USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 27 SER OG : rot -160:sc= -0.288 USER MOD Set 1.2: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 112 HIS : no HE2:sc= -2.06! C(o=-2.4!,f=-11!) USER MOD Set 2.1: A 20 THR OG1 : rot -98:sc= -1.2 USER MOD Set 2.2: A 108 MET CE :methyl -125:sc= -0.694 (180deg=-1.44!) USER MOD Set 3.1: A 96 THR OG1 : rot 180:sc= -0.198 USER MOD Set 3.2: A 97 ASN : amide:sc= 0 K(o=-0.2,f=0.44) USER MOD Set 4.1: A 79 SER OG : rot -154:sc= 0.782 USER MOD Set 4.2: A 82 THR OG1 : rot 87:sc= -2.95! USER MOD Set 5.1: A 31 LYS NZ :NH3+ 157:sc=-0.00563 (180deg=-0.502) USER MOD Set 5.2: A 34 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.8) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 174:sc= -0.642 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.25) USER MOD Single : A 30 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.36!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.37 K(o=-2.4,f=-9.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -125:sc= -2.97! (180deg=-3.72!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0385) USER MOD Single : A 68 SER OG : rot 76:sc= 0.0618 USER MOD Single : A 70 SER OG : rot -68:sc= 0.937 USER MOD Single : A 72 MET CE :methyl 177:sc= -0.803 (180deg=-0.835) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.389) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.0877 (180deg=-0.525) USER MOD Single : A 83 SER OG : rot -53:sc= -0.201 USER MOD Single : A 84 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.8!) USER MOD Single : A 87 ASN : amide:sc=-0.00265 X(o=-0.0026,f=0) USER MOD Single : A 92 ASN : amide:sc= -1.27 K(o=-1.3,f=-9.1!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 156:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.653 -12.972 -5.212 1.00 0.00 N ATOM 223 CA ILE A 14 1.906 -12.161 -4.942 1.00 0.00 C ATOM 224 C ILE A 14 1.549 -10.730 -4.460 1.00 0.00 C ATOM 225 O ILE A 14 2.255 -10.156 -3.653 1.00 0.00 O ATOM 226 CB ILE A 14 2.702 -12.145 -6.276 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.180 -11.801 -6.009 1.00 0.00 C ATOM 228 CG2 ILE A 14 2.099 -11.145 -7.277 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.322 -10.383 -5.441 1.00 0.00 C ATOM 0 HA ILE A 14 2.504 -12.599 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 14 2.639 -13.140 -6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.604 -12.521 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.749 -11.884 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.680 -11.159 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.068 -11.424 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.122 -10.143 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.375 -10.167 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.920 -9.663 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.772 -10.310 -4.503 1.00 0.00 H new ATOM 241 N GLU A 15 0.456 -10.157 -4.937 1.00 0.00 N ATOM 242 CA GLU A 15 0.076 -8.767 -4.473 1.00 0.00 C ATOM 243 C GLU A 15 -0.015 -8.731 -2.936 1.00 0.00 C ATOM 244 O GLU A 15 0.318 -7.738 -2.323 1.00 0.00 O ATOM 245 CB GLU A 15 -1.298 -8.429 -5.094 1.00 0.00 C ATOM 246 CG GLU A 15 -1.248 -7.032 -5.719 1.00 0.00 C ATOM 247 CD GLU A 15 -2.603 -6.709 -6.352 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.907 -7.290 -7.381 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.312 -5.885 -5.799 1.00 0.00 O ATOM 0 H GLU A 15 -0.179 -10.581 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 15 0.826 -8.040 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.558 -9.168 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.074 -8.469 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.003 -6.290 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.462 -6.987 -6.473 1.00 0.00 H new ATOM 256 N GLY A 16 -0.448 -9.805 -2.303 1.00 0.00 N ATOM 257 CA GLY A 16 -0.530 -9.808 -0.810 1.00 0.00 C ATOM 258 C GLY A 16 0.873 -9.592 -0.217 1.00 0.00 C ATOM 259 O GLY A 16 1.025 -8.909 0.778 1.00 0.00 O ATOM 0 H GLY A 16 -0.744 -10.669 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.204 -9.022 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.942 -10.754 -0.460 1.00 0.00 H new ATOM 263 N ARG A 17 1.903 -10.157 -0.822 1.00 0.00 N ATOM 264 CA ARG A 17 3.294 -9.954 -0.273 1.00 0.00 C ATOM 265 C ARG A 17 3.634 -8.458 -0.185 1.00 0.00 C ATOM 266 O ARG A 17 4.433 -8.066 0.638 1.00 0.00 O ATOM 267 CB ARG A 17 4.262 -10.662 -1.235 1.00 0.00 C ATOM 268 CG ARG A 17 5.501 -11.130 -0.463 1.00 0.00 C ATOM 269 CD ARG A 17 5.956 -12.490 -1.000 1.00 0.00 C ATOM 270 NE ARG A 17 7.431 -12.509 -0.796 1.00 0.00 N ATOM 271 CZ ARG A 17 7.924 -12.671 0.402 1.00 0.00 C ATOM 272 NH1 ARG A 17 8.037 -11.648 1.203 1.00 0.00 N ATOM 273 NH2 ARG A 17 8.301 -13.856 0.797 1.00 0.00 N ATOM 0 H ARG A 17 1.843 -10.740 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 17 3.371 -10.363 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.768 -11.514 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.555 -9.984 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.304 -10.400 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.273 -11.205 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.473 -13.308 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.701 -12.604 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 17 8.057 -12.395 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.740 -10.723 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.422 -11.773 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.211 -14.655 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.686 -13.983 1.733 1.00 0.00 H new ATOM 287 N TYR A 18 3.039 -7.608 -1.008 1.00 0.00 N ATOM 288 CA TYR A 18 3.368 -6.136 -0.910 1.00 0.00 C ATOM 289 C TYR A 18 3.118 -5.645 0.524 1.00 0.00 C ATOM 290 O TYR A 18 3.883 -4.859 1.053 1.00 0.00 O ATOM 291 CB TYR A 18 2.433 -5.395 -1.882 1.00 0.00 C ATOM 292 CG TYR A 18 3.076 -5.273 -3.243 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.627 -6.399 -3.869 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.112 -4.030 -3.884 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.213 -6.279 -5.134 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.698 -3.908 -5.146 1.00 0.00 C ATOM 297 CZ TYR A 18 4.249 -5.033 -5.774 1.00 0.00 C ATOM 298 OH TYR A 18 4.826 -4.914 -7.022 1.00 0.00 O ATOM 0 H TYR A 18 2.358 -7.861 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 18 4.413 -5.953 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.488 -5.931 -1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.204 -4.404 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.599 -7.359 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.686 -3.163 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.638 -7.147 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.726 -2.947 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 18 4.766 -3.983 -7.323 1.00 0.00 H new ATOM 308 N ALA A 19 2.065 -6.115 1.168 1.00 0.00 N ATOM 309 CA ALA A 19 1.808 -5.667 2.579 1.00 0.00 C ATOM 310 C ALA A 19 2.804 -6.351 3.522 1.00 0.00 C ATOM 311 O ALA A 19 3.300 -5.734 4.445 1.00 0.00 O ATOM 312 CB ALA A 19 0.374 -6.083 2.938 1.00 0.00 C ATOM 0 H ALA A 19 1.388 -6.775 0.785 1.00 0.00 H new ATOM 0 HA ALA A 19 1.928 -4.588 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.150 -5.774 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.326 -5.605 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.278 -7.166 2.858 1.00 0.00 H new ATOM 318 N THR A 20 3.114 -7.616 3.301 1.00 0.00 N ATOM 319 CA THR A 20 4.091 -8.296 4.215 1.00 0.00 C ATOM 320 C THR A 20 5.521 -7.825 3.923 1.00 0.00 C ATOM 321 O THR A 20 6.320 -7.708 4.834 1.00 0.00 O ATOM 322 CB THR A 20 3.947 -9.814 4.005 1.00 0.00 C ATOM 323 OG1 THR A 20 3.119 -10.067 2.875 1.00 0.00 O ATOM 324 CG2 THR A 20 3.314 -10.428 5.259 1.00 0.00 C ATOM 0 H THR A 20 2.741 -8.191 2.546 1.00 0.00 H new ATOM 0 HA THR A 20 3.882 -8.045 5.255 1.00 0.00 H new ATOM 0 HB THR A 20 4.927 -10.258 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.206 -10.258 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.207 -11.504 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.952 -10.233 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.333 -9.984 5.426 1.00 0.00 H new ATOM 332 N ALA A 21 5.852 -7.514 2.687 1.00 0.00 N ATOM 333 CA ALA A 21 7.239 -7.010 2.413 1.00 0.00 C ATOM 334 C ALA A 21 7.363 -5.541 2.860 1.00 0.00 C ATOM 335 O ALA A 21 8.462 -5.047 3.036 1.00 0.00 O ATOM 336 CB ALA A 21 7.473 -7.140 0.900 1.00 0.00 C ATOM 0 H ALA A 21 5.238 -7.585 1.875 1.00 0.00 H new ATOM 0 HA ALA A 21 7.984 -7.584 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.473 -6.783 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.378 -8.185 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.734 -6.544 0.365 1.00 0.00 H new ATOM 342 N LEU A 22 6.260 -4.842 3.080 1.00 0.00 N ATOM 343 CA LEU A 22 6.366 -3.424 3.551 1.00 0.00 C ATOM 344 C LEU A 22 6.173 -3.403 5.063 1.00 0.00 C ATOM 345 O LEU A 22 6.931 -2.774 5.778 1.00 0.00 O ATOM 346 CB LEU A 22 5.249 -2.644 2.848 1.00 0.00 C ATOM 347 CG LEU A 22 5.313 -1.166 3.267 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.887 -0.328 2.121 1.00 0.00 C ATOM 349 CD2 LEU A 22 3.905 -0.666 3.607 1.00 0.00 C ATOM 0 H LEU A 22 5.310 -5.192 2.954 1.00 0.00 H new ATOM 0 HA LEU A 22 7.335 -2.980 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.355 -2.731 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.278 -3.065 3.108 1.00 0.00 H new ATOM 0 HG LEU A 22 5.955 -1.070 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.931 0.719 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.891 -0.679 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.249 -0.427 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.953 0.382 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.262 -0.767 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.497 -1.257 4.427 1.00 0.00 H new ATOM 361 N TYR A 23 5.188 -4.118 5.568 1.00 0.00 N ATOM 362 CA TYR A 23 5.002 -4.155 7.041 1.00 0.00 C ATOM 363 C TYR A 23 6.056 -5.100 7.674 1.00 0.00 C ATOM 364 O TYR A 23 6.267 -5.043 8.866 1.00 0.00 O ATOM 365 CB TYR A 23 3.520 -4.578 7.290 1.00 0.00 C ATOM 366 CG TYR A 23 3.402 -5.919 7.976 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.772 -6.046 9.313 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.947 -7.027 7.266 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.683 -7.282 9.950 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.860 -8.266 7.891 1.00 0.00 C ATOM 371 CZ TYR A 23 3.225 -8.400 9.239 1.00 0.00 C ATOM 372 OH TYR A 23 3.140 -9.629 9.860 1.00 0.00 O ATOM 0 H TYR A 23 4.520 -4.666 5.026 1.00 0.00 H new ATOM 0 HA TYR A 23 5.165 -3.189 7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.028 -3.819 7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.992 -4.615 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.129 -5.184 9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.662 -6.924 6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.966 -7.378 10.988 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.511 -9.126 7.338 1.00 0.00 H new ATOM 0 HH TYR A 23 2.714 -10.272 9.256 1.00 0.00 H new ATOM 382 N SER A 24 6.746 -5.953 6.901 1.00 0.00 N ATOM 383 CA SER A 24 7.797 -6.844 7.533 1.00 0.00 C ATOM 384 C SER A 24 8.743 -5.968 8.369 1.00 0.00 C ATOM 385 O SER A 24 9.079 -6.304 9.490 1.00 0.00 O ATOM 386 CB SER A 24 8.563 -7.521 6.388 1.00 0.00 C ATOM 387 OG SER A 24 9.906 -7.754 6.793 1.00 0.00 O ATOM 0 H SER A 24 6.626 -6.062 5.894 1.00 0.00 H new ATOM 0 HA SER A 24 7.354 -7.598 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.083 -8.463 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.543 -6.890 5.499 1.00 0.00 H new ATOM 0 HG SER A 24 10.397 -8.188 6.064 1.00 0.00 H new ATOM 393 N ALA A 25 9.109 -4.808 7.857 1.00 0.00 N ATOM 394 CA ALA A 25 9.956 -3.880 8.671 1.00 0.00 C ATOM 395 C ALA A 25 9.048 -3.270 9.748 1.00 0.00 C ATOM 396 O ALA A 25 9.432 -3.149 10.895 1.00 0.00 O ATOM 397 CB ALA A 25 10.480 -2.791 7.719 1.00 0.00 C ATOM 0 H ALA A 25 8.860 -4.473 6.926 1.00 0.00 H new ATOM 0 HA ALA A 25 10.799 -4.381 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.104 -2.091 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.069 -3.253 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.638 -2.256 7.280 1.00 0.00 H new ATOM 403 N ALA A 26 7.821 -2.906 9.390 1.00 0.00 N ATOM 404 CA ALA A 26 6.878 -2.330 10.419 1.00 0.00 C ATOM 405 C ALA A 26 6.723 -3.304 11.602 1.00 0.00 C ATOM 406 O ALA A 26 6.646 -2.886 12.740 1.00 0.00 O ATOM 407 CB ALA A 26 5.520 -2.146 9.720 1.00 0.00 C ATOM 0 H ALA A 26 7.442 -2.983 8.446 1.00 0.00 H new ATOM 0 HA ALA A 26 7.257 -1.385 10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.801 -1.730 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.635 -1.466 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.161 -3.111 9.363 1.00 0.00 H new ATOM 413 N SER A 27 6.683 -4.604 11.350 1.00 0.00 N ATOM 414 CA SER A 27 6.540 -5.590 12.490 1.00 0.00 C ATOM 415 C SER A 27 7.666 -5.359 13.510 1.00 0.00 C ATOM 416 O SER A 27 7.437 -5.375 14.706 1.00 0.00 O ATOM 417 CB SER A 27 6.666 -6.994 11.878 1.00 0.00 C ATOM 418 OG SER A 27 6.342 -7.966 12.864 1.00 0.00 O ATOM 0 H SER A 27 6.742 -5.020 10.420 1.00 0.00 H new ATOM 0 HA SER A 27 5.585 -5.472 13.002 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.999 -7.091 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.680 -7.154 11.512 1.00 0.00 H new ATOM 0 HG SER A 27 6.714 -8.834 12.602 1.00 0.00 H new ATOM 424 N LYS A 28 8.879 -5.122 13.047 1.00 0.00 N ATOM 425 CA LYS A 28 10.007 -4.864 14.011 1.00 0.00 C ATOM 426 C LYS A 28 9.817 -3.482 14.656 1.00 0.00 C ATOM 427 O LYS A 28 10.060 -3.310 15.835 1.00 0.00 O ATOM 428 CB LYS A 28 11.309 -4.899 13.193 1.00 0.00 C ATOM 429 CG LYS A 28 12.458 -5.374 14.085 1.00 0.00 C ATOM 430 CD LYS A 28 13.496 -6.106 13.234 1.00 0.00 C ATOM 431 CE LYS A 28 14.767 -6.332 14.057 1.00 0.00 C ATOM 432 NZ LYS A 28 14.629 -7.708 14.608 1.00 0.00 N ATOM 0 H LYS A 28 9.133 -5.096 12.060 1.00 0.00 H new ATOM 0 HA LYS A 28 10.035 -5.609 14.806 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.197 -5.567 12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.528 -3.908 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.918 -4.523 14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.078 -6.036 14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.095 -7.061 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.727 -5.523 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.659 -6.242 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.857 -5.595 14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.464 -7.936 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.775 -7.761 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.552 -8.389 13.826 1.00 0.00 H new ATOM 446 N GLN A 29 9.363 -2.496 13.899 1.00 0.00 N ATOM 447 CA GLN A 29 9.143 -1.135 14.503 1.00 0.00 C ATOM 448 C GLN A 29 7.759 -1.036 15.188 1.00 0.00 C ATOM 449 O GLN A 29 7.422 -0.002 15.730 1.00 0.00 O ATOM 450 CB GLN A 29 9.235 -0.131 13.345 1.00 0.00 C ATOM 451 CG GLN A 29 10.667 -0.101 12.808 1.00 0.00 C ATOM 452 CD GLN A 29 10.676 0.522 11.406 1.00 0.00 C ATOM 453 OE1 GLN A 29 9.934 0.100 10.542 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.488 1.516 11.138 1.00 0.00 N ATOM 0 H GLN A 29 9.140 -2.575 12.907 1.00 0.00 H new ATOM 0 HA GLN A 29 9.887 -0.934 15.274 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.543 -0.412 12.551 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.943 0.862 13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.306 0.475 13.478 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.074 -1.112 12.771 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.113 1.873 11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.495 1.932 10.207 1.00 0.00 H new ATOM 463 N ASN A 30 6.945 -2.089 15.174 1.00 0.00 N ATOM 464 CA ASN A 30 5.592 -2.034 15.825 1.00 0.00 C ATOM 465 C ASN A 30 4.685 -1.063 15.064 1.00 0.00 C ATOM 466 O ASN A 30 3.935 -0.315 15.662 1.00 0.00 O ATOM 467 CB ASN A 30 5.809 -1.562 17.272 1.00 0.00 C ATOM 468 CG ASN A 30 4.638 -2.032 18.144 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.502 -1.997 17.717 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.863 -2.474 19.358 1.00 0.00 N ATOM 0 H ASN A 30 7.170 -2.982 14.736 1.00 0.00 H new ATOM 0 HA ASN A 30 5.107 -3.010 15.813 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.747 -1.960 17.659 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.887 -0.475 17.304 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.085 -2.787 19.939 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.816 -2.505 19.721 1.00 0.00 H new ATOM 477 N LYS A 31 4.734 -1.078 13.747 1.00 0.00 N ATOM 478 CA LYS A 31 3.852 -0.160 12.964 1.00 0.00 C ATOM 479 C LYS A 31 2.682 -0.920 12.299 1.00 0.00 C ATOM 480 O LYS A 31 2.022 -0.375 11.437 1.00 0.00 O ATOM 481 CB LYS A 31 4.753 0.469 11.898 1.00 0.00 C ATOM 482 CG LYS A 31 5.295 1.810 12.405 1.00 0.00 C ATOM 483 CD LYS A 31 6.729 1.630 12.907 1.00 0.00 C ATOM 484 CE LYS A 31 7.376 3.003 13.111 1.00 0.00 C ATOM 485 NZ LYS A 31 6.627 3.615 14.243 1.00 0.00 N ATOM 0 H LYS A 31 5.341 -1.681 13.191 1.00 0.00 H new ATOM 0 HA LYS A 31 3.398 0.589 13.613 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.579 -0.203 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.192 0.618 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.270 2.549 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.663 2.188 13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.730 1.073 13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.306 1.047 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.437 2.909 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.300 3.613 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.216 4.342 14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.753 4.051 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.388 2.880 14.939 1.00 0.00 H new ATOM 499 N LEU A 32 2.396 -2.161 12.694 1.00 0.00 N ATOM 500 CA LEU A 32 1.235 -2.912 12.073 1.00 0.00 C ATOM 501 C LEU A 32 -0.017 -2.022 12.071 1.00 0.00 C ATOM 502 O LEU A 32 -0.756 -1.994 11.108 1.00 0.00 O ATOM 503 CB LEU A 32 1.025 -4.161 12.959 1.00 0.00 C ATOM 504 CG LEU A 32 1.913 -5.334 12.484 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.284 -5.962 11.242 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.340 -4.858 12.159 1.00 0.00 C ATOM 0 H LEU A 32 2.911 -2.675 13.409 1.00 0.00 H new ATOM 0 HA LEU A 32 1.430 -3.193 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.260 -3.919 13.996 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.023 -4.459 12.931 1.00 0.00 H new ATOM 0 HG LEU A 32 1.979 -6.069 13.286 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.904 -6.791 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.288 -6.331 11.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.211 -5.213 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.940 -5.706 11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.302 -4.109 11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.790 -4.422 13.051 1.00 0.00 H new ATOM 518 N GLU A 33 -0.227 -1.246 13.117 1.00 0.00 N ATOM 519 CA GLU A 33 -1.405 -0.313 13.116 1.00 0.00 C ATOM 520 C GLU A 33 -1.071 0.869 12.191 1.00 0.00 C ATOM 521 O GLU A 33 -1.890 1.293 11.397 1.00 0.00 O ATOM 522 CB GLU A 33 -1.599 0.167 14.563 1.00 0.00 C ATOM 523 CG GLU A 33 -2.434 -0.857 15.334 1.00 0.00 C ATOM 524 CD GLU A 33 -2.557 -0.420 16.795 1.00 0.00 C ATOM 525 OE1 GLU A 33 -1.548 -0.043 17.367 1.00 0.00 O ATOM 526 OE2 GLU A 33 -3.659 -0.471 17.316 1.00 0.00 O ATOM 0 H GLU A 33 0.355 -1.219 13.955 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.317 -0.793 12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.631 0.300 15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.096 1.137 14.572 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.424 -0.947 14.886 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.967 -1.840 15.276 1.00 0.00 H new ATOM 533 N GLN A 34 0.144 1.385 12.267 1.00 0.00 N ATOM 534 CA GLN A 34 0.538 2.523 11.360 1.00 0.00 C ATOM 535 C GLN A 34 0.408 2.106 9.887 1.00 0.00 C ATOM 536 O GLN A 34 0.166 2.937 9.033 1.00 0.00 O ATOM 537 CB GLN A 34 2.007 2.856 11.679 1.00 0.00 C ATOM 538 CG GLN A 34 2.124 3.387 13.115 1.00 0.00 C ATOM 539 CD GLN A 34 2.621 4.840 13.096 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.664 5.140 13.643 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.918 5.764 12.488 1.00 0.00 N ATOM 0 H GLN A 34 0.871 1.071 12.910 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.109 3.385 11.520 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.625 1.966 11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.381 3.600 10.976 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.156 3.331 13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.813 2.765 13.687 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.042 5.518 12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.247 6.729 12.475 1.00 0.00 H new ATOM 550 N VAL A 35 0.583 0.837 9.566 1.00 0.00 N ATOM 551 CA VAL A 35 0.481 0.418 8.129 1.00 0.00 C ATOM 552 C VAL A 35 -0.874 -0.269 7.850 1.00 0.00 C ATOM 553 O VAL A 35 -1.473 -0.046 6.815 1.00 0.00 O ATOM 554 CB VAL A 35 1.644 -0.570 7.874 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.918 -0.641 6.371 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.933 -0.121 8.598 1.00 0.00 C ATOM 0 H VAL A 35 0.788 0.088 10.227 1.00 0.00 H new ATOM 0 HA VAL A 35 0.543 1.284 7.470 1.00 0.00 H new ATOM 0 HB VAL A 35 1.354 -1.547 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.737 -1.336 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.023 -0.987 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.190 0.349 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.731 -0.837 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.230 0.863 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.749 -0.073 9.671 1.00 0.00 H new ATOM 566 N GLU A 36 -1.365 -1.104 8.750 1.00 0.00 N ATOM 567 CA GLU A 36 -2.688 -1.792 8.488 1.00 0.00 C ATOM 568 C GLU A 36 -3.855 -0.786 8.462 1.00 0.00 C ATOM 569 O GLU A 36 -4.859 -1.035 7.818 1.00 0.00 O ATOM 570 CB GLU A 36 -2.904 -2.797 9.630 1.00 0.00 C ATOM 571 CG GLU A 36 -4.003 -3.788 9.238 1.00 0.00 C ATOM 572 CD GLU A 36 -4.621 -4.391 10.500 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.342 -3.681 11.180 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.362 -5.554 10.765 1.00 0.00 O ATOM 0 H GLU A 36 -0.919 -1.337 9.637 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.662 -2.282 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.977 -3.330 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.183 -2.271 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.770 -3.283 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.589 -4.577 8.611 1.00 0.00 H new ATOM 581 N LYS A 37 -3.753 0.338 9.147 1.00 0.00 N ATOM 582 CA LYS A 37 -4.890 1.321 9.131 1.00 0.00 C ATOM 583 C LYS A 37 -4.698 2.342 8.003 1.00 0.00 C ATOM 584 O LYS A 37 -5.656 2.747 7.370 1.00 0.00 O ATOM 585 CB LYS A 37 -4.876 2.019 10.498 1.00 0.00 C ATOM 586 CG LYS A 37 -6.115 2.908 10.631 1.00 0.00 C ATOM 587 CD LYS A 37 -6.411 3.155 12.111 1.00 0.00 C ATOM 588 CE LYS A 37 -7.132 1.940 12.699 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.022 2.495 13.757 1.00 0.00 N ATOM 0 H LYS A 37 -2.945 0.612 9.707 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.843 0.822 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.860 1.277 11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.972 2.619 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.952 3.856 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.971 2.431 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.483 3.337 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.027 4.047 12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.706 1.414 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.424 1.224 13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.551 1.721 14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.447 2.984 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.690 3.168 13.331 1.00 0.00 H new ATOM 603 N GLU A 38 -3.477 2.755 7.730 1.00 0.00 N ATOM 604 CA GLU A 38 -3.266 3.740 6.620 1.00 0.00 C ATOM 605 C GLU A 38 -3.542 3.044 5.276 1.00 0.00 C ATOM 606 O GLU A 38 -4.168 3.610 4.401 1.00 0.00 O ATOM 607 CB GLU A 38 -1.805 4.198 6.723 1.00 0.00 C ATOM 608 CG GLU A 38 -1.579 4.899 8.066 1.00 0.00 C ATOM 609 CD GLU A 38 -2.094 6.339 7.997 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.063 6.569 7.292 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.509 7.187 8.650 1.00 0.00 O ATOM 0 H GLU A 38 -2.633 2.457 8.220 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.935 4.598 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.138 3.341 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.567 4.876 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.094 4.357 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.518 4.895 8.314 1.00 0.00 H new ATOM 618 N LEU A 39 -3.106 1.807 5.109 1.00 0.00 N ATOM 619 CA LEU A 39 -3.387 1.085 3.808 1.00 0.00 C ATOM 620 C LEU A 39 -4.903 1.073 3.531 1.00 0.00 C ATOM 621 O LEU A 39 -5.327 1.186 2.395 1.00 0.00 O ATOM 622 CB LEU A 39 -2.875 -0.362 3.968 1.00 0.00 C ATOM 623 CG LEU A 39 -1.577 -0.543 3.177 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.483 0.351 3.767 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.137 -2.008 3.251 1.00 0.00 C ATOM 0 H LEU A 39 -2.578 1.274 5.800 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.891 1.583 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.703 -0.582 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.629 -1.065 3.614 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.745 -0.264 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.439 0.219 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.796 1.394 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.312 0.078 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.213 -2.139 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.971 -2.286 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.914 -2.643 2.826 1.00 0.00 H new ATOM 637 N LEU A 40 -5.726 0.941 4.557 1.00 0.00 N ATOM 638 CA LEU A 40 -7.219 0.929 4.323 1.00 0.00 C ATOM 639 C LEU A 40 -7.659 2.205 3.583 1.00 0.00 C ATOM 640 O LEU A 40 -8.563 2.165 2.769 1.00 0.00 O ATOM 641 CB LEU A 40 -7.883 0.871 5.709 1.00 0.00 C ATOM 642 CG LEU A 40 -9.397 0.737 5.544 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.746 -0.707 5.180 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.087 1.111 6.858 1.00 0.00 C ATOM 0 H LEU A 40 -5.436 0.843 5.530 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.508 0.076 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.492 0.026 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.647 1.772 6.275 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.736 1.403 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.825 -0.802 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.254 -0.976 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.407 -1.374 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.167 1.016 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.747 0.444 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.839 2.140 7.119 1.00 0.00 H new ATOM 656 N ARG A 41 -7.035 3.339 3.851 1.00 0.00 N ATOM 657 CA ARG A 41 -7.447 4.605 3.139 1.00 0.00 C ATOM 658 C ARG A 41 -7.319 4.418 1.619 1.00 0.00 C ATOM 659 O ARG A 41 -8.172 4.853 0.867 1.00 0.00 O ATOM 660 CB ARG A 41 -6.500 5.718 3.615 1.00 0.00 C ATOM 661 CG ARG A 41 -7.098 6.409 4.840 1.00 0.00 C ATOM 662 CD ARG A 41 -6.642 5.684 6.110 1.00 0.00 C ATOM 663 NE ARG A 41 -6.999 6.603 7.226 1.00 0.00 N ATOM 664 CZ ARG A 41 -6.060 7.128 7.965 1.00 0.00 C ATOM 665 NH1 ARG A 41 -5.454 8.216 7.574 1.00 0.00 N ATOM 666 NH2 ARG A 41 -5.728 6.566 9.095 1.00 0.00 N ATOM 0 H ARG A 41 -6.272 3.442 4.520 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.484 4.857 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.524 5.299 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.343 6.443 2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.784 7.452 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.186 6.406 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.142 4.721 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.570 5.486 6.089 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.977 6.822 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.714 8.656 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.720 8.627 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.202 5.716 9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.994 6.976 9.672 1.00 0.00 H new ATOM 680 N VAL A 42 -6.270 3.765 1.158 1.00 0.00 N ATOM 681 CA VAL A 42 -6.123 3.552 -0.326 1.00 0.00 C ATOM 682 C VAL A 42 -7.264 2.649 -0.828 1.00 0.00 C ATOM 683 O VAL A 42 -7.810 2.872 -1.893 1.00 0.00 O ATOM 684 CB VAL A 42 -4.756 2.878 -0.543 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.545 2.591 -2.034 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.647 3.812 -0.046 1.00 0.00 C ATOM 0 H VAL A 42 -5.522 3.377 1.733 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.175 4.491 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.727 1.940 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.576 2.114 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.333 1.928 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.576 3.526 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.677 3.338 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.684 4.749 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.790 4.014 1.016 1.00 0.00 H new ATOM 696 N GLY A 43 -7.637 1.638 -0.069 1.00 0.00 N ATOM 697 CA GLY A 43 -8.747 0.741 -0.507 1.00 0.00 C ATOM 698 C GLY A 43 -10.056 1.540 -0.522 1.00 0.00 C ATOM 699 O GLY A 43 -10.809 1.480 -1.476 1.00 0.00 O ATOM 0 H GLY A 43 -7.218 1.401 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.539 0.341 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.833 -0.110 0.169 1.00 0.00 H new ATOM 703 N GLN A 44 -10.333 2.300 0.522 1.00 0.00 N ATOM 704 CA GLN A 44 -11.605 3.109 0.536 1.00 0.00 C ATOM 705 C GLN A 44 -11.589 4.108 -0.632 1.00 0.00 C ATOM 706 O GLN A 44 -12.592 4.310 -1.290 1.00 0.00 O ATOM 707 CB GLN A 44 -11.641 3.860 1.878 1.00 0.00 C ATOM 708 CG GLN A 44 -13.093 4.173 2.249 1.00 0.00 C ATOM 709 CD GLN A 44 -13.450 5.588 1.778 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.959 6.039 0.762 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.287 6.317 2.475 1.00 0.00 N ATOM 0 H GLN A 44 -9.745 2.394 1.350 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.483 2.473 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.177 3.256 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.066 4.783 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.762 3.446 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.229 4.093 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.701 5.942 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.524 7.259 2.164 1.00 0.00 H new ATOM 720 N ILE A 45 -10.455 4.725 -0.906 1.00 0.00 N ATOM 721 CA ILE A 45 -10.396 5.700 -2.053 1.00 0.00 C ATOM 722 C ILE A 45 -10.662 4.957 -3.370 1.00 0.00 C ATOM 723 O ILE A 45 -11.329 5.473 -4.240 1.00 0.00 O ATOM 724 CB ILE A 45 -8.977 6.308 -2.043 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.790 7.128 -0.762 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.781 7.220 -3.262 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.298 7.264 -0.455 1.00 0.00 C ATOM 0 H ILE A 45 -9.582 4.599 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.147 6.484 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.244 5.502 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.239 8.114 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.300 6.643 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.776 7.642 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.913 6.640 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.514 8.026 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.166 7.847 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.863 6.274 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.800 7.768 -1.284 1.00 0.00 H new ATOM 739 N LEU A 46 -10.162 3.750 -3.528 1.00 0.00 N ATOM 740 CA LEU A 46 -10.429 3.011 -4.813 1.00 0.00 C ATOM 741 C LEU A 46 -11.858 2.445 -4.816 1.00 0.00 C ATOM 742 O LEU A 46 -12.486 2.368 -5.856 1.00 0.00 O ATOM 743 CB LEU A 46 -9.396 1.875 -4.910 1.00 0.00 C ATOM 744 CG LEU A 46 -8.310 2.270 -5.907 1.00 0.00 C ATOM 745 CD1 LEU A 46 -7.532 3.474 -5.370 1.00 0.00 C ATOM 746 CD2 LEU A 46 -7.356 1.095 -6.116 1.00 0.00 C ATOM 0 H LEU A 46 -9.594 3.253 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.341 3.680 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.956 1.683 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.881 0.952 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.772 2.535 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.757 3.754 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.213 4.313 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.071 3.214 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.581 1.378 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.895 0.827 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.911 0.241 -6.504 1.00 0.00 H new ATOM 758 N LYS A 47 -12.392 2.074 -3.670 1.00 0.00 N ATOM 759 CA LYS A 47 -13.797 1.549 -3.644 1.00 0.00 C ATOM 760 C LYS A 47 -14.777 2.711 -3.863 1.00 0.00 C ATOM 761 O LYS A 47 -15.852 2.518 -4.400 1.00 0.00 O ATOM 762 CB LYS A 47 -14.014 0.919 -2.257 1.00 0.00 C ATOM 763 CG LYS A 47 -15.359 0.190 -2.233 1.00 0.00 C ATOM 764 CD LYS A 47 -15.787 -0.043 -0.782 1.00 0.00 C ATOM 765 CE LYS A 47 -14.839 -1.047 -0.123 1.00 0.00 C ATOM 766 NZ LYS A 47 -15.373 -1.233 1.256 1.00 0.00 N ATOM 0 H LYS A 47 -11.922 2.112 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.964 0.811 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.207 0.222 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.993 1.691 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.113 0.778 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.278 -0.762 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.775 0.899 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.810 -0.418 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.820 -1.990 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.816 -0.670 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.775 -1.910 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.372 -0.320 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.345 -1.599 1.205 1.00 0.00 H new ATOM 780 N GLU A 48 -14.426 3.925 -3.455 1.00 0.00 N ATOM 781 CA GLU A 48 -15.370 5.079 -3.660 1.00 0.00 C ATOM 782 C GLU A 48 -15.748 5.199 -5.149 1.00 0.00 C ATOM 783 O GLU A 48 -14.921 4.962 -6.007 1.00 0.00 O ATOM 784 CB GLU A 48 -14.629 6.346 -3.203 1.00 0.00 C ATOM 785 CG GLU A 48 -14.909 6.596 -1.720 1.00 0.00 C ATOM 786 CD GLU A 48 -14.820 8.095 -1.429 1.00 0.00 C ATOM 787 OE1 GLU A 48 -13.725 8.563 -1.168 1.00 0.00 O ATOM 788 OE2 GLU A 48 -15.850 8.749 -1.473 1.00 0.00 O ATOM 0 H GLU A 48 -13.544 4.157 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.290 4.935 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.557 6.232 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.953 7.202 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.899 6.222 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.190 6.052 -1.107 1.00 0.00 H new ATOM 795 N PRO A 49 -16.986 5.562 -5.420 1.00 0.00 N ATOM 796 CA PRO A 49 -17.432 5.700 -6.829 1.00 0.00 C ATOM 797 C PRO A 49 -16.832 6.967 -7.462 1.00 0.00 C ATOM 798 O PRO A 49 -16.333 6.927 -8.572 1.00 0.00 O ATOM 799 CB PRO A 49 -18.951 5.809 -6.720 1.00 0.00 C ATOM 800 CG PRO A 49 -19.208 6.331 -5.343 1.00 0.00 C ATOM 801 CD PRO A 49 -18.067 5.873 -4.469 1.00 0.00 C ATOM 0 HA PRO A 49 -17.117 4.869 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.353 6.482 -7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.427 4.840 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.273 7.419 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.158 5.957 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.767 6.650 -3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.343 4.999 -3.880 1.00 0.00 H new ATOM 809 N LYS A 50 -16.867 8.089 -6.770 1.00 0.00 N ATOM 810 CA LYS A 50 -16.279 9.347 -7.361 1.00 0.00 C ATOM 811 C LYS A 50 -14.779 9.146 -7.628 1.00 0.00 C ATOM 812 O LYS A 50 -14.260 9.602 -8.630 1.00 0.00 O ATOM 813 CB LYS A 50 -16.487 10.464 -6.326 1.00 0.00 C ATOM 814 CG LYS A 50 -17.971 10.833 -6.264 1.00 0.00 C ATOM 815 CD LYS A 50 -18.332 11.265 -4.842 1.00 0.00 C ATOM 816 CE LYS A 50 -19.834 11.085 -4.619 1.00 0.00 C ATOM 817 NZ LYS A 50 -19.974 10.764 -3.171 1.00 0.00 N ATOM 0 H LYS A 50 -17.269 8.190 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.758 9.599 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.142 10.135 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.895 11.339 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.185 11.639 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.581 9.980 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.773 10.673 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.053 12.307 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.382 11.991 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.232 10.283 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.979 10.626 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.447 9.893 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.593 11.548 -2.603 1.00 0.00 H new ATOM 831 N MET A 51 -14.075 8.462 -6.747 1.00 0.00 N ATOM 832 CA MET A 51 -12.604 8.236 -6.976 1.00 0.00 C ATOM 833 C MET A 51 -12.386 7.143 -8.037 1.00 0.00 C ATOM 834 O MET A 51 -11.463 7.222 -8.825 1.00 0.00 O ATOM 835 CB MET A 51 -12.018 7.772 -5.635 1.00 0.00 C ATOM 836 CG MET A 51 -12.187 8.852 -4.558 1.00 0.00 C ATOM 837 SD MET A 51 -11.395 10.410 -5.060 1.00 0.00 S ATOM 838 CE MET A 51 -9.773 9.739 -5.506 1.00 0.00 C ATOM 0 H MET A 51 -14.450 8.055 -5.890 1.00 0.00 H new ATOM 0 HA MET A 51 -12.124 9.148 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.513 6.855 -5.316 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.961 7.538 -5.758 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.248 9.023 -4.374 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.752 8.506 -3.620 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.997 10.264 -4.950 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.739 8.677 -5.262 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.606 9.871 -6.575 1.00 0.00 H new ATOM 848 N ALA A 52 -13.224 6.119 -8.069 1.00 0.00 N ATOM 849 CA ALA A 52 -13.038 5.024 -9.095 1.00 0.00 C ATOM 850 C ALA A 52 -12.927 5.624 -10.508 1.00 0.00 C ATOM 851 O ALA A 52 -12.169 5.143 -11.329 1.00 0.00 O ATOM 852 CB ALA A 52 -14.280 4.120 -9.005 1.00 0.00 C ATOM 0 H ALA A 52 -14.017 5.995 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.124 4.463 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.194 3.310 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.354 3.702 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.173 4.706 -9.221 1.00 0.00 H new ATOM 858 N ALA A 53 -13.667 6.676 -10.794 1.00 0.00 N ATOM 859 CA ALA A 53 -13.576 7.297 -12.165 1.00 0.00 C ATOM 860 C ALA A 53 -12.186 7.927 -12.382 1.00 0.00 C ATOM 861 O ALA A 53 -11.691 7.954 -13.491 1.00 0.00 O ATOM 862 CB ALA A 53 -14.663 8.382 -12.233 1.00 0.00 C ATOM 0 H ALA A 53 -14.319 7.126 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.720 6.545 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.637 8.862 -13.211 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.641 7.927 -12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.483 9.127 -11.458 1.00 0.00 H new ATOM 868 N SER A 54 -11.548 8.438 -11.341 1.00 0.00 N ATOM 869 CA SER A 54 -10.190 9.063 -11.534 1.00 0.00 C ATOM 870 C SER A 54 -9.091 7.991 -11.505 1.00 0.00 C ATOM 871 O SER A 54 -8.147 8.055 -12.271 1.00 0.00 O ATOM 872 CB SER A 54 -9.998 10.049 -10.372 1.00 0.00 C ATOM 873 OG SER A 54 -9.186 11.132 -10.806 1.00 0.00 O ATOM 0 H SER A 54 -11.903 8.449 -10.385 1.00 0.00 H new ATOM 0 HA SER A 54 -10.126 9.566 -12.499 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.965 10.418 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.531 9.545 -9.526 1.00 0.00 H new ATOM 0 HG SER A 54 -9.062 11.765 -10.068 1.00 0.00 H new ATOM 879 N LEU A 55 -9.198 7.006 -10.637 1.00 0.00 N ATOM 880 CA LEU A 55 -8.134 5.939 -10.591 1.00 0.00 C ATOM 881 C LEU A 55 -8.265 4.978 -11.790 1.00 0.00 C ATOM 882 O LEU A 55 -7.290 4.378 -12.204 1.00 0.00 O ATOM 883 CB LEU A 55 -8.335 5.175 -9.273 1.00 0.00 C ATOM 884 CG LEU A 55 -8.138 6.131 -8.095 1.00 0.00 C ATOM 885 CD1 LEU A 55 -9.080 5.740 -6.957 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.689 6.049 -7.608 1.00 0.00 C ATOM 0 H LEU A 55 -9.961 6.894 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.140 6.384 -10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.335 4.741 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.627 4.349 -9.207 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.358 7.150 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.939 6.421 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.112 5.798 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.861 4.721 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.548 6.730 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.469 5.030 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.016 6.329 -8.419 1.00 0.00 H new ATOM 898 N LEU A 56 -9.450 4.816 -12.351 1.00 0.00 N ATOM 899 CA LEU A 56 -9.600 3.880 -13.517 1.00 0.00 C ATOM 900 C LEU A 56 -9.628 4.633 -14.866 1.00 0.00 C ATOM 901 O LEU A 56 -9.387 4.032 -15.897 1.00 0.00 O ATOM 902 CB LEU A 56 -10.932 3.149 -13.289 1.00 0.00 C ATOM 903 CG LEU A 56 -11.150 2.112 -14.395 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.855 0.885 -13.813 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.016 2.720 -15.504 1.00 0.00 C ATOM 0 H LEU A 56 -10.306 5.285 -12.055 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.753 3.196 -13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.927 2.660 -12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.754 3.865 -13.282 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.186 1.815 -14.808 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.010 0.147 -14.600 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.239 0.451 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.819 1.181 -13.399 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.171 1.982 -16.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.980 3.018 -15.091 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.514 3.594 -15.920 1.00 0.00 H new ATOM 917 N ASN A 57 -9.926 5.925 -14.894 1.00 0.00 N ATOM 918 CA ASN A 57 -9.966 6.643 -16.220 1.00 0.00 C ATOM 919 C ASN A 57 -8.625 6.499 -16.957 1.00 0.00 C ATOM 920 O ASN A 57 -7.581 6.682 -16.365 1.00 0.00 O ATOM 921 CB ASN A 57 -10.237 8.133 -15.927 1.00 0.00 C ATOM 922 CG ASN A 57 -11.718 8.451 -16.181 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.358 7.800 -16.982 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.297 9.433 -15.531 1.00 0.00 N ATOM 0 H ASN A 57 -10.138 6.498 -14.077 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.744 6.217 -16.854 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.978 8.363 -14.893 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.607 8.758 -16.560 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.280 9.646 -15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.764 9.983 -14.857 1.00 0.00 H new ATOM 931 N PRO A 58 -8.690 6.213 -18.247 1.00 0.00 N ATOM 932 CA PRO A 58 -7.448 6.102 -19.048 1.00 0.00 C ATOM 933 C PRO A 58 -6.889 7.504 -19.399 1.00 0.00 C ATOM 934 O PRO A 58 -5.826 7.612 -19.981 1.00 0.00 O ATOM 935 CB PRO A 58 -7.895 5.377 -20.313 1.00 0.00 C ATOM 936 CG PRO A 58 -9.355 5.675 -20.446 1.00 0.00 C ATOM 937 CD PRO A 58 -9.890 5.967 -19.068 1.00 0.00 C ATOM 0 HA PRO A 58 -6.652 5.581 -18.515 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.341 5.728 -21.184 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.718 4.304 -20.234 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.513 6.528 -21.106 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.880 4.828 -20.888 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.550 6.834 -19.075 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.469 5.128 -18.682 1.00 0.00 H new ATOM 945 N TYR A 59 -7.583 8.580 -19.054 1.00 0.00 N ATOM 946 CA TYR A 59 -7.067 9.949 -19.378 1.00 0.00 C ATOM 947 C TYR A 59 -6.199 10.521 -18.235 1.00 0.00 C ATOM 948 O TYR A 59 -5.687 11.619 -18.356 1.00 0.00 O ATOM 949 CB TYR A 59 -8.321 10.812 -19.574 1.00 0.00 C ATOM 950 CG TYR A 59 -8.965 10.453 -20.893 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.729 9.284 -21.006 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.791 11.284 -22.007 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.316 8.945 -22.230 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.381 10.947 -23.231 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.143 9.777 -23.343 1.00 0.00 C ATOM 956 OH TYR A 59 -10.723 9.443 -24.549 1.00 0.00 O ATOM 0 H TYR A 59 -8.478 8.560 -18.565 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.428 9.929 -20.261 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.022 10.648 -18.756 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.056 11.869 -19.560 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.865 8.644 -20.147 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.202 12.185 -21.922 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.902 8.042 -22.316 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.249 11.589 -24.089 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.506 10.127 -25.217 1.00 0.00 H new ATOM 966 N VAL A 60 -6.011 9.807 -17.133 1.00 0.00 N ATOM 967 CA VAL A 60 -5.155 10.371 -16.027 1.00 0.00 C ATOM 968 C VAL A 60 -3.672 9.946 -16.176 1.00 0.00 C ATOM 969 O VAL A 60 -2.888 10.149 -15.269 1.00 0.00 O ATOM 970 CB VAL A 60 -5.739 9.823 -14.713 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.980 10.419 -13.526 1.00 0.00 C ATOM 972 CG2 VAL A 60 -7.218 10.207 -14.608 1.00 0.00 C ATOM 0 H VAL A 60 -6.404 8.882 -16.958 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.166 11.461 -16.053 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.641 8.737 -14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.395 10.030 -12.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.926 10.148 -13.595 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.077 11.505 -13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.630 9.818 -13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.314 11.293 -14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.764 9.784 -15.451 1.00 0.00 H new ATOM 982 N LYS A 61 -3.263 9.377 -17.303 1.00 0.00 N ATOM 983 CA LYS A 61 -1.827 8.971 -17.476 1.00 0.00 C ATOM 984 C LYS A 61 -1.339 8.128 -16.282 1.00 0.00 C ATOM 985 O LYS A 61 -2.109 7.787 -15.403 1.00 0.00 O ATOM 986 CB LYS A 61 -1.047 10.289 -17.559 1.00 0.00 C ATOM 987 CG LYS A 61 -0.059 10.234 -18.728 1.00 0.00 C ATOM 988 CD LYS A 61 1.044 11.271 -18.514 1.00 0.00 C ATOM 989 CE LYS A 61 1.990 11.267 -19.716 1.00 0.00 C ATOM 990 NZ LYS A 61 2.365 12.694 -19.916 1.00 0.00 N ATOM 0 H LYS A 61 -3.865 9.180 -18.103 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.688 8.353 -18.363 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.737 11.123 -17.693 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.511 10.465 -16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.375 9.237 -18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.578 10.429 -19.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.607 12.261 -18.386 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.597 11.046 -17.602 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.869 10.651 -19.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.502 10.859 -20.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.014 12.772 -20.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.509 13.255 -20.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.834 13.053 -19.060 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.062 7.798 -16.240 1.00 0.00 N ATOM 1005 CA ARG A 62 0.467 6.989 -15.098 1.00 0.00 C ATOM 1006 C ARG A 62 1.369 7.867 -14.214 1.00 0.00 C ATOM 1007 O ARG A 62 1.150 7.978 -13.023 1.00 0.00 O ATOM 1008 CB ARG A 62 1.278 5.853 -15.740 1.00 0.00 C ATOM 1009 CG ARG A 62 0.580 4.512 -15.492 1.00 0.00 C ATOM 1010 CD ARG A 62 1.002 3.960 -14.128 1.00 0.00 C ATOM 1011 NE ARG A 62 0.031 2.869 -13.840 1.00 0.00 N ATOM 1012 CZ ARG A 62 -1.156 3.158 -13.381 1.00 0.00 C ATOM 1013 NH1 ARG A 62 -1.280 3.875 -12.297 1.00 0.00 N ATOM 1014 NH2 ARG A 62 -2.218 2.729 -14.005 1.00 0.00 N ATOM 0 H ARG A 62 0.628 8.055 -16.946 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.329 6.600 -14.463 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.380 6.027 -16.811 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.285 5.832 -15.323 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.502 4.642 -15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.840 3.804 -16.279 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.024 3.583 -14.153 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.967 4.733 -13.361 1.00 0.00 H new ATOM 0 HE ARG A 62 0.293 1.897 -14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.449 4.209 -11.809 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.208 4.101 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.120 2.168 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.146 2.955 -13.647 1.00 0.00 H new ATOM 1028 N SER A 63 2.375 8.502 -14.787 1.00 0.00 N ATOM 1029 CA SER A 63 3.274 9.379 -13.952 1.00 0.00 C ATOM 1030 C SER A 63 2.446 10.494 -13.292 1.00 0.00 C ATOM 1031 O SER A 63 2.665 10.833 -12.143 1.00 0.00 O ATOM 1032 CB SER A 63 4.314 9.988 -14.905 1.00 0.00 C ATOM 1033 OG SER A 63 5.189 8.965 -15.361 1.00 0.00 O ATOM 0 H SER A 63 2.610 8.453 -15.778 1.00 0.00 H new ATOM 0 HA SER A 63 3.760 8.806 -13.162 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.816 10.460 -15.752 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.881 10.766 -14.394 1.00 0.00 H new ATOM 0 HG SER A 63 5.853 9.350 -15.971 1.00 0.00 H new ATOM 1039 N VAL A 64 1.489 11.064 -14.001 1.00 0.00 N ATOM 1040 CA VAL A 64 0.652 12.152 -13.382 1.00 0.00 C ATOM 1041 C VAL A 64 -0.156 11.574 -12.209 1.00 0.00 C ATOM 1042 O VAL A 64 -0.270 12.194 -11.168 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.293 12.672 -14.482 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.172 13.793 -13.922 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.534 13.214 -15.649 1.00 0.00 C ATOM 0 H VAL A 64 1.255 10.827 -14.965 1.00 0.00 H new ATOM 0 HA VAL A 64 1.272 12.961 -12.997 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.926 11.855 -14.828 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.839 14.158 -14.704 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.763 13.411 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.541 14.610 -13.573 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.134 13.582 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.167 14.029 -15.299 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.159 12.417 -16.053 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.711 10.387 -12.362 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.503 9.786 -11.229 1.00 0.00 C ATOM 1057 C LYS A 65 -0.581 9.534 -10.026 1.00 0.00 C ATOM 1058 O LYS A 65 -0.966 9.757 -8.893 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.079 8.457 -11.742 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.988 7.846 -10.672 1.00 0.00 C ATOM 1061 CD LYS A 65 -4.436 8.274 -10.924 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.762 9.513 -10.085 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.516 8.994 -8.911 1.00 0.00 N ATOM 0 H LYS A 65 -0.652 9.817 -13.206 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.301 10.456 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.642 8.623 -12.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.270 7.767 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.911 6.759 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.669 8.170 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.582 8.491 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.115 7.461 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.854 10.030 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.358 10.228 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.775 9.785 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.379 8.513 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.922 8.321 -8.387 1.00 0.00 H new ATOM 1077 N VAL A 66 0.637 9.079 -10.256 1.00 0.00 N ATOM 1078 CA VAL A 66 1.568 8.830 -9.098 1.00 0.00 C ATOM 1079 C VAL A 66 1.861 10.159 -8.382 1.00 0.00 C ATOM 1080 O VAL A 66 1.877 10.218 -7.166 1.00 0.00 O ATOM 1081 CB VAL A 66 2.864 8.236 -9.683 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.866 7.967 -8.556 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.544 6.919 -10.402 1.00 0.00 C ATOM 0 H VAL A 66 1.021 8.873 -11.178 1.00 0.00 H new ATOM 0 HA VAL A 66 1.128 8.146 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 66 3.296 8.945 -10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.781 7.547 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.097 8.901 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.434 7.261 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.460 6.498 -10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.109 6.214 -9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.835 7.107 -11.208 1.00 0.00 H new ATOM 1093 N LYS A 67 2.083 11.228 -9.122 1.00 0.00 N ATOM 1094 CA LYS A 67 2.363 12.548 -8.450 1.00 0.00 C ATOM 1095 C LYS A 67 1.150 12.968 -7.606 1.00 0.00 C ATOM 1096 O LYS A 67 1.301 13.476 -6.511 1.00 0.00 O ATOM 1097 CB LYS A 67 2.613 13.573 -9.569 1.00 0.00 C ATOM 1098 CG LYS A 67 3.267 14.824 -8.978 1.00 0.00 C ATOM 1099 CD LYS A 67 2.983 16.025 -9.883 1.00 0.00 C ATOM 1100 CE LYS A 67 4.127 17.034 -9.767 1.00 0.00 C ATOM 1101 NZ LYS A 67 3.910 17.712 -8.458 1.00 0.00 N ATOM 0 H LYS A 67 2.083 11.246 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 67 3.226 12.480 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.256 13.141 -10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.672 13.836 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.880 15.011 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.342 14.674 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.877 15.697 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.041 16.493 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.097 16.537 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.108 17.749 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.082 18.732 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.931 17.556 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.566 17.321 -7.752 1.00 0.00 H new ATOM 1115 N SER A 68 -0.057 12.757 -8.101 1.00 0.00 N ATOM 1116 CA SER A 68 -1.272 13.150 -7.298 1.00 0.00 C ATOM 1117 C SER A 68 -1.271 12.422 -5.943 1.00 0.00 C ATOM 1118 O SER A 68 -1.649 12.990 -4.936 1.00 0.00 O ATOM 1119 CB SER A 68 -2.502 12.735 -8.118 1.00 0.00 C ATOM 1120 OG SER A 68 -2.563 13.520 -9.303 1.00 0.00 O ATOM 0 H SER A 68 -0.251 12.337 -9.010 1.00 0.00 H new ATOM 0 HA SER A 68 -1.277 14.222 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.444 11.677 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.409 12.873 -7.530 1.00 0.00 H new ATOM 0 HG SER A 68 -1.896 13.197 -9.944 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.849 11.170 -5.903 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.836 10.432 -4.587 1.00 0.00 C ATOM 1128 C LEU A 69 0.069 11.169 -3.589 1.00 0.00 C ATOM 1129 O LEU A 69 -0.297 11.362 -2.445 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.286 9.026 -4.868 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.421 8.128 -5.364 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.860 7.077 -6.324 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.080 7.430 -4.171 1.00 0.00 C ATOM 0 H LEU A 69 -0.519 10.637 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.835 10.375 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.506 9.076 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.155 8.608 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.162 8.735 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.669 6.438 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.393 7.574 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.118 6.470 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.889 6.790 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.339 6.824 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.482 8.178 -3.488 1.00 0.00 H new ATOM 1145 N SER A 70 1.245 11.595 -4.011 1.00 0.00 N ATOM 1146 CA SER A 70 2.151 12.336 -3.058 1.00 0.00 C ATOM 1147 C SER A 70 1.450 13.616 -2.580 1.00 0.00 C ATOM 1148 O SER A 70 1.482 13.941 -1.407 1.00 0.00 O ATOM 1149 CB SER A 70 3.428 12.686 -3.835 1.00 0.00 C ATOM 1150 OG SER A 70 3.188 13.834 -4.639 1.00 0.00 O ATOM 0 H SER A 70 1.612 11.466 -4.954 1.00 0.00 H new ATOM 0 HA SER A 70 2.389 11.732 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.248 12.877 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.729 11.846 -4.461 1.00 0.00 H new ATOM 0 HG SER A 70 2.551 13.609 -5.349 1.00 0.00 H new ATOM 1156 N ASP A 71 0.796 14.335 -3.473 1.00 0.00 N ATOM 1157 CA ASP A 71 0.073 15.584 -3.037 1.00 0.00 C ATOM 1158 C ASP A 71 -1.171 15.224 -2.200 1.00 0.00 C ATOM 1159 O ASP A 71 -1.625 16.024 -1.404 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.340 16.330 -4.315 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.759 17.757 -3.961 1.00 0.00 C ATOM 1162 OD1 ASP A 71 0.119 18.570 -3.724 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -1.952 18.014 -3.930 1.00 0.00 O ATOM 0 H ASP A 71 0.732 14.117 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 71 0.716 16.206 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.489 16.348 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.163 15.809 -4.803 1.00 0.00 H new ATOM 1168 N MET A 72 -1.707 14.022 -2.334 1.00 0.00 N ATOM 1169 CA MET A 72 -2.890 13.639 -1.494 1.00 0.00 C ATOM 1170 C MET A 72 -2.347 13.092 -0.173 1.00 0.00 C ATOM 1171 O MET A 72 -2.813 13.444 0.893 1.00 0.00 O ATOM 1172 CB MET A 72 -3.651 12.551 -2.267 1.00 0.00 C ATOM 1173 CG MET A 72 -4.932 12.189 -1.511 1.00 0.00 C ATOM 1174 SD MET A 72 -5.678 10.719 -2.258 1.00 0.00 S ATOM 1175 CE MET A 72 -4.511 9.508 -1.590 1.00 0.00 C ATOM 0 H MET A 72 -1.379 13.304 -2.980 1.00 0.00 H new ATOM 0 HA MET A 72 -3.558 14.475 -1.289 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.895 12.905 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.024 11.667 -2.385 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.707 12.002 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.634 13.022 -1.543 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.818 8.505 -1.887 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.513 9.712 -1.978 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.499 9.576 -0.502 1.00 0.00 H new ATOM 1185 N THR A 73 -1.325 12.256 -0.237 1.00 0.00 N ATOM 1186 CA THR A 73 -0.708 11.717 1.023 1.00 0.00 C ATOM 1187 C THR A 73 -0.286 12.907 1.924 1.00 0.00 C ATOM 1188 O THR A 73 -0.429 12.849 3.132 1.00 0.00 O ATOM 1189 CB THR A 73 0.506 10.866 0.553 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.061 9.550 0.254 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.597 10.791 1.621 1.00 0.00 C ATOM 0 H THR A 73 -0.897 11.928 -1.103 1.00 0.00 H new ATOM 0 HA THR A 73 -1.388 11.104 1.615 1.00 0.00 H new ATOM 0 HB THR A 73 0.930 11.344 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.821 9.008 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.426 10.187 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.953 11.796 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.191 10.336 2.525 1.00 0.00 H new ATOM 1199 N ALA A 74 0.214 13.989 1.346 1.00 0.00 N ATOM 1200 CA ALA A 74 0.615 15.166 2.200 1.00 0.00 C ATOM 1201 C ALA A 74 -0.622 15.703 2.939 1.00 0.00 C ATOM 1202 O ALA A 74 -0.552 16.038 4.107 1.00 0.00 O ATOM 1203 CB ALA A 74 1.171 16.239 1.250 1.00 0.00 C ATOM 0 H ALA A 74 0.358 14.105 0.343 1.00 0.00 H new ATOM 0 HA ALA A 74 1.362 14.884 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.475 17.113 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.032 15.840 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.400 16.526 0.535 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.762 15.771 2.276 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.002 16.269 2.970 1.00 0.00 C ATOM 1211 C LYS A 75 -3.628 15.134 3.801 1.00 0.00 C ATOM 1212 O LYS A 75 -4.163 15.372 4.868 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.971 16.723 1.867 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.093 17.558 2.485 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.169 17.830 1.432 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.457 18.286 2.121 1.00 0.00 C ATOM 1217 NZ LYS A 75 -7.122 19.605 2.726 1.00 0.00 N ATOM 0 H LYS A 75 -1.886 15.507 1.299 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.775 17.090 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.438 17.309 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.388 15.856 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.526 17.031 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.694 18.499 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.826 18.596 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.356 16.929 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.276 18.375 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.773 17.571 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.998 20.133 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.608 19.457 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.526 20.147 2.069 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.558 13.900 3.333 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.148 12.763 4.131 1.00 0.00 C ATOM 1233 C GLU A 76 -3.358 12.518 5.436 1.00 0.00 C ATOM 1234 O GLU A 76 -3.837 11.832 6.318 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.081 11.515 3.236 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.118 10.492 3.706 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.470 10.803 3.062 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.805 11.972 2.967 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.149 9.865 2.675 1.00 0.00 O ATOM 0 H GLU A 76 -3.126 13.634 2.448 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.172 12.998 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.269 11.789 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.082 11.080 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.799 9.485 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.206 10.520 4.792 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.151 13.056 5.579 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.360 12.828 6.832 1.00 0.00 C ATOM 1248 C LYS A 77 -1.092 11.330 7.015 1.00 0.00 C ATOM 1249 O LYS A 77 -1.249 10.798 8.098 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.212 13.375 7.987 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.331 13.571 9.223 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.799 14.807 9.997 1.00 0.00 C ATOM 1253 CE LYS A 77 -0.960 16.019 9.586 1.00 0.00 C ATOM 1254 NZ LYS A 77 -1.778 16.725 8.561 1.00 0.00 N ATOM 0 H LYS A 77 -1.691 13.639 4.880 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.392 13.328 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.669 14.322 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.025 12.684 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.381 12.689 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.289 13.689 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.853 14.997 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.705 14.634 11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.754 16.665 10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.004 15.712 9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.537 17.737 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.582 16.322 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.787 16.610 8.783 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.682 10.639 5.965 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.400 9.162 6.105 1.00 0.00 C ATOM 1270 C PHE A 78 0.659 8.933 7.194 1.00 0.00 C ATOM 1271 O PHE A 78 1.040 9.857 7.889 1.00 0.00 O ATOM 1272 CB PHE A 78 0.100 8.659 4.734 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.058 8.037 3.981 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.837 7.045 4.593 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.361 8.459 2.680 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.915 6.478 3.907 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.442 7.889 1.994 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.218 6.899 2.609 1.00 0.00 C ATOM 0 H PHE A 78 -0.533 11.026 5.033 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.296 8.616 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.520 9.485 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.897 7.927 4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.604 6.718 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.762 9.223 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.514 5.714 4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.677 8.213 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.051 6.460 2.080 1.00 0.00 H new ATOM 1288 N SER A 79 1.133 7.718 7.360 1.00 0.00 N ATOM 1289 CA SER A 79 2.148 7.461 8.414 1.00 0.00 C ATOM 1290 C SER A 79 3.502 7.184 7.753 1.00 0.00 C ATOM 1291 O SER A 79 3.641 7.404 6.565 1.00 0.00 O ATOM 1292 CB SER A 79 1.609 6.253 9.185 1.00 0.00 C ATOM 1293 OG SER A 79 2.089 5.057 8.586 1.00 0.00 O ATOM 0 H SER A 79 0.858 6.903 6.811 1.00 0.00 H new ATOM 0 HA SER A 79 2.308 8.303 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.925 6.303 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.519 6.262 9.181 1.00 0.00 H new ATOM 0 HG SER A 79 1.467 4.324 8.775 1.00 0.00 H new ATOM 1299 N PRO A 80 4.472 6.720 8.517 1.00 0.00 N ATOM 1300 CA PRO A 80 5.797 6.451 7.923 1.00 0.00 C ATOM 1301 C PRO A 80 5.822 5.156 7.088 1.00 0.00 C ATOM 1302 O PRO A 80 6.824 4.864 6.461 1.00 0.00 O ATOM 1303 CB PRO A 80 6.719 6.355 9.126 1.00 0.00 C ATOM 1304 CG PRO A 80 5.851 5.964 10.275 1.00 0.00 C ATOM 1305 CD PRO A 80 4.446 6.409 9.959 1.00 0.00 C ATOM 0 HA PRO A 80 6.092 7.229 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.503 5.616 8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.214 7.307 9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.885 4.886 10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.202 6.430 11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.722 5.626 10.183 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.164 7.282 10.548 1.00 0.00 H new ATOM 1313 N LEU A 81 4.748 4.386 7.038 1.00 0.00 N ATOM 1314 CA LEU A 81 4.771 3.155 6.206 1.00 0.00 C ATOM 1315 C LEU A 81 3.676 3.203 5.130 1.00 0.00 C ATOM 1316 O LEU A 81 3.372 2.190 4.526 1.00 0.00 O ATOM 1317 CB LEU A 81 4.518 2.010 7.182 1.00 0.00 C ATOM 1318 CG LEU A 81 5.868 1.477 7.692 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.788 1.221 9.195 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.214 0.170 6.971 1.00 0.00 C ATOM 0 H LEU A 81 3.875 4.564 7.534 1.00 0.00 H new ATOM 0 HA LEU A 81 5.717 3.039 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.910 2.356 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.960 1.213 6.690 1.00 0.00 H new ATOM 0 HG LEU A 81 6.642 2.218 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.746 0.844 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.550 2.152 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.010 0.485 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.171 -0.204 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.437 -0.570 7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.280 0.353 5.898 1.00 0.00 H new ATOM 1332 N THR A 82 3.073 4.357 4.872 1.00 0.00 N ATOM 1333 CA THR A 82 2.015 4.407 3.831 1.00 0.00 C ATOM 1334 C THR A 82 2.338 5.398 2.689 1.00 0.00 C ATOM 1335 O THR A 82 1.534 5.562 1.789 1.00 0.00 O ATOM 1336 CB THR A 82 0.735 4.806 4.570 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.692 4.133 5.823 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.460 4.373 3.716 1.00 0.00 C ATOM 0 H THR A 82 3.275 5.242 5.337 1.00 0.00 H new ATOM 0 HA THR A 82 1.920 3.441 3.336 1.00 0.00 H new ATOM 0 HB THR A 82 0.708 5.882 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.179 4.657 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.386 4.646 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.414 4.871 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.431 3.293 3.571 1.00 0.00 H new ATOM 1346 N SER A 83 3.506 6.027 2.668 1.00 0.00 N ATOM 1347 CA SER A 83 3.828 6.940 1.528 1.00 0.00 C ATOM 1348 C SER A 83 4.942 6.303 0.680 1.00 0.00 C ATOM 1349 O SER A 83 5.816 6.972 0.165 1.00 0.00 O ATOM 1350 CB SER A 83 4.285 8.254 2.158 1.00 0.00 C ATOM 1351 OG SER A 83 4.504 9.215 1.134 1.00 0.00 O ATOM 0 H SER A 83 4.230 5.943 3.381 1.00 0.00 H new ATOM 0 HA SER A 83 2.976 7.113 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.532 8.616 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.201 8.098 2.728 1.00 0.00 H new ATOM 0 HG SER A 83 5.115 8.845 0.463 1.00 0.00 H new ATOM 1357 N ASN A 84 4.881 5.003 0.515 1.00 0.00 N ATOM 1358 CA ASN A 84 5.883 4.263 -0.313 1.00 0.00 C ATOM 1359 C ASN A 84 5.101 3.162 -1.029 1.00 0.00 C ATOM 1360 O ASN A 84 4.960 3.171 -2.238 1.00 0.00 O ATOM 1361 CB ASN A 84 6.893 3.678 0.679 1.00 0.00 C ATOM 1362 CG ASN A 84 8.319 3.949 0.181 1.00 0.00 C ATOM 1363 OD1 ASN A 84 9.009 3.039 -0.232 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.797 5.170 0.202 1.00 0.00 N ATOM 0 H ASN A 84 4.161 4.411 0.930 1.00 0.00 H new ATOM 0 HA ASN A 84 6.407 4.873 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.750 4.123 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.732 2.605 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.745 5.352 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.221 5.937 0.548 1.00 0.00 H new ATOM 1371 N LEU A 85 4.499 2.263 -0.266 1.00 0.00 N ATOM 1372 CA LEU A 85 3.621 1.226 -0.895 1.00 0.00 C ATOM 1373 C LEU A 85 2.504 1.955 -1.686 1.00 0.00 C ATOM 1374 O LEU A 85 2.002 1.433 -2.664 1.00 0.00 O ATOM 1375 CB LEU A 85 3.026 0.394 0.270 1.00 0.00 C ATOM 1376 CG LEU A 85 1.944 -0.562 -0.249 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.559 -1.547 -1.245 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.345 -1.337 0.928 1.00 0.00 C ATOM 0 H LEU A 85 4.581 2.209 0.749 1.00 0.00 H new ATOM 0 HA LEU A 85 4.160 0.575 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.817 -0.174 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.601 1.061 1.020 1.00 0.00 H new ATOM 0 HG LEU A 85 1.163 0.013 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.787 -2.224 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.987 -0.997 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.342 -2.123 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.576 -2.017 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.129 -1.909 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.903 -0.637 1.637 1.00 0.00 H new ATOM 1390 N ILE A 86 2.120 3.171 -1.284 1.00 0.00 N ATOM 1391 CA ILE A 86 1.053 3.896 -2.055 1.00 0.00 C ATOM 1392 C ILE A 86 1.530 4.135 -3.499 1.00 0.00 C ATOM 1393 O ILE A 86 0.754 4.028 -4.430 1.00 0.00 O ATOM 1394 CB ILE A 86 0.787 5.232 -1.317 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.436 5.922 -1.930 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.001 6.165 -1.424 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.250 6.595 -0.826 1.00 0.00 C ATOM 0 H ILE A 86 2.495 3.669 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 86 0.132 3.315 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 86 0.604 5.014 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.119 6.662 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.052 5.193 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.791 7.097 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.870 5.684 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.205 6.378 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.120 7.086 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.579 5.844 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.632 7.336 -0.319 1.00 0.00 H new ATOM 1409 N ASN A 87 2.801 4.437 -3.699 1.00 0.00 N ATOM 1410 CA ASN A 87 3.294 4.652 -5.103 1.00 0.00 C ATOM 1411 C ASN A 87 3.252 3.312 -5.850 1.00 0.00 C ATOM 1412 O ASN A 87 2.750 3.231 -6.953 1.00 0.00 O ATOM 1413 CB ASN A 87 4.742 5.161 -4.998 1.00 0.00 C ATOM 1414 CG ASN A 87 4.753 6.540 -4.326 1.00 0.00 C ATOM 1415 OD1 ASN A 87 5.401 6.724 -3.314 1.00 0.00 O ATOM 1416 ND2 ASN A 87 4.062 7.526 -4.844 1.00 0.00 N ATOM 0 H ASN A 87 3.502 4.541 -2.966 1.00 0.00 H new ATOM 0 HA ASN A 87 2.679 5.371 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.344 4.459 -4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.189 5.225 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.069 8.443 -4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 87 3.517 7.376 -5.693 1.00 0.00 H new ATOM 1423 N LEU A 88 3.763 2.250 -5.247 1.00 0.00 N ATOM 1424 CA LEU A 88 3.738 0.901 -5.928 1.00 0.00 C ATOM 1425 C LEU A 88 2.314 0.578 -6.403 1.00 0.00 C ATOM 1426 O LEU A 88 2.122 0.089 -7.501 1.00 0.00 O ATOM 1427 CB LEU A 88 4.181 -0.138 -4.883 1.00 0.00 C ATOM 1428 CG LEU A 88 5.673 -0.424 -5.044 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.238 -0.933 -3.717 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.873 -1.491 -6.124 1.00 0.00 C ATOM 0 H LEU A 88 4.192 2.259 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 88 4.397 0.894 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.978 0.233 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.609 -1.058 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 88 6.190 0.490 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.303 -1.138 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.094 -0.176 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.721 -1.848 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.937 -1.696 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.357 -2.406 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.467 -1.132 -7.070 1.00 0.00 H new ATOM 1442 N LEU A 89 1.309 0.863 -5.593 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.102 0.577 -6.039 1.00 0.00 C ATOM 1444 C LEU A 89 -0.400 1.363 -7.324 1.00 0.00 C ATOM 1445 O LEU A 89 -1.057 0.866 -8.219 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.027 1.030 -4.901 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.849 0.089 -3.711 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.615 0.636 -2.504 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.390 -1.292 -4.082 1.00 0.00 C ATOM 0 H LEU A 89 1.402 1.272 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.250 -0.482 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.792 2.054 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.065 1.024 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 89 0.208 0.013 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.487 -0.037 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.230 1.623 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.674 0.712 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.267 -1.970 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.448 -1.213 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.842 -1.679 -4.941 1.00 0.00 H new ATOM 1461 N ALA A 90 0.101 2.578 -7.436 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.137 3.365 -8.682 1.00 0.00 C ATOM 1463 C ALA A 90 1.154 3.435 -9.522 1.00 0.00 C ATOM 1464 O ALA A 90 1.360 4.384 -10.255 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.550 4.763 -8.206 1.00 0.00 C ATOM 0 H ALA A 90 0.658 3.048 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.902 2.913 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.742 5.400 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.454 4.689 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.252 5.195 -7.608 1.00 0.00 H new ATOM 1471 N GLU A 91 2.029 2.441 -9.434 1.00 0.00 N ATOM 1472 CA GLU A 91 3.290 2.487 -10.248 1.00 0.00 C ATOM 1473 C GLU A 91 3.179 1.561 -11.468 1.00 0.00 C ATOM 1474 O GLU A 91 3.466 1.965 -12.579 1.00 0.00 O ATOM 1475 CB GLU A 91 4.412 2.004 -9.322 1.00 0.00 C ATOM 1476 CG GLU A 91 5.686 2.805 -9.602 1.00 0.00 C ATOM 1477 CD GLU A 91 5.468 4.267 -9.207 1.00 0.00 C ATOM 1478 OE1 GLU A 91 5.729 4.596 -8.061 1.00 0.00 O ATOM 1479 OE2 GLU A 91 5.043 5.033 -10.056 1.00 0.00 O ATOM 0 H GLU A 91 1.921 1.617 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 91 3.481 3.493 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.115 2.125 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.596 0.941 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.522 2.387 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.946 2.738 -10.658 1.00 0.00 H new ATOM 1486 N ASN A 92 2.772 0.320 -11.279 1.00 0.00 N ATOM 1487 CA ASN A 92 2.662 -0.612 -12.446 1.00 0.00 C ATOM 1488 C ASN A 92 1.197 -1.018 -12.702 1.00 0.00 C ATOM 1489 O ASN A 92 0.938 -2.105 -13.185 1.00 0.00 O ATOM 1490 CB ASN A 92 3.491 -1.836 -12.052 1.00 0.00 C ATOM 1491 CG ASN A 92 4.969 -1.443 -11.951 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.284 -0.305 -11.662 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.901 -2.338 -12.176 1.00 0.00 N ATOM 0 H ASN A 92 2.515 -0.079 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 92 3.016 -0.146 -13.366 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.143 -2.232 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.364 -2.627 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.885 -2.078 -12.108 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.642 -3.294 -12.419 1.00 0.00 H new ATOM 1500 N GLY A 93 0.237 -0.167 -12.391 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.187 -0.532 -12.631 1.00 0.00 C ATOM 1502 C GLY A 93 -1.662 -1.456 -11.507 1.00 0.00 C ATOM 1503 O GLY A 93 -2.289 -2.468 -11.758 1.00 0.00 O ATOM 0 H GLY A 93 0.386 0.756 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.805 0.365 -12.667 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.291 -1.029 -13.596 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.370 -1.120 -10.265 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.819 -1.996 -9.141 1.00 0.00 C ATOM 1509 C ARG A 94 -3.013 -1.367 -8.404 1.00 0.00 C ATOM 1510 O ARG A 94 -3.157 -1.532 -7.206 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.610 -2.125 -8.206 1.00 0.00 C ATOM 1512 CG ARG A 94 0.391 -3.119 -8.802 1.00 0.00 C ATOM 1513 CD ARG A 94 0.010 -4.546 -8.393 1.00 0.00 C ATOM 1514 NE ARG A 94 -0.559 -5.162 -9.624 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.203 -5.872 -10.410 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.753 -6.970 -9.968 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.417 -5.485 -11.638 1.00 0.00 N ATOM 0 H ARG A 94 -0.848 -0.288 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.153 -2.969 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.136 -1.153 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.932 -2.463 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.401 -3.032 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.398 -2.888 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.879 -5.101 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.717 -4.543 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.544 -5.029 -9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.587 -7.273 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.349 -7.525 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.012 -4.627 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.013 -6.041 -12.251 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.887 -0.666 -9.106 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.078 -0.064 -8.424 1.00 0.00 C ATOM 1533 C LEU A 95 -6.352 -0.832 -8.820 1.00 0.00 C ATOM 1534 O LEU A 95 -7.432 -0.274 -8.862 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.134 1.390 -8.909 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.079 2.219 -8.171 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.981 3.606 -8.808 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.474 2.365 -6.700 1.00 0.00 C ATOM 0 H LEU A 95 -3.824 -0.490 -10.109 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.005 -0.114 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.958 1.432 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.126 1.805 -8.732 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.115 1.716 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.230 4.196 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.696 3.506 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.947 4.106 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.721 2.955 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.440 2.865 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.543 1.378 -6.242 1.00 0.00 H new ATOM 1550 N THR A 96 -6.236 -2.119 -9.078 1.00 0.00 N ATOM 1551 CA THR A 96 -7.432 -2.936 -9.432 1.00 0.00 C ATOM 1552 C THR A 96 -7.663 -3.942 -8.299 1.00 0.00 C ATOM 1553 O THR A 96 -8.729 -3.990 -7.713 1.00 0.00 O ATOM 1554 CB THR A 96 -7.071 -3.650 -10.737 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.917 -4.452 -10.532 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.787 -2.610 -11.823 1.00 0.00 C ATOM 0 H THR A 96 -5.356 -2.634 -9.056 1.00 0.00 H new ATOM 0 HA THR A 96 -8.341 -2.347 -9.559 1.00 0.00 H new ATOM 0 HB THR A 96 -7.901 -4.283 -11.050 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.685 -4.911 -11.366 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.530 -3.116 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.673 -1.994 -11.978 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.956 -1.977 -11.512 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.651 -4.718 -7.954 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.798 -5.681 -6.827 1.00 0.00 C ATOM 1566 C ASN A 97 -6.106 -5.118 -5.569 1.00 0.00 C ATOM 1567 O ASN A 97 -5.581 -5.869 -4.768 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.102 -6.966 -7.289 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.827 -7.530 -8.518 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.868 -8.142 -8.390 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.320 -7.352 -9.714 1.00 0.00 N ATOM 0 H ASN A 97 -5.738 -4.719 -8.408 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.843 -5.862 -6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.060 -6.760 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.103 -7.701 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.800 -7.727 -10.532 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.446 -6.839 -9.826 1.00 0.00 H new ATOM 1578 N THR A 98 -6.095 -3.799 -5.378 1.00 0.00 N ATOM 1579 CA THR A 98 -5.423 -3.238 -4.156 1.00 0.00 C ATOM 1580 C THR A 98 -6.064 -3.734 -2.832 1.00 0.00 C ATOM 1581 O THR A 98 -5.335 -3.935 -1.879 1.00 0.00 O ATOM 1582 CB THR A 98 -5.465 -1.696 -4.264 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.599 -1.136 -3.288 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.881 -1.167 -4.042 1.00 0.00 C ATOM 0 H THR A 98 -6.514 -3.111 -6.004 1.00 0.00 H new ATOM 0 HA THR A 98 -4.393 -3.592 -4.121 1.00 0.00 H new ATOM 0 HB THR A 98 -5.143 -1.411 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.621 -0.158 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.880 -0.080 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.548 -1.587 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.226 -1.456 -3.049 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.384 -3.930 -2.765 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.980 -4.409 -1.485 1.00 0.00 C ATOM 1594 C PRO A 99 -7.445 -5.804 -1.126 1.00 0.00 C ATOM 1595 O PRO A 99 -7.240 -6.105 0.036 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.483 -4.437 -1.763 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.583 -4.555 -3.243 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.435 -3.755 -3.795 1.00 0.00 C ATOM 0 HA PRO A 99 -7.732 -3.772 -0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.964 -5.278 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.971 -3.531 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.521 -5.597 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.537 -4.170 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.114 -4.128 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.700 -2.706 -3.927 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.199 -6.660 -2.103 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.656 -8.030 -1.773 1.00 0.00 C ATOM 1608 C ALA A 100 -5.340 -7.896 -0.984 1.00 0.00 C ATOM 1609 O ALA A 100 -5.088 -8.655 -0.066 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.398 -8.742 -3.111 1.00 0.00 C ATOM 0 H ALA A 100 -7.347 -6.475 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.360 -8.594 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.003 -9.740 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.332 -8.821 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.676 -8.171 -3.694 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.503 -6.933 -1.325 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.212 -6.766 -0.565 1.00 0.00 C ATOM 1618 C VAL A 101 -3.513 -6.333 0.879 1.00 0.00 C ATOM 1619 O VAL A 101 -2.878 -6.795 1.809 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.403 -5.675 -1.290 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.056 -5.478 -0.589 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.157 -6.100 -2.739 1.00 0.00 C ATOM 0 H VAL A 101 -4.654 -6.267 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.652 -7.701 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.964 -4.741 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.487 -4.705 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.225 -5.175 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.497 -6.413 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.584 -5.328 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.599 -7.036 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.113 -6.239 -3.244 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.480 -5.457 1.080 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.805 -5.018 2.484 1.00 0.00 C ATOM 1634 C ILE A 102 -5.368 -6.208 3.282 1.00 0.00 C ATOM 1635 O ILE A 102 -5.050 -6.377 4.444 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.855 -3.896 2.369 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.265 -2.728 1.569 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.245 -3.405 3.767 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.355 -2.096 0.699 1.00 0.00 C ATOM 0 H ILE A 102 -5.049 -5.034 0.346 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.918 -4.659 3.005 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.739 -4.282 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.850 -1.983 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.445 -3.081 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.988 -2.612 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.663 -4.233 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.362 -3.021 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.933 -1.266 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.749 -2.843 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.160 -1.728 1.335 1.00 0.00 H new ATOM 1651 N SER A 103 -6.196 -7.037 2.672 1.00 0.00 N ATOM 1652 CA SER A 103 -6.757 -8.215 3.431 1.00 0.00 C ATOM 1653 C SER A 103 -5.607 -9.128 3.879 1.00 0.00 C ATOM 1654 O SER A 103 -5.540 -9.521 5.028 1.00 0.00 O ATOM 1655 CB SER A 103 -7.688 -8.967 2.467 1.00 0.00 C ATOM 1656 OG SER A 103 -8.980 -8.374 2.505 1.00 0.00 O ATOM 0 H SER A 103 -6.502 -6.953 1.703 1.00 0.00 H new ATOM 0 HA SER A 103 -7.302 -7.894 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.288 -8.930 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.749 -10.018 2.748 1.00 0.00 H new ATOM 0 HG SER A 103 -9.577 -8.850 1.890 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.689 -9.456 2.988 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.531 -10.334 3.401 1.00 0.00 C ATOM 1664 C ALA A 104 -2.789 -9.700 4.594 1.00 0.00 C ATOM 1665 O ALA A 104 -2.286 -10.399 5.453 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.593 -10.430 2.187 1.00 0.00 C ATOM 0 H ALA A 104 -4.689 -9.161 2.012 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.876 -11.321 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.737 -11.057 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.130 -10.868 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.245 -9.433 1.916 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.722 -8.380 4.662 1.00 0.00 N ATOM 1673 CA PHE A 105 -2.013 -7.719 5.819 1.00 0.00 C ATOM 1674 C PHE A 105 -2.627 -8.191 7.145 1.00 0.00 C ATOM 1675 O PHE A 105 -1.916 -8.479 8.090 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.233 -6.206 5.655 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.240 -5.442 6.500 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.283 -5.530 7.897 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.277 -4.637 5.882 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.366 -4.815 8.669 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.638 -3.923 6.658 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.592 -4.013 8.051 1.00 0.00 C ATOM 0 H PHE A 105 -3.122 -7.741 3.975 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.952 -7.969 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.122 -5.926 4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.250 -5.945 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.025 -6.151 8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.241 -4.568 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.399 -4.883 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.381 -3.301 6.181 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.300 -3.460 8.650 1.00 0.00 H new ATOM 1692 N SER A 106 -3.941 -8.271 7.224 1.00 0.00 N ATOM 1693 CA SER A 106 -4.575 -8.729 8.512 1.00 0.00 C ATOM 1694 C SER A 106 -4.224 -10.199 8.772 1.00 0.00 C ATOM 1695 O SER A 106 -3.947 -10.580 9.894 1.00 0.00 O ATOM 1696 CB SER A 106 -6.093 -8.562 8.347 1.00 0.00 C ATOM 1697 OG SER A 106 -6.433 -7.190 8.496 1.00 0.00 O ATOM 0 H SER A 106 -4.590 -8.045 6.470 1.00 0.00 H new ATOM 0 HA SER A 106 -4.213 -8.146 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.406 -8.922 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.619 -9.162 9.089 1.00 0.00 H new ATOM 0 HG SER A 106 -7.401 -7.079 8.390 1.00 0.00 H new ATOM 1703 N THR A 107 -4.220 -11.030 7.749 1.00 0.00 N ATOM 1704 CA THR A 107 -3.866 -12.475 7.972 1.00 0.00 C ATOM 1705 C THR A 107 -2.362 -12.607 8.238 1.00 0.00 C ATOM 1706 O THR A 107 -1.952 -13.413 9.054 1.00 0.00 O ATOM 1707 CB THR A 107 -4.257 -13.236 6.694 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.579 -12.877 6.318 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.187 -14.742 6.951 1.00 0.00 C ATOM 0 H THR A 107 -4.442 -10.776 6.786 1.00 0.00 H new ATOM 0 HA THR A 107 -4.393 -12.882 8.835 1.00 0.00 H new ATOM 0 HB THR A 107 -3.567 -12.977 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.830 -13.360 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.464 -15.279 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.172 -15.015 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.875 -15.006 7.754 1.00 0.00 H new ATOM 1717 N MET A 108 -1.531 -11.816 7.584 1.00 0.00 N ATOM 1718 CA MET A 108 -0.060 -11.920 7.859 1.00 0.00 C ATOM 1719 C MET A 108 0.240 -11.336 9.246 1.00 0.00 C ATOM 1720 O MET A 108 1.099 -11.829 9.952 1.00 0.00 O ATOM 1721 CB MET A 108 0.659 -11.113 6.774 1.00 0.00 C ATOM 1722 CG MET A 108 0.434 -11.770 5.409 1.00 0.00 C ATOM 1723 SD MET A 108 1.245 -13.389 5.369 1.00 0.00 S ATOM 1724 CE MET A 108 1.869 -13.290 3.673 1.00 0.00 C ATOM 0 H MET A 108 -1.803 -11.121 6.889 1.00 0.00 H new ATOM 0 HA MET A 108 0.275 -12.957 7.846 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.286 -10.089 6.762 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.726 -11.061 6.992 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.634 -11.883 5.221 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.832 -11.134 4.618 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.523 -14.155 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 108 1.502 -12.378 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.959 -13.278 3.686 1.00 0.00 H new ATOM 1734 N MET A 109 -0.469 -10.293 9.657 1.00 0.00 N ATOM 1735 CA MET A 109 -0.206 -9.712 11.021 1.00 0.00 C ATOM 1736 C MET A 109 -0.390 -10.800 12.090 1.00 0.00 C ATOM 1737 O MET A 109 0.358 -10.855 13.042 1.00 0.00 O ATOM 1738 CB MET A 109 -1.232 -8.585 11.232 1.00 0.00 C ATOM 1739 CG MET A 109 -0.978 -7.906 12.580 1.00 0.00 C ATOM 1740 SD MET A 109 -2.014 -6.428 12.716 1.00 0.00 S ATOM 1741 CE MET A 109 -2.320 -6.529 14.497 1.00 0.00 C ATOM 0 H MET A 109 -1.201 -9.832 9.117 1.00 0.00 H new ATOM 0 HA MET A 109 0.812 -9.329 11.098 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.157 -7.855 10.426 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.244 -8.990 11.202 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.201 -8.595 13.394 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.074 -7.635 12.670 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.952 -5.696 14.805 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.820 -7.470 14.727 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.372 -6.482 15.032 1.00 0.00 H new ATOM 1751 N SER A 110 -1.356 -11.686 11.944 1.00 0.00 N ATOM 1752 CA SER A 110 -1.523 -12.767 12.992 1.00 0.00 C ATOM 1753 C SER A 110 -0.208 -13.550 13.173 1.00 0.00 C ATOM 1754 O SER A 110 0.090 -14.008 14.261 1.00 0.00 O ATOM 1755 CB SER A 110 -2.636 -13.700 12.498 1.00 0.00 C ATOM 1756 OG SER A 110 -3.859 -12.981 12.437 1.00 0.00 O ATOM 0 H SER A 110 -2.020 -11.713 11.170 1.00 0.00 H new ATOM 0 HA SER A 110 -1.780 -12.333 13.958 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.384 -14.096 11.514 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.736 -14.553 13.169 1.00 0.00 H new ATOM 0 HG SER A 110 -4.572 -13.574 12.120 1.00 0.00 H new ATOM 1762 N VAL A 111 0.591 -13.696 12.132 1.00 0.00 N ATOM 1763 CA VAL A 111 1.891 -14.441 12.295 1.00 0.00 C ATOM 1764 C VAL A 111 2.974 -13.547 12.944 1.00 0.00 C ATOM 1765 O VAL A 111 4.020 -14.041 13.323 1.00 0.00 O ATOM 1766 CB VAL A 111 2.328 -14.873 10.885 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.610 -15.704 10.974 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.224 -15.716 10.242 1.00 0.00 C ATOM 0 H VAL A 111 0.404 -13.339 11.195 1.00 0.00 H new ATOM 0 HA VAL A 111 1.759 -15.300 12.952 1.00 0.00 H new ATOM 0 HB VAL A 111 2.511 -13.985 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.917 -16.008 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.400 -15.107 11.430 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.428 -16.590 11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.535 -16.022 9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.040 -16.601 10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.310 -15.127 10.173 1.00 0.00 H new ATOM 1778 N HIS A 112 2.746 -12.251 13.098 1.00 0.00 N ATOM 1779 CA HIS A 112 3.777 -11.384 13.738 1.00 0.00 C ATOM 1780 C HIS A 112 3.552 -11.330 15.271 1.00 0.00 C ATOM 1781 O HIS A 112 4.469 -11.035 16.014 1.00 0.00 O ATOM 1782 CB HIS A 112 3.633 -10.001 13.038 1.00 0.00 C ATOM 1783 CG HIS A 112 2.930 -8.982 13.905 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.624 -9.124 14.337 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.368 -7.814 14.433 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.329 -8.057 15.096 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.362 -7.221 15.190 1.00 0.00 N ATOM 0 H HIS A 112 1.894 -11.771 12.807 1.00 0.00 H new ATOM 0 HA HIS A 112 4.794 -11.758 13.618 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.622 -9.627 12.773 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.079 -10.125 12.107 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.998 -9.899 14.118 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.356 -7.402 14.287 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.373 -7.896 15.572 1.00 0.00 H new ATOM 1795 N ARG A 113 2.347 -11.604 15.754 1.00 0.00 N ATOM 1796 CA ARG A 113 2.118 -11.551 17.235 1.00 0.00 C ATOM 1797 C ARG A 113 2.218 -12.954 17.871 1.00 0.00 C ATOM 1798 O ARG A 113 2.499 -13.074 19.049 1.00 0.00 O ATOM 1799 CB ARG A 113 0.705 -10.981 17.422 1.00 0.00 C ATOM 1800 CG ARG A 113 0.480 -10.650 18.899 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.466 -9.453 19.015 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.108 -9.598 20.350 1.00 0.00 N ATOM 1803 CZ ARG A 113 -0.442 -9.297 21.431 1.00 0.00 C ATOM 1804 NH1 ARG A 113 0.039 -8.093 21.588 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.255 -10.199 22.356 1.00 0.00 N ATOM 0 H ARG A 113 1.533 -11.856 15.193 1.00 0.00 H new ATOM 0 HA ARG A 113 2.874 -10.935 17.723 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.579 -10.085 16.814 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.038 -11.703 17.083 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.058 -11.512 19.416 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.431 -10.424 19.381 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.078 -8.511 18.939 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.209 -9.458 18.217 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.069 -9.933 20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.106 -7.388 20.866 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.560 -7.858 22.433 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.630 -11.140 22.234 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.266 -9.963 23.201 1.00 0.00 H new ATOM 1819 N GLY A 114 1.984 -14.022 17.120 1.00 0.00 N ATOM 1820 CA GLY A 114 2.064 -15.394 17.714 1.00 0.00 C ATOM 1821 C GLY A 114 3.430 -15.614 18.385 1.00 0.00 C ATOM 1822 O GLY A 114 3.498 -15.943 19.556 1.00 0.00 O ATOM 0 H GLY A 114 1.743 -13.993 16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.267 -15.526 18.446 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.910 -16.142 16.937 1.00 0.00 H new ATOM 2000 N GLU B 7 8.954 -8.070 -6.588 1.00 0.00 N ATOM 2001 CA GLU B 7 8.942 -7.733 -5.125 1.00 0.00 C ATOM 2002 C GLU B 7 9.726 -6.436 -4.885 1.00 0.00 C ATOM 2003 O GLU B 7 10.589 -6.378 -4.029 1.00 0.00 O ATOM 2004 CB GLU B 7 9.614 -8.916 -4.416 1.00 0.00 C ATOM 2005 CG GLU B 7 8.863 -9.232 -3.121 1.00 0.00 C ATOM 2006 CD GLU B 7 9.568 -10.376 -2.389 1.00 0.00 C ATOM 2007 OE1 GLU B 7 9.837 -11.382 -3.024 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.827 -10.227 -1.207 1.00 0.00 O ATOM 0 HA GLU B 7 7.931 -7.574 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.618 -9.789 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.655 -8.678 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.825 -8.348 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU B 7 7.833 -9.509 -3.344 1.00 0.00 H new ATOM 2015 N VAL B 8 9.434 -5.392 -5.638 1.00 0.00 N ATOM 2016 CA VAL B 8 10.181 -4.095 -5.438 1.00 0.00 C ATOM 2017 C VAL B 8 9.997 -3.608 -3.991 1.00 0.00 C ATOM 2018 O VAL B 8 10.934 -3.145 -3.369 1.00 0.00 O ATOM 2019 CB VAL B 8 9.590 -3.078 -6.431 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.296 -1.729 -6.269 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.795 -3.587 -7.859 1.00 0.00 C ATOM 0 H VAL B 8 8.724 -5.379 -6.370 1.00 0.00 H new ATOM 0 HA VAL B 8 11.249 -4.222 -5.613 1.00 0.00 H new ATOM 0 HB VAL B 8 8.525 -2.956 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.875 -1.011 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.155 -1.364 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.361 -1.850 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.377 -2.869 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.861 -3.708 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.293 -4.547 -7.979 1.00 0.00 H new ATOM 2031 N SER B 9 8.803 -3.722 -3.443 1.00 0.00 N ATOM 2032 CA SER B 9 8.599 -3.271 -2.017 1.00 0.00 C ATOM 2033 C SER B 9 9.536 -4.058 -1.084 1.00 0.00 C ATOM 2034 O SER B 9 10.033 -3.522 -0.111 1.00 0.00 O ATOM 2035 CB SER B 9 7.133 -3.559 -1.664 1.00 0.00 C ATOM 2036 OG SER B 9 7.021 -3.766 -0.262 1.00 0.00 O ATOM 0 H SER B 9 7.977 -4.099 -3.908 1.00 0.00 H new ATOM 0 HA SER B 9 8.823 -2.211 -1.902 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.502 -2.725 -1.972 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.783 -4.440 -2.203 1.00 0.00 H new ATOM 0 HG SER B 9 6.086 -3.949 -0.032 1.00 0.00 H new ATOM 2042 N SER B 10 9.794 -5.322 -1.376 1.00 0.00 N ATOM 2043 CA SER B 10 10.718 -6.114 -0.490 1.00 0.00 C ATOM 2044 C SER B 10 12.135 -5.533 -0.577 1.00 0.00 C ATOM 2045 O SER B 10 12.722 -5.176 0.428 1.00 0.00 O ATOM 2046 CB SER B 10 10.705 -7.555 -1.018 1.00 0.00 C ATOM 2047 OG SER B 10 11.784 -8.278 -0.441 1.00 0.00 O ATOM 0 H SER B 10 9.412 -5.829 -2.174 1.00 0.00 H new ATOM 0 HA SER B 10 10.400 -6.078 0.552 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.758 -8.036 -0.772 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.791 -7.557 -2.105 1.00 0.00 H new ATOM 0 HG SER B 10 11.580 -9.236 -0.454 1.00 0.00 H new ATOM 2053 N ILE B 11 12.691 -5.424 -1.768 1.00 0.00 N ATOM 2054 CA ILE B 11 14.078 -4.848 -1.884 1.00 0.00 C ATOM 2055 C ILE B 11 14.085 -3.395 -1.368 1.00 0.00 C ATOM 2056 O ILE B 11 15.048 -2.960 -0.765 1.00 0.00 O ATOM 2057 CB ILE B 11 14.480 -4.917 -3.375 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.935 -4.471 -3.530 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.582 -4.010 -4.221 1.00 0.00 C ATOM 2060 CD1 ILE B 11 16.520 -5.075 -4.809 1.00 0.00 C ATOM 0 H ILE B 11 12.256 -5.702 -2.647 1.00 0.00 H new ATOM 0 HA ILE B 11 14.793 -5.409 -1.282 1.00 0.00 H new ATOM 0 HB ILE B 11 14.364 -5.945 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.991 -3.383 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.518 -4.788 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.882 -4.074 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.545 -4.330 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.679 -2.980 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE B 11 17.557 -4.758 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.478 -6.163 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.943 -4.736 -5.669 1.00 0.00 H new ATOM 2072 N LEU B 12 13.017 -2.644 -1.582 1.00 0.00 N ATOM 2073 CA LEU B 12 12.995 -1.230 -1.069 1.00 0.00 C ATOM 2074 C LEU B 12 12.963 -1.240 0.468 1.00 0.00 C ATOM 2075 O LEU B 12 13.597 -0.420 1.106 1.00 0.00 O ATOM 2076 CB LEU B 12 11.718 -0.574 -1.622 1.00 0.00 C ATOM 2077 CG LEU B 12 11.953 0.927 -1.803 1.00 0.00 C ATOM 2078 CD1 LEU B 12 11.001 1.468 -2.872 1.00 0.00 C ATOM 2079 CD2 LEU B 12 11.691 1.647 -0.478 1.00 0.00 C ATOM 0 H LEU B 12 12.178 -2.944 -2.079 1.00 0.00 H new ATOM 0 HA LEU B 12 13.881 -0.679 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.447 -1.028 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.885 -0.743 -0.940 1.00 0.00 H new ATOM 0 HG LEU B 12 12.984 1.098 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU B 12 11.168 2.537 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU B 12 11.185 0.955 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU B 12 9.970 1.297 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.858 2.716 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU B 12 10.660 1.475 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.368 1.263 0.285 1.00 0.00 H new ATOM 2091 N GLU B 13 12.237 -2.164 1.074 1.00 0.00 N ATOM 2092 CA GLU B 13 12.192 -2.205 2.582 1.00 0.00 C ATOM 2093 C GLU B 13 13.610 -2.392 3.149 1.00 0.00 C ATOM 2094 O GLU B 13 13.954 -1.808 4.160 1.00 0.00 O ATOM 2095 CB GLU B 13 11.307 -3.402 2.969 1.00 0.00 C ATOM 2096 CG GLU B 13 11.029 -3.365 4.473 1.00 0.00 C ATOM 2097 CD GLU B 13 10.188 -2.132 4.809 1.00 0.00 C ATOM 2098 OE1 GLU B 13 9.000 -2.157 4.533 1.00 0.00 O ATOM 2099 OE2 GLU B 13 10.746 -1.184 5.335 1.00 0.00 O ATOM 0 H GLU B 13 11.684 -2.878 0.600 1.00 0.00 H new ATOM 0 HA GLU B 13 11.791 -1.275 2.986 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.369 -3.369 2.414 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.803 -4.336 2.703 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.504 -4.270 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.968 -3.339 5.026 1.00 0.00 H new ATOM 2106 N GLU B 14 14.441 -3.196 2.509 1.00 0.00 N ATOM 2107 CA GLU B 14 15.842 -3.396 3.039 1.00 0.00 C ATOM 2108 C GLU B 14 16.572 -2.044 3.133 1.00 0.00 C ATOM 2109 O GLU B 14 17.313 -1.804 4.067 1.00 0.00 O ATOM 2110 CB GLU B 14 16.565 -4.318 2.044 1.00 0.00 C ATOM 2111 CG GLU B 14 17.959 -4.653 2.578 1.00 0.00 C ATOM 2112 CD GLU B 14 18.759 -5.378 1.495 1.00 0.00 C ATOM 2113 OE1 GLU B 14 18.665 -4.977 0.347 1.00 0.00 O ATOM 2114 OE2 GLU B 14 19.454 -6.324 1.833 1.00 0.00 O ATOM 0 H GLU B 14 14.217 -3.713 1.659 1.00 0.00 H new ATOM 0 HA GLU B 14 15.823 -3.834 4.037 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.991 -5.233 1.897 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.644 -3.831 1.072 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.475 -3.740 2.877 1.00 0.00 H new ATOM 0 HG3 GLU B 14 17.879 -5.279 3.467 1.00 0.00 H new