -2.294 1.00 0.00 C ATOM 561 C LYS A 37 -12.497 -3.636 -1.126 1.00 0.00 C ATOM 562 O LYS A 37 -11.511 -3.371 -0.456 1.00 0.00 O ATOM 563 CB LYS A 37 -14.274 -2.129 -2.074 1.00 0.00 C ATOM 564 CG LYS A 37 -14.121 -0.650 -1.725 1.00 0.00 C ATOM 565 CD LYS A 37 -13.614 -0.463 -0.294 1.00 0.00 C ATOM 566 CE LYS A 37 -13.379 1.020 -0.025 1.00 0.00 C ATOM 567 NZ LYS A 37 -13.012 1.235 1.382 1.00 0.00 N ATOM 0 H LYS A 37 -13.021 -4.487 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.142 -1.956 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.880 -2.240 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.795 -2.651 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.428 -0.180 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.081 -0.146 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.340 -0.861 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.689 -1.020 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.587 1.393 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.280 1.586 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.855 2.250 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.780 0.898 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.140 0.710 1.598 1.00 0.00 H new ATOM 581 N LEU A 38 -13.237 -4.712 -0.913 1.00 0.00 N ATOM 582 CA LEU A 38 -12.953 -5.721 0.101 1.00 0.00 C ATOM 583 C LEU A 38 -11.528 -6.236 -0.120 1.00 0.00 C ATOM 584 O LEU A 38 -10.674 -6.167 0.760 1.00 0.00 O ATOM 585 CB LEU A 38 -14.037 -6.815 -0.001 1.00 0.00 C ATOM 586 CG LEU A 38 -14.070 -7.886 1.105 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.870 -8.835 1.067 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.234 -7.266 2.495 1.00 0.00 C ATOM 0 H LEU A 38 -14.077 -4.916 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.991 -5.325 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.010 -6.324 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.914 -7.323 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.952 -8.492 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.957 -9.564 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.847 -9.354 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.950 -8.264 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.253 -8.056 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.399 -6.595 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.168 -6.705 2.535 1.00 0.00 H new ATOM 600 N VAL A 39 -11.254 -6.686 -1.345 1.00 0.00 N ATOM 601 CA VAL A 39 -9.952 -7.232 -1.726 1.00 0.00 C ATOM 602 C VAL A 39 -8.897 -6.111 -1.822 1.00 0.00 C ATOM 603 O VAL A 39 -7.709 -6.362 -1.628 1.00 0.00 O ATOM 604 CB VAL A 39 -10.079 -8.030 -3.048 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.899 -8.991 -3.236 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.381 -8.850 -3.145 1.00 0.00 C ATOM 0 H VAL A 39 -11.934 -6.682 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.612 -7.922 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.087 -7.274 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.019 -9.535 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.969 -8.424 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.870 -9.698 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.405 -9.384 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.421 -9.567 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.238 -8.180 -3.084 1.00 0.00 H new ATOM 616 N GLU A 40 -9.311 -4.866 -2.096 1.00 0.00 N ATOM 617 CA GLU A 40 -8.413 -3.711 -2.091 1.00 0.00 C ATOM 618 C GLU A 40 -7.903 -3.495 -0.668 1.00 0.00 C ATOM 619 O GLU A 40 -6.703 -3.340 -0.471 1.00 0.00 O ATOM 620 CB GLU A 40 -9.141 -2.464 -2.628 1.00 0.00 C ATOM 621 CG GLU A 40 -8.291 -1.182 -2.617 1.00 0.00 C ATOM 622 CD GLU A 40 -9.040 0.036 -2.057 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.570 -0.011 -0.921 1.00 0.00 O ATOM 624 OE2 GLU A 40 -9.052 1.086 -2.740 1.00 0.00 O ATOM 0 H GLU A 40 -10.277 -4.635 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.562 -3.894 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.469 -2.660 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.038 -2.296 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.394 -1.354 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.963 -0.963 -3.633 1.00 0.00 H new ATOM 631 N GLN A 41 -8.794 -3.533 0.325 1.00 0.00 N ATOM 632 CA GLN A 41 -8.463 -3.318 1.722 1.00 0.00 C ATOM 633 C GLN A 41 -7.406 -4.320 2.180 1.00 0.00 C ATOM 634 O GLN A 41 -6.501 -3.955 2.926 1.00 0.00 O ATOM 635 CB GLN A 41 -9.752 -3.414 2.552 1.00 0.00 C ATOM 636 CG GLN A 41 -9.650 -2.675 3.894 1.00 0.00 C ATOM 637 CD GLN A 41 -11.036 -2.390 4.469 1.00 0.00 C ATOM 638 OE1 GLN A 41 -11.408 -2.848 5.543 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.838 -1.603 3.782 1.00 0.00 N ATOM 0 H GLN A 41 -9.785 -3.719 0.170 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.034 -2.326 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.581 -3.001 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.983 -4.463 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.076 -3.274 4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.110 -1.738 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.533 -1.219 2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.764 -1.377 4.144 1.00 0.00 H new ATOM 648 N VAL A 42 -7.490 -5.566 1.715 1.00 0.00 N ATOM 649 CA VAL A 42 -6.485 -6.585 1.971 1.00 0.00 C ATOM 650 C VAL A 42 -5.161 -6.179 1.329 1.00 0.00 C ATOM 651 O VAL A 42 -4.159 -6.075 2.033 1.00 0.00 O ATOM 652 CB VAL A 42 -7.017 -7.945 1.490 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.933 -9.025 1.406 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.111 -8.371 2.471 1.00 0.00 C ATOM 0 H VAL A 42 -8.268 -5.895 1.144 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.286 -6.682 3.038 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.399 -7.834 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.376 -9.959 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.159 -8.710 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.492 -9.175 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.518 -9.335 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.689 -8.456 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.907 -7.626 2.474 1.00 0.00 H new ATOM 664 N ALA A 43 -5.146 -5.929 0.018 1.00 0.00 N ATOM 665 CA ALA A 43 -3.922 -5.595 -0.697 1.00 0.00 C ATOM 666 C ALA A 43 -3.240 -4.345 -0.124 1.00 0.00 C ATOM 667 O ALA A 43 -2.014 -4.263 -0.135 1.00 0.00 O ATOM 668 CB ALA A 43 -4.244 -5.409 -2.179 1.00 0.00 C ATOM 0 H ALA A 43 -5.979 -5.953 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.216 -6.417 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.332 -5.159 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.662 -6.333 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.968 -4.603 -2.296 1.00 0.00 H new ATOM 674 N LEU A 44 -4.026 -3.389 0.381 1.00 0.00 N ATOM 675 CA LEU A 44 -3.574 -2.162 1.020 1.00 0.00 C ATOM 676 C LEU A 44 -3.011 -2.419 2.412 1.00 0.00 C ATOM 677 O LEU A 44 -2.105 -1.694 2.830 1.00 0.00 O ATOM 678 CB LEU A 44 -4.726 -1.144 1.111 1.00 0.00 C ATOM 679 CG LEU A 44 -5.041 -0.402 -0.203 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.265 0.491 0.025 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.885 0.476 -0.711 1.00 0.00 C ATOM 0 H LEU A 44 -5.043 -3.459 0.351 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.775 -1.755 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.625 -1.663 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.482 -0.408 1.877 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.219 -1.163 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.503 1.024 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.115 -0.125 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.049 1.210 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.181 0.966 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.645 1.231 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.008 -0.146 -0.893 1.00 0.00 H new ATOM 693 N ASN A 45 -3.521 -3.413 3.147 1.00 0.00 N ATOM 694 CA ASN A 45 -3.069 -3.664 4.513 1.00 0.00 C ATOM 695 C ASN A 45 -2.011 -4.757 4.565 1.00 0.00 C ATOM 696 O ASN A 45 -1.668 -5.200 5.660 1.00 0.00 O ATOM 697 CB ASN A 45 -4.255 -3.929 5.451 1.00 0.00 C ATOM 698 CG ASN A 45 -4.945 -2.614 5.781 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.467 -1.841 6.607 1.00 0.00 O ATOM 700 ND2 ASN A 45 -6.054 -2.320 5.132 1.00 0.00 N ATOM 0 H ASN A 45 -4.244 -4.053 2.818 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.582 -2.760 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.960 -4.613 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.908 -4.410 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.531 -1.437 5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.435 -2.976 4.450 1.00 0.00 H new ATOM 707 N ALA A 46 -1.450 -5.178 3.429 1.00 0.00 N ATOM 708 CA ALA A 46 -0.362 -6.128 3.383 1.00 0.00 C ATOM 709 C ALA A 46 0.785 -5.599 2.546 1.00 0.00 C ATOM 710 O ALA A 46 0.581 -4.804 1.635 1.00 0.00 O ATOM 711 CB ALA A 46 -0.857 -7.445 2.781 1.00 0.00 C ATOM 0 H ALA A 46 -1.751 -4.858 2.508 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.006 -6.290 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.036 -8.161 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.663 -7.846 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.226 -7.267 1.771 1.00 0.00 H new ATOM 717 N TRP A 47 1.985 -6.068 2.864 1.00 0.00 N ATOM 718 CA TRP A 47 3.192 -5.801 2.102 1.00 0.00 C ATOM 719 C TRP A 47 3.478 -7.120 1.400 1.00 0.00 C ATOM 720 O TRP A 47 3.240 -8.203 1.951 1.00 0.00 O ATOM 721 CB TRP A 47 4.353 -5.302 2.966 1.00 0.00 C ATOM 722 CG TRP A 47 4.824 -6.162 4.096 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.354 -6.101 5.360 1.00 0.00 C ATOM 724 CD2 TRP A 47 5.893 -7.163 4.109 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.091 -6.943 6.163 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.094 -7.580 5.459 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.721 -7.759 3.133 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.102 -8.485 5.827 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.712 -8.694 3.490 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.917 -9.040 4.831 1.00 0.00 C ATOM 0 H TRP A 47 2.147 -6.659 3.680 1.00 0.00 H new ATOM 0 HA TRP A 47 3.062 -4.983 1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.204 -5.125 2.308 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.065 -4.336 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.529 -5.488 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.917 -7.080 7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.592 -7.493 2.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.248 -8.750 6.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.320 -9.149 2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.701 -9.733 5.097 1.00 0.00 H new ATOM 741 N LYS A 48 3.935 -7.034 0.158 1.00 0.00 N ATOM 742 CA LYS A 48 4.113 -8.200 -0.682 1.00 0.00 C ATOM 743 C LYS A 48 5.544 -8.682 -0.713 1.00 0.00 C ATOM 744 O LYS A 48 6.431 -7.934 -1.120 1.00 0.00 O ATOM 745 CB LYS A 48 3.574 -7.851 -2.075 1.00 0.00 C ATOM 746 CG LYS A 48 3.707 -8.980 -3.099 1.00 0.00 C ATOM 747 CD LYS A 48 4.897 -8.833 -4.067 1.00 0.00 C ATOM 748 CE LYS A 48 4.656 -7.697 -5.065 1.00 0.00 C ATOM 749 NZ LYS A 48 5.816 -7.446 -5.938 1.00 0.00 N ATOM 0 H LYS A 48 4.191 -6.154 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 48 3.555 -9.041 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.523 -7.577 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.102 -6.973 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.804 -9.926 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.787 -9.035 -3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.808 -8.638 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.050 -9.768 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.790 -7.939 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.415 -6.785 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.596 -6.668 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.639 -7.188 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.033 -8.305 -6.482 1.00 0.00 H new ATOM 763 N GLU A 49 5.738 -9.911 -0.252 1.00 0.00 N ATOM 764 CA GLU A 49 6.994 -10.628 -0.324 1.00 0.00 C ATOM 765 C GLU A 49 6.854 -11.474 -1.595 1.00 0.00 C ATOM 766 O GLU A 49 5.744 -11.894 -1.938 1.00 0.00 O ATOM 767 CB GLU A 49 7.160 -11.512 0.921 1.00 0.00 C ATOM 768 CG GLU A 49 8.468 -12.307 0.928 1.00 0.00 C ATOM 769 CD GLU A 49 9.698 -11.401 0.877 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.180 -10.969 1.948 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.163 -11.109 -0.250 1.00 0.00 O ATOM 0 H GLU A 49 4.997 -10.450 0.197 1.00 0.00 H new ATOM 0 HA GLU A 49 7.868 -9.978 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.119 -10.885 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.321 -12.205 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.511 -12.924 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.483 -12.985 0.075 1.00 0.00 H new ATOM 778 N GLU A 50 7.943 -11.758 -2.300 1.00 0.00 N ATOM 779 CA GLU A 50 7.904 -12.536 -3.533 1.00 0.00 C ATOM 780 C GLU A 50 9.158 -13.399 -3.585 1.00 0.00 C ATOM 781 O GLU A 50 10.265 -12.895 -3.389 1.00 0.00 O ATOM 782 CB GLU A 50 7.749 -11.579 -4.726 1.00 0.00 C ATOM 783 CG GLU A 50 7.955 -12.219 -6.110 1.00 0.00 C ATOM 784 CD GLU A 50 9.095 -11.529 -6.852 1.00 0.00 C ATOM 785 OE1 GLU A 50 10.276 -11.910 -6.678 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.827 -10.531 -7.559 1.00 0.00 O ATOM 0 H GLU A 50 8.879 -11.455 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 50 7.048 -13.209 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.752 -11.139 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.462 -10.762 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.176 -13.280 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.036 -12.145 -6.692 1.00 0.00 H new ATOM 793 N SER A 51 8.977 -14.700 -3.791 1.00 0.00 N ATOM 794 CA SER A 51 10.029 -15.679 -3.991 1.00 0.00 C ATOM 795 C SER A 51 9.917 -16.201 -5.426 1.00 0.00 C ATOM 796 O SER A 51 8.981 -15.859 -6.153 1.00 0.00 O ATOM 797 CB SER A 51 9.864 -16.808 -2.963 1.00 0.00 C ATOM 798 OG SER A 51 9.857 -16.303 -1.636 1.00 0.00 O ATOM 0 H SER A 51 8.046 -15.116 -3.824 1.00 0.00 H new ATOM 0 HA SER A 51 11.017 -15.241 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.934 -17.344 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.676 -17.527 -3.076 1.00 0.00 H new ATOM 0 HG SER A 51 9.749 -17.044 -1.004 1.00 0.00 H new ATOM 804 N ASP A 52 10.842 -17.082 -5.802 1.00 0.00 N ATOM 805 CA ASP A 52 11.047 -17.657 -7.130 1.00 0.00 C ATOM 806 C ASP A 52 9.756 -18.055 -7.829 1.00 0.00 C ATOM 807 O ASP A 52 9.620 -17.861 -9.035 1.00 0.00 O ATOM 808 CB ASP A 52 11.914 -18.916 -7.008 1.00 0.00 C ATOM 809 CG ASP A 52 13.306 -18.606 -6.482 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.392 -18.248 -5.282 1.00 0.00 O ATOM 811 OD2 ASP A 52 14.298 -18.695 -7.235 1.00 0.00 O ATOM 0 H ASP A 52 11.522 -17.441 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 52 11.525 -16.880 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.426 -19.628 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.995 -19.396 -7.984 1.00 0.00 H new ATOM 816 N ASN A 53 8.811 -18.619 -7.079 1.00 0.00 N ATOM 817 CA ASN A 53 7.559 -19.189 -7.554 1.00 0.00 C ATOM 818 C ASN A 53 6.312 -18.712 -6.797 1.00 0.00 C ATOM 819 O ASN A 53 5.205 -19.048 -7.231 1.00 0.00 O ATOM 820 CB ASN A 53 7.666 -20.720 -7.457 1.00 0.00 C ATOM 821 CG ASN A 53 7.835 -21.248 -6.031 1.00 0.00 C ATOM 822 OD1 ASN A 53 8.014 -20.492 -5.077 1.00 0.00 O ATOM 823 ND2 ASN A 53 7.827 -22.553 -5.852 1.00 0.00 N ATOM 0 H ASN A 53 8.908 -18.693 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 53 7.423 -18.848 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.771 -21.164 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.512 -21.053 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.970 -22.941 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.678 -23.176 -6.646 1.00 0.00 H new ATOM 830 N ALA A 54 6.431 -17.905 -5.737 1.00 0.00 N ATOM 831 CA ALA A 54 5.291 -17.542 -4.901 1.00 0.00 C ATOM 832 C ALA A 54 5.306 -16.073 -4.514 1.00 0.00 C ATOM 833 O ALA A 54 6.345 -15.417 -4.568 1.00 0.00 O ATOM 834 CB ALA A 54 5.363 -18.376 -3.619 1.00 0.00 C ATOM 0 H ALA A 54 7.314 -17.490 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 54 4.379 -17.731 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.521 -18.125 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.323 -19.436 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.296 -18.162 -3.098 1.00 0.00 H new ATOM 840 N VAL A 55 4.160 -15.591 -4.040 1.00 0.00 N ATOM 841 CA VAL A 55 3.968 -14.231 -3.568 1.00 0.00 C ATOM 842 C VAL A 55 3.210 -14.330 -2.247 1.00 0.00 C ATOM 843 O VAL A 55 2.120 -14.887 -2.189 1.00 0.00 O ATOM 844 CB VAL A 55 3.262 -13.400 -4.660 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.928 -11.998 -4.164 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.186 -13.201 -5.873 1.00 0.00 C ATOM 0 H VAL A 55 3.315 -16.158 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 55 4.903 -13.704 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 55 2.358 -13.950 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.432 -11.440 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.267 -12.066 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.846 -11.485 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.669 -12.613 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.089 -12.677 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.455 -14.172 -6.288 1.00 0.00 H new ATOM 856 N CYS A 56 3.782 -13.823 -1.163 1.00 0.00 N ATOM 857 CA CYS A 56 3.226 -13.963 0.176 1.00 0.00 C ATOM 858 C CYS A 56 2.928 -12.578 0.739 1.00 0.00 C ATOM 859 O CYS A 56 3.831 -11.779 0.981 1.00 0.00 O ATOM 860 CB CYS A 56 4.155 -14.825 1.033 1.00 0.00 C ATOM 861 SG CYS A 56 4.242 -16.470 0.259 1.00 0.00 S ATOM 0 H CYS A 56 4.655 -13.297 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 56 2.273 -14.493 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.147 -14.377 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.776 -14.900 2.052 1.00 0.00 H new ATOM 0 HG CYS A 56 5.026 -17.237 0.957 1.00 0.00 H new ATOM 867 N LEU A 57 1.642 -12.264 0.885 1.00 0.00 N ATOM 868 CA LEU A 57 1.172 -10.987 1.392 1.00 0.00 C ATOM 869 C LEU A 57 1.193 -11.022 2.909 1.00 0.00 C ATOM 870 O LEU A 57 0.344 -11.648 3.534 1.00 0.00 O ATOM 871 CB LEU A 57 -0.228 -10.655 0.843 1.00 0.00 C ATOM 872 CG LEU A 57 -0.133 -10.009 -0.547 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.500 -9.858 -1.202 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.440 -8.594 -0.516 1.00 0.00 C ATOM 0 H LEU A 57 0.886 -12.907 0.648 1.00 0.00 H new ATOM 0 HA LEU A 57 1.834 -10.191 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.825 -11.565 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.741 -9.980 1.528 1.00 0.00 H new ATOM 0 HG LEU A 57 0.519 -10.685 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.385 -9.397 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.960 -10.840 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.135 -9.229 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.480 -8.195 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.196 -7.957 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.445 -8.618 -0.095 1.00 0.00 H new ATOM 886 N HIS A 58 2.191 -10.375 3.493 1.00 0.00 N ATOM 887 CA HIS A 58 2.310 -10.189 4.928 1.00 0.00 C ATOM 888 C HIS A 58 1.299 -9.108 5.326 1.00 0.00 C ATOM 889 O HIS A 58 1.575 -7.920 5.148 1.00 0.00 O ATOM 890 CB HIS A 58 3.750 -9.773 5.239 1.00 0.00 C ATOM 891 CG HIS A 58 4.802 -10.862 5.210 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.612 -11.222 6.276 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.265 -11.509 4.094 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.544 -12.067 5.807 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.346 -12.275 4.496 1.00 0.00 N ATOM 0 H HIS A 58 2.958 -9.955 2.968 1.00 0.00 H new ATOM 0 HA HIS A 58 2.097 -11.098 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.041 -9.002 4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.764 -9.315 6.228 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.517 -10.903 7.240 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.864 -11.435 3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.333 -12.512 6.395 1.00 0.00 H new ATOM 904 N LEU A 59 0.110 -9.501 5.784 1.00 0.00 N ATOM 905 CA LEU A 59 -0.992 -8.611 6.136 1.00 0.00 C ATOM 906 C LEU A 59 -0.851 -8.180 7.583 1.00 0.00 C ATOM 907 O LEU A 59 -0.746 -9.011 8.482 1.00 0.00 O ATOM 908 CB LEU A 59 -2.348 -9.305 5.933 1.00 0.00 C ATOM 909 CG LEU A 59 -3.536 -8.328 6.139 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.297 -8.054 4.842 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.537 -8.926 7.119 1.00 0.00 C ATOM 0 H LEU A 59 -0.118 -10.485 5.925 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.953 -7.739 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.394 -9.725 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.438 -10.137 6.631 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.106 -7.398 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.118 -7.365 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.621 -7.612 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.695 -8.990 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.368 -8.234 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.913 -9.870 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.048 -9.102 8.077 1.00 0.00 H new ATOM 923 N ARG A 60 -0.898 -6.873 7.807 1.00 0.00 N ATOM 924 CA ARG A 60 -0.902 -6.269 9.124 1.00 0.00 C ATOM 925 C ARG A 60 -2.053 -6.837 9.938 1.00 0.00 C ATOM 926 O ARG A 60 -3.220 -6.629 9.591 1.00 0.00 O ATOM 927 CB ARG A 60 -1.029 -4.743 8.988 1.00 0.00 C ATOM 928 CG ARG A 60 0.181 -4.079 8.312 1.00 0.00 C ATOM 929 CD ARG A 60 1.390 -4.040 9.250 1.00 0.00 C ATOM 930 NE ARG A 60 2.550 -3.392 8.617 1.00 0.00 N ATOM 931 CZ ARG A 60 2.876 -2.099 8.741 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.119 -1.249 9.418 1.00 0.00 N ATOM 933 NH2 ARG A 60 3.972 -1.627 8.167 1.00 0.00 N ATOM 0 H ARG A 60 -0.935 -6.188 7.052 1.00 0.00 H new ATOM 0 HA ARG A 60 0.032 -6.494 9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.926 -4.512 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.164 -4.309 9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.439 -4.626 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.080 -3.065 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.126 -3.504 10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.656 -5.056 9.543 1.00 0.00 H new ATOM 0 HE ARG A 60 3.154 -3.975 8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.261 -1.573 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.394 -0.270 9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.573 -2.249 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.215 -0.641 8.265 1.00 0.00 H new ATOM 947 N SER A 61 -1.742 -7.494 11.054 1.00 0.00 N ATOM 948 CA SER A 61 -2.711 -7.986 12.014 1.00 0.00 C ATOM 949 C SER A 61 -3.612 -6.874 12.541 1.00 0.00 C ATOM 950 O SER A 61 -4.724 -7.133 13.001 1.00 0.00 O ATOM 951 CB SER A 61 -1.975 -8.664 13.159 1.00 0.00 C ATOM 952 OG SER A 61 -1.151 -9.672 12.625 1.00 0.00 O ATOM 0 H SER A 61 -0.779 -7.701 11.317 1.00 0.00 H new ATOM 0 HA SER A 61 -3.359 -8.704 11.511 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.377 -7.937 13.708 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.686 -9.091 13.866 1.00 0.00 H new ATOM 0 HG SER A 61 -0.668 -10.118 13.351 1.00 0.00 H new ATOM 958 N SER A 62 -3.177 -5.631 12.368 1.00 0.00 N ATOM 959 CA SER A 62 -3.909 -4.409 12.669 1.00 0.00 C ATOM 960 C SER A 62 -5.236 -4.347 11.906 1.00 0.00 C ATOM 961 O SER A 62 -6.138 -3.611 12.296 1.00 0.00 O ATOM 962 CB SER A 62 -3.052 -3.193 12.297 1.00 0.00 C ATOM 963 OG SER A 62 -1.673 -3.483 12.440 1.00 0.00 O ATOM 0 H SER A 62 -2.249 -5.440 11.991 1.00 0.00 H new ATOM 0 HA SER A 62 -4.129 -4.402 13.737 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.261 -2.897 11.269 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.318 -2.348 12.932 1.00 0.00 H new ATOM 0 HG SER A 62 -1.146 -2.694 12.196 1.00 0.00 H new ATOM 969 N GLN A 63 -5.362 -5.120 10.822 1.00 0.00 N ATOM 970 CA GLN A 63 -6.570 -5.298 10.026 1.00 0.00 C ATOM 971 C GLN A 63 -6.815 -6.786 9.710 1.00 0.00 C ATOM 972 O GLN A 63 -7.502 -7.094 8.734 1.00 0.00 O ATOM 973 CB GLN A 63 -6.504 -4.423 8.753 1.00 0.00 C ATOM 974 CG GLN A 63 -6.589 -2.909 9.018 1.00 0.00 C ATOM 975 CD GLN A 63 -7.877 -2.494 9.728 1.00 0.00 C ATOM 976 OE1 GLN A 63 -8.984 -2.776 9.269 1.00 0.00 O ATOM 977 NE2 GLN A 63 -7.769 -1.836 10.867 1.00 0.00 N ATOM 0 H GLN A 63 -4.579 -5.665 10.461 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.429 -4.963 10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.573 -4.636 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.318 -4.709 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.734 -2.604 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.516 -2.376 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.847 -1.607 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.608 -1.556 11.376 1.00 0.00 H new ATOM 986 N ARG A 64 -6.342 -7.739 10.532 1.00 0.00 N ATOM 987 CA ARG A 64 -6.517 -9.178 10.249 1.00 0.00 C ATOM 988 C ARG A 64 -7.969 -9.601 10.122 1.00 0.00 C ATOM 989 O ARG A 64 -8.247 -10.613 9.485 1.00 0.00 O ATOM 990 CB ARG A 64 -5.852 -10.075 11.300 1.00 0.00 C ATOM 991 CG ARG A 64 -6.310 -9.874 12.754 1.00 0.00 C ATOM 992 CD ARG A 64 -7.356 -10.917 13.153 1.00 0.00 C ATOM 993 NE ARG A 64 -7.984 -10.548 14.423 1.00 0.00 N ATOM 994 CZ ARG A 64 -9.093 -11.084 14.933 1.00 0.00 C ATOM 995 NH1 ARG A 64 -9.745 -12.041 14.281 1.00 0.00 N ATOM 996 NH2 ARG A 64 -9.557 -10.643 16.092 1.00 0.00 N ATOM 0 H ARG A 64 -5.837 -7.542 11.396 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.026 -9.312 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.031 -11.115 11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.775 -9.914 11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.451 -9.943 13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.726 -8.874 12.872 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.115 -10.997 12.374 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.887 -11.897 13.243 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.532 -9.814 14.967 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.398 -12.373 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.593 -12.444 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.067 -9.899 16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.405 -11.048 16.489 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.908 -8.837 10.684 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.327 -9.095 10.505 1.00 0.00 C ATOM 1012 C HIS A 65 -10.704 -9.157 9.018 1.00 0.00 C ATOM 1013 O HIS A 65 -11.646 -9.864 8.666 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.117 -8.006 11.237 1.00 0.00 C ATOM 1015 CG HIS A 65 -12.604 -8.171 11.103 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -13.462 -7.332 10.417 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -13.332 -9.200 11.625 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -14.696 -7.853 10.515 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -14.636 -8.991 11.235 1.00 0.00 N ATOM 0 H HIS A 65 -8.702 -8.029 11.271 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.574 -10.069 10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.849 -8.018 12.294 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.828 -7.030 10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.959 -10.017 12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.592 -7.429 10.086 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.426 -9.597 11.455 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.979 -8.461 8.135 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.254 -8.456 6.703 1.00 0.00 C ATOM 1030 C LEU A 66 -9.639 -9.668 6.012 1.00 0.00 C ATOM 1031 O LEU A 66 -9.966 -9.893 4.851 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.742 -7.162 6.029 1.00 0.00 C ATOM 1033 CG LEU A 66 -10.650 -5.927 6.177 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -12.057 -6.195 5.627 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.704 -5.434 7.628 1.00 0.00 C ATOM 0 H LEU A 66 -9.181 -7.884 8.401 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.338 -8.501 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.763 -6.922 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.599 -7.360 4.967 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.209 -5.130 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.671 -5.302 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.992 -6.450 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.509 -7.023 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.354 -4.562 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.095 -6.226 8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.701 -5.164 7.958 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.783 -10.452 6.674 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.189 -11.631 6.064 1.00 0.00 C ATOM 1049 C ASN A 67 -9.242 -12.712 5.925 1.00 0.00 C ATOM 1050 O ASN A 67 -9.709 -13.246 6.939 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.958 -12.150 6.827 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.251 -13.282 6.081 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.640 -13.653 4.973 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.197 -13.847 6.635 1.00 0.00 N ATOM 0 H ASN A 67 -8.489 -10.285 7.636 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.826 -11.344 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.258 -11.329 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.265 -12.502 7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.702 -14.593 6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.876 -13.538 7.553 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.719 -12.930 4.701 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.635 -14.000 4.348 1.00 0.00 C ATOM 1063 C ASN A 68 -10.143 -14.724 3.099 1.00 0.00 C ATOM 1064 O ASN A 68 -9.526 -14.111 2.222 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.059 -13.463 4.192 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.251 -12.635 2.933 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -11.668 -11.580 2.756 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.093 -13.069 2.030 1.00 0.00 N ATOM 0 H ASN A 68 -9.467 -12.344 3.905 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.662 -14.731 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.757 -14.300 4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.308 -12.854 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.258 -12.525 1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.584 -13.952 2.173 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.492 -16.005 2.956 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.099 -16.778 1.779 1.00 0.00 C ATOM 1077 C ARG A 69 -10.747 -16.253 0.503 1.00 0.00 C ATOM 1078 O ARG A 69 -10.128 -16.291 -0.553 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.438 -18.254 1.995 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.576 -19.148 1.084 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.606 -20.607 1.538 1.00 0.00 C ATOM 1082 NE ARG A 69 -9.067 -20.743 2.900 1.00 0.00 N ATOM 1083 CZ ARG A 69 -9.005 -21.855 3.630 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -9.303 -23.041 3.116 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -8.646 -21.741 4.895 1.00 0.00 N ATOM 0 H ARG A 69 -11.043 -16.525 3.638 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.022 -16.670 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.272 -18.522 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.494 -18.424 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.937 -19.078 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.548 -18.787 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.630 -20.980 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.024 -21.219 0.849 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.701 -19.894 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.588 -23.117 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.247 -23.877 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.427 -20.823 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.587 -22.571 5.485 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.959 -15.712 0.598 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.629 -15.077 -0.526 1.00 0.00 C ATOM 1101 C GLY A 70 -11.790 -13.949 -1.123 1.00 0.00 C ATOM 1102 O GLY A 70 -11.701 -13.842 -2.349 1.00 0.00 O ATOM 0 H GLY A 70 -12.503 -15.703 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.835 -15.822 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.591 -14.681 -0.199 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.161 -13.112 -0.285 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.247 -12.098 -0.780 1.00 0.00 C ATOM 1108 C ALA A 71 -9.074 -12.793 -1.451 1.00 0.00 C ATOM 1109 O ALA A 71 -8.758 -12.438 -2.582 1.00 0.00 O ATOM 1110 CB ALA A 71 -9.761 -11.160 0.332 1.00 0.00 C ATOM 0 H ALA A 71 -11.274 -13.124 0.729 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.776 -11.472 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.080 -10.420 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.616 -10.654 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.241 -11.739 1.095 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.468 -13.786 -0.788 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.309 -14.498 -1.306 1.00 0.00 C ATOM 1118 C GLN A 72 -7.580 -15.047 -2.703 1.00 0.00 C ATOM 1119 O GLN A 72 -6.702 -14.916 -3.546 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.872 -15.634 -0.358 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.504 -16.212 -0.770 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.012 -17.356 0.117 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -5.643 -17.771 1.087 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -3.855 -17.903 -0.197 1.00 0.00 N ATOM 0 H GLN A 72 -8.775 -14.115 0.127 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.492 -13.780 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.817 -15.257 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.621 -16.426 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.567 -16.567 -1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.765 -15.411 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.330 -17.560 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.484 -18.670 0.364 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.759 -15.625 -2.964 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.036 -16.250 -4.250 1.00 0.00 C ATOM 1135 C GLN A 73 -8.973 -15.187 -5.340 1.00 0.00 C ATOM 1136 O GLN A 73 -8.240 -15.352 -6.313 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.394 -16.973 -4.266 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.498 -17.804 -5.561 1.00 0.00 C ATOM 1139 CD GLN A 73 -11.889 -18.331 -5.894 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -12.919 -17.852 -5.409 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -11.949 -19.309 -6.780 1.00 0.00 N ATOM 0 H GLN A 73 -9.531 -15.670 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.279 -17.013 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.488 -17.620 -3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.208 -16.249 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.152 -17.191 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.817 -18.651 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.090 -19.695 -7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.854 -19.678 -7.072 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.718 -14.086 -5.178 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.710 -13.047 -6.200 1.00 0.00 C ATOM 1152 C LYS A 74 -8.321 -12.437 -6.317 1.00 0.00 C ATOM 1153 O LYS A 74 -7.859 -12.191 -7.426 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.799 -11.991 -5.958 1.00 0.00 C ATOM 1155 CG LYS A 74 -10.725 -10.916 -7.059 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.080 -10.346 -7.496 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.926 -9.934 -8.962 1.00 0.00 C ATOM 1158 NZ LYS A 74 -13.139 -9.337 -9.547 1.00 0.00 N ATOM 0 H LYS A 74 -10.315 -13.899 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.953 -13.507 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.783 -12.461 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.665 -11.533 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.099 -10.097 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.228 -11.343 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.868 -11.090 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.358 -9.491 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.106 -9.220 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.646 -10.810 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.958 -9.084 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.920 -10.022 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.397 -8.482 -9.014 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.638 -12.207 -5.196 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.285 -11.680 -5.217 1.00 0.00 C ATOM 1174 C LEU A 75 -5.378 -12.620 -6.019 1.00 0.00 C ATOM 1175 O LEU A 75 -4.550 -12.137 -6.784 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.780 -11.463 -3.776 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.137 -10.096 -3.498 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.878 -9.997 -1.991 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.874 -9.771 -4.296 1.00 0.00 C ATOM 0 H LEU A 75 -8.007 -12.380 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.270 -10.709 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.618 -11.596 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.053 -12.241 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.846 -9.343 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.421 -9.034 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.822 -10.087 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.207 -10.799 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.511 -8.782 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.106 -10.514 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.103 -9.785 -5.362 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.538 -13.941 -5.875 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.685 -14.961 -6.476 1.00 0.00 C ATOM 1193 C ALA A 76 -4.945 -15.048 -7.964 1.00 0.00 C ATOM 1194 O ALA A 76 -4.001 -15.080 -8.747 1.00 0.00 O ATOM 1195 CB ALA A 76 -4.922 -16.325 -5.814 1.00 0.00 C ATOM 0 H ALA A 76 -6.293 -14.338 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.645 -14.678 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.276 -17.071 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.694 -16.258 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.964 -16.616 -5.944 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.212 -15.068 -8.357 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.646 -15.072 -9.741 1.00 0.00 C ATOM 1203 C GLU A 77 -6.177 -13.790 -10.437 1.00 0.00 C ATOM 1204 O GLU A 77 -5.780 -13.820 -11.602 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.180 -15.156 -9.726 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.791 -15.636 -11.045 1.00 0.00 C ATOM 1207 CD GLU A 77 -9.242 -17.091 -10.952 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.196 -17.383 -10.186 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -8.688 -17.948 -11.674 1.00 0.00 O ATOM 0 H GLU A 77 -6.989 -15.082 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.224 -15.915 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.489 -15.831 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.585 -14.173 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.641 -15.006 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.060 -15.531 -11.846 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.208 -12.655 -9.736 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.763 -11.374 -10.254 1.00 0.00 C ATOM 1218 C ALA A 78 -4.238 -11.376 -10.399 1.00 0.00 C ATOM 1219 O ALA A 78 -3.738 -10.997 -11.454 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.269 -10.249 -9.348 1.00 0.00 C ATOM 0 H ALA A 78 -6.550 -12.607 -8.776 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.179 -11.201 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.934 -9.288 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.358 -10.268 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.876 -10.388 -8.341 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.492 -11.836 -9.388 1.00 0.00 N ATOM 1227 CA LEU A 79 -2.035 -11.963 -9.462 1.00 0.00 C ATOM 1228 C LEU A 79 -1.625 -12.931 -10.566 1.00 0.00 C ATOM 1229 O LEU A 79 -0.656 -12.669 -11.268 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.432 -12.406 -8.110 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.550 -11.298 -7.512 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.322 -11.528 -6.019 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.809 -11.220 -8.220 1.00 0.00 C ATOM 0 H LEU A 79 -3.884 -12.131 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.638 -10.976 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.233 -12.654 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.841 -13.311 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.079 -10.356 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.305 -10.731 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.281 -11.530 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.173 -12.488 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.407 -10.426 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.330 -12.171 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.656 -11.007 -9.278 1.00 0.00 H new ATOM 1245 N SER A 80 -2.368 -14.019 -10.746 1.00 0.00 N ATOM 1246 CA SER A 80 -2.134 -14.996 -11.801 1.00 0.00 C ATOM 1247 C SER A 80 -2.382 -14.367 -13.177 1.00 0.00 C ATOM 1248 O SER A 80 -1.598 -14.568 -14.102 1.00 0.00 O ATOM 1249 CB SER A 80 -3.033 -16.213 -11.553 1.00 0.00 C ATOM 1250 OG SER A 80 -2.709 -16.821 -10.311 1.00 0.00 O ATOM 0 H SER A 80 -3.164 -14.249 -10.151 1.00 0.00 H new ATOM 0 HA SER A 80 -1.095 -15.324 -11.788 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.079 -15.907 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.911 -16.934 -12.361 1.00 0.00 H new ATOM 0 HG SER A 80 -3.246 -16.416 -9.598 1.00 0.00 H new ATOM 1256 N MET A 81 -3.439 -13.559 -13.316 1.00 0.00 N ATOM 1257 CA MET A 81 -3.766 -12.853 -14.549 1.00 0.00 C ATOM 1258 C MET A 81 -2.712 -11.788 -14.849 1.00 0.00 C ATOM 1259 O MET A 81 -2.351 -11.592 -16.009 1.00 0.00 O ATOM 1260 CB MET A 81 -5.180 -12.266 -14.410 1.00 0.00 C ATOM 1261 CG MET A 81 -5.694 -11.534 -15.651 1.00 0.00 C ATOM 1262 SD MET A 81 -7.435 -11.053 -15.486 1.00 0.00 S ATOM 1263 CE MET A 81 -7.704 -10.247 -17.086 1.00 0.00 C ATOM 0 H MET A 81 -4.099 -13.378 -12.560 1.00 0.00 H new ATOM 0 HA MET A 81 -3.759 -13.536 -15.399 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.872 -13.073 -14.169 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.190 -11.575 -13.567 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.087 -10.645 -15.824 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.577 -12.175 -16.524 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.733 -9.892 -17.146 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.022 -9.403 -17.187 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.519 -10.961 -17.889 1.00 0.00 H new ATOM 1273 N LEU A 82 -2.212 -11.102 -13.815 1.00 0.00 N ATOM 1274 CA LEU A 82 -1.116 -10.145 -13.905 1.00 0.00 C ATOM 1275 C LEU A 82 0.126 -10.866 -14.407 1.00 0.00 C ATOM 1276 O LEU A 82 0.613 -10.548 -15.488 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.916 -9.468 -12.538 1.00 0.00 C ATOM 1278 CG LEU A 82 0.444 -8.783 -12.305 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.686 -7.621 -13.273 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.498 -8.267 -10.864 1.00 0.00 C ATOM 0 H LEU A 82 -2.573 -11.204 -12.867 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.340 -9.351 -14.618 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.701 -8.723 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.058 -10.219 -11.761 1.00 0.00 H new ATOM 0 HG LEU A 82 1.226 -9.521 -12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.658 -7.172 -13.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.667 -7.991 -14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.095 -6.871 -13.144 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.457 -7.780 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.308 -7.551 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.383 -9.103 -10.174 1.00 0.00 H new ATOM 1292 N LYS A 83 0.612 -11.844 -13.642 1.00 0.00 N ATOM 1293 CA LYS A 83 1.855 -12.544 -13.919 1.00 0.00 C ATOM 1294 C LYS A 83 1.811 -13.177 -15.303 1.00 0.00 C ATOM 1295 O LYS A 83 2.733 -12.971 -16.089 1.00 0.00 O ATOM 1296 CB LYS A 83 2.104 -13.585 -12.820 1.00 0.00 C ATOM 1297 CG LYS A 83 3.528 -14.155 -12.810 1.00 0.00 C ATOM 1298 CD LYS A 83 4.556 -13.250 -12.111 1.00 0.00 C ATOM 1299 CE LYS A 83 5.148 -12.146 -12.995 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.255 -11.449 -12.312 1.00 0.00 N ATOM 0 H LYS A 83 0.141 -12.173 -12.799 1.00 0.00 H new ATOM 0 HA LYS A 83 2.686 -11.839 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.899 -13.131 -11.851 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.397 -14.405 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.517 -15.126 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.848 -14.325 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.082 -12.788 -11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.370 -13.871 -11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.508 -12.578 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.369 -11.429 -13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.635 -10.708 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.904 -11.017 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.007 -12.131 -12.086 1.00 0.00 H new ATOM 1314 N GLY A 84 0.729 -13.900 -15.583 1.00 0.00 N ATOM 1315 CA GLY A 84 0.444 -14.596 -16.822 1.00 0.00 C ATOM 1316 C GLY A 84 0.241 -16.088 -16.589 1.00 0.00 C ATOM 1317 O GLY A 84 -0.474 -16.726 -17.367 1.00 0.00 O ATOM 0 H GLY A 84 -0.019 -14.019 -14.899 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.450 -14.173 -17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.265 -14.444 -17.523 1.00 0.00 H new ATOM 1321 N SER A 85 0.782 -16.623 -15.494 1.00 0.00 N ATOM 1322 CA SER A 85 0.608 -17.990 -15.033 1.00 0.00 C ATOM 1323 C SER A 85 0.405 -17.966 -13.516 1.00 0.00 C ATOM 1324 O SER A 85 0.518 -16.915 -12.883 1.00 0.00 O ATOM 1325 CB SER A 85 1.836 -18.822 -15.421 1.00 0.00 C ATOM 1326 OG SER A 85 2.004 -18.895 -16.822 1.00 0.00 O ATOM 0 H SER A 85 1.385 -16.080 -14.876 1.00 0.00 H new ATOM 0 HA SER A 85 -0.264 -18.448 -15.499 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.727 -18.385 -14.971 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.735 -19.828 -15.015 1.00 0.00 H new ATOM 0 HG SER A 85 2.797 -19.432 -17.029 1.00 0.00 H new ATOM 1332 N THR A 86 0.078 -19.119 -12.937 1.00 0.00 N ATOM 1333 CA THR A 86 -0.259 -19.259 -11.529 1.00 0.00 C ATOM 1334 C THR A 86 0.906 -18.823 -10.635 1.00 0.00 C ATOM 1335 O THR A 86 2.068 -19.142 -10.891 1.00 0.00 O ATOM 1336 CB THR A 86 -0.694 -20.710 -11.210 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.697 -21.560 -12.354 1.00 0.00 O ATOM 1338 CG2 THR A 86 -2.107 -20.726 -10.618 1.00 0.00 C ATOM 0 H THR A 86 0.040 -20.000 -13.449 1.00 0.00 H new ATOM 0 HA THR A 86 -1.101 -18.600 -11.318 1.00 0.00 H new ATOM 0 HB THR A 86 0.041 -21.088 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.978 -22.461 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.398 -21.753 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.123 -20.141 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.807 -20.295 -11.334 1.00 0.00 H new ATOM 1346 N VAL A 87 0.570 -18.145 -9.544 1.00 0.00 N ATOM 1347 CA VAL A 87 1.469 -17.720 -8.483 1.00 0.00 C ATOM 1348 C VAL A 87 0.910 -18.353 -7.215 1.00 0.00 C ATOM 1349 O VAL A 87 -0.317 -18.455 -7.072 1.00 0.00 O ATOM 1350 CB VAL A 87 1.459 -16.178 -8.445 1.00 0.00 C ATOM 1351 CG1 VAL A 87 2.323 -15.634 -7.308 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.960 -15.571 -9.766 1.00 0.00 C ATOM 0 H VAL A 87 -0.394 -17.862 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 87 2.507 -18.026 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 87 0.420 -15.890 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.290 -14.545 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.944 -16.002 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.352 -15.966 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.937 -14.483 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.981 -15.902 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.317 -15.897 -10.583 1.00 0.00 H new ATOM 1362 N GLU A 88 1.771 -18.787 -6.290 1.00 0.00 N ATOM 1363 CA GLU A 88 1.277 -19.274 -5.014 1.00 0.00 C ATOM 1364 C GLU A 88 1.085 -18.018 -4.184 1.00 0.00 C ATOM 1365 O GLU A 88 1.983 -17.591 -3.458 1.00 0.00 O ATOM 1366 CB GLU A 88 2.245 -20.272 -4.370 1.00 0.00 C ATOM 1367 CG GLU A 88 2.468 -21.513 -5.240 1.00 0.00 C ATOM 1368 CD GLU A 88 2.533 -22.765 -4.374 1.00 0.00 C ATOM 1369 OE1 GLU A 88 3.603 -23.088 -3.803 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.470 -23.408 -4.219 1.00 0.00 O ATOM 0 H GLU A 88 2.785 -18.809 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 88 0.348 -19.836 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.201 -19.781 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.855 -20.577 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.660 -21.606 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.393 -21.406 -5.806 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.080 -17.390 -4.340 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.421 -16.221 -3.563 1.00 0.00 C ATOM 1379 C LEU A 89 -0.875 -16.715 -2.204 1.00 0.00 C ATOM 1380 O LEU A 89 -1.922 -17.355 -2.108 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.471 -15.349 -4.236 1.00 0.00 C ATOM 1382 CG LEU A 89 -1.971 -14.252 -3.274 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -0.965 -13.260 -2.697 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -2.955 -13.402 -4.031 1.00 0.00 C ATOM 0 H LEU A 89 -0.799 -17.680 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 89 0.449 -15.572 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.050 -14.890 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.310 -15.966 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.345 -14.824 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.481 -12.558 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.208 -13.799 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.486 -12.713 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.331 -12.613 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.462 -12.956 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.787 -14.021 -4.368 1.00 0.00 H new ATOM 1396 N THR A 90 -0.114 -16.400 -1.169 1.00 0.00 N ATOM 1397 CA THR A 90 -0.433 -16.746 0.202 1.00 0.00 C ATOM 1398 C THR A 90 -0.625 -15.437 0.967 1.00 0.00 C ATOM 1399 O THR A 90 -0.146 -14.389 0.532 1.00 0.00 O ATOM 1400 CB THR A 90 0.724 -17.583 0.779 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.239 -18.497 -0.190 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.303 -18.371 2.023 1.00 0.00 C ATOM 0 H THR A 90 0.762 -15.885 -1.263 1.00 0.00 H new ATOM 0 HA THR A 90 -1.344 -17.340 0.278 1.00 0.00 H new ATOM 0 HB THR A 90 1.500 -16.871 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.973 -19.013 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.152 -18.946 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.032 -17.679 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.510 -19.050 1.766 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.332 -15.468 2.091 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.479 -14.340 2.990 1.00 0.00 C ATOM 1412 C ILE A 91 -0.970 -14.873 4.324 1.00 0.00 C ATOM 1413 O ILE A 91 -1.389 -15.960 4.731 1.00 0.00 O ATOM 1414 CB ILE A 91 -2.929 -13.808 3.084 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.695 -13.968 1.753 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -2.849 -12.350 3.570 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.006 -13.221 1.652 1.00 0.00 C ATOM 0 H ILE A 91 -1.829 -16.301 2.406 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.923 -13.471 2.640 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.508 -14.395 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.047 -13.637 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.890 -15.028 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.855 -11.937 3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.365 -12.318 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.270 -11.761 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.456 -13.406 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.682 -13.565 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.826 -12.153 1.772 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.069 -14.142 4.967 1.00 0.00 N ATOM 1430 CA VAL A 92 0.451 -14.446 6.297 1.00 0.00 C ATOM 1431 C VAL A 92 0.163 -13.235 7.190 1.00 0.00 C ATOM 1432 O VAL A 92 0.030 -12.128 6.666 1.00 0.00 O ATOM 1433 CB VAL A 92 1.945 -14.836 6.218 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.158 -16.002 5.241 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.873 -13.691 5.790 1.00 0.00 C ATOM 0 H VAL A 92 0.334 -13.295 4.566 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.040 -15.314 6.738 1.00 0.00 H new ATOM 0 HB VAL A 92 2.208 -15.118 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.217 -16.257 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.588 -16.868 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.820 -15.710 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.902 -14.049 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.583 -13.338 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.794 -12.872 6.505 1.00 0.00 H new ATOM 1445 N GLU A 93 0.052 -13.399 8.509 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.142 -12.255 9.395 1.00 0.00 C ATOM 1447 C GLU A 93 1.228 -11.683 9.731 1.00 0.00 C ATOM 1448 O GLU A 93 2.147 -12.442 10.049 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.805 -12.637 10.723 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.974 -13.611 10.662 1.00 0.00 C ATOM 1451 CD GLU A 93 -3.180 -13.147 9.850 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -3.999 -12.372 10.392 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -3.434 -13.727 8.770 1.00 0.00 O ATOM 0 H GLU A 93 0.093 -14.302 8.981 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.789 -11.547 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.041 -13.066 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.152 -11.722 11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.618 -14.552 10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.303 -13.819 11.680 1.00 0.00 H new ATOM 1460 N ASP A 94 1.413 -10.373 9.624 1.00 0.00 N ATOM 1461 CA ASP A 94 2.638 -9.723 10.053 1.00 0.00 C ATOM 1462 C ASP A 94 2.310 -8.386 10.694 1.00 0.00 C ATOM 1463 O ASP A 94 2.169 -7.384 9.994 1.00 0.00 O ATOM 1464 CB ASP A 94 3.629 -9.604 8.907 1.00 0.00 C ATOM 1465 CG ASP A 94 5.047 -9.487 9.438 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.263 -8.957 10.551 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.941 -9.964 8.706 1.00 0.00 O ATOM 0 H ASP A 94 0.717 -9.735 9.238 1.00 0.00 H new ATOM 0 HA ASP A 94 3.129 -10.338 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.549 -10.476 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.389 -8.731 8.300 1.00 0.00 H new ATOM 1472 N ASP A 95 2.112 -8.390 12.010 1.00 0.00 N ATOM 1473 CA ASP A 95 1.668 -7.240 12.799 1.00 0.00 C ATOM 1474 C ASP A 95 2.450 -5.962 12.471 1.00 0.00 C ATOM 1475 O ASP A 95 1.833 -4.963 12.106 1.00 0.00 O ATOM 1476 CB ASP A 95 1.649 -7.583 14.301 1.00 0.00 C ATOM 1477 CG ASP A 95 3.005 -7.445 14.992 1.00 0.00 C ATOM 1478 OD1 ASP A 95 3.991 -8.068 14.529 1.00 0.00 O ATOM 1479 OD2 ASP A 95 3.099 -6.663 15.966 1.00 0.00 O ATOM 0 H ASP A 95 2.261 -9.224 12.578 1.00 0.00 H new ATOM 0 HA ASP A 95 0.640 -7.015 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.931 -6.933 14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.293 -8.606 14.424 1.00 0.00 H new ATOM 1522 N VAL A 99 8.529 -3.378 7.072 1.00 0.00 N ATOM 1523 CA VAL A 99 8.177 -3.174 5.666 1.00 0.00 C ATOM 1524 C VAL A 99 6.884 -2.368 5.631 1.00 0.00 C ATOM 1525 O VAL A 99 6.081 -2.439 6.574 1.00 0.00 O ATOM 1526 CB VAL A 99 8.039 -4.528 4.943 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.963 -4.341 3.422 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.216 -5.460 5.250 1.00 0.00 C ATOM 0 HA VAL A 99 8.959 -2.626 5.141 1.00 0.00 H new ATOM 0 HB VAL A 99 7.116 -4.976 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.866 -5.314 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.098 -3.725 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.871 -3.851 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.080 -6.404 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.145 -4.992 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.261 -5.648 6.323 1.00 0.00 H new ATOM 1538 N ARG A 100 6.683 -1.572 4.581 1.00 0.00 N ATOM 1539 CA ARG A 100 5.485 -0.773 4.387 1.00 0.00 C ATOM 1540 C ARG A 100 4.570 -1.468 3.385 1.00 0.00 C ATOM 1541 O ARG A 100 5.051 -2.085 2.438 1.00 0.00 O ATOM 1542 CB ARG A 100 5.869 0.615 3.857 1.00 0.00 C ATOM 1543 CG ARG A 100 6.966 1.327 4.668 1.00 0.00 C ATOM 1544 CD ARG A 100 6.771 2.844 4.645 1.00 0.00 C ATOM 1545 NE ARG A 100 5.714 3.259 5.585 1.00 0.00 N ATOM 1546 CZ ARG A 100 5.865 3.458 6.901 1.00 0.00 C ATOM 1547 NH1 ARG A 100 7.036 3.275 7.500 1.00 0.00 N ATOM 1548 NH2 ARG A 100 4.833 3.825 7.649 1.00 0.00 N ATOM 0 H ARG A 100 7.365 -1.466 3.830 1.00 0.00 H new ATOM 0 HA ARG A 100 4.965 -0.662 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.205 0.516 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.979 1.244 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.950 0.971 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.945 1.077 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.707 3.338 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.511 3.165 3.636 1.00 0.00 H new ATOM 0 HE ARG A 100 4.782 3.408 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.846 2.976 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.126 3.433 8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.916 3.958 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.957 3.974 8.650 1.00 0.00 H new ATOM 1562 N THR A 101 3.266 -1.401 3.621 1.00 0.00 N ATOM 1563 CA THR A 101 2.240 -1.882 2.705 1.00 0.00 C ATOM 1564 C THR A 101 2.089 -0.797 1.612 1.00 0.00 C ATOM 1565 O THR A 101 2.649 0.288 1.786 1.00 0.00 O ATOM 1566 CB THR A 101 0.952 -2.111 3.521 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.357 -0.884 3.897 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.173 -2.918 4.812 1.00 0.00 C ATOM 0 H THR A 101 2.883 -1.000 4.477 1.00 0.00 H new ATOM 0 HA THR A 101 2.485 -2.828 2.221 1.00 0.00 H new ATOM 0 HB THR A 101 0.305 -2.680 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.585 -0.881 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.223 -3.039 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.578 -3.899 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.875 -2.389 5.456 1.00 0.00 H new ATOM 1576 N PRO A 102 1.299 -0.959 0.534 1.00 0.00 N ATOM 1577 CA PRO A 102 1.175 0.098 -0.468 1.00 0.00 C ATOM 1578 C PRO A 102 0.420 1.313 0.102 1.00 0.00 C ATOM 1579 O PRO A 102 0.591 2.444 -0.361 1.00 0.00 O ATOM 1580 CB PRO A 102 0.503 -0.559 -1.671 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.259 -1.743 -1.099 1.00 0.00 C ATOM 1582 CD PRO A 102 0.463 -2.094 0.202 1.00 0.00 C ATOM 0 HA PRO A 102 2.136 0.512 -0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.168 0.136 -2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.240 -0.882 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.302 -1.487 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.255 -2.585 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.252 -2.294 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.064 -2.995 0.080 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.401 1.100 1.138 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.080 2.158 1.875 1.00 0.00 C ATOM 1592 C LEU A 103 -0.028 2.907 2.693 1.00 0.00 C ATOM 1593 O LEU A 103 0.093 4.126 2.599 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.145 1.536 2.791 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.289 2.469 3.228 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.094 1.742 4.310 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.855 3.836 3.766 1.00 0.00 C ATOM 0 H LEU A 103 -0.612 0.166 1.490 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.579 2.852 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.579 0.677 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.650 1.157 3.685 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.870 2.687 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.915 2.378 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.496 0.814 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.445 1.516 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.736 4.414 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.220 3.698 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.300 4.371 2.995 1.00 0.00 H new ATOM 1609 N GLU A 104 0.766 2.177 3.479 1.00 0.00 N ATOM 1610 CA GLU A 104 1.808 2.769 4.300 1.00 0.00 C ATOM 1611 C GLU A 104 2.899 3.408 3.434 1.00 0.00 C ATOM 1612 O GLU A 104 3.552 4.330 3.913 1.00 0.00 O ATOM 1613 CB GLU A 104 2.369 1.718 5.267 1.00 0.00 C ATOM 1614 CG GLU A 104 1.423 1.400 6.435 1.00 0.00 C ATOM 1615 CD GLU A 104 1.172 2.591 7.371 1.00 0.00 C ATOM 1616 OE1 GLU A 104 2.037 3.491 7.503 1.00 0.00 O ATOM 1617 OE2 GLU A 104 0.103 2.629 8.022 1.00 0.00 O ATOM 0 H GLU A 104 0.700 1.162 3.560 1.00 0.00 H new ATOM 0 HA GLU A 104 1.379 3.574 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.575 0.801 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.320 2.072 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.469 1.057 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.840 0.576 7.014 1.00 0.00 H new ATOM 1624 N TRP A 105 3.101 2.974 2.185 1.00 0.00 N ATOM 1625 CA TRP A 105 4.017 3.604 1.240 1.00 0.00 C ATOM 1626 C TRP A 105 3.441 4.943 0.808 1.00 0.00 C ATOM 1627 O TRP A 105 4.143 5.942 0.897 1.00 0.00 O ATOM 1628 CB TRP A 105 4.297 2.719 0.017 1.00 0.00 C ATOM 1629 CG TRP A 105 5.489 1.833 0.159 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.491 0.483 0.172 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.883 2.236 0.297 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.783 0.025 0.335 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.681 1.067 0.463 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.545 3.483 0.316 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.059 1.140 0.715 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.935 3.565 0.528 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.683 2.399 0.768 1.00 0.00 C ATOM 0 H TRP A 105 2.622 2.160 1.800 1.00 0.00 H new ATOM 0 HA TRP A 105 4.973 3.752 1.742 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.421 2.101 -0.177 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.436 3.358 -0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.616 -0.142 0.070 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.043 -0.961 0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.976 4.389 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.635 0.239 0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.427 4.526 0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.737 2.470 0.993 1.00 0.00 H new ATOM 1648 N ARG A 106 2.171 4.997 0.384 1.00 0.00 N ATOM 1649 CA ARG A 106 1.484 6.256 0.072 1.00 0.00 C ATOM 1650 C ARG A 106 1.680 7.221 1.238 1.00 0.00 C ATOM 1651 O ARG A 106 2.154 8.339 1.057 1.00 0.00 O ATOM 1652 CB ARG A 106 0.003 5.952 -0.229 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.912 7.181 -0.352 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.401 6.831 -0.224 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.030 6.425 -1.488 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.217 5.184 -1.948 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.493 4.162 -1.501 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.134 5.004 -2.890 1.00 0.00 N ATOM 0 H ARG A 106 1.592 4.169 0.248 1.00 0.00 H new ATOM 0 HA ARG A 106 1.898 6.736 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.052 5.385 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.386 5.309 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.646 7.904 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.738 7.662 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.513 6.025 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.934 7.695 0.174 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.364 7.181 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.776 4.316 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.654 3.224 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.669 5.799 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.304 4.071 -3.265 1.00 0.00 H new ATOM 1672 N GLN A 107 1.340 6.775 2.442 1.00 0.00 N ATOM 1673 CA GLN A 107 1.412 7.601 3.634 1.00 0.00 C ATOM 1674 C GLN A 107 2.862 8.023 3.915 1.00 0.00 C ATOM 1675 O GLN A 107 3.096 9.159 4.335 1.00 0.00 O ATOM 1676 CB GLN A 107 0.791 6.812 4.802 1.00 0.00 C ATOM 1677 CG GLN A 107 0.333 7.709 5.962 1.00 0.00 C ATOM 1678 CD GLN A 107 -1.183 7.694 6.139 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.756 6.747 6.673 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -1.869 8.724 5.671 1.00 0.00 N ATOM 0 H GLN A 107 1.006 5.827 2.616 1.00 0.00 H new ATOM 0 HA GLN A 107 0.850 8.524 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.062 6.241 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.520 6.092 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.808 7.377 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.666 8.731 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.381 9.504 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.886 8.738 5.751 1.00 0.00 H new ATOM 1689 N ALA A 108 3.838 7.139 3.697 1.00 0.00 N ATOM 1690 CA ALA A 108 5.245 7.443 3.924 1.00 0.00 C ATOM 1691 C ALA A 108 5.789 8.429 2.906 1.00 0.00 C ATOM 1692 O ALA A 108 6.570 9.277 3.301 1.00 0.00 O ATOM 1693 CB ALA A 108 6.097 6.180 3.886 1.00 0.00 C ATOM 0 H ALA A 108 3.671 6.192 3.358 1.00 0.00 H new ATOM 0 HA ALA A 108 5.301 7.894 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.141 6.440 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.762 5.491 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.998 5.704 2.911 1.00 0.00 H new ATOM 1699 N ILE A 109 5.392 8.361 1.638 1.00 0.00 N ATOM 1700 CA ILE A 109 5.844 9.283 0.593 1.00 0.00 C ATOM 1701 C ILE A 109 5.415 10.714 0.955 1.00 0.00 C ATOM 1702 O ILE A 109 6.102 11.680 0.615 1.00 0.00 O ATOM 1703 CB ILE A 109 5.296 8.802 -0.770 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.950 7.463 -1.194 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.401 9.845 -1.897 1.00 0.00 C ATOM 1706 CD1 ILE A 109 7.242 7.543 -2.016 1.00 0.00 C ATOM 0 H ILE A 109 4.738 7.655 1.300 1.00 0.00 H new ATOM 0 HA ILE A 109 6.931 9.294 0.516 1.00 0.00 H new ATOM 0 HB ILE A 109 4.229 8.645 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.159 6.889 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.218 6.897 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.995 9.427 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.836 10.736 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.447 10.112 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.591 6.536 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.049 8.079 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.005 8.071 -1.444 1.00 0.00 H new ATOM 1718 N TYR A 110 4.299 10.875 1.675 1.00 0.00 N ATOM 1719 CA TYR A 110 3.882 12.184 2.143 1.00 0.00 C ATOM 1720 C TYR A 110 4.871 12.647 3.198 1.00 0.00 C ATOM 1721 O TYR A 110 5.478 13.710 3.064 1.00 0.00 O ATOM 1722 CB TYR A 110 2.449 12.168 2.693 1.00 0.00 C ATOM 1723 CG TYR A 110 1.990 13.562 3.071 1.00 0.00 C ATOM 1724 CD1 TYR A 110 2.310 14.068 4.344 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.339 14.391 2.135 1.00 0.00 C ATOM 1726 CE1 TYR A 110 2.041 15.407 4.658 1.00 0.00 C ATOM 1727 CE2 TYR A 110 1.049 15.733 2.455 1.00 0.00 C ATOM 1728 CZ TYR A 110 1.432 16.257 3.714 1.00 0.00 C ATOM 1729 OH TYR A 110 1.267 17.568 4.034 1.00 0.00 O ATOM 0 H TYR A 110 3.676 10.112 1.941 1.00 0.00 H new ATOM 0 HA TYR A 110 3.876 12.881 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.775 11.751 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.399 11.517 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.764 13.423 5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.061 13.996 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.303 15.791 5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.536 16.360 1.741 1.00 0.00 H new ATOM 0 HH TYR A 110 0.835 18.035 3.289 1.00 0.00 H new