USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 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 41 GLN : amide:sc= -3.42! K(o=-6.6!,f=-2.5) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.18! K(o=-6.6!,f=-3.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 120:sc= -0.0448 USER MOD Single : A 62 THR OG1 : rot 179:sc= 0.271 USER MOD Single : A 65 THR OG1 : rot 37:sc= 0.284 USER MOD Single : A 69 THR OG1 : rot 88:sc= 0.0154 USER MOD Single : A 71 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 116:sc= 0.711 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 0.141 (180deg=0.104) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 66:sc= 0.635 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.060 5.623 1.600 1.00 0.00 N ATOM 200 CA LEU A 18 139.399 5.086 1.811 1.00 0.00 C ATOM 201 C LEU A 18 140.344 6.167 2.328 1.00 0.00 C ATOM 202 O LEU A 18 140.685 7.103 1.606 1.00 0.00 O ATOM 203 CB LEU A 18 139.946 4.493 0.511 1.00 0.00 C ATOM 204 CG LEU A 18 139.060 3.428 -0.138 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.482 3.188 -1.579 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.115 2.134 0.659 1.00 0.00 C ATOM 0 HA LEU A 18 139.332 4.298 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.098 5.302 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.924 4.057 0.712 1.00 0.00 H new ATOM 0 HG LEU A 18 138.031 3.788 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.841 2.427 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.391 4.116 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.518 2.849 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.479 1.387 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.142 1.770 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.763 2.317 1.674 1.00 0.00 H new ATOM 218 N GLU A 19 140.763 6.029 3.581 1.00 0.00 N ATOM 219 CA GLU A 19 141.670 6.993 4.194 1.00 0.00 C ATOM 220 C GLU A 19 142.671 6.294 5.108 1.00 0.00 C ATOM 221 O GLU A 19 142.581 5.089 5.338 1.00 0.00 O ATOM 222 CB GLU A 19 140.878 8.036 4.986 1.00 0.00 C ATOM 223 CG GLU A 19 139.943 7.432 6.022 1.00 0.00 C ATOM 224 CD GLU A 19 138.972 8.446 6.592 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.435 9.259 5.810 1.00 0.00 O ATOM 226 OE2 GLU A 19 138.749 8.429 7.820 1.00 0.00 O ATOM 0 H GLU A 19 140.489 5.259 4.192 1.00 0.00 H new ATOM 0 HA GLU A 19 142.222 7.493 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.576 8.707 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.295 8.642 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.384 6.614 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.533 7.004 6.832 1.00 0.00 H new ATOM 233 N VAL A 20 143.626 7.060 5.626 1.00 0.00 N ATOM 234 CA VAL A 20 144.644 6.514 6.516 1.00 0.00 C ATOM 235 C VAL A 20 144.014 5.893 7.757 1.00 0.00 C ATOM 236 O VAL A 20 143.157 6.499 8.401 1.00 0.00 O ATOM 237 CB VAL A 20 145.649 7.598 6.952 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.811 6.976 7.710 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.147 8.381 5.747 1.00 0.00 C ATOM 0 H VAL A 20 143.716 8.060 5.445 1.00 0.00 H new ATOM 0 HA VAL A 20 145.173 5.743 5.956 1.00 0.00 H new ATOM 0 HB VAL A 20 145.139 8.291 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.510 7.757 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.435 6.466 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.322 6.259 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 20 146.855 9.142 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.640 7.703 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.303 8.861 5.251 1.00 0.00 H new ATOM 249 N GLY A 21 144.445 4.680 8.089 1.00 0.00 N ATOM 250 CA GLY A 21 143.912 3.996 9.253 1.00 0.00 C ATOM 251 C GLY A 21 142.916 2.914 8.885 1.00 0.00 C ATOM 252 O GLY A 21 142.848 1.876 9.542 1.00 0.00 O ATOM 0 H GLY A 21 145.154 4.159 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.733 3.553 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.430 4.722 9.908 1.00 0.00 H new ATOM 256 N SER A 22 142.142 3.158 7.834 1.00 0.00 N ATOM 257 CA SER A 22 141.145 2.196 7.379 1.00 0.00 C ATOM 258 C SER A 22 141.791 1.093 6.546 1.00 0.00 C ATOM 259 O SER A 22 142.817 1.309 5.902 1.00 0.00 O ATOM 260 CB SER A 22 140.061 2.901 6.561 1.00 0.00 C ATOM 261 OG SER A 22 139.134 3.563 7.404 1.00 0.00 O ATOM 0 H SER A 22 142.186 4.014 7.281 1.00 0.00 H new ATOM 0 HA SER A 22 140.689 1.741 8.258 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.522 3.622 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.538 2.173 5.941 1.00 0.00 H new ATOM 0 HG SER A 22 138.453 4.007 6.857 1.00 0.00 H new ATOM 267 N LEU A 23 141.182 -0.088 6.563 1.00 0.00 N ATOM 268 CA LEU A 23 141.698 -1.224 5.809 1.00 0.00 C ATOM 269 C LEU A 23 141.307 -1.125 4.338 1.00 0.00 C ATOM 270 O LEU A 23 140.274 -0.549 3.998 1.00 0.00 O ATOM 271 CB LEU A 23 141.177 -2.535 6.399 1.00 0.00 C ATOM 272 CG LEU A 23 141.354 -2.680 7.911 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.277 -3.584 8.491 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.738 -3.221 8.235 1.00 0.00 C ATOM 0 H LEU A 23 140.331 -0.283 7.090 1.00 0.00 H new ATOM 0 HA LEU A 23 142.786 -1.209 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.117 -2.626 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.686 -3.364 5.908 1.00 0.00 H new ATOM 0 HG LEU A 23 141.255 -1.694 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.420 -3.675 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.295 -3.155 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.343 -4.570 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 23 142.847 -3.318 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.865 -4.198 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.495 -2.535 7.854 1.00 0.00 H new ATOM 286 N ALA A 24 142.140 -1.689 3.470 1.00 0.00 N ATOM 287 CA ALA A 24 141.882 -1.663 2.035 1.00 0.00 C ATOM 288 C ALA A 24 142.477 -2.887 1.349 1.00 0.00 C ATOM 289 O ALA A 24 143.416 -3.502 1.856 1.00 0.00 O ATOM 290 CB ALA A 24 142.439 -0.388 1.421 1.00 0.00 C ATOM 0 H ALA A 24 143.000 -2.170 3.735 1.00 0.00 H new ATOM 0 HA ALA A 24 140.803 -1.683 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 24 142.239 -0.383 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.963 0.477 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.515 -0.343 1.589 1.00 0.00 H new ATOM 296 N GLU A 25 141.926 -3.237 0.191 1.00 0.00 N ATOM 297 CA GLU A 25 142.403 -4.388 -0.566 1.00 0.00 C ATOM 298 C GLU A 25 142.632 -4.020 -2.029 1.00 0.00 C ATOM 299 O GLU A 25 141.891 -3.223 -2.602 1.00 0.00 O ATOM 300 CB GLU A 25 141.401 -5.540 -0.470 1.00 0.00 C ATOM 301 CG GLU A 25 142.005 -6.899 -0.780 1.00 0.00 C ATOM 302 CD GLU A 25 141.078 -7.776 -1.599 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.847 -7.577 -1.520 1.00 0.00 O ATOM 304 OE2 GLU A 25 141.583 -8.664 -2.319 1.00 0.00 O ATOM 0 H GLU A 25 141.149 -2.740 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 25 143.353 -4.705 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.978 -5.560 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.577 -5.352 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.941 -6.762 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.248 -7.406 0.154 1.00 0.00 H new ATOM 311 N VAL A 26 143.664 -4.607 -2.627 1.00 0.00 N ATOM 312 CA VAL A 26 143.992 -4.340 -4.022 1.00 0.00 C ATOM 313 C VAL A 26 143.563 -5.497 -4.918 1.00 0.00 C ATOM 314 O VAL A 26 143.381 -6.622 -4.450 1.00 0.00 O ATOM 315 CB VAL A 26 145.500 -4.093 -4.208 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.793 -3.607 -5.619 1.00 0.00 C ATOM 317 CG2 VAL A 26 146.010 -3.097 -3.177 1.00 0.00 C ATOM 0 H VAL A 26 144.287 -5.271 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 26 143.447 -3.440 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 26 146.024 -5.037 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.864 -3.438 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.467 -4.359 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.258 -2.675 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 26 147.078 -2.935 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.480 -2.151 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.838 -3.490 -2.175 1.00 0.00 H new ATOM 327 N LYS A 27 143.402 -5.215 -6.206 1.00 0.00 N ATOM 328 CA LYS A 27 142.994 -6.233 -7.167 1.00 0.00 C ATOM 329 C LYS A 27 144.201 -6.795 -7.911 1.00 0.00 C ATOM 330 O LYS A 27 144.125 -7.090 -9.103 1.00 0.00 O ATOM 331 CB LYS A 27 141.991 -5.650 -8.164 1.00 0.00 C ATOM 332 CG LYS A 27 142.567 -4.539 -9.028 1.00 0.00 C ATOM 333 CD LYS A 27 141.949 -4.536 -10.418 1.00 0.00 C ATOM 334 CE LYS A 27 142.791 -5.328 -11.406 1.00 0.00 C ATOM 335 NZ LYS A 27 141.989 -6.363 -12.115 1.00 0.00 N ATOM 0 H LYS A 27 143.548 -4.289 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 27 142.519 -7.046 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.627 -6.449 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.130 -5.265 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 27 142.392 -3.576 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 27 143.647 -4.663 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 140.946 -4.960 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 141.845 -3.509 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 27 143.231 -4.648 -12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 27 143.616 -5.807 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 142.599 -6.881 -12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 141.590 -7.028 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 141.217 -5.905 -12.640 1.00 0.00 H new ATOM 349 N GLU A 28 145.314 -6.940 -7.199 1.00 0.00 N ATOM 350 CA GLU A 28 146.537 -7.467 -7.793 1.00 0.00 C ATOM 351 C GLU A 28 146.479 -8.988 -7.899 1.00 0.00 C ATOM 352 O GLU A 28 145.509 -9.614 -7.472 1.00 0.00 O ATOM 353 CB GLU A 28 147.753 -7.046 -6.964 1.00 0.00 C ATOM 354 CG GLU A 28 148.886 -6.467 -7.797 1.00 0.00 C ATOM 355 CD GLU A 28 150.212 -6.475 -7.064 1.00 0.00 C ATOM 356 OE1 GLU A 28 150.704 -7.575 -6.738 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.759 -5.379 -6.815 1.00 0.00 O ATOM 0 H GLU A 28 145.394 -6.700 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 28 146.631 -7.055 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 147.441 -6.307 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 28 148.123 -7.910 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.982 -7.039 -8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.638 -5.444 -8.080 1.00 0.00 H new ATOM 364 N ASN A 29 147.525 -9.576 -8.471 1.00 0.00 N ATOM 365 CA ASN A 29 147.594 -11.024 -8.632 1.00 0.00 C ATOM 366 C ASN A 29 147.522 -11.726 -7.277 1.00 0.00 C ATOM 367 O ASN A 29 146.628 -12.537 -7.037 1.00 0.00 O ATOM 368 CB ASN A 29 148.882 -11.416 -9.358 1.00 0.00 C ATOM 369 CG ASN A 29 148.671 -11.604 -10.847 1.00 0.00 C ATOM 370 OD1 ASN A 29 148.987 -12.657 -11.403 1.00 0.00 O ATOM 371 ND2 ASN A 29 148.135 -10.581 -11.504 1.00 0.00 N ATOM 0 H ASN A 29 148.336 -9.072 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 29 146.739 -11.341 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.636 -10.646 -9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 29 149.271 -12.340 -8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.970 -10.650 -12.508 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.888 -9.727 -11.004 1.00 0.00 H new ATOM 378 N PRO A 30 148.467 -11.421 -6.372 1.00 0.00 N ATOM 379 CA PRO A 30 148.507 -12.026 -5.039 1.00 0.00 C ATOM 380 C PRO A 30 147.460 -11.429 -4.099 1.00 0.00 C ATOM 381 O PRO A 30 147.579 -10.276 -3.682 1.00 0.00 O ATOM 382 CB PRO A 30 149.915 -11.691 -4.549 1.00 0.00 C ATOM 383 CG PRO A 30 150.256 -10.414 -5.236 1.00 0.00 C ATOM 384 CD PRO A 30 149.572 -10.463 -6.576 1.00 0.00 C ATOM 0 HA PRO A 30 148.289 -13.094 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.941 -11.578 -3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.622 -12.480 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.915 -9.557 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 30 151.335 -10.311 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 30 149.201 -9.482 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 30 150.251 -10.797 -7.360 1.00 0.00 H new ATOM 392 N PRO A 31 146.417 -12.204 -3.751 1.00 0.00 N ATOM 393 CA PRO A 31 145.353 -11.735 -2.857 1.00 0.00 C ATOM 394 C PRO A 31 145.844 -11.540 -1.426 1.00 0.00 C ATOM 395 O PRO A 31 145.741 -12.443 -0.595 1.00 0.00 O ATOM 396 CB PRO A 31 144.313 -12.857 -2.917 1.00 0.00 C ATOM 397 CG PRO A 31 145.088 -14.071 -3.297 1.00 0.00 C ATOM 398 CD PRO A 31 146.191 -13.592 -4.199 1.00 0.00 C ATOM 0 HA PRO A 31 144.966 -10.763 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.817 -12.989 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.536 -12.638 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.493 -14.567 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.453 -14.795 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 31 147.089 -14.200 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.899 -13.634 -5.248 1.00 0.00 H new ATOM 406 N PHE A 32 146.377 -10.356 -1.146 1.00 0.00 N ATOM 407 CA PHE A 32 146.885 -10.041 0.185 1.00 0.00 C ATOM 408 C PHE A 32 145.947 -9.083 0.912 1.00 0.00 C ATOM 409 O PHE A 32 144.998 -8.562 0.324 1.00 0.00 O ATOM 410 CB PHE A 32 148.283 -9.430 0.090 1.00 0.00 C ATOM 411 CG PHE A 32 148.404 -8.366 -0.964 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.687 -7.185 -0.859 1.00 0.00 C ATOM 413 CD2 PHE A 32 149.233 -8.548 -2.059 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.796 -6.205 -1.827 1.00 0.00 C ATOM 415 CE2 PHE A 32 149.346 -7.572 -3.030 1.00 0.00 C ATOM 416 CZ PHE A 32 148.626 -6.397 -2.914 1.00 0.00 C ATOM 0 H PHE A 32 146.469 -9.598 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 32 146.941 -10.969 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.551 -9.004 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 32 149.003 -10.221 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.036 -7.029 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.798 -9.464 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.232 -5.289 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.996 -7.726 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.713 -5.632 -3.671 1.00 0.00 H new ATOM 426 N TYR A 33 146.217 -8.856 2.193 1.00 0.00 N ATOM 427 CA TYR A 33 145.397 -7.958 2.999 1.00 0.00 C ATOM 428 C TYR A 33 146.269 -6.990 3.793 1.00 0.00 C ATOM 429 O TYR A 33 147.270 -7.387 4.389 1.00 0.00 O ATOM 430 CB TYR A 33 144.511 -8.763 3.952 1.00 0.00 C ATOM 431 CG TYR A 33 143.249 -9.290 3.306 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.405 -8.447 2.595 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.903 -10.632 3.406 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.251 -8.925 2.003 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.751 -11.118 2.817 1.00 0.00 C ATOM 436 CZ TYR A 33 140.929 -10.261 2.116 1.00 0.00 C ATOM 437 OH TYR A 33 139.781 -10.740 1.529 1.00 0.00 O ATOM 0 H TYR A 33 146.996 -9.281 2.695 1.00 0.00 H new ATOM 0 HA TYR A 33 144.765 -7.380 2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.085 -9.602 4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.240 -8.135 4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.654 -7.400 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.545 -11.307 3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.605 -8.255 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.496 -12.164 2.905 1.00 0.00 H new ATOM 0 HH TYR A 33 139.702 -11.701 1.702 1.00 0.00 H new ATOM 447 N GLY A 34 145.880 -5.719 3.796 1.00 0.00 N ATOM 448 CA GLY A 34 146.637 -4.715 4.519 1.00 0.00 C ATOM 449 C GLY A 34 145.778 -3.546 4.957 1.00 0.00 C ATOM 450 O GLY A 34 144.551 -3.643 4.984 1.00 0.00 O ATOM 0 H GLY A 34 145.055 -5.367 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.097 -5.172 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.447 -4.350 3.887 1.00 0.00 H new ATOM 454 N VAL A 35 146.423 -2.435 5.301 1.00 0.00 N ATOM 455 CA VAL A 35 145.710 -1.242 5.740 1.00 0.00 C ATOM 456 C VAL A 35 146.363 0.022 5.187 1.00 0.00 C ATOM 457 O VAL A 35 147.577 0.070 4.991 1.00 0.00 O ATOM 458 CB VAL A 35 145.657 -1.154 7.279 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.060 -1.060 7.861 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.809 0.029 7.720 1.00 0.00 C ATOM 0 H VAL A 35 147.438 -2.337 5.284 1.00 0.00 H new ATOM 0 HA VAL A 35 144.693 -1.319 5.355 1.00 0.00 H new ATOM 0 HB VAL A 35 145.193 -2.065 7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.000 -0.999 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.631 -1.944 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.555 -0.169 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.784 0.073 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.239 0.951 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.795 -0.088 7.339 1.00 0.00 H new ATOM 470 N ILE A 36 145.548 1.042 4.939 1.00 0.00 N ATOM 471 CA ILE A 36 146.046 2.306 4.409 1.00 0.00 C ATOM 472 C ILE A 36 146.970 2.992 5.410 1.00 0.00 C ATOM 473 O ILE A 36 146.688 3.027 6.607 1.00 0.00 O ATOM 474 CB ILE A 36 144.891 3.262 4.051 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.876 2.558 3.149 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.430 4.514 3.374 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.709 3.435 2.752 1.00 0.00 C ATOM 0 H ILE A 36 144.541 1.018 5.096 1.00 0.00 H new ATOM 0 HA ILE A 36 146.604 2.072 3.503 1.00 0.00 H new ATOM 0 HB ILE A 36 144.387 3.558 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.382 2.211 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.498 1.674 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.602 5.179 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.118 5.025 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 145.957 4.236 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.030 2.870 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.178 3.761 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.077 4.306 2.210 1.00 0.00 H new ATOM 489 N ARG A 37 148.076 3.535 4.910 1.00 0.00 N ATOM 490 CA ARG A 37 149.042 4.220 5.761 1.00 0.00 C ATOM 491 C ARG A 37 149.240 5.664 5.308 1.00 0.00 C ATOM 492 O ARG A 37 148.974 6.601 6.060 1.00 0.00 O ATOM 493 CB ARG A 37 150.382 3.480 5.742 1.00 0.00 C ATOM 494 CG ARG A 37 150.258 1.992 6.024 1.00 0.00 C ATOM 495 CD ARG A 37 149.607 1.733 7.373 1.00 0.00 C ATOM 496 NE ARG A 37 150.302 2.420 8.458 1.00 0.00 N ATOM 497 CZ ARG A 37 149.765 2.653 9.653 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.527 2.255 9.921 1.00 0.00 N ATOM 499 NH2 ARG A 37 150.467 3.285 10.584 1.00 0.00 N ATOM 0 H ARG A 37 148.325 3.514 3.921 1.00 0.00 H new ATOM 0 HA ARG A 37 148.651 4.228 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.851 3.619 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.046 3.928 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.669 1.519 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.246 1.533 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.568 2.061 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.597 0.661 7.571 1.00 0.00 H new ATOM 0 HE ARG A 37 151.256 2.740 8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 37 147.983 1.768 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.120 2.436 10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 151.419 3.593 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 37 150.055 3.463 11.500 1.00 0.00 H new ATOM 513 N TRP A 38 149.705 5.835 4.075 1.00 0.00 N ATOM 514 CA TRP A 38 149.938 7.166 3.525 1.00 0.00 C ATOM 515 C TRP A 38 149.254 7.323 2.169 1.00 0.00 C ATOM 516 O TRP A 38 149.360 6.454 1.304 1.00 0.00 O ATOM 517 CB TRP A 38 151.441 7.431 3.388 1.00 0.00 C ATOM 518 CG TRP A 38 151.763 8.666 2.600 1.00 0.00 C ATOM 519 CD1 TRP A 38 151.926 9.931 3.086 1.00 0.00 C ATOM 520 CD2 TRP A 38 151.955 8.752 1.183 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.207 10.799 2.058 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.231 10.098 0.880 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.921 7.821 0.141 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.471 10.535 -0.422 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.159 8.254 -1.149 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.431 9.601 -1.420 1.00 0.00 C ATOM 0 H TRP A 38 149.928 5.070 3.438 1.00 0.00 H new ATOM 0 HA TRP A 38 149.510 7.895 4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 38 151.878 7.520 4.383 1.00 0.00 H new ATOM 0 HB3 TRP A 38 151.911 6.572 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 38 151.846 10.209 4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.371 11.801 2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.712 6.780 0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.681 11.573 -0.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.135 7.543 -1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.613 9.909 -2.439 1.00 0.00 H new ATOM 537 N ILE A 39 148.559 8.442 1.993 1.00 0.00 N ATOM 538 CA ILE A 39 147.864 8.725 0.744 1.00 0.00 C ATOM 539 C ILE A 39 148.314 10.064 0.170 1.00 0.00 C ATOM 540 O ILE A 39 147.947 11.122 0.681 1.00 0.00 O ATOM 541 CB ILE A 39 146.337 8.750 0.942 1.00 0.00 C ATOM 542 CG1 ILE A 39 145.876 7.502 1.698 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.630 8.855 -0.400 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.499 7.639 2.309 1.00 0.00 C ATOM 0 H ILE A 39 148.462 9.169 2.702 1.00 0.00 H new ATOM 0 HA ILE A 39 148.115 7.925 0.048 1.00 0.00 H new ATOM 0 HB ILE A 39 146.078 9.626 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.879 6.652 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.594 7.279 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.552 8.871 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.938 9.772 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.893 7.997 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.238 6.717 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.496 8.468 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.769 7.831 1.522 1.00 0.00 H new ATOM 556 N GLY A 40 149.115 10.011 -0.889 1.00 0.00 N ATOM 557 CA GLY A 40 149.604 11.231 -1.504 1.00 0.00 C ATOM 558 C GLY A 40 150.212 10.994 -2.873 1.00 0.00 C ATOM 559 O GLY A 40 150.068 9.916 -3.447 1.00 0.00 O ATOM 0 H GLY A 40 149.433 9.149 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.783 11.942 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.350 11.687 -0.854 1.00 0.00 H new ATOM 563 N GLN A 41 150.892 12.010 -3.394 1.00 0.00 N ATOM 564 CA GLN A 41 151.525 11.919 -4.703 1.00 0.00 C ATOM 565 C GLN A 41 153.000 12.311 -4.618 1.00 0.00 C ATOM 566 O GLN A 41 153.325 13.461 -4.321 1.00 0.00 O ATOM 567 CB GLN A 41 150.799 12.825 -5.696 1.00 0.00 C ATOM 568 CG GLN A 41 149.288 12.653 -5.685 1.00 0.00 C ATOM 569 CD GLN A 41 148.551 13.969 -5.825 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.474 14.755 -4.881 1.00 0.00 O ATOM 571 NE2 GLN A 41 148.004 14.216 -7.009 1.00 0.00 N ATOM 0 H GLN A 41 151.019 12.908 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 41 151.462 10.887 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.040 13.864 -5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.172 12.622 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.996 11.989 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.988 12.170 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.093 13.536 -7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.495 15.086 -7.164 1.00 0.00 H new ATOM 580 N PRO A 42 153.917 11.361 -4.876 1.00 0.00 N ATOM 581 CA PRO A 42 155.360 11.623 -4.822 1.00 0.00 C ATOM 582 C PRO A 42 155.779 12.746 -5.766 1.00 0.00 C ATOM 583 O PRO A 42 155.066 13.071 -6.715 1.00 0.00 O ATOM 584 CB PRO A 42 155.986 10.295 -5.261 1.00 0.00 C ATOM 585 CG PRO A 42 154.937 9.272 -5.000 1.00 0.00 C ATOM 586 CD PRO A 42 153.626 9.962 -5.237 1.00 0.00 C ATOM 0 HA PRO A 42 155.676 11.948 -3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.262 10.318 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.895 10.081 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.053 8.415 -5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.002 8.896 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.304 9.872 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.832 9.543 -4.619 1.00 0.00 H new ATOM 594 N PRO A 43 156.951 13.355 -5.515 1.00 0.00 N ATOM 595 CA PRO A 43 157.466 14.446 -6.347 1.00 0.00 C ATOM 596 C PRO A 43 157.941 13.958 -7.711 1.00 0.00 C ATOM 597 O PRO A 43 159.115 13.636 -7.891 1.00 0.00 O ATOM 598 CB PRO A 43 158.643 14.986 -5.535 1.00 0.00 C ATOM 599 CG PRO A 43 159.098 13.830 -4.714 1.00 0.00 C ATOM 600 CD PRO A 43 157.863 13.027 -4.403 1.00 0.00 C ATOM 0 HA PRO A 43 156.700 15.192 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.440 15.348 -6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.339 15.823 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.827 13.229 -5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.583 14.169 -3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.078 11.959 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.436 13.304 -3.439 1.00 0.00 H new ATOM 608 N GLY A 44 157.022 13.906 -8.667 1.00 0.00 N ATOM 609 CA GLY A 44 157.369 13.457 -10.002 1.00 0.00 C ATOM 610 C GLY A 44 156.170 12.942 -10.771 1.00 0.00 C ATOM 611 O GLY A 44 155.925 13.359 -11.903 1.00 0.00 O ATOM 0 H GLY A 44 156.044 14.166 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.823 14.281 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.118 12.669 -9.933 1.00 0.00 H new ATOM 615 N LEU A 45 155.420 12.034 -10.156 1.00 0.00 N ATOM 616 CA LEU A 45 154.240 11.463 -10.793 1.00 0.00 C ATOM 617 C LEU A 45 152.994 11.726 -9.956 1.00 0.00 C ATOM 618 O LEU A 45 152.847 11.184 -8.860 1.00 0.00 O ATOM 619 CB LEU A 45 154.422 9.959 -10.999 1.00 0.00 C ATOM 620 CG LEU A 45 154.906 9.191 -9.766 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.533 7.718 -9.873 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.411 9.354 -9.592 1.00 0.00 C ATOM 0 H LEU A 45 155.608 11.678 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 45 154.113 11.941 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.472 9.534 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.134 9.802 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 45 154.413 9.605 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.885 7.188 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.450 7.621 -9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.997 7.289 -10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.737 8.802 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.923 8.967 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.651 10.410 -9.467 1.00 0.00 H new ATOM 634 N ASN A 46 152.096 12.558 -10.474 1.00 0.00 N ATOM 635 CA ASN A 46 150.868 12.879 -9.761 1.00 0.00 C ATOM 636 C ASN A 46 149.905 11.697 -9.796 1.00 0.00 C ATOM 637 O ASN A 46 149.319 11.390 -10.834 1.00 0.00 O ATOM 638 CB ASN A 46 150.205 14.113 -10.378 1.00 0.00 C ATOM 639 CG ASN A 46 149.419 14.917 -9.361 1.00 0.00 C ATOM 640 OD1 ASN A 46 148.199 15.047 -9.464 1.00 0.00 O ATOM 641 ND2 ASN A 46 150.117 15.463 -8.372 1.00 0.00 N ATOM 0 H ASN A 46 152.196 13.019 -11.379 1.00 0.00 H new ATOM 0 HA ASN A 46 151.119 13.094 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.970 14.747 -10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.539 13.800 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.643 16.016 -7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 46 151.127 15.329 -8.326 1.00 0.00 H new ATOM 648 N GLU A 47 149.747 11.040 -8.654 1.00 0.00 N ATOM 649 CA GLU A 47 148.857 9.891 -8.546 1.00 0.00 C ATOM 650 C GLU A 47 148.612 9.532 -7.084 1.00 0.00 C ATOM 651 O GLU A 47 149.551 9.232 -6.346 1.00 0.00 O ATOM 652 CB GLU A 47 149.445 8.687 -9.288 1.00 0.00 C ATOM 653 CG GLU A 47 150.953 8.556 -9.150 1.00 0.00 C ATOM 654 CD GLU A 47 151.556 7.633 -10.192 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.731 8.076 -11.347 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.850 6.467 -9.853 1.00 0.00 O ATOM 0 H GLU A 47 150.225 11.284 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 47 147.904 10.157 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.975 7.777 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.192 8.765 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.409 9.542 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.192 8.180 -8.155 1.00 0.00 H new ATOM 663 N VAL A 48 147.351 9.557 -6.671 1.00 0.00 N ATOM 664 CA VAL A 48 146.997 9.226 -5.298 1.00 0.00 C ATOM 665 C VAL A 48 147.343 7.775 -4.989 1.00 0.00 C ATOM 666 O VAL A 48 146.591 6.861 -5.329 1.00 0.00 O ATOM 667 CB VAL A 48 145.499 9.456 -5.029 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.192 9.299 -3.547 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.072 10.828 -5.527 1.00 0.00 C ATOM 0 H VAL A 48 146.559 9.802 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 48 147.574 9.886 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 48 144.931 8.703 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.128 9.465 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.458 8.292 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.769 10.027 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.010 10.973 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.646 11.597 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.253 10.898 -6.599 1.00 0.00 H new ATOM 679 N LEU A 49 148.487 7.569 -4.345 1.00 0.00 N ATOM 680 CA LEU A 49 148.934 6.227 -3.994 1.00 0.00 C ATOM 681 C LEU A 49 148.788 5.983 -2.498 1.00 0.00 C ATOM 682 O LEU A 49 149.449 6.633 -1.687 1.00 0.00 O ATOM 683 CB LEU A 49 150.390 6.023 -4.417 1.00 0.00 C ATOM 684 CG LEU A 49 150.667 6.237 -5.906 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.113 6.656 -6.125 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.352 4.974 -6.693 1.00 0.00 C ATOM 0 H LEU A 49 149.121 8.314 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 49 148.307 5.511 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.018 6.706 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.692 5.011 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 49 150.020 7.037 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.292 6.804 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.307 7.587 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.778 5.878 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.555 5.144 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.974 4.155 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.301 4.716 -6.562 1.00 0.00 H new ATOM 698 N ALA A 50 147.919 5.047 -2.139 1.00 0.00 N ATOM 699 CA ALA A 50 147.689 4.724 -0.738 1.00 0.00 C ATOM 700 C ALA A 50 148.600 3.591 -0.281 1.00 0.00 C ATOM 701 O ALA A 50 148.489 2.461 -0.758 1.00 0.00 O ATOM 702 CB ALA A 50 146.230 4.357 -0.514 1.00 0.00 C ATOM 0 H ALA A 50 147.364 4.500 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 50 147.924 5.606 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.072 4.118 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.596 5.198 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 50 145.975 3.491 -1.125 1.00 0.00 H new ATOM 708 N GLY A 51 149.502 3.899 0.645 1.00 0.00 N ATOM 709 CA GLY A 51 150.420 2.895 1.151 1.00 0.00 C ATOM 710 C GLY A 51 149.722 1.838 1.983 1.00 0.00 C ATOM 711 O GLY A 51 149.241 2.120 3.081 1.00 0.00 O ATOM 0 H GLY A 51 149.614 4.827 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.928 2.417 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.187 3.380 1.755 1.00 0.00 H new ATOM 715 N LEU A 52 149.667 0.617 1.461 1.00 0.00 N ATOM 716 CA LEU A 52 149.023 -0.486 2.164 1.00 0.00 C ATOM 717 C LEU A 52 150.052 -1.340 2.897 1.00 0.00 C ATOM 718 O LEU A 52 151.062 -1.744 2.320 1.00 0.00 O ATOM 719 CB LEU A 52 148.231 -1.352 1.183 1.00 0.00 C ATOM 720 CG LEU A 52 146.974 -0.695 0.609 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.452 -1.490 -0.579 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.903 -0.569 1.680 1.00 0.00 C ATOM 0 H LEU A 52 150.061 0.367 0.554 1.00 0.00 H new ATOM 0 HA LEU A 52 148.338 -0.063 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.886 -1.631 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.943 -2.274 1.687 1.00 0.00 H new ATOM 0 HG LEU A 52 147.234 0.306 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.558 -1.008 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.217 -1.529 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.207 -2.503 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.016 -0.100 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.645 -1.559 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.279 0.043 2.500 1.00 0.00 H new ATOM 734 N GLU A 53 149.790 -1.612 4.171 1.00 0.00 N ATOM 735 CA GLU A 53 150.694 -2.418 4.983 1.00 0.00 C ATOM 736 C GLU A 53 150.200 -3.859 5.076 1.00 0.00 C ATOM 737 O GLU A 53 149.205 -4.142 5.744 1.00 0.00 O ATOM 738 CB GLU A 53 150.826 -1.819 6.384 1.00 0.00 C ATOM 739 CG GLU A 53 151.783 -2.584 7.284 1.00 0.00 C ATOM 740 CD GLU A 53 151.317 -2.629 8.726 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.200 -1.550 9.345 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.071 -3.742 9.236 1.00 0.00 O ATOM 0 H GLU A 53 148.959 -1.286 4.664 1.00 0.00 H new ATOM 0 HA GLU A 53 151.673 -2.418 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.167 -0.787 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 149.842 -1.792 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 151.893 -3.602 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.768 -2.120 7.239 1.00 0.00 H new ATOM 749 N LEU A 54 150.903 -4.765 4.405 1.00 0.00 N ATOM 750 CA LEU A 54 150.537 -6.176 4.412 1.00 0.00 C ATOM 751 C LEU A 54 150.705 -6.775 5.805 1.00 0.00 C ATOM 752 O LEU A 54 151.577 -6.360 6.568 1.00 0.00 O ATOM 753 CB LEU A 54 151.389 -6.950 3.404 1.00 0.00 C ATOM 754 CG LEU A 54 151.447 -6.342 2.002 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.766 -6.680 1.327 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.276 -6.829 1.162 1.00 0.00 C ATOM 0 H LEU A 54 151.730 -4.547 3.849 1.00 0.00 H new ATOM 0 HA LEU A 54 149.488 -6.255 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.405 -7.026 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.000 -7.965 3.327 1.00 0.00 H new ATOM 0 HG LEU A 54 151.378 -5.258 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.788 -6.239 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.590 -6.282 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.867 -7.762 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.333 -6.387 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.315 -7.915 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.340 -6.535 1.637 1.00 0.00 H new ATOM 768 N GLU A 55 149.864 -7.752 6.128 1.00 0.00 N ATOM 769 CA GLU A 55 149.920 -8.408 7.429 1.00 0.00 C ATOM 770 C GLU A 55 151.075 -9.402 7.489 1.00 0.00 C ATOM 771 O GLU A 55 151.677 -9.606 8.543 1.00 0.00 O ATOM 772 CB GLU A 55 148.600 -9.124 7.719 1.00 0.00 C ATOM 773 CG GLU A 55 147.559 -8.237 8.381 1.00 0.00 C ATOM 774 CD GLU A 55 146.145 -8.576 7.952 1.00 0.00 C ATOM 775 OE1 GLU A 55 145.902 -9.743 7.576 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.281 -7.675 7.989 1.00 0.00 O ATOM 0 H GLU A 55 149.136 -8.107 5.507 1.00 0.00 H new ATOM 0 HA GLU A 55 150.085 -7.642 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.194 -9.511 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.796 -9.982 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.639 -8.335 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.768 -7.195 8.139 1.00 0.00 H new ATOM 783 N ASP A 56 151.380 -10.017 6.351 1.00 0.00 N ATOM 784 CA ASP A 56 152.464 -10.989 6.275 1.00 0.00 C ATOM 785 C ASP A 56 153.720 -10.358 5.682 1.00 0.00 C ATOM 786 O ASP A 56 153.639 -9.461 4.844 1.00 0.00 O ATOM 787 CB ASP A 56 152.038 -12.194 5.434 1.00 0.00 C ATOM 788 CG ASP A 56 152.656 -13.489 5.924 1.00 0.00 C ATOM 789 OD1 ASP A 56 153.866 -13.489 6.233 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.930 -14.502 5.999 1.00 0.00 O ATOM 0 H ASP A 56 150.892 -9.859 5.469 1.00 0.00 H new ATOM 0 HA ASP A 56 152.691 -11.323 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.952 -12.282 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.324 -12.028 4.395 1.00 0.00 H new ATOM 795 N GLU A 57 154.880 -10.835 6.122 1.00 0.00 N ATOM 796 CA GLU A 57 156.153 -10.318 5.635 1.00 0.00 C ATOM 797 C GLU A 57 156.464 -10.862 4.244 1.00 0.00 C ATOM 798 O GLU A 57 157.189 -11.845 4.098 1.00 0.00 O ATOM 799 CB GLU A 57 157.281 -10.684 6.601 1.00 0.00 C ATOM 800 CG GLU A 57 157.059 -10.172 8.016 1.00 0.00 C ATOM 801 CD GLU A 57 156.643 -11.271 8.975 1.00 0.00 C ATOM 802 OE1 GLU A 57 155.525 -11.806 8.817 1.00 0.00 O ATOM 803 OE2 GLU A 57 157.435 -11.596 9.885 1.00 0.00 O ATOM 0 H GLU A 57 154.964 -11.579 6.815 1.00 0.00 H new ATOM 0 HA GLU A 57 156.075 -9.233 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.388 -11.768 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.219 -10.281 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.976 -9.707 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.292 -9.397 8.002 1.00 0.00 H new ATOM 810 N CYS A 58 155.911 -10.214 3.224 1.00 0.00 N ATOM 811 CA CYS A 58 156.129 -10.631 1.844 1.00 0.00 C ATOM 812 C CYS A 58 157.505 -10.192 1.354 1.00 0.00 C ATOM 813 O CYS A 58 157.859 -9.016 1.437 1.00 0.00 O ATOM 814 CB CYS A 58 155.043 -10.051 0.935 1.00 0.00 C ATOM 815 SG CYS A 58 153.516 -11.020 0.901 1.00 0.00 S ATOM 0 H CYS A 58 155.308 -9.398 3.327 1.00 0.00 H new ATOM 0 HA CYS A 58 156.080 -11.719 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.811 -9.038 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.435 -9.975 -0.079 1.00 0.00 H new ATOM 0 HG CYS A 58 152.658 -10.450 0.108 1.00 0.00 H new ATOM 821 N ALA A 59 158.278 -11.145 0.842 1.00 0.00 N ATOM 822 CA ALA A 59 159.615 -10.857 0.338 1.00 0.00 C ATOM 823 C ALA A 59 159.552 -10.057 -0.958 1.00 0.00 C ATOM 824 O ALA A 59 159.080 -10.551 -1.981 1.00 0.00 O ATOM 825 CB ALA A 59 160.388 -12.149 0.126 1.00 0.00 C ATOM 0 H ALA A 59 158.001 -12.124 0.766 1.00 0.00 H new ATOM 0 HA ALA A 59 160.135 -10.253 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.385 -11.919 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.472 -12.682 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 59 159.862 -12.773 -0.597 1.00 0.00 H new ATOM 831 N GLY A 60 160.031 -8.818 -0.907 1.00 0.00 N ATOM 832 CA GLY A 60 160.020 -7.970 -2.084 1.00 0.00 C ATOM 833 C GLY A 60 159.553 -6.560 -1.778 1.00 0.00 C ATOM 834 O GLY A 60 159.945 -5.608 -2.455 1.00 0.00 O ATOM 0 H GLY A 60 160.426 -8.387 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.022 -7.933 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.368 -8.410 -2.839 1.00 0.00 H new ATOM 838 N CYS A 61 158.713 -6.425 -0.757 1.00 0.00 N ATOM 839 CA CYS A 61 158.192 -5.122 -0.363 1.00 0.00 C ATOM 840 C CYS A 61 159.189 -4.380 0.519 1.00 0.00 C ATOM 841 O CYS A 61 160.222 -4.931 0.904 1.00 0.00 O ATOM 842 CB CYS A 61 156.861 -5.283 0.375 1.00 0.00 C ATOM 843 SG CYS A 61 155.608 -6.197 -0.553 1.00 0.00 S ATOM 0 H CYS A 61 158.379 -7.202 -0.188 1.00 0.00 H new ATOM 0 HA CYS A 61 158.030 -4.536 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.042 -5.794 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.470 -4.295 0.616 1.00 0.00 H new ATOM 0 HG CYS A 61 155.261 -7.258 0.114 1.00 0.00 H new ATOM 849 N THR A 62 158.876 -3.128 0.835 1.00 0.00 N ATOM 850 CA THR A 62 159.746 -2.310 1.673 1.00 0.00 C ATOM 851 C THR A 62 159.171 -2.169 3.078 1.00 0.00 C ATOM 852 O THR A 62 158.132 -2.748 3.397 1.00 0.00 O ATOM 853 CB THR A 62 159.940 -0.929 1.047 1.00 0.00 C ATOM 854 OG1 THR A 62 158.694 -0.283 0.860 1.00 0.00 O ATOM 855 CG2 THR A 62 160.641 -0.973 -0.294 1.00 0.00 C ATOM 0 H THR A 62 158.026 -2.657 0.524 1.00 0.00 H new ATOM 0 HA THR A 62 160.713 -2.807 1.744 1.00 0.00 H new ATOM 0 HB THR A 62 160.567 -0.380 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.841 0.607 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.747 0.040 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.628 -1.421 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.054 -1.570 -0.992 1.00 0.00 H new ATOM 863 N ASP A 63 159.853 -1.394 3.916 1.00 0.00 N ATOM 864 CA ASP A 63 159.410 -1.175 5.289 1.00 0.00 C ATOM 865 C ASP A 63 158.661 0.148 5.414 1.00 0.00 C ATOM 866 O ASP A 63 158.703 0.800 6.457 1.00 0.00 O ATOM 867 CB ASP A 63 160.606 -1.189 6.241 1.00 0.00 C ATOM 868 CG ASP A 63 161.704 -0.240 5.805 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.517 -0.629 4.939 1.00 0.00 O ATOM 870 OD2 ASP A 63 161.752 0.893 6.328 1.00 0.00 O ATOM 0 H ASP A 63 160.714 -0.907 3.668 1.00 0.00 H new ATOM 0 HA ASP A 63 158.731 -1.984 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.272 -0.918 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.007 -2.201 6.301 1.00 0.00 H new ATOM 875 N GLY A 64 157.976 0.538 4.344 1.00 0.00 N ATOM 876 CA GLY A 64 157.227 1.781 4.356 1.00 0.00 C ATOM 877 C GLY A 64 157.980 2.918 3.692 1.00 0.00 C ATOM 878 O GLY A 64 158.006 4.037 4.204 1.00 0.00 O ATOM 0 H GLY A 64 157.926 0.016 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.275 1.633 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 156.998 2.054 5.386 1.00 0.00 H new ATOM 882 N THR A 65 158.594 2.630 2.549 1.00 0.00 N ATOM 883 CA THR A 65 159.351 3.636 1.814 1.00 0.00 C ATOM 884 C THR A 65 159.077 3.536 0.317 1.00 0.00 C ATOM 885 O THR A 65 159.346 2.511 -0.307 1.00 0.00 O ATOM 886 CB THR A 65 160.848 3.475 2.081 1.00 0.00 C ATOM 887 OG1 THR A 65 161.266 2.148 1.810 1.00 0.00 O ATOM 888 CG2 THR A 65 161.239 3.795 3.508 1.00 0.00 C ATOM 0 H THR A 65 158.582 1.708 2.112 1.00 0.00 H new ATOM 0 HA THR A 65 159.031 4.619 2.160 1.00 0.00 H new ATOM 0 HB THR A 65 161.338 4.188 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.784 1.807 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.314 3.661 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 65 160.974 4.828 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.711 3.127 4.188 1.00 0.00 H new ATOM 896 N PHE A 66 158.540 4.610 -0.254 1.00 0.00 N ATOM 897 CA PHE A 66 158.230 4.645 -1.678 1.00 0.00 C ATOM 898 C PHE A 66 159.285 5.435 -2.446 1.00 0.00 C ATOM 899 O PHE A 66 159.348 6.660 -2.351 1.00 0.00 O ATOM 900 CB PHE A 66 156.848 5.261 -1.905 1.00 0.00 C ATOM 901 CG PHE A 66 156.258 4.935 -3.248 1.00 0.00 C ATOM 902 CD1 PHE A 66 156.081 3.618 -3.638 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.882 5.945 -4.118 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.538 3.314 -4.873 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.340 5.647 -5.354 1.00 0.00 C ATOM 906 CZ PHE A 66 155.167 4.330 -5.732 1.00 0.00 C ATOM 0 H PHE A 66 158.311 5.468 0.248 1.00 0.00 H new ATOM 0 HA PHE A 66 158.229 3.620 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.171 4.912 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.921 6.344 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.370 2.820 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.014 6.977 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.404 2.283 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.052 6.444 -6.024 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.743 4.095 -6.697 1.00 0.00 H new ATOM 916 N ARG A 67 160.111 4.724 -3.207 1.00 0.00 N ATOM 917 CA ARG A 67 161.164 5.358 -3.991 1.00 0.00 C ATOM 918 C ARG A 67 162.128 6.124 -3.090 1.00 0.00 C ATOM 919 O ARG A 67 162.576 7.219 -3.430 1.00 0.00 O ATOM 920 CB ARG A 67 160.557 6.304 -5.029 1.00 0.00 C ATOM 921 CG ARG A 67 159.739 5.593 -6.096 1.00 0.00 C ATOM 922 CD ARG A 67 160.131 6.041 -7.495 1.00 0.00 C ATOM 923 NE ARG A 67 161.016 5.080 -8.150 1.00 0.00 N ATOM 924 CZ ARG A 67 161.773 5.370 -9.206 1.00 0.00 C ATOM 925 NH1 ARG A 67 161.755 6.590 -9.731 1.00 0.00 N ATOM 926 NH2 ARG A 67 162.549 4.437 -9.741 1.00 0.00 N ATOM 0 H ARG A 67 160.071 3.709 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 67 161.721 4.575 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.922 7.030 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.359 6.864 -5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.880 4.516 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.679 5.790 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 67 159.233 6.176 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 67 160.626 7.011 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 67 161.056 4.132 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 67 161.159 7.311 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 67 162.337 6.806 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 67 162.566 3.498 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 67 163.129 4.659 -10.550 1.00 0.00 H new ATOM 940 N GLY A 68 162.443 5.540 -1.939 1.00 0.00 N ATOM 941 CA GLY A 68 163.351 6.182 -1.006 1.00 0.00 C ATOM 942 C GLY A 68 162.706 7.342 -0.275 1.00 0.00 C ATOM 943 O GLY A 68 163.385 8.287 0.127 1.00 0.00 O ATOM 0 H GLY A 68 162.086 4.634 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.700 5.448 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.228 6.539 -1.545 1.00 0.00 H new ATOM 947 N THR A 69 161.389 7.272 -0.102 1.00 0.00 N ATOM 948 CA THR A 69 160.651 8.325 0.585 1.00 0.00 C ATOM 949 C THR A 69 159.735 7.739 1.654 1.00 0.00 C ATOM 950 O THR A 69 158.604 7.347 1.369 1.00 0.00 O ATOM 951 CB THR A 69 159.829 9.137 -0.417 1.00 0.00 C ATOM 952 OG1 THR A 69 160.590 9.421 -1.578 1.00 0.00 O ATOM 953 CG2 THR A 69 159.336 10.454 0.141 1.00 0.00 C ATOM 0 H THR A 69 160.812 6.497 -0.428 1.00 0.00 H new ATOM 0 HA THR A 69 161.372 8.982 1.071 1.00 0.00 H new ATOM 0 HB THR A 69 158.966 8.514 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.488 8.690 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.760 10.979 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.704 10.267 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.188 11.065 0.438 1.00 0.00 H new ATOM 961 N ARG A 70 160.232 7.682 2.886 1.00 0.00 N ATOM 962 CA ARG A 70 159.457 7.143 3.998 1.00 0.00 C ATOM 963 C ARG A 70 158.310 8.077 4.365 1.00 0.00 C ATOM 964 O ARG A 70 158.529 9.234 4.725 1.00 0.00 O ATOM 965 CB ARG A 70 160.359 6.919 5.213 1.00 0.00 C ATOM 966 CG ARG A 70 159.662 6.210 6.364 1.00 0.00 C ATOM 967 CD ARG A 70 159.925 6.903 7.691 1.00 0.00 C ATOM 968 NE ARG A 70 159.851 5.977 8.819 1.00 0.00 N ATOM 969 CZ ARG A 70 160.254 6.275 10.051 1.00 0.00 C ATOM 970 NH1 ARG A 70 160.761 7.472 10.320 1.00 0.00 N ATOM 971 NH2 ARG A 70 160.151 5.374 11.018 1.00 0.00 N ATOM 0 H ARG A 70 161.167 8.002 3.139 1.00 0.00 H new ATOM 0 HA ARG A 70 159.036 6.187 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.227 6.334 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.731 7.882 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.589 6.179 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.007 5.177 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.911 7.367 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.199 7.704 7.832 1.00 0.00 H new ATOM 0 HE ARG A 70 159.467 5.047 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 70 160.843 8.169 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 70 161.068 7.695 11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 70 159.763 4.452 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 70 160.460 5.602 11.963 1.00 0.00 H new ATOM 985 N TYR A 71 157.086 7.567 4.275 1.00 0.00 N ATOM 986 CA TYR A 71 155.903 8.356 4.599 1.00 0.00 C ATOM 987 C TYR A 71 155.381 8.004 5.988 1.00 0.00 C ATOM 988 O TYR A 71 154.877 8.865 6.710 1.00 0.00 O ATOM 989 CB TYR A 71 154.808 8.125 3.556 1.00 0.00 C ATOM 990 CG TYR A 71 155.153 8.667 2.187 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.413 10.018 1.998 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.218 7.826 1.083 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.727 10.517 0.748 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.533 8.316 -0.170 1.00 0.00 C ATOM 995 CZ TYR A 71 155.786 9.662 -0.332 1.00 0.00 C ATOM 996 OH TYR A 71 156.099 10.155 -1.578 1.00 0.00 O ATOM 0 H TYR A 71 156.887 6.611 3.980 1.00 0.00 H new ATOM 0 HA TYR A 71 156.185 9.409 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.614 7.055 3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 71 153.885 8.592 3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.369 10.690 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.019 6.772 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.925 11.571 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.581 7.649 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 71 156.334 9.413 -2.174 1.00 0.00 H new ATOM 1006 N PHE A 72 155.504 6.733 6.357 1.00 0.00 N ATOM 1007 CA PHE A 72 155.045 6.266 7.659 1.00 0.00 C ATOM 1008 C PHE A 72 156.020 5.251 8.248 1.00 0.00 C ATOM 1009 O PHE A 72 157.052 4.949 7.649 1.00 0.00 O ATOM 1010 CB PHE A 72 153.653 5.642 7.538 1.00 0.00 C ATOM 1011 CG PHE A 72 153.543 4.631 6.433 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.294 5.033 5.130 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.689 3.278 6.696 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.193 4.104 4.111 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.588 2.345 5.682 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.340 2.759 4.388 1.00 0.00 C ATOM 0 H PHE A 72 155.918 6.008 5.771 1.00 0.00 H new ATOM 0 HA PHE A 72 154.994 7.125 8.328 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.394 5.165 8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 72 152.922 6.433 7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.178 6.084 4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.884 2.949 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 72 152.999 4.430 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.703 1.294 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.261 2.032 3.594 1.00 0.00 H new ATOM 1026 N THR A 73 155.687 4.731 9.424 1.00 0.00 N ATOM 1027 CA THR A 73 156.534 3.750 10.094 1.00 0.00 C ATOM 1028 C THR A 73 155.833 2.399 10.188 1.00 0.00 C ATOM 1029 O THR A 73 154.813 2.263 10.862 1.00 0.00 O ATOM 1030 CB THR A 73 156.909 4.241 11.493 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.700 3.278 12.167 1.00 0.00 O ATOM 1032 CG2 THR A 73 155.709 4.539 12.365 1.00 0.00 C ATOM 0 H THR A 73 154.837 4.972 9.933 1.00 0.00 H new ATOM 0 HA THR A 73 157.442 3.627 9.503 1.00 0.00 H new ATOM 0 HB THR A 73 157.462 5.167 11.335 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.931 3.611 13.059 1.00 0.00 H new ATOM 0 HG21 THR A 73 156.046 4.883 13.343 1.00 0.00 H new ATOM 0 HG22 THR A 73 155.103 5.315 11.897 1.00 0.00 H new ATOM 0 HG23 THR A 73 155.112 3.635 12.484 1.00 0.00 H new ATOM 1040 N CYS A 74 156.388 1.402 9.505 1.00 0.00 N ATOM 1041 CA CYS A 74 155.816 0.060 9.512 1.00 0.00 C ATOM 1042 C CYS A 74 156.913 -0.999 9.554 1.00 0.00 C ATOM 1043 O CYS A 74 158.096 -0.687 9.422 1.00 0.00 O ATOM 1044 CB CYS A 74 154.939 -0.148 8.276 1.00 0.00 C ATOM 1045 SG CYS A 74 153.237 0.427 8.475 1.00 0.00 S ATOM 0 H CYS A 74 157.232 1.498 8.940 1.00 0.00 H new ATOM 0 HA CYS A 74 155.203 -0.042 10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.391 0.372 7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.926 -1.209 8.027 1.00 0.00 H new ATOM 0 HG CYS A 74 153.006 1.397 7.640 1.00 0.00 H new ATOM 1051 N ALA A 75 156.512 -2.252 9.739 1.00 0.00 N ATOM 1052 CA ALA A 75 157.461 -3.357 9.799 1.00 0.00 C ATOM 1053 C ALA A 75 158.197 -3.521 8.474 1.00 0.00 C ATOM 1054 O ALA A 75 157.960 -2.774 7.524 1.00 0.00 O ATOM 1055 CB ALA A 75 156.745 -4.647 10.170 1.00 0.00 C ATOM 0 H ALA A 75 155.536 -2.528 9.850 1.00 0.00 H new ATOM 0 HA ALA A 75 158.199 -3.129 10.568 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.465 -5.464 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.270 -4.532 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.986 -4.870 9.420 1.00 0.00 H new ATOM 1061 N LEU A 76 159.091 -4.502 8.416 1.00 0.00 N ATOM 1062 CA LEU A 76 159.862 -4.764 7.206 1.00 0.00 C ATOM 1063 C LEU A 76 159.161 -5.793 6.326 1.00 0.00 C ATOM 1064 O LEU A 76 158.560 -6.745 6.825 1.00 0.00 O ATOM 1065 CB LEU A 76 161.265 -5.256 7.566 1.00 0.00 C ATOM 1066 CG LEU A 76 162.272 -4.153 7.899 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.265 -4.636 8.945 1.00 0.00 C ATOM 1068 CD2 LEU A 76 162.999 -3.700 6.642 1.00 0.00 C ATOM 0 H LEU A 76 159.300 -5.129 9.193 1.00 0.00 H new ATOM 0 HA LEU A 76 159.943 -3.831 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.190 -5.928 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.653 -5.842 6.733 1.00 0.00 H new ATOM 0 HG LEU A 76 161.729 -3.302 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.974 -3.839 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.730 -4.913 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.804 -5.503 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.711 -2.915 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.531 -4.545 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.276 -3.315 5.923 1.00 0.00 H new ATOM 1080 N LYS A 77 159.241 -5.595 5.014 1.00 0.00 N ATOM 1081 CA LYS A 77 158.615 -6.506 4.063 1.00 0.00 C ATOM 1082 C LYS A 77 157.102 -6.545 4.261 1.00 0.00 C ATOM 1083 O LYS A 77 156.473 -7.591 4.107 1.00 0.00 O ATOM 1084 CB LYS A 77 159.196 -7.914 4.213 1.00 0.00 C ATOM 1085 CG LYS A 77 160.695 -7.980 3.971 1.00 0.00 C ATOM 1086 CD LYS A 77 161.038 -7.712 2.515 1.00 0.00 C ATOM 1087 CE LYS A 77 162.514 -7.398 2.339 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.360 -8.619 2.449 1.00 0.00 N ATOM 0 H LYS A 77 159.733 -4.811 4.585 1.00 0.00 H new ATOM 0 HA LYS A 77 158.823 -6.140 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.981 -8.282 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.693 -8.582 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.199 -7.250 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.068 -8.963 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 77 160.776 -8.582 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.441 -6.877 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.672 -6.933 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.823 -6.673 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.360 -8.361 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.229 -9.049 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.083 -9.301 1.714 1.00 0.00 H new ATOM 1102 N LYS A 78 156.526 -5.398 4.602 1.00 0.00 N ATOM 1103 CA LYS A 78 155.087 -5.300 4.821 1.00 0.00 C ATOM 1104 C LYS A 78 154.565 -3.928 4.407 1.00 0.00 C ATOM 1105 O LYS A 78 153.672 -3.373 5.047 1.00 0.00 O ATOM 1106 CB LYS A 78 154.754 -5.564 6.291 1.00 0.00 C ATOM 1107 CG LYS A 78 155.276 -6.897 6.803 1.00 0.00 C ATOM 1108 CD LYS A 78 155.037 -7.051 8.296 1.00 0.00 C ATOM 1109 CE LYS A 78 153.738 -7.786 8.580 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.489 -7.930 10.040 1.00 0.00 N ATOM 0 H LYS A 78 157.033 -4.523 4.733 1.00 0.00 H new ATOM 0 HA LYS A 78 154.599 -6.055 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.172 -4.762 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.672 -5.533 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.785 -7.711 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.343 -6.976 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.869 -7.594 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.009 -6.067 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.909 -7.247 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.771 -8.773 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.735 -8.629 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 154.360 -8.249 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.198 -7.013 10.435 1.00 0.00 H new ATOM 1124 N ALA A 79 155.130 -3.385 3.333 1.00 0.00 N ATOM 1125 CA ALA A 79 154.722 -2.078 2.834 1.00 0.00 C ATOM 1126 C ALA A 79 154.661 -2.066 1.311 1.00 0.00 C ATOM 1127 O ALA A 79 155.692 -2.045 0.638 1.00 0.00 O ATOM 1128 CB ALA A 79 155.673 -1.002 3.334 1.00 0.00 C ATOM 0 H ALA A 79 155.871 -3.830 2.792 1.00 0.00 H new ATOM 0 HA ALA A 79 153.722 -1.868 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.356 -0.031 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.663 -0.986 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.682 -1.217 2.984 1.00 0.00 H new ATOM 1134 N LEU A 80 153.445 -2.077 0.772 1.00 0.00 N ATOM 1135 CA LEU A 80 153.250 -2.068 -0.674 1.00 0.00 C ATOM 1136 C LEU A 80 152.372 -0.893 -1.095 1.00 0.00 C ATOM 1137 O LEU A 80 151.191 -0.835 -0.752 1.00 0.00 O ATOM 1138 CB LEU A 80 152.617 -3.383 -1.131 1.00 0.00 C ATOM 1139 CG LEU A 80 152.301 -3.464 -2.626 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.582 -3.431 -3.445 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.501 -4.721 -2.933 1.00 0.00 C ATOM 0 H LEU A 80 152.581 -2.092 1.314 1.00 0.00 H new ATOM 0 HA LEU A 80 154.225 -1.959 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.289 -4.201 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.695 -3.539 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 80 151.698 -2.598 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.337 -3.490 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.117 -2.502 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 80 154.211 -4.278 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 151.285 -4.763 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 80 152.079 -5.599 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.566 -4.703 -2.374 1.00 0.00 H new ATOM 1153 N PHE A 81 152.956 0.039 -1.839 1.00 0.00 N ATOM 1154 CA PHE A 81 152.227 1.212 -2.307 1.00 0.00 C ATOM 1155 C PHE A 81 151.468 0.904 -3.594 1.00 0.00 C ATOM 1156 O PHE A 81 151.964 0.183 -4.460 1.00 0.00 O ATOM 1157 CB PHE A 81 153.188 2.379 -2.536 1.00 0.00 C ATOM 1158 CG PHE A 81 153.792 2.916 -1.270 1.00 0.00 C ATOM 1159 CD1 PHE A 81 153.164 3.928 -0.561 1.00 0.00 C ATOM 1160 CD2 PHE A 81 154.989 2.410 -0.788 1.00 0.00 C ATOM 1161 CE1 PHE A 81 153.717 4.425 0.603 1.00 0.00 C ATOM 1162 CE2 PHE A 81 155.547 2.902 0.377 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.910 3.911 1.073 1.00 0.00 C ATOM 0 H PHE A 81 153.933 0.005 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 81 151.506 1.490 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.988 2.055 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.656 3.183 -3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 81 152.231 4.333 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 81 155.492 1.622 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 81 153.217 5.214 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 81 156.480 2.498 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.344 4.297 1.983 1.00 0.00 H new ATOM 1173 N VAL A 82 150.265 1.454 -3.713 1.00 0.00 N ATOM 1174 CA VAL A 82 149.439 1.238 -4.894 1.00 0.00 C ATOM 1175 C VAL A 82 148.475 2.400 -5.112 1.00 0.00 C ATOM 1176 O VAL A 82 148.288 3.238 -4.230 1.00 0.00 O ATOM 1177 CB VAL A 82 148.632 -0.069 -4.784 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.555 -1.276 -4.862 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.821 -0.090 -3.498 1.00 0.00 C ATOM 0 H VAL A 82 149.840 2.053 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 82 150.117 1.168 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 82 147.938 -0.117 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.966 -2.190 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 82 150.085 -1.268 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.276 -1.236 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.258 -1.021 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.493 -0.017 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.130 0.753 -3.490 1.00 0.00 H new ATOM 1189 N LYS A 83 147.867 2.443 -6.292 1.00 0.00 N ATOM 1190 CA LYS A 83 146.922 3.502 -6.627 1.00 0.00 C ATOM 1191 C LYS A 83 145.691 3.437 -5.732 1.00 0.00 C ATOM 1192 O LYS A 83 145.092 2.376 -5.556 1.00 0.00 O ATOM 1193 CB LYS A 83 146.505 3.398 -8.096 1.00 0.00 C ATOM 1194 CG LYS A 83 147.637 3.674 -9.071 1.00 0.00 C ATOM 1195 CD LYS A 83 147.323 3.133 -10.456 1.00 0.00 C ATOM 1196 CE LYS A 83 148.071 3.897 -11.536 1.00 0.00 C ATOM 1197 NZ LYS A 83 149.309 3.187 -11.962 1.00 0.00 N ATOM 0 H LYS A 83 148.011 1.757 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 83 147.417 4.459 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.111 2.399 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.694 4.101 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.814 4.748 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.556 3.219 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.590 2.077 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.250 3.199 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.419 4.039 -12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.330 4.889 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.790 3.740 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.943 3.074 -11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 149.060 2.250 -12.339 1.00 0.00 H new ATOM 1211 N LEU A 84 145.318 4.580 -5.169 1.00 0.00 N ATOM 1212 CA LEU A 84 144.158 4.661 -4.291 1.00 0.00 C ATOM 1213 C LEU A 84 142.865 4.491 -5.082 1.00 0.00 C ATOM 1214 O LEU A 84 141.879 3.961 -4.572 1.00 0.00 O ATOM 1215 CB LEU A 84 144.151 6.002 -3.554 1.00 0.00 C ATOM 1216 CG LEU A 84 142.910 6.266 -2.698 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.912 5.375 -1.467 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.843 7.733 -2.298 1.00 0.00 C ATOM 0 H LEU A 84 145.804 5.466 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 84 144.222 3.853 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.032 6.052 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.244 6.803 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 84 142.025 6.030 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.022 5.577 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.913 4.329 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.802 5.579 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.955 7.904 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.732 7.995 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.794 8.352 -3.194 1.00 0.00 H new ATOM 1230 N LYS A 85 142.879 4.942 -6.332 1.00 0.00 N ATOM 1231 CA LYS A 85 141.709 4.839 -7.195 1.00 0.00 C ATOM 1232 C LYS A 85 141.357 3.378 -7.464 1.00 0.00 C ATOM 1233 O LYS A 85 140.198 3.045 -7.713 1.00 0.00 O ATOM 1234 CB LYS A 85 141.956 5.567 -8.517 1.00 0.00 C ATOM 1235 CG LYS A 85 143.160 5.042 -9.284 1.00 0.00 C ATOM 1236 CD LYS A 85 144.320 6.026 -9.247 1.00 0.00 C ATOM 1237 CE LYS A 85 144.051 7.236 -10.128 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.712 7.112 -11.457 1.00 0.00 N ATOM 0 H LYS A 85 143.688 5.382 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 85 140.870 5.308 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.069 5.477 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.098 6.629 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.476 4.090 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.877 4.850 -10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.490 6.352 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 85 145.232 5.529 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 85 142.976 7.353 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.408 8.136 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 144.505 7.956 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 145.740 7.026 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.353 6.267 -11.946 1.00 0.00 H new ATOM 1252 N SER A 86 142.363 2.511 -7.412 1.00 0.00 N ATOM 1253 CA SER A 86 142.158 1.087 -7.651 1.00 0.00 C ATOM 1254 C SER A 86 142.188 0.306 -6.341 1.00 0.00 C ATOM 1255 O SER A 86 142.608 -0.850 -6.306 1.00 0.00 O ATOM 1256 CB SER A 86 143.227 0.549 -8.603 1.00 0.00 C ATOM 1257 OG SER A 86 143.165 1.200 -9.861 1.00 0.00 O ATOM 0 H SER A 86 143.328 2.770 -7.207 1.00 0.00 H new ATOM 0 HA SER A 86 141.177 0.958 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.214 0.692 -8.164 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.091 -0.524 -8.738 1.00 0.00 H new ATOM 0 HG SER A 86 143.860 0.839 -10.451 1.00 0.00 H new ATOM 1263 N CYS A 87 141.740 0.946 -5.266 1.00 0.00 N ATOM 1264 CA CYS A 87 141.714 0.312 -3.953 1.00 0.00 C ATOM 1265 C CYS A 87 140.288 -0.056 -3.555 1.00 0.00 C ATOM 1266 O CYS A 87 139.363 0.738 -3.721 1.00 0.00 O ATOM 1267 CB CYS A 87 142.326 1.241 -2.903 1.00 0.00 C ATOM 1268 SG CYS A 87 144.133 1.202 -2.848 1.00 0.00 S ATOM 0 H CYS A 87 141.390 1.904 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 87 142.304 -0.603 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.001 2.262 -3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.937 0.969 -1.922 1.00 0.00 H new ATOM 0 HG CYS A 87 144.611 1.680 -3.958 1.00 0.00 H new ATOM 1274 N ARG A 88 140.119 -1.265 -3.030 1.00 0.00 N ATOM 1275 CA ARG A 88 138.806 -1.737 -2.610 1.00 0.00 C ATOM 1276 C ARG A 88 138.683 -1.722 -1.085 1.00 0.00 C ATOM 1277 O ARG A 88 139.522 -2.287 -0.385 1.00 0.00 O ATOM 1278 CB ARG A 88 138.558 -3.152 -3.140 1.00 0.00 C ATOM 1279 CG ARG A 88 137.514 -3.212 -4.244 1.00 0.00 C ATOM 1280 CD ARG A 88 136.107 -3.286 -3.675 1.00 0.00 C ATOM 1281 NE ARG A 88 135.160 -3.860 -4.628 1.00 0.00 N ATOM 1282 CZ ARG A 88 133.845 -3.915 -4.425 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.319 -3.434 -3.305 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.055 -4.454 -5.343 1.00 0.00 N ATOM 0 H ARG A 88 140.875 -1.935 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 88 138.055 -1.064 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.496 -3.560 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 88 138.240 -3.790 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.605 -2.332 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.699 -4.082 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.115 -3.887 -2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.777 -2.286 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 88 135.528 -4.241 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.923 -3.020 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.311 -3.479 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.454 -4.826 -6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 88 132.048 -4.496 -5.188 1.00 0.00 H new ATOM 1298 N PRO A 89 137.633 -1.072 -0.548 1.00 0.00 N ATOM 1299 CA PRO A 89 137.417 -0.994 0.901 1.00 0.00 C ATOM 1300 C PRO A 89 137.404 -2.369 1.559 1.00 0.00 C ATOM 1301 O PRO A 89 136.670 -3.264 1.136 1.00 0.00 O ATOM 1302 CB PRO A 89 136.041 -0.332 1.024 1.00 0.00 C ATOM 1303 CG PRO A 89 135.870 0.429 -0.245 1.00 0.00 C ATOM 1304 CD PRO A 89 136.580 -0.368 -1.303 1.00 0.00 C ATOM 0 HA PRO A 89 138.215 -0.445 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.254 -1.076 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.996 0.328 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.814 0.549 -0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 89 136.293 1.430 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.907 -1.066 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 89 137.001 0.275 -2.076 1.00 0.00 H new ATOM 1312 N ASP A 90 138.220 -2.533 2.594 1.00 0.00 N ATOM 1313 CA ASP A 90 138.302 -3.801 3.309 1.00 0.00 C ATOM 1314 C ASP A 90 137.533 -3.735 4.624 1.00 0.00 C ATOM 1315 O ASP A 90 138.011 -3.166 5.606 1.00 0.00 O ATOM 1316 CB ASP A 90 139.763 -4.165 3.578 1.00 0.00 C ATOM 1317 CG ASP A 90 139.987 -5.664 3.624 1.00 0.00 C ATOM 1318 OD1 ASP A 90 140.130 -6.275 2.544 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.017 -6.226 4.739 1.00 0.00 O ATOM 0 H ASP A 90 138.834 -1.804 2.957 1.00 0.00 H new ATOM 0 HA ASP A 90 137.851 -4.572 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.392 -3.730 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.076 -3.725 4.525 1.00 0.00 H new ATOM 1324 N SER A 91 136.339 -4.319 4.637 1.00 0.00 N ATOM 1325 CA SER A 91 135.506 -4.326 5.834 1.00 0.00 C ATOM 1326 C SER A 91 135.639 -5.649 6.582 1.00 0.00 C ATOM 1327 O SER A 91 134.700 -6.099 7.237 1.00 0.00 O ATOM 1328 CB SER A 91 134.042 -4.084 5.463 1.00 0.00 C ATOM 1329 OG SER A 91 133.352 -3.424 6.510 1.00 0.00 O ATOM 0 H SER A 91 135.927 -4.793 3.833 1.00 0.00 H new ATOM 0 HA SER A 91 135.847 -3.523 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.988 -3.485 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.556 -5.036 5.247 1.00 0.00 H new ATOM 0 HG SER A 91 132.419 -3.280 6.247 1.00 0.00 H new ATOM 1335 N ARG A 92 136.812 -6.266 6.479 1.00 0.00 N ATOM 1336 CA ARG A 92 137.067 -7.537 7.147 1.00 0.00 C ATOM 1337 C ARG A 92 137.066 -7.367 8.663 1.00 0.00 C ATOM 1338 O ARG A 92 136.736 -8.295 9.401 1.00 0.00 O ATOM 1339 CB ARG A 92 138.406 -8.118 6.689 1.00 0.00 C ATOM 1340 CG ARG A 92 138.307 -8.944 5.417 1.00 0.00 C ATOM 1341 CD ARG A 92 137.309 -10.081 5.568 1.00 0.00 C ATOM 1342 NE ARG A 92 136.010 -9.750 4.987 1.00 0.00 N ATOM 1343 CZ ARG A 92 134.911 -10.481 5.164 1.00 0.00 C ATOM 1344 NH1 ARG A 92 134.949 -11.582 5.903 1.00 0.00 N ATOM 1345 NH2 ARG A 92 133.771 -10.109 4.598 1.00 0.00 N ATOM 0 H ARG A 92 137.600 -5.907 5.940 1.00 0.00 H new ATOM 0 HA ARG A 92 136.267 -8.226 6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.111 -7.302 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.814 -8.740 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.007 -8.303 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.288 -9.350 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 92 137.704 -10.976 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 92 137.184 -10.316 6.625 1.00 0.00 H new ATOM 0 HE ARG A 92 135.941 -8.910 4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 92 135.824 -11.873 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 92 134.104 -12.137 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 92 133.737 -9.264 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 92 132.929 -10.668 4.733 1.00 0.00 H new