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= -3.39! K(o=-6.6!,f=-2.3) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.17! K(o=-6.6!,f=-3.6) 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 84:sc= -0.189 USER MOD Single : A 62 THR OG1 : rot 179:sc= 0.123 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -112:sc= 0.0506 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 116:sc= 0.678 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.306 (180deg=0.303) 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 62:sc= 0.671 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.193 5.587 1.989 1.00 0.00 N ATOM 200 CA LEU A 18 139.483 4.948 2.219 1.00 0.00 C ATOM 201 C LEU A 18 140.546 5.982 2.577 1.00 0.00 C ATOM 202 O LEU A 18 140.944 6.792 1.741 1.00 0.00 O ATOM 203 CB LEU A 18 139.915 4.162 0.980 1.00 0.00 C ATOM 204 CG LEU A 18 138.847 3.235 0.396 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.067 3.043 -1.097 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.857 1.894 1.114 1.00 0.00 C ATOM 0 HA LEU A 18 139.375 4.260 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.222 4.869 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.792 3.566 1.234 1.00 0.00 H new ATOM 0 HG LEU A 18 137.871 3.697 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.298 2.381 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.011 4.008 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.049 2.602 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.091 1.247 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.835 1.426 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.652 2.047 2.174 1.00 0.00 H new ATOM 218 N GLU A 19 141.003 5.945 3.825 1.00 0.00 N ATOM 219 CA GLU A 19 142.020 6.879 4.293 1.00 0.00 C ATOM 220 C GLU A 19 143.006 6.186 5.228 1.00 0.00 C ATOM 221 O GLU A 19 142.874 4.996 5.513 1.00 0.00 O ATOM 222 CB GLU A 19 141.365 8.062 5.010 1.00 0.00 C ATOM 223 CG GLU A 19 140.356 7.647 6.069 1.00 0.00 C ATOM 224 CD GLU A 19 140.441 8.499 7.320 1.00 0.00 C ATOM 225 OE1 GLU A 19 141.570 8.843 7.730 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.379 8.824 7.891 1.00 0.00 O ATOM 0 H GLU A 19 140.685 5.279 4.529 1.00 0.00 H new ATOM 0 HA GLU A 19 142.567 7.247 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.141 8.668 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.868 8.693 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.350 7.716 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.521 6.602 6.333 1.00 0.00 H new ATOM 233 N VAL A 20 143.994 6.939 5.702 1.00 0.00 N ATOM 234 CA VAL A 20 145.003 6.398 6.605 1.00 0.00 C ATOM 235 C VAL A 20 144.363 5.835 7.870 1.00 0.00 C ATOM 236 O VAL A 20 143.408 6.402 8.400 1.00 0.00 O ATOM 237 CB VAL A 20 146.035 7.470 7.000 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.175 6.849 7.793 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.563 8.184 5.765 1.00 0.00 C ATOM 0 H VAL A 20 144.117 7.926 5.475 1.00 0.00 H new ATOM 0 HA VAL A 20 145.510 5.596 6.069 1.00 0.00 H new ATOM 0 HB VAL A 20 145.541 8.206 7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.894 7.622 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.780 6.389 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.669 6.090 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.291 8.938 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.040 7.461 5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.737 8.665 5.242 1.00 0.00 H new ATOM 249 N GLY A 21 144.897 4.714 8.348 1.00 0.00 N ATOM 250 CA GLY A 21 144.365 4.094 9.547 1.00 0.00 C ATOM 251 C GLY A 21 143.362 2.999 9.237 1.00 0.00 C ATOM 252 O GLY A 21 143.332 1.968 9.909 1.00 0.00 O ATOM 0 H GLY A 21 145.687 4.226 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.185 3.677 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.888 4.855 10.165 1.00 0.00 H new ATOM 256 N SER A 22 142.540 3.222 8.216 1.00 0.00 N ATOM 257 CA SER A 22 141.533 2.247 7.819 1.00 0.00 C ATOM 258 C SER A 22 142.140 1.169 6.927 1.00 0.00 C ATOM 259 O SER A 22 143.184 1.377 6.308 1.00 0.00 O ATOM 260 CB SER A 22 140.381 2.940 7.088 1.00 0.00 C ATOM 261 OG SER A 22 139.915 4.061 7.820 1.00 0.00 O ATOM 0 H SER A 22 142.552 4.070 7.649 1.00 0.00 H new ATOM 0 HA SER A 22 141.149 1.772 8.722 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.712 3.259 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.564 2.234 6.938 1.00 0.00 H new ATOM 0 HG SER A 22 139.180 4.488 7.332 1.00 0.00 H new ATOM 267 N LEU A 23 141.480 0.017 6.867 1.00 0.00 N ATOM 268 CA LEU A 23 141.956 -1.095 6.052 1.00 0.00 C ATOM 269 C LEU A 23 141.365 -1.033 4.648 1.00 0.00 C ATOM 270 O LEU A 23 140.256 -0.536 4.451 1.00 0.00 O ATOM 271 CB LEU A 23 141.597 -2.428 6.711 1.00 0.00 C ATOM 272 CG LEU A 23 142.398 -2.764 7.970 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.572 -3.626 8.913 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.697 -3.466 7.602 1.00 0.00 C ATOM 0 H LEU A 23 140.614 -0.171 7.373 1.00 0.00 H new ATOM 0 HA LEU A 23 143.040 -1.017 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.537 -2.416 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.741 -3.226 5.983 1.00 0.00 H new ATOM 0 HG LEU A 23 142.643 -1.834 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 23 142.158 -3.855 9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.669 -3.088 9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.297 -4.553 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 23 144.255 -3.698 8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.473 -4.389 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.295 -2.814 6.965 1.00 0.00 H new ATOM 286 N ALA A 24 142.112 -1.543 3.674 1.00 0.00 N ATOM 287 CA ALA A 24 141.663 -1.547 2.287 1.00 0.00 C ATOM 288 C ALA A 24 142.247 -2.733 1.526 1.00 0.00 C ATOM 289 O ALA A 24 143.268 -3.294 1.920 1.00 0.00 O ATOM 290 CB ALA A 24 142.041 -0.242 1.605 1.00 0.00 C ATOM 0 H ALA A 24 143.032 -1.959 3.820 1.00 0.00 H new ATOM 0 HA ALA A 24 140.577 -1.644 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.699 -0.260 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.571 0.591 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.124 -0.120 1.627 1.00 0.00 H new ATOM 296 N GLU A 25 141.590 -3.108 0.432 1.00 0.00 N ATOM 297 CA GLU A 25 142.043 -4.228 -0.385 1.00 0.00 C ATOM 298 C GLU A 25 142.350 -3.772 -1.808 1.00 0.00 C ATOM 299 O GLU A 25 141.727 -2.844 -2.321 1.00 0.00 O ATOM 300 CB GLU A 25 140.984 -5.332 -0.407 1.00 0.00 C ATOM 301 CG GLU A 25 141.514 -6.676 -0.879 1.00 0.00 C ATOM 302 CD GLU A 25 140.504 -7.441 -1.711 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.298 -7.134 -1.611 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.920 -8.347 -2.463 1.00 0.00 O ATOM 0 H GLU A 25 140.743 -2.653 0.092 1.00 0.00 H new ATOM 0 HA GLU A 25 142.958 -4.622 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.570 -5.446 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.165 -5.025 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.419 -6.520 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.795 -7.276 -0.013 1.00 0.00 H new ATOM 311 N VAL A 26 143.315 -4.433 -2.442 1.00 0.00 N ATOM 312 CA VAL A 26 143.705 -4.095 -3.805 1.00 0.00 C ATOM 313 C VAL A 26 143.324 -5.207 -4.777 1.00 0.00 C ATOM 314 O VAL A 26 143.308 -6.383 -4.414 1.00 0.00 O ATOM 315 CB VAL A 26 145.219 -3.835 -3.909 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.574 -3.289 -5.284 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.674 -2.882 -2.814 1.00 0.00 C ATOM 0 H VAL A 26 143.840 -5.205 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 26 143.169 -3.184 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 26 145.742 -4.782 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.648 -3.111 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.286 -4.011 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.042 -2.352 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.747 -2.710 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.145 -1.934 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.457 -3.318 -1.839 1.00 0.00 H new ATOM 327 N LYS A 27 143.019 -4.827 -6.013 1.00 0.00 N ATOM 328 CA LYS A 27 142.638 -5.792 -7.038 1.00 0.00 C ATOM 329 C LYS A 27 143.856 -6.246 -7.835 1.00 0.00 C ATOM 330 O LYS A 27 144.131 -5.728 -8.917 1.00 0.00 O ATOM 331 CB LYS A 27 141.596 -5.184 -7.978 1.00 0.00 C ATOM 332 CG LYS A 27 140.860 -6.215 -8.820 1.00 0.00 C ATOM 333 CD LYS A 27 141.342 -6.206 -10.262 1.00 0.00 C ATOM 334 CE LYS A 27 141.289 -7.596 -10.876 1.00 0.00 C ATOM 335 NZ LYS A 27 141.792 -7.605 -12.277 1.00 0.00 N ATOM 0 H LYS A 27 143.028 -3.857 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 27 142.206 -6.661 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.870 -4.624 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.088 -4.471 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.007 -7.207 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.790 -6.011 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 140.726 -5.524 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 27 142.363 -5.828 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 27 141.884 -8.282 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 140.263 -7.962 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 141.739 -8.571 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 141.209 -6.970 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 142.780 -7.280 -12.293 1.00 0.00 H new ATOM 349 N GLU A 28 144.583 -7.219 -7.294 1.00 0.00 N ATOM 350 CA GLU A 28 145.772 -7.744 -7.955 1.00 0.00 C ATOM 351 C GLU A 28 145.696 -9.263 -8.080 1.00 0.00 C ATOM 352 O GLU A 28 144.649 -9.864 -7.844 1.00 0.00 O ATOM 353 CB GLU A 28 147.030 -7.343 -7.180 1.00 0.00 C ATOM 354 CG GLU A 28 148.126 -6.764 -8.060 1.00 0.00 C ATOM 355 CD GLU A 28 148.802 -5.560 -7.433 1.00 0.00 C ATOM 356 OE1 GLU A 28 148.191 -4.471 -7.431 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.942 -5.707 -6.944 1.00 0.00 O ATOM 0 H GLU A 28 144.369 -7.660 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 28 145.822 -7.318 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.760 -6.610 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.419 -8.217 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.873 -7.533 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.701 -6.477 -9.022 1.00 0.00 H new ATOM 364 N ASN A 29 146.815 -9.877 -8.453 1.00 0.00 N ATOM 365 CA ASN A 29 146.875 -11.325 -8.608 1.00 0.00 C ATOM 366 C ASN A 29 146.931 -12.016 -7.247 1.00 0.00 C ATOM 367 O ASN A 29 146.068 -12.831 -6.920 1.00 0.00 O ATOM 368 CB ASN A 29 148.093 -11.719 -9.448 1.00 0.00 C ATOM 369 CG ASN A 29 147.735 -11.979 -10.898 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.584 -13.127 -11.316 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.598 -10.910 -11.674 1.00 0.00 N ATOM 0 H ASN A 29 147.691 -9.394 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 29 145.970 -11.650 -9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.838 -10.925 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.550 -12.613 -9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.358 -11.022 -12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.732 -9.977 -11.285 1.00 0.00 H new ATOM 378 N PRO A 30 147.953 -11.697 -6.434 1.00 0.00 N ATOM 379 CA PRO A 30 148.120 -12.289 -5.105 1.00 0.00 C ATOM 380 C PRO A 30 147.205 -11.646 -4.063 1.00 0.00 C ATOM 381 O PRO A 30 147.389 -10.485 -3.701 1.00 0.00 O ATOM 382 CB PRO A 30 149.583 -11.995 -4.782 1.00 0.00 C ATOM 383 CG PRO A 30 149.872 -10.721 -5.497 1.00 0.00 C ATOM 384 CD PRO A 30 149.028 -10.735 -6.746 1.00 0.00 C ATOM 0 HA PRO A 30 147.864 -13.348 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.740 -11.892 -3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.235 -12.799 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.628 -9.861 -4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.931 -10.646 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.627 -9.746 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.606 -11.049 -7.616 1.00 0.00 H new ATOM 392 N PRO A 31 146.201 -12.393 -3.566 1.00 0.00 N ATOM 393 CA PRO A 31 145.261 -11.880 -2.562 1.00 0.00 C ATOM 394 C PRO A 31 145.954 -11.524 -1.252 1.00 0.00 C ATOM 395 O PRO A 31 146.396 -12.403 -0.513 1.00 0.00 O ATOM 396 CB PRO A 31 144.280 -13.041 -2.347 1.00 0.00 C ATOM 397 CG PRO A 31 144.464 -13.934 -3.527 1.00 0.00 C ATOM 398 CD PRO A 31 145.900 -13.784 -3.937 1.00 0.00 C ATOM 0 HA PRO A 31 144.780 -10.960 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 31 144.493 -13.569 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.253 -12.682 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.237 -14.969 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.794 -13.651 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.546 -14.491 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.036 -13.956 -5.005 1.00 0.00 H new ATOM 406 N PHE A 32 146.045 -10.228 -0.969 1.00 0.00 N ATOM 407 CA PHE A 32 146.685 -9.757 0.254 1.00 0.00 C ATOM 408 C PHE A 32 145.819 -8.715 0.955 1.00 0.00 C ATOM 409 O PHE A 32 144.887 -8.169 0.365 1.00 0.00 O ATOM 410 CB PHE A 32 148.062 -9.169 -0.058 1.00 0.00 C ATOM 411 CG PHE A 32 148.060 -8.215 -1.219 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.362 -7.020 -1.150 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.759 -8.514 -2.377 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.359 -6.142 -2.217 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.759 -7.640 -3.448 1.00 0.00 C ATOM 416 CZ PHE A 32 148.059 -6.452 -3.368 1.00 0.00 C ATOM 0 H PHE A 32 145.684 -9.486 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 32 146.807 -10.610 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.436 -8.652 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.756 -9.983 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.814 -6.772 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.310 -9.440 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.810 -5.214 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.306 -7.886 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.059 -5.767 -4.203 1.00 0.00 H new ATOM 426 N TYR A 33 146.135 -8.443 2.217 1.00 0.00 N ATOM 427 CA TYR A 33 145.387 -7.466 2.999 1.00 0.00 C ATOM 428 C TYR A 33 146.331 -6.522 3.736 1.00 0.00 C ATOM 429 O TYR A 33 147.344 -6.948 4.290 1.00 0.00 O ATOM 430 CB TYR A 33 144.472 -8.176 3.999 1.00 0.00 C ATOM 431 CG TYR A 33 143.246 -8.794 3.366 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.360 -8.023 2.625 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.976 -10.149 3.508 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.238 -8.584 2.045 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.857 -10.718 2.931 1.00 0.00 C ATOM 436 CZ TYR A 33 140.992 -9.931 2.200 1.00 0.00 C ATOM 437 OH TYR A 33 139.875 -10.494 1.624 1.00 0.00 O ATOM 0 H TYR A 33 146.904 -8.886 2.720 1.00 0.00 H new ATOM 0 HA TYR A 33 144.777 -6.878 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.039 -8.955 4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.157 -7.462 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.551 -6.967 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.652 -10.768 4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.558 -7.970 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.661 -11.773 3.052 1.00 0.00 H new ATOM 0 HH TYR A 33 139.850 -11.452 1.828 1.00 0.00 H new ATOM 447 N GLY A 34 145.991 -5.237 3.739 1.00 0.00 N ATOM 448 CA GLY A 34 146.818 -4.253 4.412 1.00 0.00 C ATOM 449 C GLY A 34 146.029 -3.038 4.858 1.00 0.00 C ATOM 450 O GLY A 34 144.844 -2.911 4.549 1.00 0.00 O ATOM 0 H GLY A 34 145.158 -4.860 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.291 -4.713 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.618 -3.937 3.743 1.00 0.00 H new ATOM 454 N VAL A 35 146.687 -2.143 5.588 1.00 0.00 N ATOM 455 CA VAL A 35 146.038 -0.932 6.079 1.00 0.00 C ATOM 456 C VAL A 35 146.696 0.316 5.500 1.00 0.00 C ATOM 457 O VAL A 35 147.920 0.388 5.382 1.00 0.00 O ATOM 458 CB VAL A 35 146.078 -0.860 7.619 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.514 -0.810 8.119 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.288 0.341 8.119 1.00 0.00 C ATOM 0 H VAL A 35 147.668 -2.233 5.852 1.00 0.00 H new ATOM 0 HA VAL A 35 144.998 -0.972 5.754 1.00 0.00 H new ATOM 0 HB VAL A 35 145.614 -1.763 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.519 -0.760 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.043 -1.706 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 35 148.010 0.071 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.328 0.375 9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.719 1.255 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.250 0.254 7.796 1.00 0.00 H new ATOM 470 N ILE A 36 145.876 1.300 5.143 1.00 0.00 N ATOM 471 CA ILE A 36 146.379 2.546 4.577 1.00 0.00 C ATOM 472 C ILE A 36 147.308 3.255 5.558 1.00 0.00 C ATOM 473 O ILE A 36 147.020 3.340 6.751 1.00 0.00 O ATOM 474 CB ILE A 36 145.228 3.498 4.194 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.210 2.776 3.308 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.772 4.732 3.486 1.00 0.00 C ATOM 477 CD1 ILE A 36 143.058 3.654 2.872 1.00 0.00 C ATOM 0 H ILE A 36 144.861 1.258 5.236 1.00 0.00 H new ATOM 0 HA ILE A 36 146.934 2.284 3.676 1.00 0.00 H new ATOM 0 HB ILE A 36 144.725 3.818 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.718 2.392 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.816 1.915 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.947 5.394 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.461 5.257 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.298 4.430 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.377 3.076 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.525 4.018 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.441 4.501 2.304 1.00 0.00 H new ATOM 489 N ARG A 37 148.425 3.761 5.045 1.00 0.00 N ATOM 490 CA ARG A 37 149.398 4.463 5.876 1.00 0.00 C ATOM 491 C ARG A 37 149.620 5.885 5.372 1.00 0.00 C ATOM 492 O ARG A 37 149.301 6.854 6.060 1.00 0.00 O ATOM 493 CB ARG A 37 150.725 3.703 5.895 1.00 0.00 C ATOM 494 CG ARG A 37 150.572 2.216 6.176 1.00 0.00 C ATOM 495 CD ARG A 37 150.497 1.937 7.668 1.00 0.00 C ATOM 496 NE ARG A 37 149.266 2.455 8.261 1.00 0.00 N ATOM 497 CZ ARG A 37 149.103 2.662 9.566 1.00 0.00 C ATOM 498 NH1 ARG A 37 150.087 2.396 10.417 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.951 3.135 10.023 1.00 0.00 N ATOM 0 H ARG A 37 148.679 3.698 4.059 1.00 0.00 H new ATOM 0 HA ARG A 37 149.002 4.515 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.222 3.833 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.375 4.142 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.671 1.843 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.414 1.674 5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.557 0.862 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 151.356 2.388 8.165 1.00 0.00 H new ATOM 0 HE ARG A 37 148.487 2.670 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.975 2.031 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.955 2.557 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 37 147.191 3.340 9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.826 3.294 11.023 1.00 0.00 H new ATOM 513 N TRP A 38 150.168 6.003 4.168 1.00 0.00 N ATOM 514 CA TRP A 38 150.433 7.308 3.573 1.00 0.00 C ATOM 515 C TRP A 38 149.677 7.472 2.256 1.00 0.00 C ATOM 516 O TRP A 38 149.724 6.600 1.389 1.00 0.00 O ATOM 517 CB TRP A 38 151.937 7.494 3.343 1.00 0.00 C ATOM 518 CG TRP A 38 152.271 8.679 2.486 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.549 9.947 2.909 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.356 8.706 1.056 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.802 10.760 1.830 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.689 10.021 0.681 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.183 7.745 0.057 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.852 10.398 -0.650 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.345 8.119 -1.263 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.676 9.435 -1.607 1.00 0.00 C ATOM 0 H TRP A 38 150.438 5.211 3.585 1.00 0.00 H new ATOM 0 HA TRP A 38 150.083 8.073 4.267 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.433 7.602 4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.339 6.594 2.877 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.567 10.265 3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 38 153.036 11.752 1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.927 6.727 0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.108 11.413 -0.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.214 7.383 -2.043 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.795 9.696 -2.648 1.00 0.00 H new ATOM 537 N ILE A 39 148.993 8.601 2.114 1.00 0.00 N ATOM 538 CA ILE A 39 148.236 8.890 0.902 1.00 0.00 C ATOM 539 C ILE A 39 148.716 10.190 0.268 1.00 0.00 C ATOM 540 O ILE A 39 148.434 11.278 0.771 1.00 0.00 O ATOM 541 CB ILE A 39 146.726 8.999 1.193 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.253 7.793 2.006 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.943 9.110 -0.106 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.821 7.908 2.482 1.00 0.00 C ATOM 0 H ILE A 39 148.947 9.332 2.824 1.00 0.00 H new ATOM 0 HA ILE A 39 148.402 8.062 0.213 1.00 0.00 H new ATOM 0 HB ILE A 39 146.548 9.900 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.354 6.894 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.906 7.669 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.879 9.186 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.265 9.998 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.124 8.225 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.554 7.018 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.718 8.789 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.158 8.001 1.622 1.00 0.00 H new ATOM 556 N GLY A 40 149.446 10.073 -0.836 1.00 0.00 N ATOM 557 CA GLY A 40 149.956 11.250 -1.512 1.00 0.00 C ATOM 558 C GLY A 40 150.450 10.954 -2.913 1.00 0.00 C ATOM 559 O GLY A 40 150.200 9.877 -3.455 1.00 0.00 O ATOM 0 H GLY A 40 149.693 9.185 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.171 12.005 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.771 11.675 -0.926 1.00 0.00 H new ATOM 563 N GLN A 41 151.151 11.918 -3.503 1.00 0.00 N ATOM 564 CA GLN A 41 151.682 11.767 -4.850 1.00 0.00 C ATOM 565 C GLN A 41 153.178 12.077 -4.881 1.00 0.00 C ATOM 566 O GLN A 41 153.587 13.211 -4.627 1.00 0.00 O ATOM 567 CB GLN A 41 150.936 12.694 -5.810 1.00 0.00 C ATOM 568 CG GLN A 41 149.424 12.612 -5.681 1.00 0.00 C ATOM 569 CD GLN A 41 148.756 13.969 -5.779 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.808 14.769 -4.846 1.00 0.00 O ATOM 571 NE2 GLN A 41 148.124 14.235 -6.916 1.00 0.00 N ATOM 0 H GLN A 41 151.364 12.815 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 41 151.539 10.733 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.253 13.721 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.219 12.448 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.031 11.961 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.169 12.154 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.106 13.542 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.656 15.133 -7.042 1.00 0.00 H new ATOM 580 N PRO A 42 154.020 11.075 -5.191 1.00 0.00 N ATOM 581 CA PRO A 42 155.475 11.257 -5.248 1.00 0.00 C ATOM 582 C PRO A 42 155.883 12.348 -6.233 1.00 0.00 C ATOM 583 O PRO A 42 155.116 12.706 -7.128 1.00 0.00 O ATOM 584 CB PRO A 42 155.994 9.893 -5.715 1.00 0.00 C ATOM 585 CG PRO A 42 154.914 8.931 -5.358 1.00 0.00 C ATOM 586 CD PRO A 42 153.628 9.690 -5.508 1.00 0.00 C ATOM 0 HA PRO A 42 155.881 11.572 -4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.188 9.890 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.931 9.636 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.933 8.060 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.036 8.566 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.225 9.606 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.861 9.322 -4.827 1.00 0.00 H new ATOM 594 N PRO A 43 157.103 12.891 -6.082 1.00 0.00 N ATOM 595 CA PRO A 43 157.611 13.946 -6.963 1.00 0.00 C ATOM 596 C PRO A 43 157.953 13.424 -8.354 1.00 0.00 C ATOM 597 O PRO A 43 159.092 13.042 -8.621 1.00 0.00 O ATOM 598 CB PRO A 43 158.874 14.427 -6.250 1.00 0.00 C ATOM 599 CG PRO A 43 159.327 13.252 -5.454 1.00 0.00 C ATOM 600 CD PRO A 43 158.079 12.520 -5.041 1.00 0.00 C ATOM 0 HA PRO A 43 156.872 14.730 -7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.637 14.741 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.665 15.284 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.978 12.609 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.899 13.569 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.239 11.442 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.744 12.825 -4.050 1.00 0.00 H new ATOM 608 N GLY A 44 156.960 13.410 -9.236 1.00 0.00 N ATOM 609 CA GLY A 44 157.179 12.932 -10.588 1.00 0.00 C ATOM 610 C GLY A 44 155.901 12.471 -11.257 1.00 0.00 C ATOM 611 O GLY A 44 155.595 12.885 -12.375 1.00 0.00 O ATOM 0 H GLY A 44 156.009 13.721 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.629 13.727 -11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.892 12.107 -10.567 1.00 0.00 H new ATOM 615 N LEU A 45 155.154 11.611 -10.574 1.00 0.00 N ATOM 616 CA LEU A 45 153.902 11.095 -11.112 1.00 0.00 C ATOM 617 C LEU A 45 152.735 11.431 -10.190 1.00 0.00 C ATOM 618 O LEU A 45 152.647 10.916 -9.076 1.00 0.00 O ATOM 619 CB LEU A 45 153.993 9.580 -11.306 1.00 0.00 C ATOM 620 CG LEU A 45 154.530 8.806 -10.099 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.083 7.352 -10.154 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.049 8.900 -10.039 1.00 0.00 C ATOM 0 H LEU A 45 155.394 11.257 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 45 153.727 11.569 -12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.001 9.200 -11.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.634 9.376 -12.164 1.00 0.00 H new ATOM 0 HG LEU A 45 154.123 9.254 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.474 6.818 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 45 152.994 7.306 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.460 6.890 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.414 8.344 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.476 8.478 -10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.346 9.945 -9.950 1.00 0.00 H new ATOM 634 N ASN A 46 151.839 12.293 -10.660 1.00 0.00 N ATOM 635 CA ASN A 46 150.682 12.685 -9.866 1.00 0.00 C ATOM 636 C ASN A 46 149.666 11.550 -9.807 1.00 0.00 C ATOM 637 O ASN A 46 148.992 11.253 -10.792 1.00 0.00 O ATOM 638 CB ASN A 46 150.034 13.937 -10.460 1.00 0.00 C ATOM 639 CG ASN A 46 149.364 14.797 -9.406 1.00 0.00 C ATOM 640 OD1 ASN A 46 149.991 15.199 -8.426 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.083 15.083 -9.604 1.00 0.00 N ATOM 0 H ASN A 46 151.892 12.730 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 46 151.017 12.906 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.793 14.525 -10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.297 13.642 -11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.579 15.658 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.603 14.728 -10.431 1.00 0.00 H new ATOM 648 N GLU A 47 149.563 10.920 -8.642 1.00 0.00 N ATOM 649 CA GLU A 47 148.631 9.817 -8.447 1.00 0.00 C ATOM 650 C GLU A 47 148.480 9.494 -6.965 1.00 0.00 C ATOM 651 O GLU A 47 149.455 9.161 -6.291 1.00 0.00 O ATOM 652 CB GLU A 47 149.104 8.574 -9.206 1.00 0.00 C ATOM 653 CG GLU A 47 150.611 8.372 -9.178 1.00 0.00 C ATOM 654 CD GLU A 47 151.090 7.413 -10.250 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.171 7.829 -11.425 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.384 6.246 -9.915 1.00 0.00 O ATOM 0 H GLU A 47 150.115 11.155 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 47 147.660 10.122 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.621 7.694 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.776 8.647 -10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.105 9.334 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.905 7.993 -8.199 1.00 0.00 H new ATOM 663 N VAL A 48 147.255 9.585 -6.461 1.00 0.00 N ATOM 664 CA VAL A 48 146.988 9.294 -5.059 1.00 0.00 C ATOM 665 C VAL A 48 147.302 7.836 -4.743 1.00 0.00 C ATOM 666 O VAL A 48 146.505 6.943 -5.029 1.00 0.00 O ATOM 667 CB VAL A 48 145.522 9.585 -4.689 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.318 9.474 -3.186 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.108 10.959 -5.192 1.00 0.00 C ATOM 0 H VAL A 48 146.434 9.857 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 48 147.633 9.945 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 48 144.889 8.841 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.276 9.683 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.572 8.466 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.960 10.193 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.069 11.148 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.745 11.719 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.213 10.996 -6.276 1.00 0.00 H new ATOM 679 N LEU A 49 148.472 7.601 -4.156 1.00 0.00 N ATOM 680 CA LEU A 49 148.892 6.250 -3.807 1.00 0.00 C ATOM 681 C LEU A 49 148.847 6.042 -2.299 1.00 0.00 C ATOM 682 O LEU A 49 149.562 6.707 -1.549 1.00 0.00 O ATOM 683 CB LEU A 49 150.306 5.982 -4.327 1.00 0.00 C ATOM 684 CG LEU A 49 150.455 6.034 -5.849 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.876 6.420 -6.232 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.080 4.696 -6.467 1.00 0.00 C ATOM 0 H LEU A 49 149.144 8.328 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 49 148.201 5.549 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.984 6.712 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.625 5.000 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 49 149.776 6.794 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 49 151.964 6.452 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.110 7.401 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.573 5.683 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.192 4.751 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.734 3.918 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.045 4.459 -6.221 1.00 0.00 H new ATOM 698 N ALA A 50 148.001 5.118 -1.861 1.00 0.00 N ATOM 699 CA ALA A 50 147.865 4.827 -0.441 1.00 0.00 C ATOM 700 C ALA A 50 148.802 3.700 -0.019 1.00 0.00 C ATOM 701 O ALA A 50 148.655 2.561 -0.462 1.00 0.00 O ATOM 702 CB ALA A 50 146.423 4.471 -0.111 1.00 0.00 C ATOM 0 H ALA A 50 147.401 4.559 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 50 148.143 5.722 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.336 4.256 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.774 5.309 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.125 3.593 -0.684 1.00 0.00 H new ATOM 708 N GLY A 51 149.764 4.024 0.838 1.00 0.00 N ATOM 709 CA GLY A 51 150.710 3.029 1.304 1.00 0.00 C ATOM 710 C GLY A 51 150.071 2.011 2.229 1.00 0.00 C ATOM 711 O GLY A 51 149.790 2.310 3.390 1.00 0.00 O ATOM 0 H GLY A 51 149.905 4.960 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.144 2.515 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.528 3.526 1.825 1.00 0.00 H new ATOM 715 N LEU A 52 149.841 0.808 1.715 1.00 0.00 N ATOM 716 CA LEU A 52 149.231 -0.256 2.503 1.00 0.00 C ATOM 717 C LEU A 52 150.296 -1.119 3.171 1.00 0.00 C ATOM 718 O LEU A 52 151.352 -1.377 2.594 1.00 0.00 O ATOM 719 CB LEU A 52 148.333 -1.124 1.619 1.00 0.00 C ATOM 720 CG LEU A 52 147.158 -0.390 0.972 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.581 -1.211 -0.171 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.085 -0.087 2.006 1.00 0.00 C ATOM 0 H LEU A 52 150.068 0.545 0.756 1.00 0.00 H new ATOM 0 HA LEU A 52 148.624 0.206 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.943 -1.567 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.942 -1.945 2.220 1.00 0.00 H new ATOM 0 HG LEU A 52 147.522 0.554 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.746 -0.673 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.351 -1.378 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.232 -2.171 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.256 0.436 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.724 -1.020 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.504 0.541 2.792 1.00 0.00 H new ATOM 734 N GLU A 53 150.010 -1.565 4.390 1.00 0.00 N ATOM 735 CA GLU A 53 150.943 -2.400 5.137 1.00 0.00 C ATOM 736 C GLU A 53 150.426 -3.831 5.244 1.00 0.00 C ATOM 737 O GLU A 53 149.452 -4.099 5.948 1.00 0.00 O ATOM 738 CB GLU A 53 151.171 -1.823 6.535 1.00 0.00 C ATOM 739 CG GLU A 53 152.170 -2.613 7.365 1.00 0.00 C ATOM 740 CD GLU A 53 151.776 -2.697 8.827 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.970 -1.856 9.275 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.274 -3.607 9.524 1.00 0.00 O ATOM 0 H GLU A 53 149.139 -1.362 4.881 1.00 0.00 H new ATOM 0 HA GLU A 53 151.890 -2.413 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.521 -0.795 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.219 -1.788 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.259 -3.620 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.153 -2.148 7.283 1.00 0.00 H new ATOM 749 N LEU A 54 151.083 -4.747 4.540 1.00 0.00 N ATOM 750 CA LEU A 54 150.690 -6.152 4.556 1.00 0.00 C ATOM 751 C LEU A 54 150.936 -6.770 5.929 1.00 0.00 C ATOM 752 O LEU A 54 151.987 -6.563 6.535 1.00 0.00 O ATOM 753 CB LEU A 54 151.460 -6.929 3.488 1.00 0.00 C ATOM 754 CG LEU A 54 151.434 -6.309 2.090 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.561 -6.869 1.236 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.087 -6.552 1.425 1.00 0.00 C ATOM 0 H LEU A 54 151.890 -4.542 3.951 1.00 0.00 H new ATOM 0 HA LEU A 54 149.623 -6.209 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.498 -7.024 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.051 -7.938 3.429 1.00 0.00 H new ATOM 0 HG LEU A 54 151.581 -5.233 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.526 -6.416 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.519 -6.644 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.447 -7.949 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.086 -6.104 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.911 -7.624 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.298 -6.102 2.027 1.00 0.00 H new ATOM 768 N GLU A 55 149.958 -7.528 6.413 1.00 0.00 N ATOM 769 CA GLU A 55 150.067 -8.176 7.715 1.00 0.00 C ATOM 770 C GLU A 55 151.139 -9.261 7.696 1.00 0.00 C ATOM 771 O GLU A 55 151.836 -9.478 8.686 1.00 0.00 O ATOM 772 CB GLU A 55 148.722 -8.779 8.123 1.00 0.00 C ATOM 773 CG GLU A 55 147.657 -7.739 8.430 1.00 0.00 C ATOM 774 CD GLU A 55 146.711 -7.512 7.268 1.00 0.00 C ATOM 775 OE1 GLU A 55 145.916 -8.426 6.962 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.763 -6.420 6.663 1.00 0.00 O ATOM 0 H GLU A 55 149.081 -7.709 5.924 1.00 0.00 H new ATOM 0 HA GLU A 55 150.355 -7.420 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.366 -9.426 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.867 -9.409 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.085 -8.056 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 55 148.139 -6.797 8.690 1.00 0.00 H new ATOM 783 N ASP A 56 151.263 -9.943 6.561 1.00 0.00 N ATOM 784 CA ASP A 56 152.251 -11.006 6.412 1.00 0.00 C ATOM 785 C ASP A 56 153.446 -10.528 5.596 1.00 0.00 C ATOM 786 O ASP A 56 153.285 -9.897 4.551 1.00 0.00 O ATOM 787 CB ASP A 56 151.617 -12.228 5.745 1.00 0.00 C ATOM 788 CG ASP A 56 151.036 -13.201 6.753 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.722 -13.498 7.754 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.897 -13.665 6.541 1.00 0.00 O ATOM 0 H ASP A 56 150.692 -9.778 5.732 1.00 0.00 H new ATOM 0 HA ASP A 56 152.602 -11.284 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.830 -11.900 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.367 -12.739 5.141 1.00 0.00 H new ATOM 795 N GLU A 57 154.646 -10.834 6.078 1.00 0.00 N ATOM 796 CA GLU A 57 155.870 -10.436 5.392 1.00 0.00 C ATOM 797 C GLU A 57 155.928 -11.034 3.991 1.00 0.00 C ATOM 798 O GLU A 57 156.352 -12.176 3.810 1.00 0.00 O ATOM 799 CB GLU A 57 157.095 -10.872 6.197 1.00 0.00 C ATOM 800 CG GLU A 57 157.104 -10.349 7.624 1.00 0.00 C ATOM 801 CD GLU A 57 156.564 -11.358 8.618 1.00 0.00 C ATOM 802 OE1 GLU A 57 155.759 -12.221 8.210 1.00 0.00 O ATOM 803 OE2 GLU A 57 156.945 -11.284 9.805 1.00 0.00 O ATOM 0 H GLU A 57 154.797 -11.356 6.941 1.00 0.00 H new ATOM 0 HA GLU A 57 155.870 -9.350 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.137 -11.961 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.995 -10.528 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 57 158.123 -10.080 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.508 -9.438 7.677 1.00 0.00 H new ATOM 810 N CYS A 58 155.499 -10.256 3.003 1.00 0.00 N ATOM 811 CA CYS A 58 155.502 -10.709 1.617 1.00 0.00 C ATOM 812 C CYS A 58 156.853 -10.442 0.960 1.00 0.00 C ATOM 813 O CYS A 58 157.328 -9.307 0.933 1.00 0.00 O ATOM 814 CB CYS A 58 154.392 -10.013 0.828 1.00 0.00 C ATOM 815 SG CYS A 58 154.271 -10.539 -0.897 1.00 0.00 S ATOM 0 H CYS A 58 155.145 -9.309 3.136 1.00 0.00 H new ATOM 0 HA CYS A 58 155.322 -11.784 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 58 153.438 -10.200 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 58 154.560 -8.936 0.857 1.00 0.00 H new ATOM 0 HG CYS A 58 153.303 -9.896 -1.480 1.00 0.00 H new ATOM 821 N ALA A 59 157.466 -11.496 0.431 1.00 0.00 N ATOM 822 CA ALA A 59 158.762 -11.375 -0.226 1.00 0.00 C ATOM 823 C ALA A 59 158.686 -10.433 -1.423 1.00 0.00 C ATOM 824 O ALA A 59 157.969 -10.698 -2.389 1.00 0.00 O ATOM 825 CB ALA A 59 159.262 -12.744 -0.661 1.00 0.00 C ATOM 0 H ALA A 59 157.086 -12.443 0.445 1.00 0.00 H new ATOM 0 HA ALA A 59 159.467 -10.953 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 59 160.230 -12.639 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 59 159.364 -13.388 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 59 158.550 -13.187 -1.357 1.00 0.00 H new ATOM 831 N GLY A 60 159.428 -9.334 -1.352 1.00 0.00 N ATOM 832 CA GLY A 60 159.430 -8.369 -2.437 1.00 0.00 C ATOM 833 C GLY A 60 158.687 -7.096 -2.082 1.00 0.00 C ATOM 834 O GLY A 60 157.935 -6.561 -2.896 1.00 0.00 O ATOM 0 H GLY A 60 160.028 -9.093 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.459 -8.124 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 60 158.974 -8.818 -3.319 1.00 0.00 H new ATOM 838 N CYS A 61 158.897 -6.610 -0.863 1.00 0.00 N ATOM 839 CA CYS A 61 158.240 -5.392 -0.402 1.00 0.00 C ATOM 840 C CYS A 61 159.222 -4.494 0.343 1.00 0.00 C ATOM 841 O CYS A 61 160.342 -4.903 0.652 1.00 0.00 O ATOM 842 CB CYS A 61 157.058 -5.738 0.505 1.00 0.00 C ATOM 843 SG CYS A 61 155.845 -6.842 -0.254 1.00 0.00 S ATOM 0 H CYS A 61 159.517 -7.041 -0.177 1.00 0.00 H new ATOM 0 HA CYS A 61 157.873 -4.853 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.436 -6.202 1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.559 -4.815 0.801 1.00 0.00 H new ATOM 0 HG CYS A 61 156.233 -8.075 -0.114 1.00 0.00 H new ATOM 849 N THR A 62 158.796 -3.268 0.629 1.00 0.00 N ATOM 850 CA THR A 62 159.637 -2.311 1.338 1.00 0.00 C ATOM 851 C THR A 62 159.197 -2.171 2.790 1.00 0.00 C ATOM 852 O THR A 62 158.253 -2.829 3.230 1.00 0.00 O ATOM 853 CB THR A 62 159.591 -0.949 0.645 1.00 0.00 C ATOM 854 OG1 THR A 62 158.350 -0.308 0.879 1.00 0.00 O ATOM 855 CG2 THR A 62 159.791 -1.031 -0.853 1.00 0.00 C ATOM 0 H THR A 62 157.872 -2.914 0.380 1.00 0.00 H new ATOM 0 HA THR A 62 160.661 -2.684 1.323 1.00 0.00 H new ATOM 0 HB THR A 62 160.416 -0.380 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.345 0.567 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 62 159.747 -0.030 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 62 160.764 -1.474 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.007 -1.648 -1.292 1.00 0.00 H new ATOM 863 N ASP A 63 159.886 -1.310 3.533 1.00 0.00 N ATOM 864 CA ASP A 63 159.564 -1.083 4.937 1.00 0.00 C ATOM 865 C ASP A 63 158.915 0.283 5.133 1.00 0.00 C ATOM 866 O ASP A 63 159.079 0.916 6.177 1.00 0.00 O ATOM 867 CB ASP A 63 160.827 -1.189 5.794 1.00 0.00 C ATOM 868 CG ASP A 63 161.869 -0.155 5.418 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.277 -0.124 4.237 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.279 0.624 6.304 1.00 0.00 O ATOM 0 H ASP A 63 160.671 -0.758 3.186 1.00 0.00 H new ATOM 0 HA ASP A 63 158.855 -1.849 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.561 -1.068 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.253 -2.186 5.686 1.00 0.00 H new ATOM 875 N GLY A 64 158.180 0.734 4.122 1.00 0.00 N ATOM 876 CA GLY A 64 157.517 2.023 4.204 1.00 0.00 C ATOM 877 C GLY A 64 158.203 3.081 3.362 1.00 0.00 C ATOM 878 O GLY A 64 158.146 4.269 3.680 1.00 0.00 O ATOM 0 H GLY A 64 158.031 0.230 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.482 1.918 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.492 2.350 5.243 1.00 0.00 H new ATOM 882 N THR A 65 158.852 2.650 2.285 1.00 0.00 N ATOM 883 CA THR A 65 159.552 3.569 1.395 1.00 0.00 C ATOM 884 C THR A 65 159.130 3.350 -0.054 1.00 0.00 C ATOM 885 O THR A 65 159.318 2.267 -0.609 1.00 0.00 O ATOM 886 CB THR A 65 161.065 3.392 1.530 1.00 0.00 C ATOM 887 OG1 THR A 65 161.396 2.023 1.693 1.00 0.00 O ATOM 888 CG2 THR A 65 161.654 4.148 2.700 1.00 0.00 C ATOM 0 H THR A 65 158.908 1.670 2.008 1.00 0.00 H new ATOM 0 HA THR A 65 159.286 4.586 1.683 1.00 0.00 H new ATOM 0 HB THR A 65 161.487 3.795 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.368 1.929 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.730 3.979 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.458 5.214 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 65 161.199 3.797 3.626 1.00 0.00 H new ATOM 896 N PHE A 66 158.560 4.385 -0.663 1.00 0.00 N ATOM 897 CA PHE A 66 158.112 4.304 -2.048 1.00 0.00 C ATOM 898 C PHE A 66 159.029 5.108 -2.965 1.00 0.00 C ATOM 899 O PHE A 66 159.115 6.331 -2.857 1.00 0.00 O ATOM 900 CB PHE A 66 156.675 4.814 -2.172 1.00 0.00 C ATOM 901 CG PHE A 66 156.029 4.474 -3.484 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.826 3.153 -3.849 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.625 5.475 -4.354 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.232 2.836 -5.057 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.032 5.165 -5.562 1.00 0.00 C ATOM 906 CZ PHE A 66 154.834 3.843 -5.914 1.00 0.00 C ATOM 0 H PHE A 66 158.398 5.289 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 66 158.147 3.258 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.078 4.394 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.670 5.896 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.135 2.362 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.776 6.510 -4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.080 1.802 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.723 5.955 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.369 3.598 -6.857 1.00 0.00 H new ATOM 916 N ARG A 67 159.713 4.411 -3.867 1.00 0.00 N ATOM 917 CA ARG A 67 160.624 5.059 -4.803 1.00 0.00 C ATOM 918 C ARG A 67 161.735 5.794 -4.062 1.00 0.00 C ATOM 919 O ARG A 67 162.174 6.864 -4.482 1.00 0.00 O ATOM 920 CB ARG A 67 159.858 6.036 -5.698 1.00 0.00 C ATOM 921 CG ARG A 67 158.819 5.365 -6.581 1.00 0.00 C ATOM 922 CD ARG A 67 158.307 6.310 -7.654 1.00 0.00 C ATOM 923 NE ARG A 67 159.178 6.330 -8.827 1.00 0.00 N ATOM 924 CZ ARG A 67 159.307 5.310 -9.672 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.624 4.189 -9.480 1.00 0.00 N ATOM 926 NH2 ARG A 67 160.122 5.412 -10.714 1.00 0.00 N ATOM 0 H ARG A 67 159.653 3.398 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 67 161.077 4.286 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.365 6.779 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.568 6.571 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.254 4.482 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.985 5.023 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.303 6.009 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.229 7.317 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 67 159.719 7.175 -9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 67 157.995 4.105 -8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.727 3.411 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 67 160.649 6.272 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 67 160.221 4.631 -11.362 1.00 0.00 H new ATOM 940 N GLY A 68 162.187 5.212 -2.955 1.00 0.00 N ATOM 941 CA GLY A 68 163.243 5.827 -2.173 1.00 0.00 C ATOM 942 C GLY A 68 162.762 7.037 -1.396 1.00 0.00 C ATOM 943 O GLY A 68 163.536 7.953 -1.119 1.00 0.00 O ATOM 0 H GLY A 68 161.841 4.326 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.651 5.092 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.055 6.125 -2.836 1.00 0.00 H new ATOM 947 N THR A 69 161.481 7.040 -1.044 1.00 0.00 N ATOM 948 CA THR A 69 160.897 8.147 -0.295 1.00 0.00 C ATOM 949 C THR A 69 160.046 7.632 0.861 1.00 0.00 C ATOM 950 O THR A 69 158.867 7.323 0.687 1.00 0.00 O ATOM 951 CB THR A 69 160.049 9.023 -1.217 1.00 0.00 C ATOM 952 OG1 THR A 69 160.737 9.293 -2.425 1.00 0.00 O ATOM 953 CG2 THR A 69 159.669 10.351 -0.598 1.00 0.00 C ATOM 0 H THR A 69 160.827 6.289 -1.265 1.00 0.00 H new ATOM 0 HA THR A 69 161.711 8.745 0.115 1.00 0.00 H new ATOM 0 HB THR A 69 159.139 8.452 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.177 9.853 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.068 10.923 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.093 10.177 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.572 10.910 -0.354 1.00 0.00 H new ATOM 961 N ARG A 70 160.651 7.542 2.041 1.00 0.00 N ATOM 962 CA ARG A 70 159.949 7.064 3.226 1.00 0.00 C ATOM 963 C ARG A 70 158.808 8.005 3.600 1.00 0.00 C ATOM 964 O ARG A 70 158.979 9.224 3.623 1.00 0.00 O ATOM 965 CB ARG A 70 160.920 6.931 4.401 1.00 0.00 C ATOM 966 CG ARG A 70 160.340 6.178 5.588 1.00 0.00 C ATOM 967 CD ARG A 70 160.741 6.817 6.909 1.00 0.00 C ATOM 968 NE ARG A 70 161.752 6.032 7.613 1.00 0.00 N ATOM 969 CZ ARG A 70 163.055 6.085 7.344 1.00 0.00 C ATOM 970 NH1 ARG A 70 163.511 6.883 6.385 1.00 0.00 N ATOM 971 NH2 ARG A 70 163.905 5.337 8.033 1.00 0.00 N ATOM 0 H ARG A 70 161.626 7.794 2.202 1.00 0.00 H new ATOM 0 HA ARG A 70 159.529 6.085 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.820 6.419 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.223 7.926 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.253 6.156 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.682 5.143 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.125 7.820 6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.860 6.924 7.542 1.00 0.00 H new ATOM 0 HE ARG A 70 161.441 5.405 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 70 162.862 7.460 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 70 164.510 6.919 6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 70 163.561 4.721 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.903 5.378 7.827 1.00 0.00 H new ATOM 985 N TYR A 71 157.646 7.431 3.890 1.00 0.00 N ATOM 986 CA TYR A 71 156.476 8.218 4.264 1.00 0.00 C ATOM 987 C TYR A 71 156.055 7.920 5.700 1.00 0.00 C ATOM 988 O TYR A 71 155.648 8.817 6.437 1.00 0.00 O ATOM 989 CB TYR A 71 155.316 7.932 3.309 1.00 0.00 C ATOM 990 CG TYR A 71 155.479 8.569 1.948 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.717 9.933 1.823 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.397 7.809 0.788 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.867 10.520 0.581 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.547 8.389 -0.457 1.00 0.00 C ATOM 995 CZ TYR A 71 155.781 9.745 -0.555 1.00 0.00 C ATOM 996 OH TYR A 71 155.931 10.325 -1.793 1.00 0.00 O ATOM 0 H TYR A 71 157.489 6.423 3.873 1.00 0.00 H new ATOM 0 HA TYR A 71 156.742 9.273 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.216 6.854 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.390 8.289 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.786 10.544 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.213 6.747 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.051 11.581 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.481 7.784 -1.349 1.00 0.00 H new ATOM 0 HH TYR A 71 155.075 10.303 -2.270 1.00 0.00 H new ATOM 1006 N PHE A 72 156.155 6.653 6.089 1.00 0.00 N ATOM 1007 CA PHE A 72 155.784 6.235 7.436 1.00 0.00 C ATOM 1008 C PHE A 72 156.783 5.220 7.984 1.00 0.00 C ATOM 1009 O PHE A 72 157.758 4.872 7.320 1.00 0.00 O ATOM 1010 CB PHE A 72 154.378 5.635 7.437 1.00 0.00 C ATOM 1011 CG PHE A 72 154.144 4.648 6.328 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.812 5.083 5.055 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.258 3.287 6.559 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.598 4.179 4.033 1.00 0.00 C ATOM 1015 CE2 PHE A 72 154.045 2.378 5.541 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.714 2.824 4.276 1.00 0.00 C ATOM 0 H PHE A 72 156.490 5.898 5.490 1.00 0.00 H new ATOM 0 HA PHE A 72 155.796 7.115 8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 72 154.203 5.142 8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.648 6.441 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.720 6.141 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.516 2.933 7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.340 4.531 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 72 154.137 1.319 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.546 2.115 3.479 1.00 0.00 H new ATOM 1026 N THR A 73 156.533 4.750 9.202 1.00 0.00 N ATOM 1027 CA THR A 73 157.409 3.775 9.840 1.00 0.00 C ATOM 1028 C THR A 73 156.665 2.470 10.108 1.00 0.00 C ATOM 1029 O THR A 73 155.816 2.398 10.997 1.00 0.00 O ATOM 1030 CB THR A 73 157.964 4.337 11.151 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.040 5.231 11.743 1.00 0.00 O ATOM 1032 CG2 THR A 73 159.273 5.077 10.977 1.00 0.00 C ATOM 0 H THR A 73 155.731 5.029 9.767 1.00 0.00 H new ATOM 0 HA THR A 73 158.237 3.569 9.162 1.00 0.00 H new ATOM 0 HB THR A 73 158.137 3.470 11.788 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.412 5.578 12.581 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.612 5.450 11.944 1.00 0.00 H new ATOM 0 HG22 THR A 73 160.022 4.400 10.567 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.129 5.915 10.295 1.00 0.00 H new ATOM 1040 N CYS A 74 156.991 1.440 9.335 1.00 0.00 N ATOM 1041 CA CYS A 74 156.354 0.138 9.488 1.00 0.00 C ATOM 1042 C CYS A 74 157.390 -0.982 9.465 1.00 0.00 C ATOM 1043 O CYS A 74 158.591 -0.728 9.368 1.00 0.00 O ATOM 1044 CB CYS A 74 155.323 -0.083 8.379 1.00 0.00 C ATOM 1045 SG CYS A 74 153.706 0.652 8.718 1.00 0.00 S ATOM 0 H CYS A 74 157.693 1.482 8.596 1.00 0.00 H new ATOM 0 HA CYS A 74 155.849 0.121 10.454 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.711 0.332 7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.198 -1.154 8.222 1.00 0.00 H new ATOM 0 HG CYS A 74 153.459 1.580 7.841 1.00 0.00 H new ATOM 1051 N ALA A 75 156.918 -2.220 9.553 1.00 0.00 N ATOM 1052 CA ALA A 75 157.803 -3.378 9.542 1.00 0.00 C ATOM 1053 C ALA A 75 158.397 -3.602 8.156 1.00 0.00 C ATOM 1054 O ALA A 75 157.882 -3.095 7.160 1.00 0.00 O ATOM 1055 CB ALA A 75 157.053 -4.619 10.004 1.00 0.00 C ATOM 0 H ALA A 75 155.927 -2.448 9.633 1.00 0.00 H new ATOM 0 HA ALA A 75 158.624 -3.184 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.726 -5.477 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.682 -4.464 11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.213 -4.807 9.335 1.00 0.00 H new ATOM 1061 N LEU A 76 159.484 -4.366 8.100 1.00 0.00 N ATOM 1062 CA LEU A 76 160.148 -4.658 6.836 1.00 0.00 C ATOM 1063 C LEU A 76 159.378 -5.712 6.046 1.00 0.00 C ATOM 1064 O LEU A 76 158.795 -6.631 6.623 1.00 0.00 O ATOM 1065 CB LEU A 76 161.579 -5.137 7.087 1.00 0.00 C ATOM 1066 CG LEU A 76 162.627 -4.025 7.176 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.728 -4.406 8.153 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.208 -3.731 5.802 1.00 0.00 C ATOM 0 H LEU A 76 159.923 -4.793 8.916 1.00 0.00 H new ATOM 0 HA LEU A 76 160.176 -3.740 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.597 -5.708 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.863 -5.820 6.287 1.00 0.00 H new ATOM 0 HG LEU A 76 162.141 -3.121 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.464 -3.603 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.298 -4.566 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.213 -5.322 7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.951 -2.938 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.679 -4.631 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.411 -3.413 5.130 1.00 0.00 H new ATOM 1080 N LYS A 77 159.379 -5.572 4.724 1.00 0.00 N ATOM 1081 CA LYS A 77 158.681 -6.513 3.857 1.00 0.00 C ATOM 1082 C LYS A 77 157.188 -6.536 4.170 1.00 0.00 C ATOM 1083 O LYS A 77 156.545 -7.584 4.103 1.00 0.00 O ATOM 1084 CB LYS A 77 159.268 -7.917 4.011 1.00 0.00 C ATOM 1085 CG LYS A 77 160.742 -8.002 3.648 1.00 0.00 C ATOM 1086 CD LYS A 77 160.936 -8.190 2.152 1.00 0.00 C ATOM 1087 CE LYS A 77 162.179 -7.470 1.656 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.702 -8.067 0.396 1.00 0.00 N ATOM 0 H LYS A 77 159.855 -4.817 4.231 1.00 0.00 H new ATOM 0 HA LYS A 77 158.814 -6.184 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.136 -8.246 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.707 -8.608 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.251 -7.094 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.203 -8.832 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.015 -9.253 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.061 -7.815 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 77 161.947 -6.418 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.952 -7.509 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.550 -7.547 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 162.948 -9.064 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 161.974 -8.007 -0.345 1.00 0.00 H new ATOM 1102 N LYS A 78 156.643 -5.373 4.513 1.00 0.00 N ATOM 1103 CA LYS A 78 155.224 -5.259 4.837 1.00 0.00 C ATOM 1104 C LYS A 78 154.686 -3.886 4.449 1.00 0.00 C ATOM 1105 O LYS A 78 153.863 -3.308 5.158 1.00 0.00 O ATOM 1106 CB LYS A 78 155.000 -5.505 6.330 1.00 0.00 C ATOM 1107 CG LYS A 78 155.513 -6.854 6.809 1.00 0.00 C ATOM 1108 CD LYS A 78 155.303 -7.030 8.304 1.00 0.00 C ATOM 1109 CE LYS A 78 154.065 -7.862 8.598 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.334 -7.367 9.797 1.00 0.00 N ATOM 0 H LYS A 78 157.161 -4.497 4.574 1.00 0.00 H new ATOM 0 HA LYS A 78 154.684 -6.015 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.493 -4.716 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.934 -5.434 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.000 -7.651 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.574 -6.945 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.178 -7.511 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.207 -6.053 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.401 -7.842 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.355 -8.901 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.453 -7.907 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.929 -7.489 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.109 -6.359 9.675 1.00 0.00 H new ATOM 1124 N ALA A 79 155.156 -3.369 3.318 1.00 0.00 N ATOM 1125 CA ALA A 79 154.722 -2.064 2.836 1.00 0.00 C ATOM 1126 C ALA A 79 154.543 -2.070 1.322 1.00 0.00 C ATOM 1127 O ALA A 79 155.517 -1.992 0.571 1.00 0.00 O ATOM 1128 CB ALA A 79 155.720 -0.992 3.247 1.00 0.00 C ATOM 0 H ALA A 79 155.838 -3.835 2.719 1.00 0.00 H new ATOM 0 HA ALA A 79 153.756 -1.839 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.384 -0.022 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.796 -0.963 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.697 -1.222 2.821 1.00 0.00 H new ATOM 1134 N LEU A 80 153.294 -2.162 0.878 1.00 0.00 N ATOM 1135 CA LEU A 80 152.988 -2.178 -0.548 1.00 0.00 C ATOM 1136 C LEU A 80 152.143 -0.968 -0.936 1.00 0.00 C ATOM 1137 O LEU A 80 150.992 -0.842 -0.519 1.00 0.00 O ATOM 1138 CB LEU A 80 152.252 -3.467 -0.919 1.00 0.00 C ATOM 1139 CG LEU A 80 151.835 -3.574 -2.387 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.048 -3.819 -3.270 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.809 -4.683 -2.568 1.00 0.00 C ATOM 0 H LEU A 80 152.477 -2.227 1.485 1.00 0.00 H new ATOM 0 HA LEU A 80 153.929 -2.134 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.891 -4.316 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.361 -3.551 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 80 151.379 -2.630 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.732 -3.892 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.750 -2.992 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.533 -4.748 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.523 -4.746 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.240 -5.633 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.928 -4.466 -1.964 1.00 0.00 H new ATOM 1153 N PHE A 81 152.723 -0.082 -1.739 1.00 0.00 N ATOM 1154 CA PHE A 81 152.024 1.117 -2.185 1.00 0.00 C ATOM 1155 C PHE A 81 151.158 0.819 -3.405 1.00 0.00 C ATOM 1156 O PHE A 81 151.569 0.089 -4.307 1.00 0.00 O ATOM 1157 CB PHE A 81 153.027 2.224 -2.515 1.00 0.00 C ATOM 1158 CG PHE A 81 153.688 2.816 -1.303 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.690 2.126 -0.639 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.308 4.060 -0.828 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.300 2.668 0.477 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.915 4.607 0.287 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.912 3.909 0.941 1.00 0.00 C ATOM 0 H PHE A 81 153.675 -0.172 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 81 151.376 1.453 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.794 1.823 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.515 3.015 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 81 154.998 1.155 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.528 4.609 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.080 2.121 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.610 5.579 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.387 4.333 1.813 1.00 0.00 H new ATOM 1173 N VAL A 82 149.959 1.389 -3.427 1.00 0.00 N ATOM 1174 CA VAL A 82 149.035 1.184 -4.535 1.00 0.00 C ATOM 1175 C VAL A 82 148.156 2.412 -4.753 1.00 0.00 C ATOM 1176 O VAL A 82 148.101 3.306 -3.909 1.00 0.00 O ATOM 1177 CB VAL A 82 148.134 -0.041 -4.297 1.00 0.00 C ATOM 1178 CG1 VAL A 82 148.953 -1.322 -4.333 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.392 0.090 -2.976 1.00 0.00 C ATOM 0 H VAL A 82 149.604 1.997 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 82 149.642 1.012 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 82 147.396 -0.087 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.299 -2.177 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.432 -1.420 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.716 -1.288 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.760 -0.785 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.111 0.163 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.772 0.986 -2.994 1.00 0.00 H new ATOM 1189 N LYS A 83 147.471 2.448 -5.891 1.00 0.00 N ATOM 1190 CA LYS A 83 146.594 3.565 -6.221 1.00 0.00 C ATOM 1191 C LYS A 83 145.381 3.596 -5.299 1.00 0.00 C ATOM 1192 O LYS A 83 144.624 2.629 -5.217 1.00 0.00 O ATOM 1193 CB LYS A 83 146.139 3.470 -7.679 1.00 0.00 C ATOM 1194 CG LYS A 83 147.278 3.584 -8.680 1.00 0.00 C ATOM 1195 CD LYS A 83 146.839 3.163 -10.073 1.00 0.00 C ATOM 1196 CE LYS A 83 147.457 4.048 -11.143 1.00 0.00 C ATOM 1197 NZ LYS A 83 147.818 3.274 -12.363 1.00 0.00 N ATOM 0 H LYS A 83 147.506 1.716 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 83 147.156 4.488 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.627 2.520 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.412 4.258 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.639 4.612 -8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.112 2.961 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.125 2.126 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.752 3.210 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.756 4.839 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.348 4.532 -10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.236 3.913 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.506 2.535 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 146.964 2.832 -12.759 1.00 0.00 H new ATOM 1211 N LEU A 84 145.203 4.715 -4.606 1.00 0.00 N ATOM 1212 CA LEU A 84 144.082 4.880 -3.689 1.00 0.00 C ATOM 1213 C LEU A 84 142.752 4.717 -4.418 1.00 0.00 C ATOM 1214 O LEU A 84 141.808 4.136 -3.885 1.00 0.00 O ATOM 1215 CB LEU A 84 144.149 6.254 -3.018 1.00 0.00 C ATOM 1216 CG LEU A 84 142.966 6.592 -2.109 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.161 5.981 -0.730 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.791 8.100 -2.004 1.00 0.00 C ATOM 0 H LEU A 84 145.823 5.523 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 84 144.150 4.106 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.066 6.310 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.220 7.017 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 84 142.062 6.169 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.310 6.232 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.239 4.898 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.074 6.375 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.945 8.324 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.696 8.543 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.606 8.515 -2.995 1.00 0.00 H new ATOM 1230 N LYS A 85 142.688 5.234 -5.641 1.00 0.00 N ATOM 1231 CA LYS A 85 141.474 5.146 -6.444 1.00 0.00 C ATOM 1232 C LYS A 85 141.139 3.693 -6.773 1.00 0.00 C ATOM 1233 O LYS A 85 139.984 3.356 -7.028 1.00 0.00 O ATOM 1234 CB LYS A 85 141.633 5.950 -7.735 1.00 0.00 C ATOM 1235 CG LYS A 85 142.797 5.492 -8.599 1.00 0.00 C ATOM 1236 CD LYS A 85 143.178 6.548 -9.624 1.00 0.00 C ATOM 1237 CE LYS A 85 144.685 6.620 -9.814 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.077 7.728 -10.729 1.00 0.00 N ATOM 0 H LYS A 85 143.462 5.718 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 85 140.653 5.564 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.712 5.878 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.770 7.002 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.656 5.271 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.531 4.567 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.700 6.321 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 142.804 7.520 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.167 6.761 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 85 145.046 5.673 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.112 7.743 -10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.638 7.581 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.755 8.635 -10.334 1.00 0.00 H new ATOM 1252 N SER A 86 142.158 2.837 -6.765 1.00 0.00 N ATOM 1253 CA SER A 86 141.968 1.423 -7.064 1.00 0.00 C ATOM 1254 C SER A 86 141.945 0.594 -5.782 1.00 0.00 C ATOM 1255 O SER A 86 142.403 -0.548 -5.762 1.00 0.00 O ATOM 1256 CB SER A 86 143.077 0.922 -7.990 1.00 0.00 C ATOM 1257 OG SER A 86 143.061 1.613 -9.227 1.00 0.00 O ATOM 0 H SER A 86 143.121 3.099 -6.555 1.00 0.00 H new ATOM 0 HA SER A 86 141.007 1.309 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.045 1.056 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.953 -0.147 -8.165 1.00 0.00 H new ATOM 0 HG SER A 86 143.781 1.275 -9.800 1.00 0.00 H new ATOM 1263 N CYS A 87 141.410 1.178 -4.715 1.00 0.00 N ATOM 1264 CA CYS A 87 141.328 0.494 -3.430 1.00 0.00 C ATOM 1265 C CYS A 87 139.877 0.215 -3.053 1.00 0.00 C ATOM 1266 O CYS A 87 138.984 1.005 -3.360 1.00 0.00 O ATOM 1267 CB CYS A 87 141.999 1.331 -2.340 1.00 0.00 C ATOM 1268 SG CYS A 87 143.804 1.366 -2.440 1.00 0.00 S ATOM 0 H CYS A 87 141.027 2.123 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 87 141.850 -0.459 -3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.623 2.352 -2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.708 0.939 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 87 144.166 1.900 -3.569 1.00 0.00 H new ATOM 1274 N ARG A 88 139.650 -0.912 -2.386 1.00 0.00 N ATOM 1275 CA ARG A 88 138.306 -1.294 -1.967 1.00 0.00 C ATOM 1276 C ARG A 88 138.213 -1.371 -0.443 1.00 0.00 C ATOM 1277 O ARG A 88 139.151 -1.815 0.220 1.00 0.00 O ATOM 1278 CB ARG A 88 137.922 -2.641 -2.582 1.00 0.00 C ATOM 1279 CG ARG A 88 137.196 -2.517 -3.912 1.00 0.00 C ATOM 1280 CD ARG A 88 135.691 -2.650 -3.741 1.00 0.00 C ATOM 1281 NE ARG A 88 135.014 -2.887 -5.014 1.00 0.00 N ATOM 1282 CZ ARG A 88 135.048 -4.047 -5.667 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.722 -5.076 -5.171 1.00 0.00 N ATOM 1284 NH2 ARG A 88 134.404 -4.178 -6.818 1.00 0.00 N ATOM 0 H ARG A 88 140.378 -1.576 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 88 137.611 -0.531 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.824 -3.237 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.288 -3.184 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.428 -1.553 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.555 -3.286 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.475 -3.471 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.296 -1.742 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 88 134.484 -2.119 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.218 -4.981 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.744 -5.962 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.883 -3.390 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 88 134.430 -5.066 -7.319 1.00 0.00 H new ATOM 1298 N PRO A 89 137.078 -0.939 0.135 1.00 0.00 N ATOM 1299 CA PRO A 89 136.874 -0.966 1.588 1.00 0.00 C ATOM 1300 C PRO A 89 137.102 -2.352 2.179 1.00 0.00 C ATOM 1301 O PRO A 89 136.511 -3.334 1.728 1.00 0.00 O ATOM 1302 CB PRO A 89 135.410 -0.549 1.755 1.00 0.00 C ATOM 1303 CG PRO A 89 135.090 0.225 0.523 1.00 0.00 C ATOM 1304 CD PRO A 89 135.907 -0.394 -0.577 1.00 0.00 C ATOM 0 HA PRO A 89 137.577 -0.314 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.760 -1.418 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.271 0.058 2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.025 0.173 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.339 1.279 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.354 -1.175 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.198 0.343 -1.325 1.00 0.00 H new ATOM 1312 N ASP A 90 137.960 -2.426 3.190 1.00 0.00 N ATOM 1313 CA ASP A 90 138.264 -3.694 3.844 1.00 0.00 C ATOM 1314 C ASP A 90 137.542 -3.802 5.183 1.00 0.00 C ATOM 1315 O ASP A 90 137.962 -3.209 6.176 1.00 0.00 O ATOM 1316 CB ASP A 90 139.773 -3.835 4.052 1.00 0.00 C ATOM 1317 CG ASP A 90 140.201 -5.279 4.220 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.886 -6.098 3.331 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.849 -5.592 5.241 1.00 0.00 O ATOM 0 H ASP A 90 138.458 -1.623 3.575 1.00 0.00 H new ATOM 0 HA ASP A 90 137.916 -4.500 3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.296 -3.401 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.070 -3.266 4.933 1.00 0.00 H new ATOM 1324 N SER A 91 136.454 -4.564 5.202 1.00 0.00 N ATOM 1325 CA SER A 91 135.673 -4.751 6.420 1.00 0.00 C ATOM 1326 C SER A 91 136.034 -6.066 7.101 1.00 0.00 C ATOM 1327 O SER A 91 135.196 -6.689 7.753 1.00 0.00 O ATOM 1328 CB SER A 91 134.177 -4.723 6.101 1.00 0.00 C ATOM 1329 OG SER A 91 133.431 -4.222 7.197 1.00 0.00 O ATOM 0 H SER A 91 136.093 -5.062 4.389 1.00 0.00 H new ATOM 0 HA SER A 91 135.908 -3.933 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.001 -4.102 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.836 -5.728 5.854 1.00 0.00 H new ATOM 0 HG SER A 91 132.478 -4.213 6.967 1.00 0.00 H new ATOM 1335 N ARG A 92 137.285 -6.486 6.944 1.00 0.00 N ATOM 1336 CA ARG A 92 137.756 -7.728 7.544 1.00 0.00 C ATOM 1337 C ARG A 92 137.792 -7.619 9.064 1.00 0.00 C ATOM 1338 O ARG A 92 137.609 -8.610 9.772 1.00 0.00 O ATOM 1339 CB ARG A 92 139.148 -8.079 7.013 1.00 0.00 C ATOM 1340 CG ARG A 92 139.143 -8.589 5.580 1.00 0.00 C ATOM 1341 CD ARG A 92 139.469 -10.073 5.512 1.00 0.00 C ATOM 1342 NE ARG A 92 138.336 -10.902 5.917 1.00 0.00 N ATOM 1343 CZ ARG A 92 138.226 -12.197 5.630 1.00 0.00 C ATOM 1344 NH1 ARG A 92 139.176 -12.813 4.938 1.00 0.00 N ATOM 1345 NH2 ARG A 92 137.162 -12.877 6.034 1.00 0.00 N ATOM 0 H ARG A 92 137.991 -5.984 6.406 1.00 0.00 H new ATOM 0 HA ARG A 92 137.059 -8.521 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.784 -7.196 7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.593 -8.837 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.165 -8.410 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.870 -8.029 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 92 139.763 -10.333 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.323 -10.286 6.155 1.00 0.00 H new ATOM 0 HE ARG A 92 137.586 -10.463 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 92 139.996 -12.294 4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 92 139.087 -13.806 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 92 136.428 -12.408 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 92 137.077 -13.869 5.814 1.00 0.00 H new