USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 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 62 THR OG1 : rot -167:sc= 0.614 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.611 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -0.919 F(o=-6.3,f=-1.8) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.839 K(o=-1.8,f=-2.7) USER MOD Single : A 22 SER OG : rot 78:sc= 0.00474 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.527 F(o=-1.4,f=-0.53) 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 97:sc= 0.00891 USER MOD Single : A 69 THR OG1 : rot 85:sc= 0.00457 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 118:sc= 1.5 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.279 (180deg=0.278) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 147:sc= -0.399 (180deg=-1.52!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 59:sc= 0.184 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.281 5.808 1.465 1.00 0.00 N ATOM 200 CA LEU A 18 139.656 5.322 1.450 1.00 0.00 C ATOM 201 C LEU A 18 140.620 6.402 1.933 1.00 0.00 C ATOM 202 O LEU A 18 141.030 7.271 1.163 1.00 0.00 O ATOM 203 CB LEU A 18 140.044 4.868 0.041 1.00 0.00 C ATOM 204 CG LEU A 18 139.195 3.731 -0.529 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.488 3.537 -2.008 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.449 2.442 0.239 1.00 0.00 C ATOM 0 HA LEU A 18 139.722 4.472 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.977 5.723 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 141.087 4.552 0.052 1.00 0.00 H new ATOM 0 HG LEU A 18 138.144 3.997 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.875 2.724 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.258 4.455 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.542 3.292 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.837 1.643 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.502 2.172 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.190 2.586 1.288 1.00 0.00 H new ATOM 218 N GLU A 19 140.977 6.339 3.211 1.00 0.00 N ATOM 219 CA GLU A 19 141.893 7.311 3.797 1.00 0.00 C ATOM 220 C GLU A 19 142.846 6.637 4.778 1.00 0.00 C ATOM 221 O GLU A 19 142.725 5.444 5.056 1.00 0.00 O ATOM 222 CB GLU A 19 141.110 8.417 4.507 1.00 0.00 C ATOM 223 CG GLU A 19 140.122 7.896 5.539 1.00 0.00 C ATOM 224 CD GLU A 19 140.471 8.328 6.951 1.00 0.00 C ATOM 225 OE1 GLU A 19 140.593 9.548 7.186 1.00 0.00 O ATOM 226 OE2 GLU A 19 140.621 7.444 7.820 1.00 0.00 O ATOM 0 H GLU A 19 140.646 5.626 3.861 1.00 0.00 H new ATOM 0 HA GLU A 19 142.481 7.751 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.813 9.091 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.571 9.004 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.122 8.252 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.094 6.807 5.493 1.00 0.00 H new ATOM 233 N VAL A 20 143.793 7.409 5.300 1.00 0.00 N ATOM 234 CA VAL A 20 144.767 6.887 6.251 1.00 0.00 C ATOM 235 C VAL A 20 144.077 6.297 7.478 1.00 0.00 C ATOM 236 O VAL A 20 143.175 6.909 8.049 1.00 0.00 O ATOM 237 CB VAL A 20 145.752 7.981 6.705 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.849 7.389 7.575 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.345 8.696 5.500 1.00 0.00 C ATOM 0 H VAL A 20 143.907 8.399 5.080 1.00 0.00 H new ATOM 0 HA VAL A 20 145.321 6.102 5.737 1.00 0.00 H new ATOM 0 HB VAL A 20 145.205 8.711 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.534 8.179 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.405 6.927 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.396 6.636 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.039 9.466 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.877 7.978 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.545 9.158 4.921 1.00 0.00 H new ATOM 249 N GLY A 21 144.509 5.104 7.877 1.00 0.00 N ATOM 250 CA GLY A 21 143.922 4.453 9.033 1.00 0.00 C ATOM 251 C GLY A 21 142.847 3.454 8.652 1.00 0.00 C ATOM 252 O GLY A 21 142.616 2.479 9.367 1.00 0.00 O ATOM 0 H GLY A 21 145.254 4.578 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.704 3.943 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.495 5.208 9.693 1.00 0.00 H new ATOM 256 N SER A 22 142.190 3.695 7.523 1.00 0.00 N ATOM 257 CA SER A 22 141.135 2.808 7.047 1.00 0.00 C ATOM 258 C SER A 22 141.722 1.621 6.290 1.00 0.00 C ATOM 259 O SER A 22 142.824 1.701 5.748 1.00 0.00 O ATOM 260 CB SER A 22 140.164 3.572 6.146 1.00 0.00 C ATOM 261 OG SER A 22 139.411 4.514 6.891 1.00 0.00 O ATOM 0 H SER A 22 142.370 4.498 6.920 1.00 0.00 H new ATOM 0 HA SER A 22 140.594 2.431 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.719 4.085 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.490 2.870 5.654 1.00 0.00 H new ATOM 0 HG SER A 22 139.963 5.303 7.074 1.00 0.00 H new ATOM 267 N LEU A 23 140.979 0.519 6.258 1.00 0.00 N ATOM 268 CA LEU A 23 141.426 -0.685 5.568 1.00 0.00 C ATOM 269 C LEU A 23 140.955 -0.688 4.116 1.00 0.00 C ATOM 270 O LEU A 23 139.917 -0.113 3.790 1.00 0.00 O ATOM 271 CB LEU A 23 140.909 -1.932 6.287 1.00 0.00 C ATOM 272 CG LEU A 23 141.123 -1.943 7.801 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.024 -2.738 8.489 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.490 -2.518 8.139 1.00 0.00 C ATOM 0 H LEU A 23 140.065 0.435 6.702 1.00 0.00 H new ATOM 0 HA LEU A 23 142.516 -0.695 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 23 139.842 -2.033 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.398 -2.808 5.860 1.00 0.00 H new ATOM 0 HG LEU A 23 141.081 -0.916 8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.193 -2.735 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.057 -2.285 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.034 -3.765 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 23 142.627 -2.519 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.558 -3.539 7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.266 -1.909 7.676 1.00 0.00 H new ATOM 286 N ALA A 24 141.724 -1.339 3.251 1.00 0.00 N ATOM 287 CA ALA A 24 141.385 -1.418 1.835 1.00 0.00 C ATOM 288 C ALA A 24 142.041 -2.628 1.179 1.00 0.00 C ATOM 289 O ALA A 24 143.016 -3.174 1.693 1.00 0.00 O ATOM 290 CB ALA A 24 141.802 -0.139 1.123 1.00 0.00 C ATOM 0 H ALA A 24 142.587 -1.820 3.505 1.00 0.00 H new ATOM 0 HA ALA A 24 140.305 -1.534 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.544 -0.210 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.283 0.710 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 24 142.878 -0.000 1.225 1.00 0.00 H new ATOM 296 N GLU A 25 141.498 -3.042 0.039 1.00 0.00 N ATOM 297 CA GLU A 25 142.029 -4.188 -0.691 1.00 0.00 C ATOM 298 C GLU A 25 142.552 -3.765 -2.060 1.00 0.00 C ATOM 299 O GLU A 25 142.262 -2.666 -2.533 1.00 0.00 O ATOM 300 CB GLU A 25 140.950 -5.261 -0.853 1.00 0.00 C ATOM 301 CG GLU A 25 141.492 -6.603 -1.318 1.00 0.00 C ATOM 302 CD GLU A 25 140.474 -7.720 -1.184 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.261 -7.428 -1.239 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.891 -8.886 -1.025 1.00 0.00 O ATOM 0 H GLU A 25 140.690 -2.601 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 25 142.858 -4.601 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.437 -5.396 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.206 -4.911 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 25 141.804 -6.524 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.380 -6.853 -0.737 1.00 0.00 H new ATOM 311 N VAL A 26 143.325 -4.643 -2.692 1.00 0.00 N ATOM 312 CA VAL A 26 143.887 -4.358 -4.006 1.00 0.00 C ATOM 313 C VAL A 26 143.611 -5.497 -4.981 1.00 0.00 C ATOM 314 O VAL A 26 143.746 -6.670 -4.634 1.00 0.00 O ATOM 315 CB VAL A 26 145.407 -4.122 -3.927 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.941 -3.628 -5.263 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.737 -3.136 -2.817 1.00 0.00 C ATOM 0 H VAL A 26 143.576 -5.557 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 26 143.404 -3.450 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 26 145.892 -5.071 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 26 147.016 -3.467 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.739 -4.372 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.451 -2.691 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.815 -2.982 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.242 -2.186 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.391 -3.533 -1.863 1.00 0.00 H new ATOM 327 N LYS A 27 143.225 -5.144 -6.202 1.00 0.00 N ATOM 328 CA LYS A 27 142.931 -6.138 -7.228 1.00 0.00 C ATOM 329 C LYS A 27 144.213 -6.784 -7.743 1.00 0.00 C ATOM 330 O LYS A 27 144.796 -6.331 -8.729 1.00 0.00 O ATOM 331 CB LYS A 27 142.165 -5.494 -8.386 1.00 0.00 C ATOM 332 CG LYS A 27 140.656 -5.617 -8.258 1.00 0.00 C ATOM 333 CD LYS A 27 139.937 -4.761 -9.289 1.00 0.00 C ATOM 334 CE LYS A 27 138.651 -4.173 -8.729 1.00 0.00 C ATOM 335 NZ LYS A 27 137.511 -4.327 -9.674 1.00 0.00 N ATOM 0 H LYS A 27 143.108 -4.177 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 27 142.311 -6.915 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 27 142.432 -4.439 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.481 -5.956 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.363 -6.660 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.349 -5.316 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 140.594 -3.955 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.710 -5.364 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.409 -4.663 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.801 -3.116 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.654 -3.913 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.731 -3.838 -10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.351 -5.337 -9.863 1.00 0.00 H new ATOM 349 N GLU A 28 144.647 -7.844 -7.069 1.00 0.00 N ATOM 350 CA GLU A 28 145.860 -8.555 -7.456 1.00 0.00 C ATOM 351 C GLU A 28 145.671 -10.063 -7.313 1.00 0.00 C ATOM 352 O GLU A 28 144.752 -10.520 -6.634 1.00 0.00 O ATOM 353 CB GLU A 28 147.042 -8.086 -6.602 1.00 0.00 C ATOM 354 CG GLU A 28 148.215 -7.571 -7.419 1.00 0.00 C ATOM 355 CD GLU A 28 149.010 -8.687 -8.068 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.929 -9.220 -7.412 1.00 0.00 O ATOM 357 OE2 GLU A 28 148.712 -9.029 -9.231 1.00 0.00 O ATOM 0 H GLU A 28 144.176 -8.230 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 28 146.070 -8.333 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.704 -7.297 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.380 -8.913 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.846 -6.896 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.873 -6.988 -6.775 1.00 0.00 H new ATOM 364 N ASN A 29 146.545 -10.831 -7.956 1.00 0.00 N ATOM 365 CA ASN A 29 146.468 -12.286 -7.898 1.00 0.00 C ATOM 366 C ASN A 29 146.578 -12.786 -6.458 1.00 0.00 C ATOM 367 O ASN A 29 145.726 -13.544 -5.994 1.00 0.00 O ATOM 368 CB ASN A 29 147.560 -12.922 -8.764 1.00 0.00 C ATOM 369 CG ASN A 29 147.714 -12.234 -10.106 1.00 0.00 C ATOM 370 OD1 ASN A 29 148.768 -11.437 -10.245 1.00 0.00 O flip ATOM 371 ND2 ASN A 29 146.896 -12.416 -11.008 1.00 0.00 N flip ATOM 0 H ASN A 29 147.313 -10.471 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 29 145.495 -12.583 -8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.509 -12.885 -8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.325 -13.974 -8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.101 -13.037 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.014 -11.946 -11.906 1.00 0.00 H new ATOM 378 N PRO A 30 147.627 -12.366 -5.721 1.00 0.00 N ATOM 379 CA PRO A 30 147.823 -12.783 -4.329 1.00 0.00 C ATOM 380 C PRO A 30 146.865 -12.075 -3.372 1.00 0.00 C ATOM 381 O PRO A 30 146.976 -10.868 -3.155 1.00 0.00 O ATOM 382 CB PRO A 30 149.265 -12.367 -4.042 1.00 0.00 C ATOM 383 CG PRO A 30 149.496 -11.195 -4.930 1.00 0.00 C ATOM 384 CD PRO A 30 148.698 -11.457 -6.179 1.00 0.00 C ATOM 0 HA PRO A 30 147.632 -13.847 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.401 -12.104 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.963 -13.175 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.175 -10.271 -4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.555 -11.083 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.291 -10.536 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.309 -11.916 -6.956 1.00 0.00 H new ATOM 392 N PRO A 31 145.906 -12.813 -2.784 1.00 0.00 N ATOM 393 CA PRO A 31 144.930 -12.241 -1.850 1.00 0.00 C ATOM 394 C PRO A 31 145.590 -11.713 -0.581 1.00 0.00 C ATOM 395 O PRO A 31 145.765 -12.448 0.391 1.00 0.00 O ATOM 396 CB PRO A 31 144.001 -13.417 -1.519 1.00 0.00 C ATOM 397 CG PRO A 31 144.257 -14.435 -2.578 1.00 0.00 C ATOM 398 CD PRO A 31 145.692 -14.255 -2.980 1.00 0.00 C ATOM 0 HA PRO A 31 144.410 -11.387 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 144.214 -13.819 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.957 -13.105 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.080 -15.443 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.591 -14.290 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.363 -14.851 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.863 -14.552 -4.015 1.00 0.00 H new ATOM 406 N PHE A 32 145.952 -10.435 -0.595 1.00 0.00 N ATOM 407 CA PHE A 32 146.592 -9.808 0.557 1.00 0.00 C ATOM 408 C PHE A 32 145.757 -8.643 1.076 1.00 0.00 C ATOM 409 O PHE A 32 145.181 -7.883 0.297 1.00 0.00 O ATOM 410 CB PHE A 32 147.994 -9.321 0.186 1.00 0.00 C ATOM 411 CG PHE A 32 148.015 -8.391 -0.994 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.527 -7.099 -0.882 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.523 -8.809 -2.213 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.545 -6.241 -1.966 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.543 -7.956 -3.300 1.00 0.00 C ATOM 416 CZ PHE A 32 148.055 -6.671 -3.176 1.00 0.00 C ATOM 0 H PHE A 32 145.813 -9.812 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 32 146.672 -10.554 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.433 -8.814 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.624 -10.184 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.128 -6.759 0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 32 148.908 -9.813 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.161 -5.236 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.940 -8.295 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.072 -6.002 -4.024 1.00 0.00 H new ATOM 426 N TYR A 33 145.693 -8.510 2.396 1.00 0.00 N ATOM 427 CA TYR A 33 144.927 -7.438 3.020 1.00 0.00 C ATOM 428 C TYR A 33 145.848 -6.469 3.756 1.00 0.00 C ATOM 429 O TYR A 33 146.851 -6.875 4.343 1.00 0.00 O ATOM 430 CB TYR A 33 143.897 -8.017 3.993 1.00 0.00 C ATOM 431 CG TYR A 33 142.585 -8.384 3.336 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.841 -7.434 2.647 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.091 -9.681 3.404 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.642 -7.766 2.047 1.00 0.00 C ATOM 435 CE2 TYR A 33 140.893 -10.021 2.806 1.00 0.00 C ATOM 436 CZ TYR A 33 140.173 -9.060 2.128 1.00 0.00 C ATOM 437 OH TYR A 33 138.979 -9.394 1.531 1.00 0.00 O ATOM 0 H TYR A 33 146.162 -9.131 3.055 1.00 0.00 H new ATOM 0 HA TYR A 33 144.407 -6.892 2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.317 -8.904 4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.708 -7.291 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.206 -6.420 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.653 -10.436 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.075 -7.015 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.522 -11.033 2.869 1.00 0.00 H new ATOM 0 HH TYR A 33 138.793 -10.345 1.681 1.00 0.00 H new ATOM 447 N GLY A 34 145.499 -5.187 3.720 1.00 0.00 N ATOM 448 CA GLY A 34 146.305 -4.181 4.387 1.00 0.00 C ATOM 449 C GLY A 34 145.514 -2.932 4.719 1.00 0.00 C ATOM 450 O GLY A 34 144.341 -2.817 4.363 1.00 0.00 O ATOM 0 H GLY A 34 144.673 -4.827 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.718 -4.600 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.149 -3.915 3.750 1.00 0.00 H new ATOM 454 N VAL A 35 146.158 -1.992 5.406 1.00 0.00 N ATOM 455 CA VAL A 35 145.509 -0.744 5.787 1.00 0.00 C ATOM 456 C VAL A 35 146.233 0.457 5.185 1.00 0.00 C ATOM 457 O VAL A 35 147.455 0.447 5.037 1.00 0.00 O ATOM 458 CB VAL A 35 145.454 -0.586 7.320 1.00 0.00 C ATOM 459 CG1 VAL A 35 146.856 -0.544 7.909 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.668 0.660 7.704 1.00 0.00 C ATOM 0 H VAL A 35 147.129 -2.072 5.709 1.00 0.00 H new ATOM 0 HA VAL A 35 144.492 -0.782 5.398 1.00 0.00 H new ATOM 0 HB VAL A 35 144.940 -1.453 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 35 146.793 -0.432 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.379 -1.470 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.402 0.300 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.641 0.753 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.149 1.540 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.650 0.581 7.321 1.00 0.00 H new ATOM 470 N ILE A 36 145.471 1.489 4.839 1.00 0.00 N ATOM 471 CA ILE A 36 146.040 2.697 4.254 1.00 0.00 C ATOM 472 C ILE A 36 146.923 3.427 5.259 1.00 0.00 C ATOM 473 O ILE A 36 146.554 3.588 6.423 1.00 0.00 O ATOM 474 CB ILE A 36 144.940 3.656 3.758 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.946 2.911 2.864 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.556 4.830 3.011 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.842 3.792 2.320 1.00 0.00 C ATOM 0 H ILE A 36 144.458 1.513 4.954 1.00 0.00 H new ATOM 0 HA ILE A 36 146.644 2.383 3.403 1.00 0.00 H new ATOM 0 HB ILE A 36 144.402 4.044 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.486 2.462 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.501 2.094 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.766 5.498 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.226 5.374 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.118 4.461 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.176 3.197 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.277 4.220 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.277 4.594 1.724 1.00 0.00 H new ATOM 489 N ARG A 37 148.092 3.867 4.803 1.00 0.00 N ATOM 490 CA ARG A 37 149.029 4.580 5.663 1.00 0.00 C ATOM 491 C ARG A 37 149.269 5.996 5.154 1.00 0.00 C ATOM 492 O ARG A 37 148.892 6.972 5.803 1.00 0.00 O ATOM 493 CB ARG A 37 150.356 3.822 5.743 1.00 0.00 C ATOM 494 CG ARG A 37 150.197 2.352 6.097 1.00 0.00 C ATOM 495 CD ARG A 37 150.021 2.156 7.594 1.00 0.00 C ATOM 496 NE ARG A 37 148.758 2.713 8.076 1.00 0.00 N ATOM 497 CZ ARG A 37 148.512 3.000 9.352 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.439 2.784 10.277 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.338 3.504 9.704 1.00 0.00 N ATOM 0 H ARG A 37 148.412 3.742 3.843 1.00 0.00 H new ATOM 0 HA ARG A 37 148.592 4.643 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.869 3.903 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 37 150.993 4.299 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.335 1.941 5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.072 1.798 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.060 1.092 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 37 150.850 2.628 8.121 1.00 0.00 H new ATOM 0 HE ARG A 37 148.021 2.892 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.344 2.397 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.246 3.005 11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 37 146.622 3.672 8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.150 3.724 10.682 1.00 0.00 H new ATOM 513 N TRP A 38 149.898 6.105 3.988 1.00 0.00 N ATOM 514 CA TRP A 38 150.187 7.404 3.394 1.00 0.00 C ATOM 515 C TRP A 38 149.545 7.532 2.015 1.00 0.00 C ATOM 516 O TRP A 38 149.685 6.650 1.169 1.00 0.00 O ATOM 517 CB TRP A 38 151.700 7.620 3.290 1.00 0.00 C ATOM 518 CG TRP A 38 152.081 8.807 2.453 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.290 10.084 2.887 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.288 8.824 1.036 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.615 10.894 1.826 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.621 10.144 0.679 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.226 7.851 0.035 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.890 10.514 -0.637 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.494 8.218 -1.270 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.823 9.540 -1.596 1.00 0.00 C ATOM 0 H TRP A 38 150.217 5.309 3.436 1.00 0.00 H new ATOM 0 HA TRP A 38 149.763 8.171 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.110 7.746 4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.158 6.726 2.868 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.211 10.410 3.914 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.819 11.892 1.883 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.973 6.829 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.142 11.533 -0.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.449 7.474 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 38 153.028 9.796 -2.625 1.00 0.00 H new ATOM 537 N ILE A 39 148.851 8.643 1.797 1.00 0.00 N ATOM 538 CA ILE A 39 148.196 8.901 0.522 1.00 0.00 C ATOM 539 C ILE A 39 148.696 10.208 -0.082 1.00 0.00 C ATOM 540 O ILE A 39 148.342 11.292 0.385 1.00 0.00 O ATOM 541 CB ILE A 39 146.665 8.969 0.676 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.155 7.763 1.468 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.997 9.034 -0.689 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.700 7.873 1.867 1.00 0.00 C ATOM 0 H ILE A 39 148.728 9.381 2.490 1.00 0.00 H new ATOM 0 HA ILE A 39 148.443 8.072 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 39 146.411 9.875 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.292 6.862 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.762 7.645 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.915 9.082 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.340 9.922 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.256 8.145 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.407 6.983 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.560 8.755 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.083 7.960 0.973 1.00 0.00 H new ATOM 556 N GLY A 40 149.524 10.102 -1.116 1.00 0.00 N ATOM 557 CA GLY A 40 150.062 11.288 -1.754 1.00 0.00 C ATOM 558 C GLY A 40 150.687 10.994 -3.103 1.00 0.00 C ATOM 559 O GLY A 40 150.507 9.911 -3.657 1.00 0.00 O ATOM 0 H GLY A 40 149.831 9.218 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.265 12.021 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.810 11.739 -1.102 1.00 0.00 H new ATOM 563 N GLN A 41 151.419 11.969 -3.631 1.00 0.00 N ATOM 564 CA GLN A 41 152.074 11.822 -4.923 1.00 0.00 C ATOM 565 C GLN A 41 153.553 12.199 -4.826 1.00 0.00 C ATOM 566 O GLN A 41 153.888 13.351 -4.553 1.00 0.00 O ATOM 567 CB GLN A 41 151.378 12.701 -5.960 1.00 0.00 C ATOM 568 CG GLN A 41 149.865 12.552 -5.965 1.00 0.00 C ATOM 569 CD GLN A 41 149.150 13.875 -6.144 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.605 14.096 -7.334 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 149.087 14.690 -5.223 1.00 0.00 N flip ATOM 0 H GLN A 41 151.573 12.872 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 41 152.005 10.779 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.632 13.744 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.763 12.455 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.573 11.874 -6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.546 12.094 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 41 149.521 14.478 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 41 148.601 15.577 -5.359 1.00 0.00 H new ATOM 580 N PRO A 42 154.461 11.230 -5.046 1.00 0.00 N ATOM 581 CA PRO A 42 155.905 11.476 -4.976 1.00 0.00 C ATOM 582 C PRO A 42 156.352 12.574 -5.936 1.00 0.00 C ATOM 583 O PRO A 42 155.656 12.888 -6.902 1.00 0.00 O ATOM 584 CB PRO A 42 156.522 10.133 -5.379 1.00 0.00 C ATOM 585 CG PRO A 42 155.458 9.127 -5.104 1.00 0.00 C ATOM 586 CD PRO A 42 154.157 9.826 -5.377 1.00 0.00 C ATOM 0 HA PRO A 42 156.209 11.818 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.808 10.129 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.423 9.923 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.573 8.251 -5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.506 8.778 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.849 9.714 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.349 9.431 -4.760 1.00 0.00 H new ATOM 594 N PRO A 43 157.525 13.177 -5.681 1.00 0.00 N ATOM 595 CA PRO A 43 158.062 14.246 -6.528 1.00 0.00 C ATOM 596 C PRO A 43 158.558 13.725 -7.871 1.00 0.00 C ATOM 597 O PRO A 43 159.736 13.402 -8.026 1.00 0.00 O ATOM 598 CB PRO A 43 159.228 14.795 -5.708 1.00 0.00 C ATOM 599 CG PRO A 43 159.660 13.656 -4.852 1.00 0.00 C ATOM 600 CD PRO A 43 158.418 12.864 -4.549 1.00 0.00 C ATOM 0 HA PRO A 43 157.305 14.992 -6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 43 160.039 15.136 -6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.920 15.649 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.398 13.041 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 43 160.127 14.014 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.628 11.796 -4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.977 13.158 -3.597 1.00 0.00 H new ATOM 608 N GLY A 44 157.654 13.647 -8.841 1.00 0.00 N ATOM 609 CA GLY A 44 158.024 13.165 -10.157 1.00 0.00 C ATOM 610 C GLY A 44 156.836 12.647 -10.941 1.00 0.00 C ATOM 611 O GLY A 44 156.629 13.029 -12.093 1.00 0.00 O ATOM 0 H GLY A 44 156.673 13.909 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 44 158.500 13.971 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.762 12.370 -10.055 1.00 0.00 H new ATOM 615 N LEU A 45 156.053 11.772 -10.319 1.00 0.00 N ATOM 616 CA LEU A 45 154.879 11.202 -10.969 1.00 0.00 C ATOM 617 C LEU A 45 153.616 11.510 -10.175 1.00 0.00 C ATOM 618 O LEU A 45 153.442 11.024 -9.058 1.00 0.00 O ATOM 619 CB LEU A 45 155.041 9.689 -11.125 1.00 0.00 C ATOM 620 CG LEU A 45 155.515 8.954 -9.869 1.00 0.00 C ATOM 621 CD1 LEU A 45 155.162 7.475 -9.947 1.00 0.00 C ATOM 622 CD2 LEU A 45 157.014 9.142 -9.678 1.00 0.00 C ATOM 0 H LEU A 45 156.210 11.442 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 45 154.785 11.654 -11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 45 154.085 9.267 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.751 9.496 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 45 155.003 9.379 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 155.508 6.970 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 45 154.081 7.363 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 45 155.644 7.031 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 157.336 8.613 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 45 157.544 8.744 -10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 45 157.237 10.204 -9.573 1.00 0.00 H new ATOM 634 N ASN A 46 152.733 12.316 -10.757 1.00 0.00 N ATOM 635 CA ASN A 46 151.489 12.675 -10.091 1.00 0.00 C ATOM 636 C ASN A 46 150.524 11.495 -10.090 1.00 0.00 C ATOM 637 O ASN A 46 149.963 11.136 -11.126 1.00 0.00 O ATOM 638 CB ASN A 46 150.846 13.877 -10.787 1.00 0.00 C ATOM 639 CG ASN A 46 149.797 14.553 -9.926 1.00 0.00 C ATOM 640 OD1 ASN A 46 150.121 15.335 -9.032 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.530 14.254 -10.192 1.00 0.00 N ATOM 0 H ASN A 46 152.856 12.729 -11.681 1.00 0.00 H new ATOM 0 HA ASN A 46 151.714 12.942 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.620 14.600 -11.046 1.00 0.00 H new ATOM 0 HB3 ASN A 46 150.389 13.550 -11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.780 14.678 -9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 46 148.307 13.600 -10.943 1.00 0.00 H new ATOM 648 N GLU A 47 150.338 10.894 -8.921 1.00 0.00 N ATOM 649 CA GLU A 47 149.443 9.754 -8.778 1.00 0.00 C ATOM 650 C GLU A 47 149.162 9.466 -7.308 1.00 0.00 C ATOM 651 O GLU A 47 150.081 9.199 -6.533 1.00 0.00 O ATOM 652 CB GLU A 47 150.045 8.515 -9.446 1.00 0.00 C ATOM 653 CG GLU A 47 151.547 8.381 -9.246 1.00 0.00 C ATOM 654 CD GLU A 47 152.173 7.370 -10.187 1.00 0.00 C ATOM 655 OE1 GLU A 47 152.450 7.733 -11.350 1.00 0.00 O ATOM 656 OE2 GLU A 47 152.385 6.215 -9.762 1.00 0.00 O ATOM 0 H GLU A 47 150.797 11.179 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 47 148.502 10.000 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 47 149.554 7.626 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.831 8.549 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 47 152.018 9.352 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.748 8.086 -8.216 1.00 0.00 H new ATOM 663 N VAL A 48 147.890 9.511 -6.928 1.00 0.00 N ATOM 664 CA VAL A 48 147.501 9.244 -5.550 1.00 0.00 C ATOM 665 C VAL A 48 147.787 7.793 -5.183 1.00 0.00 C ATOM 666 O VAL A 48 147.023 6.893 -5.532 1.00 0.00 O ATOM 667 CB VAL A 48 146.007 9.539 -5.318 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.668 9.451 -3.838 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.641 10.906 -5.876 1.00 0.00 C ATOM 0 H VAL A 48 147.114 9.729 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 48 148.091 9.905 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 48 145.420 8.787 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.608 9.663 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.891 8.448 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.262 10.179 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.582 11.098 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 48 146.235 11.673 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.844 10.928 -6.947 1.00 0.00 H new ATOM 679 N LEU A 49 148.894 7.572 -4.483 1.00 0.00 N ATOM 680 CA LEU A 49 149.282 6.227 -4.076 1.00 0.00 C ATOM 681 C LEU A 49 149.109 6.044 -2.574 1.00 0.00 C ATOM 682 O LEU A 49 149.761 6.719 -1.778 1.00 0.00 O ATOM 683 CB LEU A 49 150.735 5.952 -4.470 1.00 0.00 C ATOM 684 CG LEU A 49 151.015 5.988 -5.973 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.444 6.438 -6.238 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.760 4.623 -6.594 1.00 0.00 C ATOM 0 H LEU A 49 149.537 8.306 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 49 148.633 5.517 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.374 6.686 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 49 151.021 4.973 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 49 150.338 6.707 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.626 6.458 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.593 7.436 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 49 153.138 5.743 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.964 4.666 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.413 3.884 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.720 4.339 -6.434 1.00 0.00 H new ATOM 698 N ALA A 50 148.226 5.129 -2.194 1.00 0.00 N ATOM 699 CA ALA A 50 147.969 4.861 -0.786 1.00 0.00 C ATOM 700 C ALA A 50 148.858 3.732 -0.273 1.00 0.00 C ATOM 701 O ALA A 50 148.738 2.588 -0.710 1.00 0.00 O ATOM 702 CB ALA A 50 146.502 4.520 -0.573 1.00 0.00 C ATOM 0 H ALA A 50 147.677 4.562 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 50 148.206 5.762 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.324 4.322 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.883 5.358 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.246 3.635 -1.156 1.00 0.00 H new ATOM 708 N GLY A 51 149.748 4.062 0.655 1.00 0.00 N ATOM 709 CA GLY A 51 150.644 3.065 1.212 1.00 0.00 C ATOM 710 C GLY A 51 149.919 2.054 2.078 1.00 0.00 C ATOM 711 O GLY A 51 149.415 2.391 3.149 1.00 0.00 O ATOM 0 H GLY A 51 149.866 5.002 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.154 2.545 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.412 3.562 1.804 1.00 0.00 H new ATOM 715 N LEU A 52 149.865 0.809 1.614 1.00 0.00 N ATOM 716 CA LEU A 52 149.195 -0.253 2.354 1.00 0.00 C ATOM 717 C LEU A 52 150.209 -1.163 3.039 1.00 0.00 C ATOM 718 O LEU A 52 151.303 -1.390 2.523 1.00 0.00 O ATOM 719 CB LEU A 52 148.306 -1.073 1.417 1.00 0.00 C ATOM 720 CG LEU A 52 147.107 -0.322 0.839 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.618 -0.994 -0.434 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.986 -0.238 1.865 1.00 0.00 C ATOM 0 H LEU A 52 150.277 0.512 0.730 1.00 0.00 H new ATOM 0 HA LEU A 52 148.574 0.209 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.916 -1.441 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.942 -1.946 1.959 1.00 0.00 H new ATOM 0 HG LEU A 52 147.423 0.691 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.764 -0.445 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.420 -1.001 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.319 -2.019 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.140 0.300 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.672 -1.244 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.341 0.290 2.750 1.00 0.00 H new ATOM 734 N GLU A 53 149.838 -1.681 4.206 1.00 0.00 N ATOM 735 CA GLU A 53 150.714 -2.566 4.963 1.00 0.00 C ATOM 736 C GLU A 53 150.143 -3.980 5.022 1.00 0.00 C ATOM 737 O GLU A 53 149.157 -4.233 5.713 1.00 0.00 O ATOM 738 CB GLU A 53 150.916 -2.028 6.381 1.00 0.00 C ATOM 739 CG GLU A 53 151.852 -2.875 7.226 1.00 0.00 C ATOM 740 CD GLU A 53 151.363 -3.037 8.653 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.301 -2.022 9.377 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.042 -4.179 9.044 1.00 0.00 O ATOM 0 H GLU A 53 148.936 -1.502 4.647 1.00 0.00 H new ATOM 0 HA GLU A 53 151.677 -2.603 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.311 -1.014 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 53 149.948 -1.965 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 53 151.959 -3.859 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.842 -2.418 7.234 1.00 0.00 H new ATOM 749 N LEU A 54 150.769 -4.896 4.290 1.00 0.00 N ATOM 750 CA LEU A 54 150.323 -6.284 4.257 1.00 0.00 C ATOM 751 C LEU A 54 150.508 -6.947 5.619 1.00 0.00 C ATOM 752 O LEU A 54 151.536 -6.770 6.272 1.00 0.00 O ATOM 753 CB LEU A 54 151.092 -7.064 3.189 1.00 0.00 C ATOM 754 CG LEU A 54 151.112 -6.416 1.804 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.283 -6.938 0.987 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.799 -6.672 1.079 1.00 0.00 C ATOM 0 H LEU A 54 151.587 -4.702 3.712 1.00 0.00 H new ATOM 0 HA LEU A 54 149.262 -6.293 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.120 -7.196 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.655 -8.059 3.102 1.00 0.00 H new ATOM 0 HG LEU A 54 151.234 -5.340 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.281 -6.466 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.217 -6.705 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.193 -8.018 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.830 -6.204 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.649 -7.746 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 148.976 -6.250 1.656 1.00 0.00 H new ATOM 768 N GLU A 55 149.506 -7.711 6.039 1.00 0.00 N ATOM 769 CA GLU A 55 149.557 -8.401 7.323 1.00 0.00 C ATOM 770 C GLU A 55 150.544 -9.563 7.278 1.00 0.00 C ATOM 771 O GLU A 55 151.175 -9.894 8.280 1.00 0.00 O ATOM 772 CB GLU A 55 148.167 -8.912 7.708 1.00 0.00 C ATOM 773 CG GLU A 55 147.280 -7.850 8.338 1.00 0.00 C ATOM 774 CD GLU A 55 147.327 -7.878 9.853 1.00 0.00 C ATOM 775 OE1 GLU A 55 148.442 -7.847 10.414 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.247 -7.930 10.479 1.00 0.00 O ATOM 0 H GLU A 55 148.649 -7.868 5.509 1.00 0.00 H new ATOM 0 HA GLU A 55 149.896 -7.689 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 147.674 -9.304 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.275 -9.743 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.591 -6.866 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.252 -7.997 8.007 1.00 0.00 H new ATOM 783 N ASP A 56 150.671 -10.178 6.107 1.00 0.00 N ATOM 784 CA ASP A 56 151.582 -11.303 5.929 1.00 0.00 C ATOM 785 C ASP A 56 152.945 -10.828 5.438 1.00 0.00 C ATOM 786 O ASP A 56 153.040 -10.080 4.466 1.00 0.00 O ATOM 787 CB ASP A 56 150.994 -12.311 4.939 1.00 0.00 C ATOM 788 CG ASP A 56 151.316 -13.745 5.313 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.373 -14.044 6.525 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.513 -14.568 4.395 1.00 0.00 O ATOM 0 H ASP A 56 150.155 -9.916 5.267 1.00 0.00 H new ATOM 0 HA ASP A 56 151.713 -11.788 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 56 149.912 -12.184 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 56 151.380 -12.103 3.941 1.00 0.00 H new ATOM 795 N GLU A 57 154.000 -11.268 6.118 1.00 0.00 N ATOM 796 CA GLU A 57 155.359 -10.889 5.751 1.00 0.00 C ATOM 797 C GLU A 57 155.757 -11.512 4.417 1.00 0.00 C ATOM 798 O GLU A 57 156.062 -12.703 4.343 1.00 0.00 O ATOM 799 CB GLU A 57 156.343 -11.318 6.842 1.00 0.00 C ATOM 800 CG GLU A 57 156.235 -10.496 8.115 1.00 0.00 C ATOM 801 CD GLU A 57 156.350 -11.343 9.367 1.00 0.00 C ATOM 802 OE1 GLU A 57 155.340 -11.968 9.755 1.00 0.00 O ATOM 803 OE2 GLU A 57 157.448 -11.381 9.961 1.00 0.00 O ATOM 0 H GLU A 57 153.939 -11.887 6.926 1.00 0.00 H new ATOM 0 HA GLU A 57 155.391 -9.804 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.172 -12.368 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.359 -11.241 6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.018 -9.737 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.281 -9.969 8.123 1.00 0.00 H new ATOM 810 N CYS A 58 155.754 -10.699 3.366 1.00 0.00 N ATOM 811 CA CYS A 58 156.115 -11.172 2.034 1.00 0.00 C ATOM 812 C CYS A 58 157.485 -10.640 1.622 1.00 0.00 C ATOM 813 O CYS A 58 157.775 -9.454 1.782 1.00 0.00 O ATOM 814 CB CYS A 58 155.060 -10.741 1.013 1.00 0.00 C ATOM 815 SG CYS A 58 153.723 -11.936 0.785 1.00 0.00 S ATOM 0 H CYS A 58 155.506 -9.711 3.410 1.00 0.00 H new ATOM 0 HA CYS A 58 156.160 -12.261 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.632 -9.789 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.547 -10.569 0.053 1.00 0.00 H new ATOM 0 HG CYS A 58 152.880 -11.482 -0.095 1.00 0.00 H new ATOM 821 N ALA A 59 158.322 -11.525 1.092 1.00 0.00 N ATOM 822 CA ALA A 59 159.660 -11.145 0.658 1.00 0.00 C ATOM 823 C ALA A 59 159.602 -10.239 -0.568 1.00 0.00 C ATOM 824 O ALA A 59 158.858 -10.503 -1.512 1.00 0.00 O ATOM 825 CB ALA A 59 160.490 -12.385 0.361 1.00 0.00 C ATOM 0 H ALA A 59 158.097 -12.510 0.953 1.00 0.00 H new ATOM 0 HA ALA A 59 160.134 -10.589 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.487 -12.086 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.568 -12.995 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.011 -12.963 -0.429 1.00 0.00 H new ATOM 831 N GLY A 60 160.393 -9.171 -0.546 1.00 0.00 N ATOM 832 CA GLY A 60 160.417 -8.243 -1.660 1.00 0.00 C ATOM 833 C GLY A 60 159.619 -6.984 -1.385 1.00 0.00 C ATOM 834 O GLY A 60 159.093 -6.359 -2.306 1.00 0.00 O ATOM 0 H GLY A 60 161.018 -8.932 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.450 -7.973 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.019 -8.735 -2.547 1.00 0.00 H new ATOM 838 N CYS A 61 159.528 -6.611 -0.113 1.00 0.00 N ATOM 839 CA CYS A 61 158.788 -5.417 0.283 1.00 0.00 C ATOM 840 C CYS A 61 159.610 -4.561 1.242 1.00 0.00 C ATOM 841 O CYS A 61 160.560 -5.040 1.859 1.00 0.00 O ATOM 842 CB CYS A 61 157.462 -5.808 0.938 1.00 0.00 C ATOM 843 SG CYS A 61 156.438 -6.906 -0.068 1.00 0.00 S ATOM 0 H CYS A 61 159.957 -7.118 0.661 1.00 0.00 H new ATOM 0 HA CYS A 61 158.584 -4.832 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.669 -6.294 1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.897 -4.902 1.158 1.00 0.00 H new ATOM 0 HG CYS A 61 156.625 -8.137 0.306 1.00 0.00 H new ATOM 849 N THR A 62 159.235 -3.291 1.361 1.00 0.00 N ATOM 850 CA THR A 62 159.937 -2.367 2.245 1.00 0.00 C ATOM 851 C THR A 62 159.224 -2.251 3.587 1.00 0.00 C ATOM 852 O THR A 62 158.216 -2.917 3.826 1.00 0.00 O ATOM 853 CB THR A 62 160.047 -0.989 1.592 1.00 0.00 C ATOM 854 OG1 THR A 62 158.778 -0.363 1.524 1.00 0.00 O ATOM 855 CG2 THR A 62 160.612 -1.034 0.188 1.00 0.00 C ATOM 0 H THR A 62 158.450 -2.879 0.857 1.00 0.00 H new ATOM 0 HA THR A 62 160.939 -2.760 2.419 1.00 0.00 H new ATOM 0 HB THR A 62 160.733 -0.425 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.829 0.417 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.663 -0.023 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.612 -1.466 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.968 -1.645 -0.444 1.00 0.00 H new ATOM 863 N ASP A 63 159.753 -1.402 4.462 1.00 0.00 N ATOM 864 CA ASP A 63 159.167 -1.198 5.781 1.00 0.00 C ATOM 865 C ASP A 63 158.493 0.167 5.873 1.00 0.00 C ATOM 866 O ASP A 63 158.496 0.803 6.927 1.00 0.00 O ATOM 867 CB ASP A 63 160.241 -1.323 6.864 1.00 0.00 C ATOM 868 CG ASP A 63 161.339 -0.290 6.711 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.027 0.919 6.749 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.512 -0.688 6.554 1.00 0.00 O ATOM 0 H ASP A 63 160.587 -0.844 4.281 1.00 0.00 H new ATOM 0 HA ASP A 63 158.411 -1.967 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 63 159.778 -1.215 7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.677 -2.321 6.826 1.00 0.00 H new ATOM 875 N GLY A 64 157.917 0.612 4.760 1.00 0.00 N ATOM 876 CA GLY A 64 157.247 1.899 4.736 1.00 0.00 C ATOM 877 C GLY A 64 158.022 2.941 3.954 1.00 0.00 C ATOM 878 O GLY A 64 158.203 4.066 4.417 1.00 0.00 O ATOM 0 H GLY A 64 157.903 0.104 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.257 1.781 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.103 2.249 5.758 1.00 0.00 H new ATOM 882 N THR A 65 158.480 2.565 2.764 1.00 0.00 N ATOM 883 CA THR A 65 159.241 3.474 1.916 1.00 0.00 C ATOM 884 C THR A 65 158.867 3.291 0.448 1.00 0.00 C ATOM 885 O THR A 65 158.792 2.167 -0.048 1.00 0.00 O ATOM 886 CB THR A 65 160.741 3.246 2.104 1.00 0.00 C ATOM 887 OG1 THR A 65 161.030 1.862 2.200 1.00 0.00 O ATOM 888 CG2 THR A 65 161.299 3.918 3.340 1.00 0.00 C ATOM 0 H THR A 65 158.337 1.637 2.366 1.00 0.00 H new ATOM 0 HA THR A 65 158.996 4.495 2.210 1.00 0.00 H new ATOM 0 HB THR A 65 161.212 3.688 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 65 161.995 1.737 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.368 3.716 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.137 4.994 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.795 3.529 4.225 1.00 0.00 H new ATOM 896 N PHE A 66 158.633 4.403 -0.240 1.00 0.00 N ATOM 897 CA PHE A 66 158.267 4.366 -1.653 1.00 0.00 C ATOM 898 C PHE A 66 159.287 5.119 -2.500 1.00 0.00 C ATOM 899 O PHE A 66 159.399 6.342 -2.414 1.00 0.00 O ATOM 900 CB PHE A 66 156.875 4.968 -1.856 1.00 0.00 C ATOM 901 CG PHE A 66 156.271 4.642 -3.191 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.997 3.330 -3.541 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.975 5.648 -4.097 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.440 3.026 -4.769 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.418 5.351 -5.327 1.00 0.00 C ATOM 906 CZ PHE A 66 155.151 4.039 -5.663 1.00 0.00 C ATOM 0 H PHE A 66 158.690 5.341 0.157 1.00 0.00 H new ATOM 0 HA PHE A 66 158.256 3.324 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.213 4.607 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.937 6.051 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.221 2.535 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.182 6.676 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.231 1.999 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.192 6.144 -6.024 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.717 3.805 -6.624 1.00 0.00 H new ATOM 916 N ARG A 67 160.032 4.379 -3.316 1.00 0.00 N ATOM 917 CA ARG A 67 161.043 4.978 -4.179 1.00 0.00 C ATOM 918 C ARG A 67 162.102 5.702 -3.354 1.00 0.00 C ATOM 919 O ARG A 67 162.609 6.749 -3.756 1.00 0.00 O ATOM 920 CB ARG A 67 160.393 5.952 -5.163 1.00 0.00 C ATOM 921 CG ARG A 67 159.132 5.407 -5.815 1.00 0.00 C ATOM 922 CD ARG A 67 158.486 6.437 -6.728 1.00 0.00 C ATOM 923 NE ARG A 67 158.779 6.181 -8.135 1.00 0.00 N ATOM 924 CZ ARG A 67 158.174 5.243 -8.860 1.00 0.00 C ATOM 925 NH1 ARG A 67 157.244 4.470 -8.314 1.00 0.00 N ATOM 926 NH2 ARG A 67 158.498 5.078 -10.136 1.00 0.00 N ATOM 0 H ARG A 67 159.954 3.365 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 67 161.527 4.178 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.151 6.877 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.114 6.205 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.375 4.513 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.423 5.108 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.407 6.430 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.840 7.432 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 67 159.489 6.755 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 67 156.989 4.593 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 67 156.784 3.753 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 67 159.211 5.670 -10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 67 158.034 4.359 -10.691 1.00 0.00 H new ATOM 940 N GLY A 68 162.431 5.138 -2.196 1.00 0.00 N ATOM 941 CA GLY A 68 163.427 5.744 -1.332 1.00 0.00 C ATOM 942 C GLY A 68 162.901 6.969 -0.610 1.00 0.00 C ATOM 943 O GLY A 68 163.664 7.874 -0.273 1.00 0.00 O ATOM 0 H GLY A 68 162.025 4.272 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.762 5.010 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.298 6.022 -1.926 1.00 0.00 H new ATOM 947 N THR A 69 161.594 6.997 -0.372 1.00 0.00 N ATOM 948 CA THR A 69 160.967 8.120 0.314 1.00 0.00 C ATOM 949 C THR A 69 160.042 7.631 1.425 1.00 0.00 C ATOM 950 O THR A 69 158.874 7.326 1.184 1.00 0.00 O ATOM 951 CB THR A 69 160.181 8.977 -0.679 1.00 0.00 C ATOM 952 OG1 THR A 69 160.884 9.098 -1.903 1.00 0.00 O ATOM 953 CG2 THR A 69 159.900 10.375 -0.172 1.00 0.00 C ATOM 0 H THR A 69 160.949 6.255 -0.644 1.00 0.00 H new ATOM 0 HA THR A 69 161.755 8.726 0.762 1.00 0.00 H new ATOM 0 HB THR A 69 159.231 8.460 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.687 8.324 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.340 10.929 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.316 10.318 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.842 10.886 0.028 1.00 0.00 H new ATOM 961 N ARG A 70 160.572 7.560 2.642 1.00 0.00 N ATOM 962 CA ARG A 70 159.794 7.109 3.789 1.00 0.00 C ATOM 963 C ARG A 70 158.637 8.062 4.070 1.00 0.00 C ATOM 964 O ARG A 70 158.834 9.269 4.210 1.00 0.00 O ATOM 965 CB ARG A 70 160.687 6.996 5.025 1.00 0.00 C ATOM 966 CG ARG A 70 160.042 6.239 6.174 1.00 0.00 C ATOM 967 CD ARG A 70 160.682 6.596 7.506 1.00 0.00 C ATOM 968 NE ARG A 70 162.111 6.294 7.526 1.00 0.00 N ATOM 969 CZ ARG A 70 162.828 6.174 8.641 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.255 6.332 9.827 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.123 5.897 8.569 1.00 0.00 N ATOM 0 H ARG A 70 161.537 7.809 2.859 1.00 0.00 H new ATOM 0 HA ARG A 70 159.384 6.127 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.615 6.497 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.952 7.997 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.977 6.467 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.133 5.167 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.533 7.657 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.184 6.047 8.306 1.00 0.00 H new ATOM 0 HE ARG A 70 162.587 6.168 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.260 6.547 9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.810 6.239 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.569 5.776 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.673 5.805 9.423 1.00 0.00 H new ATOM 985 N TYR A 71 157.430 7.513 4.150 1.00 0.00 N ATOM 986 CA TYR A 71 156.240 8.315 4.414 1.00 0.00 C ATOM 987 C TYR A 71 155.660 7.993 5.787 1.00 0.00 C ATOM 988 O TYR A 71 155.224 8.886 6.513 1.00 0.00 O ATOM 989 CB TYR A 71 155.186 8.072 3.332 1.00 0.00 C ATOM 990 CG TYR A 71 155.555 8.651 1.985 1.00 0.00 C ATOM 991 CD1 TYR A 71 156.007 9.960 1.871 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.453 7.889 0.828 1.00 0.00 C ATOM 993 CE1 TYR A 71 156.346 10.493 0.642 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.791 8.415 -0.405 1.00 0.00 C ATOM 995 CZ TYR A 71 156.235 9.717 -0.493 1.00 0.00 C ATOM 996 OH TYR A 71 156.572 10.245 -1.718 1.00 0.00 O ATOM 0 H TYR A 71 157.249 6.516 4.036 1.00 0.00 H new ATOM 0 HA TYR A 71 156.530 9.366 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.028 6.999 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.239 8.503 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 71 156.095 10.571 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.104 6.869 0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.696 11.512 0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.708 7.809 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 71 156.670 9.521 -2.371 1.00 0.00 H new ATOM 1006 N PHE A 72 155.657 6.711 6.136 1.00 0.00 N ATOM 1007 CA PHE A 72 155.130 6.271 7.423 1.00 0.00 C ATOM 1008 C PHE A 72 156.016 5.188 8.030 1.00 0.00 C ATOM 1009 O PHE A 72 156.906 4.655 7.369 1.00 0.00 O ATOM 1010 CB PHE A 72 153.703 5.747 7.261 1.00 0.00 C ATOM 1011 CG PHE A 72 153.559 4.720 6.175 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.366 5.106 4.858 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.619 3.367 6.470 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.233 4.163 3.857 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.489 2.419 5.474 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.295 2.818 4.165 1.00 0.00 C ATOM 0 H PHE A 72 156.013 5.959 5.546 1.00 0.00 H new ATOM 0 HA PHE A 72 155.120 7.128 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.375 5.313 8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.039 6.585 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.319 6.156 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.769 3.050 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.081 4.477 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.539 1.368 5.718 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.192 2.079 3.384 1.00 0.00 H new ATOM 1026 N THR A 73 155.765 4.867 9.297 1.00 0.00 N ATOM 1027 CA THR A 73 156.539 3.847 9.993 1.00 0.00 C ATOM 1028 C THR A 73 155.724 2.569 10.166 1.00 0.00 C ATOM 1029 O THR A 73 154.725 2.549 10.884 1.00 0.00 O ATOM 1030 CB THR A 73 156.992 4.366 11.359 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.826 3.420 12.004 1.00 0.00 O ATOM 1032 CG2 THR A 73 155.842 4.675 12.294 1.00 0.00 C ATOM 0 H THR A 73 155.032 5.299 9.860 1.00 0.00 H new ATOM 0 HA THR A 73 157.417 3.617 9.389 1.00 0.00 H new ATOM 0 HB THR A 73 157.530 5.291 11.152 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.106 3.771 12.875 1.00 0.00 H new ATOM 0 HG21 THR A 73 156.233 5.038 13.244 1.00 0.00 H new ATOM 0 HG22 THR A 73 155.205 5.439 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 73 155.258 3.770 12.464 1.00 0.00 H new ATOM 1040 N CYS A 74 156.160 1.502 9.503 1.00 0.00 N ATOM 1041 CA CYS A 74 155.471 0.220 9.582 1.00 0.00 C ATOM 1042 C CYS A 74 156.459 -0.914 9.839 1.00 0.00 C ATOM 1043 O CYS A 74 157.656 -0.682 10.009 1.00 0.00 O ATOM 1044 CB CYS A 74 154.696 -0.048 8.291 1.00 0.00 C ATOM 1045 SG CYS A 74 153.000 0.580 8.306 1.00 0.00 S ATOM 0 H CYS A 74 156.987 1.501 8.906 1.00 0.00 H new ATOM 0 HA CYS A 74 154.770 0.264 10.416 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.232 0.404 7.457 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.673 -1.123 8.110 1.00 0.00 H new ATOM 0 HG CYS A 74 152.859 1.470 7.369 1.00 0.00 H new ATOM 1051 N ALA A 75 155.949 -2.142 9.866 1.00 0.00 N ATOM 1052 CA ALA A 75 156.786 -3.312 10.102 1.00 0.00 C ATOM 1053 C ALA A 75 157.751 -3.540 8.943 1.00 0.00 C ATOM 1054 O ALA A 75 157.777 -2.770 7.983 1.00 0.00 O ATOM 1055 CB ALA A 75 155.921 -4.543 10.320 1.00 0.00 C ATOM 0 H ALA A 75 154.960 -2.352 9.727 1.00 0.00 H new ATOM 0 HA ALA A 75 157.375 -3.131 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 75 156.559 -5.409 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 75 155.276 -4.386 11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.307 -4.717 9.437 1.00 0.00 H new ATOM 1061 N LEU A 76 158.542 -4.603 9.039 1.00 0.00 N ATOM 1062 CA LEU A 76 159.509 -4.934 7.999 1.00 0.00 C ATOM 1063 C LEU A 76 158.917 -5.923 7.001 1.00 0.00 C ATOM 1064 O LEU A 76 158.274 -6.899 7.387 1.00 0.00 O ATOM 1065 CB LEU A 76 160.779 -5.517 8.620 1.00 0.00 C ATOM 1066 CG LEU A 76 161.763 -4.484 9.173 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.495 -5.038 10.385 1.00 0.00 C ATOM 1068 CD2 LEU A 76 162.752 -4.063 8.097 1.00 0.00 C ATOM 0 H LEU A 76 158.532 -5.251 9.827 1.00 0.00 H new ATOM 0 HA LEU A 76 159.762 -4.016 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.494 -6.193 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.291 -6.117 7.868 1.00 0.00 H new ATOM 0 HG LEU A 76 161.200 -3.605 9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.190 -4.289 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.773 -5.290 11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.047 -5.933 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.445 -3.328 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.309 -4.935 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.212 -3.624 7.258 1.00 0.00 H new ATOM 1080 N LYS A 77 159.139 -5.665 5.715 1.00 0.00 N ATOM 1081 CA LYS A 77 158.628 -6.533 4.662 1.00 0.00 C ATOM 1082 C LYS A 77 157.104 -6.595 4.699 1.00 0.00 C ATOM 1083 O LYS A 77 156.509 -7.649 4.473 1.00 0.00 O ATOM 1084 CB LYS A 77 159.211 -7.940 4.804 1.00 0.00 C ATOM 1085 CG LYS A 77 160.726 -7.987 4.684 1.00 0.00 C ATOM 1086 CD LYS A 77 161.166 -8.174 3.241 1.00 0.00 C ATOM 1087 CE LYS A 77 162.624 -7.792 3.048 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.308 -8.683 2.071 1.00 0.00 N ATOM 0 H LYS A 77 159.670 -4.861 5.379 1.00 0.00 H new ATOM 0 HA LYS A 77 158.933 -6.116 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.919 -8.349 5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.774 -8.584 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.152 -7.064 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.115 -8.803 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.019 -9.213 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.540 -7.566 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.686 -6.760 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.141 -7.839 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.300 -8.389 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.272 -9.665 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.831 -8.619 1.149 1.00 0.00 H new ATOM 1102 N LYS A 78 156.477 -5.460 4.988 1.00 0.00 N ATOM 1103 CA LYS A 78 155.023 -5.384 5.056 1.00 0.00 C ATOM 1104 C LYS A 78 154.526 -4.015 4.601 1.00 0.00 C ATOM 1105 O LYS A 78 153.613 -3.445 5.197 1.00 0.00 O ATOM 1106 CB LYS A 78 154.543 -5.667 6.481 1.00 0.00 C ATOM 1107 CG LYS A 78 154.990 -7.018 7.016 1.00 0.00 C ATOM 1108 CD LYS A 78 154.535 -7.227 8.451 1.00 0.00 C ATOM 1109 CE LYS A 78 153.296 -8.107 8.521 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.334 -7.632 9.553 1.00 0.00 N ATOM 0 H LYS A 78 156.954 -4.579 5.179 1.00 0.00 H new ATOM 0 HA LYS A 78 154.613 -6.139 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 78 154.912 -4.883 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.454 -5.618 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.587 -7.811 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.076 -7.090 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.340 -7.684 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.323 -6.262 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.806 -8.122 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.591 -9.132 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 151.497 -8.249 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 152.788 -7.658 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.045 -6.657 9.336 1.00 0.00 H new ATOM 1124 N ALA A 79 155.135 -3.493 3.540 1.00 0.00 N ATOM 1125 CA ALA A 79 154.756 -2.191 3.006 1.00 0.00 C ATOM 1126 C ALA A 79 154.589 -2.246 1.491 1.00 0.00 C ATOM 1127 O ALA A 79 155.567 -2.379 0.754 1.00 0.00 O ATOM 1128 CB ALA A 79 155.789 -1.143 3.387 1.00 0.00 C ATOM 0 H ALA A 79 155.892 -3.952 3.034 1.00 0.00 H new ATOM 0 HA ALA A 79 153.796 -1.913 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.493 -0.176 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.856 -1.076 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.760 -1.425 2.980 1.00 0.00 H new ATOM 1134 N LEU A 80 153.346 -2.143 1.033 1.00 0.00 N ATOM 1135 CA LEU A 80 153.051 -2.181 -0.394 1.00 0.00 C ATOM 1136 C LEU A 80 152.282 -0.935 -0.825 1.00 0.00 C ATOM 1137 O LEU A 80 151.202 -0.652 -0.307 1.00 0.00 O ATOM 1138 CB LEU A 80 152.245 -3.435 -0.737 1.00 0.00 C ATOM 1139 CG LEU A 80 151.821 -3.553 -2.202 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.012 -3.915 -3.075 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.714 -4.585 -2.354 1.00 0.00 C ATOM 0 H LEU A 80 152.526 -2.032 1.630 1.00 0.00 H new ATOM 0 HA LEU A 80 153.998 -2.207 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.837 -4.312 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.351 -3.456 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 80 151.438 -2.586 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.691 -3.995 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.775 -3.141 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.425 -4.869 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.424 -4.656 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.071 -5.555 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.852 -4.284 -1.759 1.00 0.00 H new ATOM 1153 N PHE A 81 152.846 -0.195 -1.772 1.00 0.00 N ATOM 1154 CA PHE A 81 152.214 1.019 -2.272 1.00 0.00 C ATOM 1155 C PHE A 81 151.401 0.732 -3.530 1.00 0.00 C ATOM 1156 O PHE A 81 151.843 -0.005 -4.411 1.00 0.00 O ATOM 1157 CB PHE A 81 153.272 2.086 -2.565 1.00 0.00 C ATOM 1158 CG PHE A 81 153.894 2.672 -1.330 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.971 2.051 -0.719 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.400 3.844 -0.780 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.545 2.588 0.417 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.970 4.386 0.357 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.044 3.756 0.957 1.00 0.00 C ATOM 0 H PHE A 81 153.741 -0.415 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 81 151.537 1.390 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.056 1.648 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.816 2.887 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.367 1.136 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.560 4.340 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.385 2.095 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.577 5.300 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.490 4.176 1.846 1.00 0.00 H new ATOM 1173 N VAL A 82 150.212 1.320 -3.606 1.00 0.00 N ATOM 1174 CA VAL A 82 149.338 1.127 -4.758 1.00 0.00 C ATOM 1175 C VAL A 82 148.527 2.385 -5.048 1.00 0.00 C ATOM 1176 O VAL A 82 148.443 3.288 -4.216 1.00 0.00 O ATOM 1177 CB VAL A 82 148.372 -0.053 -4.539 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.117 -1.376 -4.623 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.657 0.082 -3.202 1.00 0.00 C ATOM 0 H VAL A 82 149.832 1.933 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 82 149.981 0.907 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 82 147.621 -0.035 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.418 -2.198 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.576 -1.473 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.892 -1.407 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.979 -0.761 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.391 0.092 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.088 1.012 -3.186 1.00 0.00 H new ATOM 1189 N LYS A 83 147.929 2.438 -6.234 1.00 0.00 N ATOM 1190 CA LYS A 83 147.125 3.585 -6.636 1.00 0.00 C ATOM 1191 C LYS A 83 145.818 3.634 -5.853 1.00 0.00 C ATOM 1192 O LYS A 83 145.041 2.678 -5.859 1.00 0.00 O ATOM 1193 CB LYS A 83 146.833 3.530 -8.136 1.00 0.00 C ATOM 1194 CG LYS A 83 148.083 3.515 -8.999 1.00 0.00 C ATOM 1195 CD LYS A 83 147.742 3.365 -10.472 1.00 0.00 C ATOM 1196 CE LYS A 83 148.891 3.816 -11.360 1.00 0.00 C ATOM 1197 NZ LYS A 83 149.817 2.695 -11.683 1.00 0.00 N ATOM 0 H LYS A 83 147.987 1.698 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 83 147.693 4.489 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.243 2.639 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 83 146.222 4.390 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.643 4.438 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.730 2.695 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.502 2.324 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.852 3.951 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 83 148.493 4.235 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 149.444 4.612 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 150.586 3.044 -12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 150.217 2.311 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 149.295 1.946 -12.182 1.00 0.00 H new ATOM 1211 N LEU A 84 145.581 4.755 -5.181 1.00 0.00 N ATOM 1212 CA LEU A 84 144.368 4.936 -4.393 1.00 0.00 C ATOM 1213 C LEU A 84 143.126 4.784 -5.264 1.00 0.00 C ATOM 1214 O LEU A 84 142.118 4.224 -4.833 1.00 0.00 O ATOM 1215 CB LEU A 84 144.376 6.313 -3.725 1.00 0.00 C ATOM 1216 CG LEU A 84 143.102 6.670 -2.958 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.017 5.873 -1.666 1.00 0.00 C ATOM 1218 CD2 LEU A 84 143.056 8.163 -2.669 1.00 0.00 C ATOM 0 H LEU A 84 146.215 5.554 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 84 144.342 4.165 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.221 6.361 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.545 7.070 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 84 142.243 6.413 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.104 6.140 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.005 4.808 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.881 6.099 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 84 142.143 8.400 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.921 8.444 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 84 143.071 8.716 -3.608 1.00 0.00 H new ATOM 1230 N LYS A 85 143.207 5.285 -6.492 1.00 0.00 N ATOM 1231 CA LYS A 85 142.089 5.204 -7.426 1.00 0.00 C ATOM 1232 C LYS A 85 141.772 3.752 -7.773 1.00 0.00 C ATOM 1233 O LYS A 85 140.646 3.427 -8.146 1.00 0.00 O ATOM 1234 CB LYS A 85 142.404 5.988 -8.701 1.00 0.00 C ATOM 1235 CG LYS A 85 143.788 5.703 -9.264 1.00 0.00 C ATOM 1236 CD LYS A 85 144.711 6.903 -9.121 1.00 0.00 C ATOM 1237 CE LYS A 85 145.607 7.066 -10.338 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.828 7.053 -11.607 1.00 0.00 N ATOM 0 H LYS A 85 144.034 5.751 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 85 141.215 5.642 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.657 5.750 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.318 7.054 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 85 144.222 4.847 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.704 5.432 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.116 7.806 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 85 145.326 6.786 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 85 146.158 8.003 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 85 146.344 6.263 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 145.285 7.678 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.794 6.084 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 143.861 7.388 -11.424 1.00 0.00 H new ATOM 1252 N SER A 86 142.772 2.885 -7.647 1.00 0.00 N ATOM 1253 CA SER A 86 142.596 1.468 -7.949 1.00 0.00 C ATOM 1254 C SER A 86 142.484 0.649 -6.668 1.00 0.00 C ATOM 1255 O SER A 86 142.895 -0.511 -6.624 1.00 0.00 O ATOM 1256 CB SER A 86 143.763 0.957 -8.795 1.00 0.00 C ATOM 1257 OG SER A 86 144.179 1.934 -9.734 1.00 0.00 O ATOM 0 H SER A 86 143.711 3.138 -7.339 1.00 0.00 H new ATOM 0 HA SER A 86 141.670 1.354 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.598 0.693 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.466 0.048 -9.318 1.00 0.00 H new ATOM 0 HG SER A 86 144.927 1.583 -10.261 1.00 0.00 H new ATOM 1263 N CYS A 87 141.926 1.258 -5.627 1.00 0.00 N ATOM 1264 CA CYS A 87 141.760 0.585 -4.346 1.00 0.00 C ATOM 1265 C CYS A 87 140.295 0.232 -4.103 1.00 0.00 C ATOM 1266 O CYS A 87 139.395 0.870 -4.648 1.00 0.00 O ATOM 1267 CB CYS A 87 142.277 1.469 -3.209 1.00 0.00 C ATOM 1268 SG CYS A 87 144.080 1.553 -3.104 1.00 0.00 S ATOM 0 H CYS A 87 141.581 2.218 -5.647 1.00 0.00 H new ATOM 0 HA CYS A 87 142.340 -0.338 -4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.884 2.477 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.885 1.093 -2.264 1.00 0.00 H new ATOM 0 HG CYS A 87 144.559 2.013 -4.222 1.00 0.00 H new ATOM 1274 N ARG A 88 140.066 -0.789 -3.284 1.00 0.00 N ATOM 1275 CA ARG A 88 138.710 -1.227 -2.971 1.00 0.00 C ATOM 1276 C ARG A 88 138.470 -1.220 -1.460 1.00 0.00 C ATOM 1277 O ARG A 88 139.274 -1.758 -0.698 1.00 0.00 O ATOM 1278 CB ARG A 88 138.463 -2.628 -3.535 1.00 0.00 C ATOM 1279 CG ARG A 88 137.305 -2.694 -4.518 1.00 0.00 C ATOM 1280 CD ARG A 88 136.151 -3.520 -3.972 1.00 0.00 C ATOM 1281 NE ARG A 88 135.512 -4.323 -5.012 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.347 -4.946 -4.855 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.690 -4.862 -3.705 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.837 -5.656 -5.852 1.00 0.00 N ATOM 0 H ARG A 88 140.800 -1.328 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 88 138.012 -0.529 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.369 -2.976 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 88 138.268 -3.313 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.958 -1.685 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.649 -3.126 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.517 -4.175 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.413 -2.857 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 88 135.987 -4.411 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 88 134.078 -4.317 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.797 -5.342 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.338 -5.724 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 88 132.944 -6.134 -5.733 1.00 0.00 H new ATOM 1298 N PRO A 89 137.360 -0.611 -1.004 1.00 0.00 N ATOM 1299 CA PRO A 89 137.030 -0.544 0.424 1.00 0.00 C ATOM 1300 C PRO A 89 137.016 -1.921 1.079 1.00 0.00 C ATOM 1301 O PRO A 89 136.454 -2.872 0.536 1.00 0.00 O ATOM 1302 CB PRO A 89 135.626 0.067 0.440 1.00 0.00 C ATOM 1303 CG PRO A 89 135.525 0.825 -0.837 1.00 0.00 C ATOM 1304 CD PRO A 89 136.343 0.058 -1.837 1.00 0.00 C ATOM 0 HA PRO A 89 137.766 0.033 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.859 -0.705 0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.490 0.722 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.488 0.907 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.903 1.840 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.736 -0.662 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.799 0.718 -2.575 1.00 0.00 H new ATOM 1312 N ASP A 90 137.639 -2.020 2.248 1.00 0.00 N ATOM 1313 CA ASP A 90 137.699 -3.282 2.978 1.00 0.00 C ATOM 1314 C ASP A 90 136.690 -3.296 4.122 1.00 0.00 C ATOM 1315 O ASP A 90 136.787 -2.501 5.058 1.00 0.00 O ATOM 1316 CB ASP A 90 139.109 -3.515 3.522 1.00 0.00 C ATOM 1317 CG ASP A 90 139.388 -4.979 3.796 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.808 -5.835 3.095 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.186 -5.270 4.711 1.00 0.00 O ATOM 0 H ASP A 90 138.110 -1.242 2.711 1.00 0.00 H new ATOM 0 HA ASP A 90 137.448 -4.086 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 90 139.839 -3.137 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.239 -2.945 4.442 1.00 0.00 H new ATOM 1324 N SER A 91 135.722 -4.204 4.040 1.00 0.00 N ATOM 1325 CA SER A 91 134.695 -4.321 5.069 1.00 0.00 C ATOM 1326 C SER A 91 134.986 -5.499 5.995 1.00 0.00 C ATOM 1327 O SER A 91 134.070 -6.102 6.555 1.00 0.00 O ATOM 1328 CB SER A 91 133.319 -4.494 4.424 1.00 0.00 C ATOM 1329 OG SER A 91 132.300 -3.944 5.240 1.00 0.00 O ATOM 0 H SER A 91 135.628 -4.869 3.272 1.00 0.00 H new ATOM 0 HA SER A 91 134.701 -3.406 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.308 -4.010 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.123 -5.553 4.257 1.00 0.00 H new ATOM 0 HG SER A 91 131.431 -4.066 4.805 1.00 0.00 H new ATOM 1335 N ARG A 92 136.266 -5.822 6.150 1.00 0.00 N ATOM 1336 CA ARG A 92 136.676 -6.929 7.006 1.00 0.00 C ATOM 1337 C ARG A 92 136.335 -6.649 8.466 1.00 0.00 C ATOM 1338 O ARG A 92 136.092 -7.572 9.243 1.00 0.00 O ATOM 1339 CB ARG A 92 138.178 -7.181 6.862 1.00 0.00 C ATOM 1340 CG ARG A 92 138.528 -8.159 5.751 1.00 0.00 C ATOM 1341 CD ARG A 92 138.929 -9.516 6.308 1.00 0.00 C ATOM 1342 NE ARG A 92 137.861 -10.122 7.098 1.00 0.00 N ATOM 1343 CZ ARG A 92 138.051 -11.115 7.965 1.00 0.00 C ATOM 1344 NH1 ARG A 92 139.265 -11.616 8.155 1.00 0.00 N ATOM 1345 NH2 ARG A 92 137.024 -11.608 8.643 1.00 0.00 N ATOM 0 H ARG A 92 137.037 -5.333 5.694 1.00 0.00 H new ATOM 0 HA ARG A 92 136.131 -7.818 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 92 138.680 -6.233 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.566 -7.563 7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 92 137.673 -8.276 5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.344 -7.755 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 92 139.194 -10.181 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.819 -9.405 6.927 1.00 0.00 H new ATOM 0 HE ARG A 92 136.913 -9.764 6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 92 140.059 -11.241 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 92 139.405 -12.376 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 92 136.089 -11.227 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 92 137.169 -12.369 9.307 1.00 0.00 H new