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 41 GLN :FLIP amide:sc= -0.614 F(o=-6,f=-1.9) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.31 K(o=-1.9,f=-2.7) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0536 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= -0.0215 USER MOD Single : A 62 THR OG1 : rot 172:sc= -0.0542 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 92:sc= 0.0141 USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 116:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0.634 (180deg=0.59) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.302 (180deg=0.275) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -150:sc= -0.0595 (180deg=-0.649) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 64:sc= 0.374 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.398 5.966 2.051 1.00 0.00 N ATOM 200 CA LEU A 18 139.725 5.362 2.070 1.00 0.00 C ATOM 201 C LEU A 18 140.782 6.382 2.478 1.00 0.00 C ATOM 202 O LEU A 18 141.246 7.174 1.658 1.00 0.00 O ATOM 203 CB LEU A 18 140.064 4.782 0.695 1.00 0.00 C ATOM 204 CG LEU A 18 139.132 3.667 0.215 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.297 3.440 -1.279 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.400 2.383 0.985 1.00 0.00 C ATOM 0 HA LEU A 18 139.720 4.558 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.047 5.589 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 18 141.083 4.397 0.721 1.00 0.00 H new ATOM 0 HG LEU A 18 138.103 3.972 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.627 2.644 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.056 4.358 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.327 3.156 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.729 1.600 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.433 2.074 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.230 2.554 2.048 1.00 0.00 H new ATOM 218 N GLU A 19 141.161 6.355 3.752 1.00 0.00 N ATOM 219 CA GLU A 19 142.165 7.278 4.270 1.00 0.00 C ATOM 220 C GLU A 19 143.124 6.563 5.216 1.00 0.00 C ATOM 221 O GLU A 19 142.959 5.376 5.502 1.00 0.00 O ATOM 222 CB GLU A 19 141.490 8.443 4.996 1.00 0.00 C ATOM 223 CG GLU A 19 140.512 8.005 6.073 1.00 0.00 C ATOM 224 CD GLU A 19 140.304 9.064 7.137 1.00 0.00 C ATOM 225 OE1 GLU A 19 140.581 10.250 6.858 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.864 8.709 8.251 1.00 0.00 O ATOM 0 H GLU A 19 140.788 5.705 4.444 1.00 0.00 H new ATOM 0 HA GLU A 19 142.736 7.666 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.257 9.072 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.963 9.058 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.554 7.765 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.878 7.092 6.542 1.00 0.00 H new ATOM 233 N VAL A 20 144.125 7.292 5.699 1.00 0.00 N ATOM 234 CA VAL A 20 145.110 6.726 6.613 1.00 0.00 C ATOM 235 C VAL A 20 144.444 6.188 7.875 1.00 0.00 C ATOM 236 O VAL A 20 143.639 6.874 8.504 1.00 0.00 O ATOM 237 CB VAL A 20 146.171 7.770 7.011 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.292 7.118 7.806 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.720 8.469 5.777 1.00 0.00 C ATOM 0 H VAL A 20 144.275 8.275 5.473 1.00 0.00 H new ATOM 0 HA VAL A 20 145.597 5.906 6.085 1.00 0.00 H new ATOM 0 HB VAL A 20 145.697 8.519 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 148.031 7.871 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.883 6.668 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.767 6.346 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.468 9.203 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.178 7.733 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.908 8.972 5.252 1.00 0.00 H new ATOM 249 N GLY A 21 144.787 4.957 8.240 1.00 0.00 N ATOM 250 CA GLY A 21 144.211 4.348 9.425 1.00 0.00 C ATOM 251 C GLY A 21 143.134 3.335 9.090 1.00 0.00 C ATOM 252 O GLY A 21 142.916 2.381 9.838 1.00 0.00 O ATOM 0 H GLY A 21 145.453 4.371 7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.999 3.860 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.789 5.126 10.061 1.00 0.00 H new ATOM 256 N SER A 22 142.457 3.543 7.966 1.00 0.00 N ATOM 257 CA SER A 22 141.395 2.642 7.535 1.00 0.00 C ATOM 258 C SER A 22 141.962 1.487 6.716 1.00 0.00 C ATOM 259 O SER A 22 143.018 1.614 6.094 1.00 0.00 O ATOM 260 CB SER A 22 140.354 3.403 6.713 1.00 0.00 C ATOM 261 OG SER A 22 140.256 4.752 7.136 1.00 0.00 O ATOM 0 H SER A 22 142.625 4.328 7.337 1.00 0.00 H new ATOM 0 HA SER A 22 140.916 2.233 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.624 3.368 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.383 2.917 6.810 1.00 0.00 H new ATOM 0 HG SER A 22 139.585 5.217 6.594 1.00 0.00 H new ATOM 267 N LEU A 23 141.255 0.363 6.718 1.00 0.00 N ATOM 268 CA LEU A 23 141.687 -0.815 5.976 1.00 0.00 C ATOM 269 C LEU A 23 141.168 -0.774 4.541 1.00 0.00 C ATOM 270 O LEU A 23 140.116 -0.197 4.268 1.00 0.00 O ATOM 271 CB LEU A 23 141.202 -2.088 6.670 1.00 0.00 C ATOM 272 CG LEU A 23 141.626 -2.231 8.132 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.629 -3.086 8.896 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.024 -2.824 8.226 1.00 0.00 C ATOM 0 H LEU A 23 140.379 0.243 7.226 1.00 0.00 H new ATOM 0 HA LEU A 23 142.777 -0.818 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.114 -2.119 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.572 -2.950 6.115 1.00 0.00 H new ATOM 0 HG LEU A 23 141.643 -1.239 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.948 -3.176 9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.645 -2.619 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.578 -4.077 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.309 -2.919 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.034 -3.808 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.731 -2.171 7.715 1.00 0.00 H new ATOM 286 N ALA A 24 141.915 -1.389 3.630 1.00 0.00 N ATOM 287 CA ALA A 24 141.529 -1.423 2.224 1.00 0.00 C ATOM 288 C ALA A 24 142.121 -2.640 1.521 1.00 0.00 C ATOM 289 O ALA A 24 143.023 -3.294 2.044 1.00 0.00 O ATOM 290 CB ALA A 24 141.969 -0.144 1.526 1.00 0.00 C ATOM 0 H ALA A 24 142.790 -1.870 3.840 1.00 0.00 H new ATOM 0 HA ALA A 24 140.443 -1.499 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.675 -0.182 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.495 0.713 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.052 -0.046 1.596 1.00 0.00 H new ATOM 296 N GLU A 25 141.605 -2.939 0.333 1.00 0.00 N ATOM 297 CA GLU A 25 142.081 -4.077 -0.443 1.00 0.00 C ATOM 298 C GLU A 25 142.488 -3.644 -1.848 1.00 0.00 C ATOM 299 O GLU A 25 142.089 -2.580 -2.320 1.00 0.00 O ATOM 300 CB GLU A 25 140.999 -5.155 -0.523 1.00 0.00 C ATOM 301 CG GLU A 25 141.483 -6.460 -1.133 1.00 0.00 C ATOM 302 CD GLU A 25 140.401 -7.521 -1.174 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.228 -7.166 -1.416 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.726 -8.709 -0.962 1.00 0.00 O ATOM 0 H GLU A 25 140.857 -2.408 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 25 142.956 -4.488 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.619 -5.351 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.164 -4.776 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 141.842 -6.273 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.331 -6.833 -0.558 1.00 0.00 H new ATOM 311 N VAL A 26 143.287 -4.475 -2.511 1.00 0.00 N ATOM 312 CA VAL A 26 143.748 -4.177 -3.861 1.00 0.00 C ATOM 313 C VAL A 26 143.419 -5.317 -4.819 1.00 0.00 C ATOM 314 O VAL A 26 143.323 -6.475 -4.413 1.00 0.00 O ATOM 315 CB VAL A 26 145.265 -3.918 -3.892 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.695 -3.418 -5.262 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.659 -2.927 -2.807 1.00 0.00 C ATOM 0 H VAL A 26 143.628 -5.360 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 26 143.226 -3.275 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 26 145.779 -4.859 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.770 -3.241 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.449 -4.166 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.174 -2.488 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.735 -2.756 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.136 -1.984 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.389 -3.330 -1.831 1.00 0.00 H new ATOM 327 N LYS A 27 143.246 -4.980 -6.093 1.00 0.00 N ATOM 328 CA LYS A 27 142.928 -5.975 -7.111 1.00 0.00 C ATOM 329 C LYS A 27 144.200 -6.598 -7.678 1.00 0.00 C ATOM 330 O LYS A 27 145.039 -5.906 -8.254 1.00 0.00 O ATOM 331 CB LYS A 27 142.112 -5.339 -8.237 1.00 0.00 C ATOM 332 CG LYS A 27 140.694 -4.972 -7.829 1.00 0.00 C ATOM 333 CD LYS A 27 139.714 -5.178 -8.973 1.00 0.00 C ATOM 334 CE LYS A 27 139.400 -6.652 -9.178 1.00 0.00 C ATOM 335 NZ LYS A 27 138.239 -7.091 -8.356 1.00 0.00 N ATOM 0 H LYS A 27 143.321 -4.026 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 27 142.337 -6.762 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 142.625 -4.442 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.072 -6.029 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.391 -5.579 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.665 -3.931 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.792 -4.634 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 27 140.131 -4.763 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.189 -6.835 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 27 140.275 -7.249 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 138.057 -8.101 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.450 -6.940 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.398 -6.539 -8.620 1.00 0.00 H new ATOM 349 N GLU A 28 144.336 -7.910 -7.512 1.00 0.00 N ATOM 350 CA GLU A 28 145.506 -8.625 -8.008 1.00 0.00 C ATOM 351 C GLU A 28 145.304 -10.134 -7.909 1.00 0.00 C ATOM 352 O GLU A 28 144.222 -10.604 -7.555 1.00 0.00 O ATOM 353 CB GLU A 28 146.753 -8.211 -7.224 1.00 0.00 C ATOM 354 CG GLU A 28 147.925 -7.818 -8.108 1.00 0.00 C ATOM 355 CD GLU A 28 149.250 -7.857 -7.373 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.840 -8.953 -7.271 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.698 -6.791 -6.900 1.00 0.00 O ATOM 0 H GLU A 28 143.651 -8.499 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 28 145.643 -8.364 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.502 -7.373 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.056 -9.035 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.970 -8.490 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.760 -6.814 -8.498 1.00 0.00 H new ATOM 364 N ASN A 29 146.352 -10.887 -8.224 1.00 0.00 N ATOM 365 CA ASN A 29 146.291 -12.343 -8.170 1.00 0.00 C ATOM 366 C ASN A 29 146.243 -12.833 -6.724 1.00 0.00 C ATOM 367 O ASN A 29 145.308 -13.528 -6.327 1.00 0.00 O ATOM 368 CB ASN A 29 147.497 -12.952 -8.888 1.00 0.00 C ATOM 369 CG ASN A 29 147.184 -13.332 -10.322 1.00 0.00 C ATOM 370 OD1 ASN A 29 146.964 -14.502 -10.633 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.164 -12.340 -11.206 1.00 0.00 N ATOM 0 H ASN A 29 147.254 -10.513 -8.519 1.00 0.00 H new ATOM 0 HA ASN A 29 145.378 -12.663 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.322 -12.240 -8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.831 -13.836 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.960 -12.535 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.352 -11.384 -10.904 1.00 0.00 H new ATOM 378 N PRO A 30 147.256 -12.475 -5.915 1.00 0.00 N ATOM 379 CA PRO A 30 147.323 -12.883 -4.510 1.00 0.00 C ATOM 380 C PRO A 30 146.375 -12.074 -3.625 1.00 0.00 C ATOM 381 O PRO A 30 146.600 -10.886 -3.390 1.00 0.00 O ATOM 382 CB PRO A 30 148.776 -12.596 -4.136 1.00 0.00 C ATOM 383 CG PRO A 30 149.176 -11.466 -5.020 1.00 0.00 C ATOM 384 CD PRO A 30 148.413 -11.647 -6.307 1.00 0.00 C ATOM 0 HA PRO A 30 147.025 -13.922 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 30 148.869 -12.328 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.407 -13.470 -4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 30 148.938 -10.508 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.251 -11.475 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.098 -10.690 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.020 -12.141 -7.066 1.00 0.00 H new ATOM 392 N PRO A 31 145.299 -12.705 -3.121 1.00 0.00 N ATOM 393 CA PRO A 31 144.321 -12.029 -2.261 1.00 0.00 C ATOM 394 C PRO A 31 144.903 -11.667 -0.899 1.00 0.00 C ATOM 395 O PRO A 31 144.919 -12.489 0.018 1.00 0.00 O ATOM 396 CB PRO A 31 143.202 -13.061 -2.109 1.00 0.00 C ATOM 397 CG PRO A 31 143.863 -14.375 -2.339 1.00 0.00 C ATOM 398 CD PRO A 31 144.949 -14.120 -3.347 1.00 0.00 C ATOM 0 HA PRO A 31 143.988 -11.084 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 31 142.752 -13.013 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.404 -12.888 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.276 -14.772 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.150 -15.111 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 31 145.805 -14.776 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 31 144.600 -14.290 -4.366 1.00 0.00 H new ATOM 406 N PHE A 32 145.381 -10.433 -0.773 1.00 0.00 N ATOM 407 CA PHE A 32 145.964 -9.962 0.477 1.00 0.00 C ATOM 408 C PHE A 32 145.145 -8.815 1.062 1.00 0.00 C ATOM 409 O PHE A 32 144.214 -8.318 0.429 1.00 0.00 O ATOM 410 CB PHE A 32 147.408 -9.509 0.251 1.00 0.00 C ATOM 411 CG PHE A 32 147.563 -8.546 -0.891 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.148 -7.230 -0.765 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.123 -8.957 -2.089 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.290 -6.342 -1.814 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.267 -8.074 -3.142 1.00 0.00 C ATOM 416 CZ PHE A 32 147.850 -6.764 -3.004 1.00 0.00 C ATOM 0 H PHE A 32 145.376 -9.741 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 32 145.956 -10.789 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 32 147.781 -9.042 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.030 -10.385 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.709 -6.895 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 32 148.451 -9.980 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.963 -5.319 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.705 -8.407 -4.071 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.962 -6.071 -3.825 1.00 0.00 H new ATOM 426 N TYR A 33 145.499 -8.400 2.274 1.00 0.00 N ATOM 427 CA TYR A 33 144.798 -7.311 2.945 1.00 0.00 C ATOM 428 C TYR A 33 145.784 -6.357 3.611 1.00 0.00 C ATOM 429 O TYR A 33 146.646 -6.779 4.381 1.00 0.00 O ATOM 430 CB TYR A 33 143.825 -7.868 3.986 1.00 0.00 C ATOM 431 CG TYR A 33 142.526 -8.368 3.396 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.669 -7.506 2.726 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.158 -9.703 3.510 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.480 -7.959 2.185 1.00 0.00 C ATOM 435 CE2 TYR A 33 140.973 -10.164 2.972 1.00 0.00 C ATOM 436 CZ TYR A 33 140.137 -9.289 2.311 1.00 0.00 C ATOM 437 OH TYR A 33 138.955 -9.745 1.775 1.00 0.00 O ATOM 0 H TYR A 33 146.267 -8.801 2.812 1.00 0.00 H new ATOM 0 HA TYR A 33 144.236 -6.756 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.308 -8.685 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.606 -7.091 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 33 141.935 -6.464 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.810 -10.391 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 33 139.824 -7.276 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.702 -11.205 3.068 1.00 0.00 H new ATOM 0 HH TYR A 33 138.865 -10.705 1.951 1.00 0.00 H new ATOM 447 N GLY A 34 145.651 -5.070 3.307 1.00 0.00 N ATOM 448 CA GLY A 34 146.537 -4.077 3.886 1.00 0.00 C ATOM 449 C GLY A 34 145.804 -2.819 4.308 1.00 0.00 C ATOM 450 O GLY A 34 144.764 -2.480 3.743 1.00 0.00 O ATOM 0 H GLY A 34 144.946 -4.697 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.042 -4.506 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.309 -3.818 3.162 1.00 0.00 H new ATOM 454 N VAL A 35 146.346 -2.128 5.305 1.00 0.00 N ATOM 455 CA VAL A 35 145.736 -0.901 5.804 1.00 0.00 C ATOM 456 C VAL A 35 146.431 0.330 5.231 1.00 0.00 C ATOM 457 O VAL A 35 147.642 0.322 5.004 1.00 0.00 O ATOM 458 CB VAL A 35 145.779 -0.837 7.344 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.217 -0.819 7.843 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.015 0.376 7.851 1.00 0.00 C ATOM 0 H VAL A 35 147.206 -2.396 5.783 1.00 0.00 H new ATOM 0 HA VAL A 35 144.695 -0.909 5.480 1.00 0.00 H new ATOM 0 HB VAL A 35 145.296 -1.732 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.224 -0.774 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.728 -1.724 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.731 0.054 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.057 0.403 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.464 1.284 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.975 0.312 7.530 1.00 0.00 H new ATOM 470 N ILE A 36 145.660 1.386 4.999 1.00 0.00 N ATOM 471 CA ILE A 36 146.203 2.624 4.454 1.00 0.00 C ATOM 472 C ILE A 36 147.172 3.275 5.434 1.00 0.00 C ATOM 473 O ILE A 36 146.898 3.358 6.631 1.00 0.00 O ATOM 474 CB ILE A 36 145.085 3.628 4.109 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.024 2.962 3.230 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.664 4.852 3.414 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.872 3.878 2.875 1.00 0.00 C ATOM 0 H ILE A 36 144.656 1.409 5.180 1.00 0.00 H new ATOM 0 HA ILE A 36 146.735 2.360 3.540 1.00 0.00 H new ATOM 0 HB ILE A 36 144.612 3.952 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.494 2.609 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.634 2.085 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.861 5.550 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.385 5.337 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.162 4.546 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.158 3.340 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.377 4.211 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.250 4.744 2.331 1.00 0.00 H new ATOM 489 N ARG A 37 148.308 3.734 4.920 1.00 0.00 N ATOM 490 CA ARG A 37 149.320 4.376 5.750 1.00 0.00 C ATOM 491 C ARG A 37 149.586 5.803 5.282 1.00 0.00 C ATOM 492 O ARG A 37 149.349 6.762 6.015 1.00 0.00 O ATOM 493 CB ARG A 37 150.618 3.568 5.724 1.00 0.00 C ATOM 494 CG ARG A 37 150.417 2.085 5.989 1.00 0.00 C ATOM 495 CD ARG A 37 149.715 1.846 7.317 1.00 0.00 C ATOM 496 NE ARG A 37 150.302 2.636 8.396 1.00 0.00 N ATOM 497 CZ ARG A 37 149.687 2.887 9.550 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.468 2.412 9.778 1.00 0.00 N ATOM 499 NH2 ARG A 37 150.290 3.616 10.478 1.00 0.00 N ATOM 0 H ARG A 37 148.551 3.673 3.931 1.00 0.00 H new ATOM 0 HA ARG A 37 148.943 4.414 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.095 3.693 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.303 3.972 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.830 1.646 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.383 1.580 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.658 2.095 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.770 0.787 7.571 1.00 0.00 H new ATOM 0 HE ARG A 37 151.238 3.018 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 147.998 1.852 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.002 2.608 10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 37 151.226 3.985 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 37 149.818 3.808 11.362 1.00 0.00 H new ATOM 513 N TRP A 38 150.083 5.936 4.055 1.00 0.00 N ATOM 514 CA TRP A 38 150.382 7.248 3.491 1.00 0.00 C ATOM 515 C TRP A 38 149.644 7.456 2.172 1.00 0.00 C ATOM 516 O TRP A 38 149.633 6.579 1.308 1.00 0.00 O ATOM 517 CB TRP A 38 151.892 7.404 3.276 1.00 0.00 C ATOM 518 CG TRP A 38 152.262 8.620 2.479 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.533 9.868 2.963 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.396 8.703 1.055 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.827 10.721 1.926 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.751 10.030 0.745 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.252 7.784 0.013 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.962 10.458 -0.563 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.463 8.210 -1.286 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.814 9.536 -1.565 1.00 0.00 C ATOM 0 H TRP A 38 150.287 5.153 3.434 1.00 0.00 H new ATOM 0 HA TRP A 38 150.043 8.005 4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.386 7.452 4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.272 6.517 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.518 10.144 4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 38 153.064 11.709 2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.981 6.759 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.233 11.481 -0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.355 7.507 -2.099 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.971 9.838 -2.590 1.00 0.00 H new ATOM 537 N ILE A 39 149.036 8.627 2.024 1.00 0.00 N ATOM 538 CA ILE A 39 148.303 8.964 0.811 1.00 0.00 C ATOM 539 C ILE A 39 148.816 10.273 0.222 1.00 0.00 C ATOM 540 O ILE A 39 148.549 11.350 0.755 1.00 0.00 O ATOM 541 CB ILE A 39 146.790 9.092 1.081 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.274 7.856 1.822 1.00 0.00 C ATOM 543 CG2 ILE A 39 146.032 9.287 -0.224 1.00 0.00 C ATOM 544 CD1 ILE A 39 145.101 8.145 2.733 1.00 0.00 C ATOM 0 H ILE A 39 149.037 9.361 2.732 1.00 0.00 H new ATOM 0 HA ILE A 39 148.464 8.153 0.101 1.00 0.00 H new ATOM 0 HB ILE A 39 146.623 9.966 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.980 7.101 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 39 147.086 7.430 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.966 9.376 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.382 10.194 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.204 8.431 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.787 7.225 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 39 145.396 8.877 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.273 8.542 2.145 1.00 0.00 H new ATOM 556 N GLY A 40 149.562 10.175 -0.874 1.00 0.00 N ATOM 557 CA GLY A 40 150.105 11.364 -1.504 1.00 0.00 C ATOM 558 C GLY A 40 150.637 11.098 -2.898 1.00 0.00 C ATOM 559 O GLY A 40 150.426 10.024 -3.459 1.00 0.00 O ATOM 0 H GLY A 40 149.799 9.297 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.330 12.129 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.907 11.764 -0.884 1.00 0.00 H new ATOM 563 N GLN A 41 151.328 12.086 -3.457 1.00 0.00 N ATOM 564 CA GLN A 41 151.895 11.967 -4.793 1.00 0.00 C ATOM 565 C GLN A 41 153.376 12.344 -4.788 1.00 0.00 C ATOM 566 O GLN A 41 153.728 13.492 -4.515 1.00 0.00 O ATOM 567 CB GLN A 41 151.130 12.866 -5.763 1.00 0.00 C ATOM 568 CG GLN A 41 149.620 12.715 -5.668 1.00 0.00 C ATOM 569 CD GLN A 41 148.895 14.042 -5.778 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.272 14.279 -6.925 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.894 14.842 -4.843 1.00 0.00 N flip ATOM 0 H GLN A 41 151.509 12.981 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 41 151.806 10.930 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.396 13.905 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.446 12.640 -6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.274 12.049 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.364 12.243 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 41 149.387 14.617 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 41 148.400 15.730 -4.932 1.00 0.00 H new ATOM 580 N PRO A 42 154.268 11.383 -5.087 1.00 0.00 N ATOM 581 CA PRO A 42 155.715 11.629 -5.110 1.00 0.00 C ATOM 582 C PRO A 42 156.096 12.747 -6.075 1.00 0.00 C ATOM 583 O PRO A 42 155.335 13.080 -6.984 1.00 0.00 O ATOM 584 CB PRO A 42 156.302 10.294 -5.578 1.00 0.00 C ATOM 585 CG PRO A 42 155.260 9.283 -5.249 1.00 0.00 C ATOM 586 CD PRO A 42 153.945 9.985 -5.423 1.00 0.00 C ATOM 0 HA PRO A 42 156.087 11.952 -4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.515 10.309 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.241 10.075 -5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.332 8.418 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.377 8.918 -4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.569 9.891 -6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.180 9.578 -4.762 1.00 0.00 H new ATOM 594 N PRO A 43 157.285 13.342 -5.890 1.00 0.00 N ATOM 595 CA PRO A 43 157.767 14.428 -6.748 1.00 0.00 C ATOM 596 C PRO A 43 158.173 13.935 -8.132 1.00 0.00 C ATOM 597 O PRO A 43 159.339 13.621 -8.371 1.00 0.00 O ATOM 598 CB PRO A 43 158.985 14.962 -5.996 1.00 0.00 C ATOM 599 CG PRO A 43 159.475 13.802 -5.200 1.00 0.00 C ATOM 600 CD PRO A 43 158.254 13.005 -4.829 1.00 0.00 C ATOM 0 HA PRO A 43 156.996 15.178 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.750 15.321 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.717 15.800 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.173 13.198 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 43 160.007 14.137 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.465 11.936 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.880 13.280 -3.843 1.00 0.00 H new ATOM 608 N GLY A 44 157.207 13.870 -9.040 1.00 0.00 N ATOM 609 CA GLY A 44 157.488 13.414 -10.387 1.00 0.00 C ATOM 610 C GLY A 44 156.252 12.910 -11.101 1.00 0.00 C ATOM 611 O GLY A 44 155.972 13.313 -12.231 1.00 0.00 O ATOM 0 H GLY A 44 156.235 14.125 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.926 14.232 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.231 12.618 -10.349 1.00 0.00 H new ATOM 615 N LEU A 45 155.510 12.027 -10.443 1.00 0.00 N ATOM 616 CA LEU A 45 154.295 11.469 -11.028 1.00 0.00 C ATOM 617 C LEU A 45 153.086 11.765 -10.150 1.00 0.00 C ATOM 618 O LEU A 45 152.975 11.248 -9.038 1.00 0.00 O ATOM 619 CB LEU A 45 154.444 9.959 -11.218 1.00 0.00 C ATOM 620 CG LEU A 45 154.988 9.203 -10.004 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.629 7.726 -10.087 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.495 9.388 -9.894 1.00 0.00 C ATOM 0 H LEU A 45 155.727 11.683 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 45 154.140 11.937 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.471 9.543 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.105 9.779 -12.065 1.00 0.00 H new ATOM 0 HG LEU A 45 154.527 9.614 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 45 155.025 7.206 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.545 7.616 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 45 155.060 7.297 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.866 8.844 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.975 9.005 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.724 10.448 -9.783 1.00 0.00 H new ATOM 634 N ASN A 46 152.178 12.595 -10.653 1.00 0.00 N ATOM 635 CA ASN A 46 150.981 12.946 -9.903 1.00 0.00 C ATOM 636 C ASN A 46 150.007 11.773 -9.876 1.00 0.00 C ATOM 637 O ASN A 46 149.382 11.447 -10.884 1.00 0.00 O ATOM 638 CB ASN A 46 150.308 14.173 -10.523 1.00 0.00 C ATOM 639 CG ASN A 46 149.087 14.620 -9.744 1.00 0.00 C ATOM 640 OD1 ASN A 46 149.139 15.592 -8.989 1.00 0.00 O ATOM 641 ND2 ASN A 46 147.978 13.912 -9.923 1.00 0.00 N ATOM 0 H ASN A 46 152.249 13.034 -11.571 1.00 0.00 H new ATOM 0 HA ASN A 46 151.271 13.183 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.025 14.992 -10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 46 150.017 13.945 -11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.125 14.166 -9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.979 13.114 -10.558 1.00 0.00 H new ATOM 648 N GLU A 47 149.886 11.143 -8.714 1.00 0.00 N ATOM 649 CA GLU A 47 148.991 10.003 -8.548 1.00 0.00 C ATOM 650 C GLU A 47 148.795 9.679 -7.072 1.00 0.00 C ATOM 651 O GLU A 47 149.757 9.386 -6.360 1.00 0.00 O ATOM 652 CB GLU A 47 149.544 8.780 -9.283 1.00 0.00 C ATOM 653 CG GLU A 47 151.053 8.631 -9.175 1.00 0.00 C ATOM 654 CD GLU A 47 151.612 7.635 -10.172 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.611 7.942 -11.382 1.00 0.00 O ATOM 656 OE2 GLU A 47 152.051 6.547 -9.742 1.00 0.00 O ATOM 0 H GLU A 47 150.397 11.403 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 47 148.024 10.266 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 149.070 7.883 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.269 8.845 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.523 9.602 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.312 8.313 -8.165 1.00 0.00 H new ATOM 663 N VAL A 48 147.550 9.722 -6.615 1.00 0.00 N ATOM 664 CA VAL A 48 147.242 9.421 -5.223 1.00 0.00 C ATOM 665 C VAL A 48 147.544 7.961 -4.911 1.00 0.00 C ATOM 666 O VAL A 48 146.763 7.070 -5.245 1.00 0.00 O ATOM 667 CB VAL A 48 145.766 9.714 -4.894 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.506 9.548 -3.405 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.379 11.112 -5.356 1.00 0.00 C ATOM 0 H VAL A 48 146.739 9.962 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 48 147.871 10.065 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 48 145.147 8.995 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.458 9.759 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.738 8.525 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.136 10.240 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.333 11.299 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 146.005 11.848 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.522 11.192 -6.434 1.00 0.00 H new ATOM 679 N LEU A 49 148.686 7.722 -4.274 1.00 0.00 N ATOM 680 CA LEU A 49 149.095 6.369 -3.922 1.00 0.00 C ATOM 681 C LEU A 49 148.953 6.132 -2.425 1.00 0.00 C ATOM 682 O LEU A 49 149.654 6.746 -1.620 1.00 0.00 O ATOM 683 CB LEU A 49 150.541 6.122 -4.355 1.00 0.00 C ATOM 684 CG LEU A 49 150.814 6.327 -5.847 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.298 6.555 -6.090 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.318 5.131 -6.647 1.00 0.00 C ATOM 0 H LEU A 49 149.344 8.449 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 49 148.443 5.670 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.193 6.786 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.815 5.101 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 49 150.272 7.212 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.474 6.699 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.624 7.441 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.861 5.688 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.520 5.293 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.833 4.231 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.245 5.012 -6.496 1.00 0.00 H new ATOM 698 N ALA A 50 148.042 5.240 -2.056 1.00 0.00 N ATOM 699 CA ALA A 50 147.812 4.926 -0.654 1.00 0.00 C ATOM 700 C ALA A 50 148.671 3.747 -0.208 1.00 0.00 C ATOM 701 O ALA A 50 148.497 2.626 -0.684 1.00 0.00 O ATOM 702 CB ALA A 50 146.339 4.630 -0.414 1.00 0.00 C ATOM 0 H ALA A 50 147.452 4.723 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 50 148.097 5.795 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.182 4.397 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.744 5.502 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.035 3.779 -1.023 1.00 0.00 H new ATOM 708 N GLY A 51 149.597 4.008 0.708 1.00 0.00 N ATOM 709 CA GLY A 51 150.468 2.958 1.202 1.00 0.00 C ATOM 710 C GLY A 51 149.713 1.900 1.982 1.00 0.00 C ATOM 711 O GLY A 51 149.055 2.203 2.976 1.00 0.00 O ATOM 0 H GLY A 51 149.760 4.928 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.980 2.489 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.236 3.397 1.839 1.00 0.00 H new ATOM 715 N LEU A 52 149.807 0.654 1.530 1.00 0.00 N ATOM 716 CA LEU A 52 149.126 -0.452 2.192 1.00 0.00 C ATOM 717 C LEU A 52 150.130 -1.409 2.827 1.00 0.00 C ATOM 718 O LEU A 52 151.050 -1.890 2.165 1.00 0.00 O ATOM 719 CB LEU A 52 148.244 -1.207 1.196 1.00 0.00 C ATOM 720 CG LEU A 52 147.058 -0.410 0.649 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.479 -1.094 -0.580 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.992 -0.242 1.721 1.00 0.00 C ATOM 0 H LEU A 52 150.348 0.385 0.708 1.00 0.00 H new ATOM 0 HA LEU A 52 148.498 -0.037 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.862 -1.530 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.865 -2.108 1.679 1.00 0.00 H new ATOM 0 HG LEU A 52 147.410 0.579 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.636 -0.514 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.245 -1.164 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.140 -2.095 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.155 0.327 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.642 -1.223 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.414 0.290 2.573 1.00 0.00 H new ATOM 734 N GLU A 53 149.947 -1.681 4.115 1.00 0.00 N ATOM 735 CA GLU A 53 150.836 -2.581 4.842 1.00 0.00 C ATOM 736 C GLU A 53 150.262 -3.993 4.885 1.00 0.00 C ATOM 737 O GLU A 53 149.252 -4.244 5.543 1.00 0.00 O ATOM 738 CB GLU A 53 151.064 -2.068 6.264 1.00 0.00 C ATOM 739 CG GLU A 53 152.012 -2.933 7.078 1.00 0.00 C ATOM 740 CD GLU A 53 151.582 -3.065 8.526 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.850 -2.178 9.012 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.978 -4.057 9.174 1.00 0.00 O ATOM 0 H GLU A 53 149.191 -1.291 4.677 1.00 0.00 H new ATOM 0 HA GLU A 53 151.791 -2.611 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.461 -1.054 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.105 -2.011 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.070 -3.924 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.014 -2.505 7.038 1.00 0.00 H new ATOM 749 N LEU A 54 150.912 -4.913 4.179 1.00 0.00 N ATOM 750 CA LEU A 54 150.466 -6.301 4.137 1.00 0.00 C ATOM 751 C LEU A 54 150.720 -6.995 5.472 1.00 0.00 C ATOM 752 O LEU A 54 151.833 -6.966 5.996 1.00 0.00 O ATOM 753 CB LEU A 54 151.180 -7.055 3.014 1.00 0.00 C ATOM 754 CG LEU A 54 151.124 -6.379 1.643 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.325 -6.780 0.802 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.829 -6.734 0.928 1.00 0.00 C ATOM 0 H LEU A 54 151.749 -4.722 3.628 1.00 0.00 H new ATOM 0 HA LEU A 54 149.393 -6.305 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.225 -7.189 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.743 -8.050 2.930 1.00 0.00 H new ATOM 0 HG LEU A 54 151.152 -5.299 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.269 -6.290 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.241 -6.477 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.327 -7.861 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.805 -6.245 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.772 -7.814 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 54 148.980 -6.398 1.524 1.00 0.00 H new ATOM 768 N GLU A 55 149.679 -7.618 6.016 1.00 0.00 N ATOM 769 CA GLU A 55 149.791 -8.320 7.289 1.00 0.00 C ATOM 770 C GLU A 55 150.792 -9.466 7.192 1.00 0.00 C ATOM 771 O GLU A 55 151.461 -9.804 8.168 1.00 0.00 O ATOM 772 CB GLU A 55 148.424 -8.856 7.721 1.00 0.00 C ATOM 773 CG GLU A 55 147.393 -7.766 7.967 1.00 0.00 C ATOM 774 CD GLU A 55 146.208 -8.256 8.774 1.00 0.00 C ATOM 775 OE1 GLU A 55 146.424 -8.798 9.878 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.061 -8.098 8.301 1.00 0.00 O ATOM 0 H GLU A 55 148.750 -7.651 5.596 1.00 0.00 H new ATOM 0 HA GLU A 55 150.149 -7.612 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.049 -9.533 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.544 -9.443 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.866 -6.935 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.042 -7.381 7.010 1.00 0.00 H new ATOM 783 N ASP A 56 150.887 -10.062 6.007 1.00 0.00 N ATOM 784 CA ASP A 56 151.807 -11.171 5.782 1.00 0.00 C ATOM 785 C ASP A 56 153.176 -10.660 5.344 1.00 0.00 C ATOM 786 O ASP A 56 153.277 -9.692 4.590 1.00 0.00 O ATOM 787 CB ASP A 56 151.242 -12.122 4.724 1.00 0.00 C ATOM 788 CG ASP A 56 150.016 -12.867 5.213 1.00 0.00 C ATOM 789 OD1 ASP A 56 149.315 -12.338 6.102 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.756 -13.978 4.706 1.00 0.00 O ATOM 0 H ASP A 56 150.339 -9.796 5.189 1.00 0.00 H new ATOM 0 HA ASP A 56 151.924 -11.711 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.986 -11.555 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.010 -12.840 4.438 1.00 0.00 H new ATOM 795 N GLU A 57 154.228 -11.318 5.821 1.00 0.00 N ATOM 796 CA GLU A 57 155.591 -10.931 5.478 1.00 0.00 C ATOM 797 C GLU A 57 156.010 -11.538 4.143 1.00 0.00 C ATOM 798 O GLU A 57 156.389 -12.708 4.074 1.00 0.00 O ATOM 799 CB GLU A 57 156.560 -11.369 6.578 1.00 0.00 C ATOM 800 CG GLU A 57 156.757 -10.326 7.666 1.00 0.00 C ATOM 801 CD GLU A 57 158.201 -10.219 8.116 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.090 -10.120 7.244 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.443 -10.236 9.341 1.00 0.00 O ATOM 0 H GLU A 57 154.162 -12.121 6.446 1.00 0.00 H new ATOM 0 HA GLU A 57 155.622 -9.845 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.191 -12.289 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.526 -11.600 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.422 -9.356 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.131 -10.577 8.522 1.00 0.00 H new ATOM 810 N CYS A 58 155.939 -10.737 3.086 1.00 0.00 N ATOM 811 CA CYS A 58 156.312 -11.196 1.753 1.00 0.00 C ATOM 812 C CYS A 58 157.706 -10.705 1.378 1.00 0.00 C ATOM 813 O CYS A 58 157.990 -9.508 1.434 1.00 0.00 O ATOM 814 CB CYS A 58 155.293 -10.710 0.720 1.00 0.00 C ATOM 815 SG CYS A 58 154.970 -11.892 -0.610 1.00 0.00 S ATOM 0 H CYS A 58 155.627 -9.767 3.126 1.00 0.00 H new ATOM 0 HA CYS A 58 156.321 -12.286 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.355 -10.486 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.650 -9.777 0.284 1.00 0.00 H new ATOM 0 HG CYS A 58 154.095 -11.393 -1.431 1.00 0.00 H new ATOM 821 N ALA A 59 158.573 -11.637 0.996 1.00 0.00 N ATOM 822 CA ALA A 59 159.939 -11.299 0.612 1.00 0.00 C ATOM 823 C ALA A 59 159.962 -10.500 -0.687 1.00 0.00 C ATOM 824 O ALA A 59 159.391 -10.918 -1.695 1.00 0.00 O ATOM 825 CB ALA A 59 160.774 -12.562 0.473 1.00 0.00 C ATOM 0 H ALA A 59 158.354 -12.632 0.944 1.00 0.00 H new ATOM 0 HA ALA A 59 160.369 -10.677 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.791 -12.296 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.793 -13.093 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.338 -13.204 -0.292 1.00 0.00 H new ATOM 831 N GLY A 60 160.626 -9.350 -0.656 1.00 0.00 N ATOM 832 CA GLY A 60 160.712 -8.510 -1.837 1.00 0.00 C ATOM 833 C GLY A 60 159.849 -7.269 -1.730 1.00 0.00 C ATOM 834 O GLY A 60 159.386 -6.737 -2.739 1.00 0.00 O ATOM 0 H GLY A 60 161.107 -8.984 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.749 -8.215 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.408 -9.086 -2.711 1.00 0.00 H new ATOM 838 N CYS A 61 159.632 -6.805 -0.503 1.00 0.00 N ATOM 839 CA CYS A 61 158.819 -5.618 -0.266 1.00 0.00 C ATOM 840 C CYS A 61 159.616 -4.552 0.480 1.00 0.00 C ATOM 841 O CYS A 61 160.817 -4.705 0.703 1.00 0.00 O ATOM 842 CB CYS A 61 157.564 -5.983 0.530 1.00 0.00 C ATOM 843 SG CYS A 61 156.594 -7.324 -0.199 1.00 0.00 S ATOM 0 H CYS A 61 160.008 -7.234 0.343 1.00 0.00 H new ATOM 0 HA CYS A 61 158.522 -5.213 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.857 -6.268 1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.933 -5.099 0.619 1.00 0.00 H new ATOM 0 HG CYS A 61 157.092 -8.468 0.166 1.00 0.00 H new ATOM 849 N THR A 62 158.940 -3.474 0.862 1.00 0.00 N ATOM 850 CA THR A 62 159.585 -2.383 1.584 1.00 0.00 C ATOM 851 C THR A 62 159.088 -2.314 3.024 1.00 0.00 C ATOM 852 O THR A 62 158.277 -3.134 3.451 1.00 0.00 O ATOM 853 CB THR A 62 159.322 -1.052 0.877 1.00 0.00 C ATOM 854 OG1 THR A 62 157.934 -0.864 0.664 1.00 0.00 O ATOM 855 CG2 THR A 62 160.011 -0.941 -0.466 1.00 0.00 C ATOM 0 H THR A 62 157.946 -3.332 0.684 1.00 0.00 H new ATOM 0 HA THR A 62 160.658 -2.574 1.599 1.00 0.00 H new ATOM 0 HB THR A 62 159.728 -0.288 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 62 157.775 0.042 0.327 1.00 0.00 H new ATOM 0 HG21 THR A 62 159.783 0.027 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.089 -1.033 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.658 -1.736 -1.123 1.00 0.00 H new ATOM 863 N ASP A 63 159.579 -1.328 3.767 1.00 0.00 N ATOM 864 CA ASP A 63 159.185 -1.150 5.160 1.00 0.00 C ATOM 865 C ASP A 63 158.586 0.236 5.382 1.00 0.00 C ATOM 866 O ASP A 63 158.719 0.815 6.460 1.00 0.00 O ATOM 867 CB ASP A 63 160.389 -1.351 6.082 1.00 0.00 C ATOM 868 CG ASP A 63 161.572 -0.489 5.687 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.241 -0.822 4.686 1.00 0.00 O ATOM 870 OD2 ASP A 63 161.828 0.519 6.377 1.00 0.00 O ATOM 0 H ASP A 63 160.251 -0.640 3.428 1.00 0.00 H new ATOM 0 HA ASP A 63 158.427 -1.897 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.100 -1.119 7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.685 -2.400 6.064 1.00 0.00 H new ATOM 875 N GLY A 64 157.927 0.761 4.354 1.00 0.00 N ATOM 876 CA GLY A 64 157.315 2.073 4.457 1.00 0.00 C ATOM 877 C GLY A 64 158.031 3.113 3.615 1.00 0.00 C ATOM 878 O GLY A 64 158.120 4.278 4.002 1.00 0.00 O ATOM 0 H GLY A 64 157.806 0.301 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.273 2.010 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.316 2.390 5.500 1.00 0.00 H new ATOM 882 N THR A 65 158.540 2.691 2.462 1.00 0.00 N ATOM 883 CA THR A 65 159.250 3.594 1.565 1.00 0.00 C ATOM 884 C THR A 65 158.857 3.338 0.113 1.00 0.00 C ATOM 885 O THR A 65 158.795 2.191 -0.331 1.00 0.00 O ATOM 886 CB THR A 65 160.762 3.429 1.732 1.00 0.00 C ATOM 887 OG1 THR A 65 161.140 2.074 1.562 1.00 0.00 O ATOM 888 CG2 THR A 65 161.267 3.880 3.085 1.00 0.00 C ATOM 0 H THR A 65 158.474 1.730 2.127 1.00 0.00 H new ATOM 0 HA THR A 65 158.972 4.616 1.824 1.00 0.00 H new ATOM 0 HB THR A 65 161.208 4.063 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.110 1.989 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.346 3.736 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.034 4.935 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.785 3.294 3.867 1.00 0.00 H new ATOM 896 N PHE A 66 158.592 4.413 -0.621 1.00 0.00 N ATOM 897 CA PHE A 66 158.205 4.306 -2.023 1.00 0.00 C ATOM 898 C PHE A 66 159.276 4.900 -2.931 1.00 0.00 C ATOM 899 O PHE A 66 159.440 6.118 -3.001 1.00 0.00 O ATOM 900 CB PHE A 66 156.869 5.014 -2.261 1.00 0.00 C ATOM 901 CG PHE A 66 156.256 4.705 -3.597 1.00 0.00 C ATOM 902 CD1 PHE A 66 156.160 3.397 -4.044 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.777 5.724 -4.405 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.596 3.110 -5.272 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.213 5.442 -5.635 1.00 0.00 C ATOM 906 CZ PHE A 66 155.122 4.134 -6.070 1.00 0.00 C ATOM 0 H PHE A 66 158.638 5.369 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 66 158.096 3.248 -2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.170 4.728 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 66 157.018 6.091 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.530 2.593 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.845 6.749 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.526 2.086 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.843 6.244 -6.256 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.682 3.912 -7.031 1.00 0.00 H new ATOM 916 N ARG A 67 160.003 4.031 -3.626 1.00 0.00 N ATOM 917 CA ARG A 67 161.060 4.468 -4.531 1.00 0.00 C ATOM 918 C ARG A 67 162.112 5.285 -3.786 1.00 0.00 C ATOM 919 O ARG A 67 162.579 6.313 -4.279 1.00 0.00 O ATOM 920 CB ARG A 67 160.472 5.294 -5.677 1.00 0.00 C ATOM 921 CG ARG A 67 159.402 4.559 -6.468 1.00 0.00 C ATOM 922 CD ARG A 67 158.879 5.405 -7.619 1.00 0.00 C ATOM 923 NE ARG A 67 159.730 5.304 -8.804 1.00 0.00 N ATOM 924 CZ ARG A 67 160.781 6.089 -9.035 1.00 0.00 C ATOM 925 NH1 ARG A 67 161.122 7.033 -8.166 1.00 0.00 N ATOM 926 NH2 ARG A 67 161.496 5.927 -10.139 1.00 0.00 N ATOM 0 H ARG A 67 159.879 3.020 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 67 161.540 3.580 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.046 6.212 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.276 5.587 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.812 3.627 -6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.577 4.293 -5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.867 5.088 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.818 6.447 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 67 159.505 4.589 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 67 160.578 7.162 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 67 161.928 7.629 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 67 161.241 5.202 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 67 162.301 6.527 -10.318 1.00 0.00 H new ATOM 940 N GLY A 68 162.481 4.821 -2.598 1.00 0.00 N ATOM 941 CA GLY A 68 163.474 5.520 -1.804 1.00 0.00 C ATOM 942 C GLY A 68 162.913 6.760 -1.135 1.00 0.00 C ATOM 943 O GLY A 68 163.640 7.721 -0.885 1.00 0.00 O ATOM 0 H GLY A 68 162.110 3.973 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.866 4.846 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.312 5.802 -2.442 1.00 0.00 H new ATOM 947 N THR A 69 161.616 6.737 -0.846 1.00 0.00 N ATOM 948 CA THR A 69 160.956 7.867 -0.202 1.00 0.00 C ATOM 949 C THR A 69 160.140 7.406 1.001 1.00 0.00 C ATOM 950 O THR A 69 158.983 7.009 0.864 1.00 0.00 O ATOM 951 CB THR A 69 160.050 8.591 -1.201 1.00 0.00 C ATOM 952 OG1 THR A 69 160.750 8.872 -2.399 1.00 0.00 O ATOM 953 CG2 THR A 69 159.500 9.897 -0.671 1.00 0.00 C ATOM 0 H THR A 69 161.001 5.948 -1.047 1.00 0.00 H new ATOM 0 HA THR A 69 161.725 8.556 0.146 1.00 0.00 H new ATOM 0 HB THR A 69 159.217 7.912 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.617 8.139 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.866 10.359 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.912 9.707 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.325 10.568 -0.430 1.00 0.00 H new ATOM 961 N ARG A 70 160.751 7.462 2.180 1.00 0.00 N ATOM 962 CA ARG A 70 160.082 7.049 3.408 1.00 0.00 C ATOM 963 C ARG A 70 158.900 7.963 3.718 1.00 0.00 C ATOM 964 O ARG A 70 159.052 9.181 3.807 1.00 0.00 O ATOM 965 CB ARG A 70 161.067 7.056 4.578 1.00 0.00 C ATOM 966 CG ARG A 70 160.519 6.409 5.839 1.00 0.00 C ATOM 967 CD ARG A 70 161.329 6.799 7.064 1.00 0.00 C ATOM 968 NE ARG A 70 162.742 6.459 6.918 1.00 0.00 N ATOM 969 CZ ARG A 70 163.611 6.450 7.926 1.00 0.00 C ATOM 970 NH1 ARG A 70 163.216 6.760 9.154 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.877 6.127 7.706 1.00 0.00 N ATOM 0 H ARG A 70 161.708 7.789 2.311 1.00 0.00 H new ATOM 0 HA ARG A 70 159.707 6.036 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.977 6.536 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.347 8.086 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.480 6.706 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.528 5.325 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.230 7.871 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.924 6.295 7.942 1.00 0.00 H new ATOM 0 HE ARG A 70 163.083 6.214 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 70 162.242 7.007 9.329 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.886 6.751 9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 70 165.185 5.885 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 70 165.543 6.120 8.478 1.00 0.00 H new ATOM 985 N TYR A 71 157.724 7.366 3.883 1.00 0.00 N ATOM 986 CA TYR A 71 156.516 8.124 4.185 1.00 0.00 C ATOM 987 C TYR A 71 156.011 7.805 5.588 1.00 0.00 C ATOM 988 O TYR A 71 155.523 8.684 6.298 1.00 0.00 O ATOM 989 CB TYR A 71 155.426 7.819 3.156 1.00 0.00 C ATOM 990 CG TYR A 71 155.667 8.463 1.809 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.992 9.810 1.710 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.569 7.724 0.637 1.00 0.00 C ATOM 993 CE1 TYR A 71 156.212 10.402 0.481 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.787 8.309 -0.596 1.00 0.00 C ATOM 995 CZ TYR A 71 156.109 9.648 -0.669 1.00 0.00 C ATOM 996 OH TYR A 71 156.328 10.234 -1.894 1.00 0.00 O ATOM 0 H TYR A 71 157.582 6.358 3.812 1.00 0.00 H new ATOM 0 HA TYR A 71 156.762 9.185 4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.353 6.739 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.466 8.158 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 71 156.074 10.404 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.318 6.675 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.464 11.451 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.706 7.720 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 71 156.687 9.567 -2.516 1.00 0.00 H new ATOM 1006 N PHE A 72 156.134 6.541 5.981 1.00 0.00 N ATOM 1007 CA PHE A 72 155.691 6.104 7.299 1.00 0.00 C ATOM 1008 C PHE A 72 156.581 4.984 7.826 1.00 0.00 C ATOM 1009 O PHE A 72 157.396 4.427 7.090 1.00 0.00 O ATOM 1010 CB PHE A 72 154.237 5.631 7.242 1.00 0.00 C ATOM 1011 CG PHE A 72 153.990 4.570 6.207 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.726 4.916 4.891 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.023 3.228 6.551 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.499 3.942 3.937 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.796 2.250 5.600 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.533 2.608 4.292 1.00 0.00 C ATOM 0 H PHE A 72 156.537 5.802 5.405 1.00 0.00 H new ATOM 0 HA PHE A 72 155.762 6.953 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.950 5.246 8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.593 6.486 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.697 5.958 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.228 2.943 7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.295 4.224 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.824 1.207 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.354 1.846 3.548 1.00 0.00 H new ATOM 1026 N THR A 73 156.421 4.658 9.104 1.00 0.00 N ATOM 1027 CA THR A 73 157.213 3.604 9.729 1.00 0.00 C ATOM 1028 C THR A 73 156.352 2.379 10.019 1.00 0.00 C ATOM 1029 O THR A 73 155.488 2.407 10.896 1.00 0.00 O ATOM 1030 CB THR A 73 157.849 4.113 11.023 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.357 5.424 10.851 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.984 3.242 11.515 1.00 0.00 C ATOM 0 H THR A 73 155.751 5.108 9.727 1.00 0.00 H new ATOM 0 HA THR A 73 158.002 3.316 9.035 1.00 0.00 H new ATOM 0 HB THR A 73 157.050 4.093 11.764 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.758 5.732 11.690 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.390 3.660 12.436 1.00 0.00 H new ATOM 0 HG22 THR A 73 158.613 2.235 11.706 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.767 3.203 10.758 1.00 0.00 H new ATOM 1040 N CYS A 74 156.595 1.303 9.277 1.00 0.00 N ATOM 1041 CA CYS A 74 155.842 0.066 9.456 1.00 0.00 C ATOM 1042 C CYS A 74 156.782 -1.131 9.560 1.00 0.00 C ATOM 1043 O CYS A 74 158.003 -0.976 9.551 1.00 0.00 O ATOM 1044 CB CYS A 74 154.870 -0.135 8.292 1.00 0.00 C ATOM 1045 SG CYS A 74 153.244 0.612 8.553 1.00 0.00 S ATOM 0 H CYS A 74 157.306 1.262 8.547 1.00 0.00 H new ATOM 0 HA CYS A 74 155.276 0.144 10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.310 0.285 7.388 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.744 -1.204 8.118 1.00 0.00 H new ATOM 0 HG CYS A 74 153.054 1.554 7.678 1.00 0.00 H new ATOM 1051 N ALA A 75 156.205 -2.324 9.660 1.00 0.00 N ATOM 1052 CA ALA A 75 156.991 -3.546 9.768 1.00 0.00 C ATOM 1053 C ALA A 75 157.870 -3.743 8.538 1.00 0.00 C ATOM 1054 O ALA A 75 157.664 -3.105 7.506 1.00 0.00 O ATOM 1055 CB ALA A 75 156.076 -4.746 9.962 1.00 0.00 C ATOM 0 H ALA A 75 155.196 -2.470 9.668 1.00 0.00 H new ATOM 0 HA ALA A 75 157.642 -3.455 10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 75 156.676 -5.652 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 75 155.494 -4.616 10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.402 -4.831 9.110 1.00 0.00 H new ATOM 1061 N LEU A 76 158.852 -4.630 8.655 1.00 0.00 N ATOM 1062 CA LEU A 76 159.764 -4.911 7.552 1.00 0.00 C ATOM 1063 C LEU A 76 159.147 -5.906 6.577 1.00 0.00 C ATOM 1064 O LEU A 76 158.533 -6.893 6.985 1.00 0.00 O ATOM 1065 CB LEU A 76 161.090 -5.456 8.085 1.00 0.00 C ATOM 1066 CG LEU A 76 162.125 -4.392 8.458 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.974 -4.861 9.630 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.002 -4.060 7.261 1.00 0.00 C ATOM 0 H LEU A 76 159.037 -5.167 9.502 1.00 0.00 H new ATOM 0 HA LEU A 76 159.951 -3.978 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.887 -6.067 8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.523 -6.114 7.332 1.00 0.00 H new ATOM 0 HG LEU A 76 161.597 -3.487 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.704 -4.092 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.333 -5.048 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.494 -5.780 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.732 -3.302 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.522 -4.959 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.381 -3.681 6.449 1.00 0.00 H new ATOM 1080 N LYS A 77 159.313 -5.643 5.285 1.00 0.00 N ATOM 1081 CA LYS A 77 158.772 -6.517 4.250 1.00 0.00 C ATOM 1082 C LYS A 77 157.252 -6.603 4.351 1.00 0.00 C ATOM 1083 O LYS A 77 156.665 -7.666 4.149 1.00 0.00 O ATOM 1084 CB LYS A 77 159.383 -7.915 4.364 1.00 0.00 C ATOM 1085 CG LYS A 77 160.885 -7.943 4.138 1.00 0.00 C ATOM 1086 CD LYS A 77 161.226 -7.877 2.657 1.00 0.00 C ATOM 1087 CE LYS A 77 162.671 -7.456 2.437 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.874 -6.860 1.088 1.00 0.00 N ATOM 0 H LYS A 77 159.818 -4.831 4.929 1.00 0.00 H new ATOM 0 HA LYS A 77 159.030 -6.094 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.165 -8.318 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.903 -8.572 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.348 -7.104 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.302 -8.853 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.056 -8.852 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.560 -7.171 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.959 -6.734 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.324 -8.321 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.833 -6.463 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 162.754 -7.595 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.176 -6.104 0.934 1.00 0.00 H new ATOM 1102 N LYS A 78 156.621 -5.477 4.666 1.00 0.00 N ATOM 1103 CA LYS A 78 155.169 -5.426 4.795 1.00 0.00 C ATOM 1104 C LYS A 78 154.633 -4.057 4.383 1.00 0.00 C ATOM 1105 O LYS A 78 153.726 -3.518 5.017 1.00 0.00 O ATOM 1106 CB LYS A 78 154.754 -5.738 6.234 1.00 0.00 C ATOM 1107 CG LYS A 78 155.238 -7.092 6.726 1.00 0.00 C ATOM 1108 CD LYS A 78 154.904 -7.305 8.194 1.00 0.00 C ATOM 1109 CE LYS A 78 153.702 -8.221 8.365 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.966 -7.941 9.629 1.00 0.00 N ATOM 0 H LYS A 78 157.091 -4.588 4.837 1.00 0.00 H new ATOM 0 HA LYS A 78 154.743 -6.177 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.143 -4.961 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.667 -5.702 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.780 -7.881 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.316 -7.168 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.765 -7.734 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.700 -6.343 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.028 -8.097 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.033 -9.259 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.116 -8.539 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.581 -8.148 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.686 -6.940 9.653 1.00 0.00 H new ATOM 1124 N ALA A 79 155.201 -3.502 3.317 1.00 0.00 N ATOM 1125 CA ALA A 79 154.780 -2.198 2.821 1.00 0.00 C ATOM 1126 C ALA A 79 154.611 -2.214 1.306 1.00 0.00 C ATOM 1127 O ALA A 79 155.588 -2.325 0.564 1.00 0.00 O ATOM 1128 CB ALA A 79 155.783 -1.130 3.231 1.00 0.00 C ATOM 0 H ALA A 79 155.953 -3.935 2.781 1.00 0.00 H new ATOM 0 HA ALA A 79 153.812 -1.963 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.457 -0.161 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.851 -1.093 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.761 -1.371 2.815 1.00 0.00 H new ATOM 1134 N LEU A 80 153.367 -2.104 0.853 1.00 0.00 N ATOM 1135 CA LEU A 80 153.069 -2.107 -0.575 1.00 0.00 C ATOM 1136 C LEU A 80 152.263 -0.873 -0.964 1.00 0.00 C ATOM 1137 O LEU A 80 151.180 -0.634 -0.430 1.00 0.00 O ATOM 1138 CB LEU A 80 152.301 -3.375 -0.954 1.00 0.00 C ATOM 1139 CG LEU A 80 151.870 -3.458 -2.419 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.080 -3.657 -3.320 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.867 -4.584 -2.615 1.00 0.00 C ATOM 0 H LEU A 80 152.548 -2.012 1.454 1.00 0.00 H new ATOM 0 HA LEU A 80 154.013 -2.087 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.923 -4.240 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.413 -3.445 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 80 151.390 -2.518 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.755 -3.714 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.765 -2.818 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.588 -4.582 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.571 -4.629 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.322 -5.531 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.988 -4.400 -1.997 1.00 0.00 H new ATOM 1153 N PHE A 81 152.797 -0.093 -1.898 1.00 0.00 N ATOM 1154 CA PHE A 81 152.126 1.117 -2.359 1.00 0.00 C ATOM 1155 C PHE A 81 151.269 0.830 -3.589 1.00 0.00 C ATOM 1156 O PHE A 81 151.629 0.006 -4.429 1.00 0.00 O ATOM 1157 CB PHE A 81 153.153 2.204 -2.682 1.00 0.00 C ATOM 1158 CG PHE A 81 153.880 2.720 -1.472 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.971 2.035 -0.960 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.473 3.888 -0.849 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.642 2.508 0.152 1.00 0.00 C ATOM 1162 CE2 PHE A 81 154.140 4.365 0.264 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.226 3.673 0.764 1.00 0.00 C ATOM 0 H PHE A 81 153.692 -0.277 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 81 151.475 1.468 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.880 1.807 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.648 3.035 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.300 1.122 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.625 4.432 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.491 1.966 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.813 5.277 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.749 4.043 1.633 1.00 0.00 H new ATOM 1173 N VAL A 82 150.136 1.517 -3.687 1.00 0.00 N ATOM 1174 CA VAL A 82 149.229 1.335 -4.815 1.00 0.00 C ATOM 1175 C VAL A 82 148.350 2.565 -5.016 1.00 0.00 C ATOM 1176 O VAL A 82 148.273 3.435 -4.148 1.00 0.00 O ATOM 1177 CB VAL A 82 148.328 0.102 -4.618 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.141 -1.178 -4.733 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.615 0.170 -3.276 1.00 0.00 C ATOM 0 H VAL A 82 149.824 2.204 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 82 149.849 1.185 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 82 147.573 0.098 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.487 -2.038 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.600 -1.230 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.920 -1.184 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.983 -0.710 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.352 0.201 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.998 1.068 -3.237 1.00 0.00 H new ATOM 1189 N LYS A 83 147.689 2.631 -6.167 1.00 0.00 N ATOM 1190 CA LYS A 83 146.816 3.755 -6.484 1.00 0.00 C ATOM 1191 C LYS A 83 145.586 3.760 -5.582 1.00 0.00 C ATOM 1192 O LYS A 83 144.833 2.788 -5.534 1.00 0.00 O ATOM 1193 CB LYS A 83 146.387 3.697 -7.951 1.00 0.00 C ATOM 1194 CG LYS A 83 147.548 3.777 -8.928 1.00 0.00 C ATOM 1195 CD LYS A 83 147.109 3.447 -10.345 1.00 0.00 C ATOM 1196 CE LYS A 83 147.812 4.326 -11.366 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.149 3.576 -12.607 1.00 0.00 N ATOM 0 H LYS A 83 147.741 1.919 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 83 147.374 4.676 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.840 2.770 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.697 4.517 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.977 4.779 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.333 3.086 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.321 2.399 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.030 3.578 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.174 5.173 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.724 4.732 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.627 4.211 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.779 2.782 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.277 3.210 -13.039 1.00 0.00 H new ATOM 1211 N LEU A 84 145.391 4.864 -4.868 1.00 0.00 N ATOM 1212 CA LEU A 84 144.255 5.003 -3.966 1.00 0.00 C ATOM 1213 C LEU A 84 142.937 4.838 -4.717 1.00 0.00 C ATOM 1214 O LEU A 84 141.972 4.290 -4.184 1.00 0.00 O ATOM 1215 CB LEU A 84 144.298 6.366 -3.273 1.00 0.00 C ATOM 1216 CG LEU A 84 143.095 6.680 -2.379 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.181 5.900 -1.078 1.00 0.00 C ATOM 1218 CD2 LEU A 84 143.014 8.174 -2.104 1.00 0.00 C ATOM 0 H LEU A 84 146.007 5.677 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 84 144.319 4.217 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.204 6.420 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.376 7.141 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 84 142.187 6.377 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.318 6.135 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.192 4.832 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.095 6.173 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 84 142.154 8.381 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.924 8.501 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.906 8.712 -3.046 1.00 0.00 H new ATOM 1230 N LYS A 85 142.905 5.316 -5.956 1.00 0.00 N ATOM 1231 CA LYS A 85 141.705 5.221 -6.780 1.00 0.00 C ATOM 1232 C LYS A 85 141.354 3.764 -7.067 1.00 0.00 C ATOM 1233 O LYS A 85 140.195 3.432 -7.310 1.00 0.00 O ATOM 1234 CB LYS A 85 141.902 5.980 -8.094 1.00 0.00 C ATOM 1235 CG LYS A 85 143.103 5.507 -8.896 1.00 0.00 C ATOM 1236 CD LYS A 85 143.831 6.670 -9.549 1.00 0.00 C ATOM 1237 CE LYS A 85 144.950 6.188 -10.458 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.785 7.315 -10.956 1.00 0.00 N ATOM 0 H LYS A 85 143.695 5.773 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 85 140.880 5.671 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.004 5.874 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.016 7.042 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.789 4.968 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.776 4.805 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 85 143.123 7.266 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.242 7.322 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.579 5.482 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.524 5.650 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.167 7.076 -11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 145.202 8.174 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 146.570 7.484 -10.295 1.00 0.00 H new ATOM 1252 N SER A 86 142.364 2.898 -7.038 1.00 0.00 N ATOM 1253 CA SER A 86 142.159 1.478 -7.294 1.00 0.00 C ATOM 1254 C SER A 86 142.129 0.688 -5.991 1.00 0.00 C ATOM 1255 O SER A 86 142.573 -0.459 -5.938 1.00 0.00 O ATOM 1256 CB SER A 86 143.263 0.939 -8.207 1.00 0.00 C ATOM 1257 OG SER A 86 143.111 1.420 -9.531 1.00 0.00 O ATOM 0 H SER A 86 143.331 3.156 -6.840 1.00 0.00 H new ATOM 0 HA SER A 86 141.196 1.359 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.237 1.236 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.239 -0.151 -8.208 1.00 0.00 H new ATOM 0 HG SER A 86 143.830 1.062 -10.093 1.00 0.00 H new ATOM 1263 N CYS A 87 141.602 1.309 -4.940 1.00 0.00 N ATOM 1264 CA CYS A 87 141.513 0.663 -3.636 1.00 0.00 C ATOM 1265 C CYS A 87 140.058 0.429 -3.243 1.00 0.00 C ATOM 1266 O CYS A 87 139.167 1.173 -3.652 1.00 0.00 O ATOM 1267 CB CYS A 87 142.209 1.517 -2.573 1.00 0.00 C ATOM 1268 SG CYS A 87 144.014 1.478 -2.662 1.00 0.00 S ATOM 0 H CYS A 87 141.230 2.259 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 87 142.013 -0.303 -3.702 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.873 2.549 -2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.897 1.175 -1.586 1.00 0.00 H new ATOM 0 HG CYS A 87 144.404 1.988 -3.792 1.00 0.00 H new ATOM 1274 N ARG A 88 139.824 -0.611 -2.450 1.00 0.00 N ATOM 1275 CA ARG A 88 138.477 -0.944 -2.004 1.00 0.00 C ATOM 1276 C ARG A 88 138.411 -1.018 -0.478 1.00 0.00 C ATOM 1277 O ARG A 88 139.235 -1.682 0.152 1.00 0.00 O ATOM 1278 CB ARG A 88 138.032 -2.277 -2.610 1.00 0.00 C ATOM 1279 CG ARG A 88 137.252 -2.125 -3.905 1.00 0.00 C ATOM 1280 CD ARG A 88 135.768 -1.931 -3.642 1.00 0.00 C ATOM 1281 NE ARG A 88 134.945 -2.463 -4.726 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.850 -1.900 -5.928 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.523 -0.790 -6.205 1.00 0.00 N ATOM 1284 NH2 ARG A 88 134.079 -2.449 -6.857 1.00 0.00 N ATOM 0 H ARG A 88 140.550 -1.238 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 88 137.804 -0.156 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.911 -2.894 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.416 -2.809 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.638 -1.273 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.400 -3.009 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.498 -2.423 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.558 -0.869 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 88 134.413 -3.315 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.118 -0.363 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.446 -0.364 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.560 -3.302 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 134.005 -2.018 -7.779 1.00 0.00 H new ATOM 1298 N PRO A 89 137.428 -0.338 0.142 1.00 0.00 N ATOM 1299 CA PRO A 89 137.268 -0.339 1.600 1.00 0.00 C ATOM 1300 C PRO A 89 137.186 -1.750 2.172 1.00 0.00 C ATOM 1301 O PRO A 89 136.385 -2.567 1.720 1.00 0.00 O ATOM 1302 CB PRO A 89 135.947 0.404 1.818 1.00 0.00 C ATOM 1303 CG PRO A 89 135.784 1.254 0.607 1.00 0.00 C ATOM 1304 CD PRO A 89 136.397 0.481 -0.526 1.00 0.00 C ATOM 0 HA PRO A 89 138.118 0.124 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.115 -0.292 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.978 1.009 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.731 1.461 0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 89 136.279 2.216 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.659 -0.138 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.832 1.142 -1.276 1.00 0.00 H new ATOM 1312 N ASP A 90 138.017 -2.028 3.171 1.00 0.00 N ATOM 1313 CA ASP A 90 138.036 -3.340 3.807 1.00 0.00 C ATOM 1314 C ASP A 90 137.323 -3.300 5.154 1.00 0.00 C ATOM 1315 O ASP A 90 137.873 -2.820 6.145 1.00 0.00 O ATOM 1316 CB ASP A 90 139.477 -3.819 3.993 1.00 0.00 C ATOM 1317 CG ASP A 90 139.595 -5.329 3.941 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.798 -5.963 3.219 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.484 -5.879 4.626 1.00 0.00 O ATOM 0 H ASP A 90 138.686 -1.362 3.558 1.00 0.00 H new ATOM 0 HA ASP A 90 137.510 -4.040 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.105 -3.381 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.856 -3.460 4.950 1.00 0.00 H new ATOM 1324 N SER A 91 136.093 -3.806 5.183 1.00 0.00 N ATOM 1325 CA SER A 91 135.304 -3.827 6.409 1.00 0.00 C ATOM 1326 C SER A 91 135.387 -5.191 7.088 1.00 0.00 C ATOM 1327 O SER A 91 134.473 -5.595 7.806 1.00 0.00 O ATOM 1328 CB SER A 91 133.844 -3.489 6.104 1.00 0.00 C ATOM 1329 OG SER A 91 133.229 -2.842 7.204 1.00 0.00 O ATOM 0 H SER A 91 135.622 -4.206 4.372 1.00 0.00 H new ATOM 0 HA SER A 91 135.713 -3.077 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.792 -2.846 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.299 -4.402 5.864 1.00 0.00 H new ATOM 0 HG SER A 91 132.297 -2.635 6.983 1.00 0.00 H new ATOM 1335 N ARG A 92 136.490 -5.898 6.857 1.00 0.00 N ATOM 1336 CA ARG A 92 136.689 -7.217 7.447 1.00 0.00 C ATOM 1337 C ARG A 92 136.792 -7.125 8.966 1.00 0.00 C ATOM 1338 O ARG A 92 136.442 -8.066 9.679 1.00 0.00 O ATOM 1339 CB ARG A 92 137.950 -7.867 6.877 1.00 0.00 C ATOM 1340 CG ARG A 92 137.698 -8.693 5.627 1.00 0.00 C ATOM 1341 CD ARG A 92 138.690 -9.839 5.507 1.00 0.00 C ATOM 1342 NE ARG A 92 138.461 -10.869 6.518 1.00 0.00 N ATOM 1343 CZ ARG A 92 139.262 -11.916 6.704 1.00 0.00 C ATOM 1344 NH1 ARG A 92 140.342 -12.076 5.949 1.00 0.00 N ATOM 1345 NH2 ARG A 92 138.981 -12.806 7.646 1.00 0.00 N ATOM 0 H ARG A 92 137.258 -5.580 6.266 1.00 0.00 H new ATOM 0 HA ARG A 92 135.825 -7.833 7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 92 138.678 -7.089 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.396 -8.505 7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 92 136.683 -9.090 5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 92 137.770 -8.054 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 92 138.614 -10.282 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.704 -9.452 5.606 1.00 0.00 H new ATOM 0 HE ARG A 92 137.639 -10.781 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 92 140.562 -11.395 5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 92 140.952 -12.880 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 92 138.151 -12.688 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 92 139.594 -13.608 7.789 1.00 0.00 H new