USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 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 16 THR OG1 : rot 115:sc= 0.208 USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 11 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.058 (180deg=-0.52) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -93:sc= 2.17 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00717 USER MOD Single : A 34 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.6!) USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= -1.86 (180deg=-3.48!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0954) USER MOD Single : A 40 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0723 (180deg=-0.532) USER MOD Single : A 49 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.0029) USER MOD Single : A 50 GLN : amide:sc= -8.19! C(o=-8.2!,f=-9.5!) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 58 GLN : amide:sc= -3.15! K(o=-3.1!,f=-0.41) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 66 SER OG : rot 180:sc=-0.000635 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 160:sc= -0.021 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -0.872 K(o=-0.87,f=-2.4) USER MOD Single : A 99 LYS NZ :NH3+ -138:sc=-0.00554 (180deg=-0.497) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.025 -1.544 -0.198 1.00 0.00 N ATOM 165 CA GLN A 11 103.004 -0.597 -0.628 1.00 0.00 C ATOM 166 C GLN A 11 101.804 -1.338 -1.217 1.00 0.00 C ATOM 167 O GLN A 11 101.913 -1.998 -2.252 1.00 0.00 O ATOM 168 CB GLN A 11 103.597 0.371 -1.658 1.00 0.00 C ATOM 169 CG GLN A 11 104.119 -0.406 -2.873 1.00 0.00 C ATOM 170 CD GLN A 11 105.281 0.347 -3.516 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.399 0.321 -3.003 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.079 1.020 -4.615 1.00 0.00 N ATOM 0 HA GLN A 11 102.662 -0.027 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.839 1.088 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.408 0.943 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.445 -1.400 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.318 -0.543 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.151 1.040 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.849 1.527 -5.052 1.00 0.00 H new ATOM 181 N ILE A 12 100.663 -1.237 -0.537 1.00 0.00 N ATOM 182 CA ILE A 12 99.447 -1.915 -0.988 1.00 0.00 C ATOM 183 C ILE A 12 98.858 -1.230 -2.214 1.00 0.00 C ATOM 184 O ILE A 12 99.318 -0.166 -2.625 1.00 0.00 O ATOM 185 CB ILE A 12 98.403 -1.929 0.133 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.113 -0.490 0.582 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.928 -2.743 1.319 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.823 -0.456 1.406 1.00 0.00 C ATOM 0 H ILE A 12 100.554 -0.697 0.321 1.00 0.00 H new ATOM 0 HA ILE A 12 99.715 -2.937 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 12 97.484 -2.385 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.945 -0.109 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 12 98.018 0.160 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.182 -2.750 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.127 -3.766 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.849 -2.293 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.621 0.567 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.994 -0.819 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.935 -1.092 2.284 1.00 0.00 H new ATOM 200 N PHE A 13 97.823 -1.847 -2.782 1.00 0.00 N ATOM 201 CA PHE A 13 97.159 -1.289 -3.952 1.00 0.00 C ATOM 202 C PHE A 13 95.671 -1.167 -3.693 1.00 0.00 C ATOM 203 O PHE A 13 95.072 -2.045 -3.079 1.00 0.00 O ATOM 204 CB PHE A 13 97.404 -2.178 -5.172 1.00 0.00 C ATOM 205 CG PHE A 13 98.880 -2.194 -5.491 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.740 -3.041 -4.782 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.386 -1.357 -6.491 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.109 -3.052 -5.077 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.754 -1.368 -6.786 1.00 0.00 C ATOM 210 CZ PHE A 13 101.616 -2.215 -6.078 1.00 0.00 C ATOM 0 H PHE A 13 97.430 -2.728 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 13 97.569 -0.299 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.052 -3.191 -4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.840 -1.805 -6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.348 -3.685 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 13 98.721 -0.703 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.774 -3.706 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.145 -0.724 -7.559 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.672 -2.222 -6.304 1.00 0.00 H new ATOM 220 N ALA A 14 95.085 -0.068 -4.154 1.00 0.00 N ATOM 221 CA ALA A 14 93.661 0.168 -3.958 1.00 0.00 C ATOM 222 C ALA A 14 92.986 0.526 -5.276 1.00 0.00 C ATOM 223 O ALA A 14 93.610 1.102 -6.170 1.00 0.00 O ATOM 224 CB ALA A 14 93.460 1.304 -2.952 1.00 0.00 C ATOM 0 H ALA A 14 95.571 0.670 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 14 93.209 -0.746 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.394 1.478 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.915 1.032 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.928 2.213 -3.331 1.00 0.00 H new ATOM 230 N LYS A 15 91.704 0.184 -5.384 1.00 0.00 N ATOM 231 CA LYS A 15 90.940 0.475 -6.592 1.00 0.00 C ATOM 232 C LYS A 15 89.607 1.126 -6.239 1.00 0.00 C ATOM 233 O LYS A 15 88.796 0.547 -5.518 1.00 0.00 O ATOM 234 CB LYS A 15 90.691 -0.809 -7.386 1.00 0.00 C ATOM 235 CG LYS A 15 90.290 -0.446 -8.822 1.00 0.00 C ATOM 236 CD LYS A 15 91.229 -1.137 -9.817 1.00 0.00 C ATOM 237 CE LYS A 15 90.841 -2.613 -9.957 1.00 0.00 C ATOM 238 NZ LYS A 15 89.543 -2.720 -10.680 1.00 0.00 N ATOM 0 H LYS A 15 91.176 -0.292 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 15 91.520 1.166 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.589 -1.427 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.903 -1.396 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.260 -0.750 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.333 0.635 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.173 -0.643 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.261 -1.053 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.617 -3.154 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.760 -3.073 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.472 -3.656 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 88.760 -2.598 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 89.490 -1.981 -11.410 1.00 0.00 H new ATOM 252 N THR A 16 89.392 2.334 -6.753 1.00 0.00 N ATOM 253 CA THR A 16 88.153 3.059 -6.485 1.00 0.00 C ATOM 254 C THR A 16 86.973 2.391 -7.186 1.00 0.00 C ATOM 255 O THR A 16 87.150 1.457 -7.968 1.00 0.00 O ATOM 256 CB THR A 16 88.276 4.508 -6.965 1.00 0.00 C ATOM 257 OG1 THR A 16 88.501 4.522 -8.368 1.00 0.00 O ATOM 258 CG2 THR A 16 89.444 5.192 -6.251 1.00 0.00 C ATOM 0 H THR A 16 90.053 2.828 -7.352 1.00 0.00 H new ATOM 0 HA THR A 16 87.978 3.045 -5.409 1.00 0.00 H new ATOM 0 HB THR A 16 87.355 5.044 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.740 4.946 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.528 6.223 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.269 5.182 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.369 4.659 -6.473 1.00 0.00 H new ATOM 266 N LEU A 17 85.769 2.884 -6.901 1.00 0.00 N ATOM 267 CA LEU A 17 84.562 2.335 -7.510 1.00 0.00 C ATOM 268 C LEU A 17 84.645 2.438 -9.030 1.00 0.00 C ATOM 269 O LEU A 17 84.366 1.474 -9.745 1.00 0.00 O ATOM 270 CB LEU A 17 83.331 3.100 -6.996 1.00 0.00 C ATOM 271 CG LEU A 17 82.029 2.467 -7.521 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.792 2.878 -8.979 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.105 0.937 -7.422 1.00 0.00 C ATOM 0 H LEU A 17 85.605 3.657 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 17 84.471 1.284 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.327 3.099 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.387 4.141 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 17 81.200 2.823 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 17 80.869 2.424 -9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.712 3.963 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.626 2.539 -9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.178 0.502 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 82.943 0.575 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.248 0.646 -6.381 1.00 0.00 H new ATOM 285 N THR A 18 85.035 3.615 -9.514 1.00 0.00 N ATOM 286 CA THR A 18 85.157 3.847 -10.950 1.00 0.00 C ATOM 287 C THR A 18 86.212 2.926 -11.562 1.00 0.00 C ATOM 288 O THR A 18 86.191 2.661 -12.765 1.00 0.00 O ATOM 289 CB THR A 18 85.530 5.309 -11.211 1.00 0.00 C ATOM 290 OG1 THR A 18 86.760 5.604 -10.564 1.00 0.00 O ATOM 291 CG2 THR A 18 84.429 6.229 -10.666 1.00 0.00 C ATOM 0 H THR A 18 85.271 4.420 -8.934 1.00 0.00 H new ATOM 0 HA THR A 18 84.196 3.629 -11.416 1.00 0.00 H new ATOM 0 HB THR A 18 85.634 5.471 -12.284 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.001 6.539 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.698 7.269 -10.853 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.486 6.003 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.320 6.070 -9.593 1.00 0.00 H new ATOM 299 N GLY A 19 87.124 2.431 -10.725 1.00 0.00 N ATOM 300 CA GLY A 19 88.173 1.526 -11.193 1.00 0.00 C ATOM 301 C GLY A 19 89.513 2.243 -11.367 1.00 0.00 C ATOM 302 O GLY A 19 90.228 2.003 -12.341 1.00 0.00 O ATOM 0 H GLY A 19 87.158 2.639 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.289 0.708 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.873 1.083 -12.143 1.00 0.00 H new ATOM 306 N LYS A 20 89.856 3.109 -10.414 1.00 0.00 N ATOM 307 CA LYS A 20 91.125 3.836 -10.470 1.00 0.00 C ATOM 308 C LYS A 20 92.185 3.087 -9.669 1.00 0.00 C ATOM 309 O LYS A 20 91.987 2.800 -8.490 1.00 0.00 O ATOM 310 CB LYS A 20 90.953 5.252 -9.907 1.00 0.00 C ATOM 311 CG LYS A 20 91.703 6.259 -10.787 1.00 0.00 C ATOM 312 CD LYS A 20 93.194 6.257 -10.432 1.00 0.00 C ATOM 313 CE LYS A 20 93.974 7.039 -11.492 1.00 0.00 C ATOM 314 NZ LYS A 20 93.838 8.501 -11.232 1.00 0.00 N ATOM 0 H LYS A 20 89.279 3.324 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 20 91.443 3.908 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.895 5.510 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.332 5.295 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.571 6.005 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.288 7.257 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.345 6.705 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.564 5.233 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 20 95.025 6.751 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.598 6.799 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.368 9.032 -11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.834 8.769 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 94.217 8.723 -10.289 1.00 0.00 H new ATOM 328 N THR A 21 93.308 2.775 -10.311 1.00 0.00 N ATOM 329 CA THR A 21 94.388 2.054 -9.641 1.00 0.00 C ATOM 330 C THR A 21 95.330 3.021 -8.927 1.00 0.00 C ATOM 331 O THR A 21 95.984 3.850 -9.562 1.00 0.00 O ATOM 332 CB THR A 21 95.173 1.225 -10.665 1.00 0.00 C ATOM 333 OG1 THR A 21 94.262 0.503 -11.484 1.00 0.00 O ATOM 334 CG2 THR A 21 96.095 0.242 -9.939 1.00 0.00 C ATOM 0 H THR A 21 93.494 3.008 -11.287 1.00 0.00 H new ATOM 0 HA THR A 21 93.947 1.391 -8.896 1.00 0.00 H new ATOM 0 HB THR A 21 95.774 1.891 -11.284 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.761 -0.026 -12.141 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.650 -0.344 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.794 0.795 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.498 -0.425 -9.317 1.00 0.00 H new ATOM 342 N ILE A 22 95.391 2.907 -7.600 1.00 0.00 N ATOM 343 CA ILE A 22 96.256 3.770 -6.796 1.00 0.00 C ATOM 344 C ILE A 22 97.055 2.940 -5.793 1.00 0.00 C ATOM 345 O ILE A 22 96.515 2.041 -5.149 1.00 0.00 O ATOM 346 CB ILE A 22 95.418 4.815 -6.049 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.401 5.447 -7.010 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.338 5.911 -5.499 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.329 6.190 -6.211 1.00 0.00 C ATOM 0 H ILE A 22 94.854 2.228 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 22 96.949 4.280 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 22 94.891 4.330 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.906 6.136 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.940 4.675 -7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.742 6.654 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 22 97.061 5.469 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.865 6.391 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.609 6.637 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.816 5.490 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.797 6.973 -5.615 1.00 0.00 H new ATOM 361 N THR A 23 98.345 3.250 -5.672 1.00 0.00 N ATOM 362 CA THR A 23 99.225 2.532 -4.749 1.00 0.00 C ATOM 363 C THR A 23 99.548 3.399 -3.533 1.00 0.00 C ATOM 364 O THR A 23 99.807 4.596 -3.669 1.00 0.00 O ATOM 365 CB THR A 23 100.521 2.148 -5.471 1.00 0.00 C ATOM 366 OG1 THR A 23 100.207 1.616 -6.750 1.00 0.00 O ATOM 367 CG2 THR A 23 101.279 1.100 -4.653 1.00 0.00 C ATOM 0 H THR A 23 98.804 3.992 -6.200 1.00 0.00 H new ATOM 0 HA THR A 23 98.716 1.631 -4.407 1.00 0.00 H new ATOM 0 HB THR A 23 101.146 3.033 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.138 0.640 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.200 0.830 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.521 1.509 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.657 0.213 -4.533 1.00 0.00 H new ATOM 375 N LEU A 24 99.524 2.788 -2.346 1.00 0.00 N ATOM 376 CA LEU A 24 99.809 3.518 -1.109 1.00 0.00 C ATOM 377 C LEU A 24 100.902 2.819 -0.299 1.00 0.00 C ATOM 378 O LEU A 24 100.838 1.607 -0.067 1.00 0.00 O ATOM 379 CB LEU A 24 98.540 3.627 -0.247 1.00 0.00 C ATOM 380 CG LEU A 24 97.287 3.671 -1.134 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.051 3.365 -0.284 1.00 0.00 C ATOM 382 CD2 LEU A 24 97.145 5.065 -1.754 1.00 0.00 C ATOM 0 H LEU A 24 99.312 1.799 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 24 100.153 4.515 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.481 2.777 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.588 4.525 0.369 1.00 0.00 H new ATOM 0 HG LEU A 24 97.379 2.929 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.161 3.396 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 24 96.149 2.373 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 24 95.962 4.108 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.255 5.094 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 24 97.054 5.808 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.025 5.286 -2.359 1.00 0.00 H new ATOM 394 N GLU A 25 101.895 3.594 0.144 1.00 0.00 N ATOM 395 CA GLU A 25 102.991 3.047 0.946 1.00 0.00 C ATOM 396 C GLU A 25 102.557 2.913 2.403 1.00 0.00 C ATOM 397 O GLU A 25 102.635 3.865 3.182 1.00 0.00 O ATOM 398 CB GLU A 25 104.230 3.947 0.851 1.00 0.00 C ATOM 399 CG GLU A 25 103.833 5.414 1.058 1.00 0.00 C ATOM 400 CD GLU A 25 104.755 6.064 2.087 1.00 0.00 C ATOM 401 OE1 GLU A 25 105.843 6.465 1.708 1.00 0.00 O ATOM 402 OE2 GLU A 25 104.360 6.149 3.239 1.00 0.00 O ATOM 0 H GLU A 25 101.963 4.595 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 25 103.246 2.061 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.963 3.651 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.704 3.824 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 25 103.893 5.953 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 25 102.798 5.475 1.395 1.00 0.00 H new ATOM 409 N VAL A 26 102.079 1.725 2.750 1.00 0.00 N ATOM 410 CA VAL A 26 101.604 1.456 4.103 1.00 0.00 C ATOM 411 C VAL A 26 102.411 0.339 4.755 1.00 0.00 C ATOM 412 O VAL A 26 103.437 -0.092 4.230 1.00 0.00 O ATOM 413 CB VAL A 26 100.127 1.049 4.050 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.349 2.047 3.188 1.00 0.00 C ATOM 415 CG2 VAL A 26 100.008 -0.351 3.439 1.00 0.00 C ATOM 0 H VAL A 26 102.010 0.931 2.113 1.00 0.00 H new ATOM 0 HA VAL A 26 101.725 2.362 4.697 1.00 0.00 H new ATOM 0 HB VAL A 26 99.716 1.045 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.299 1.756 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.434 3.044 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.759 2.053 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.959 -0.643 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.420 -0.344 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.560 -1.064 4.052 1.00 0.00 H new ATOM 425 N GLU A 27 101.921 -0.131 5.895 1.00 0.00 N ATOM 426 CA GLU A 27 102.571 -1.214 6.619 1.00 0.00 C ATOM 427 C GLU A 27 101.698 -2.461 6.548 1.00 0.00 C ATOM 428 O GLU A 27 100.486 -2.361 6.381 1.00 0.00 O ATOM 429 CB GLU A 27 102.803 -0.807 8.076 1.00 0.00 C ATOM 430 CG GLU A 27 103.706 0.430 8.117 1.00 0.00 C ATOM 431 CD GLU A 27 105.033 0.136 7.419 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.805 -0.640 7.958 1.00 0.00 O ATOM 433 OE2 GLU A 27 105.255 0.687 6.353 1.00 0.00 O ATOM 0 H GLU A 27 101.073 0.222 6.339 1.00 0.00 H new ATOM 0 HA GLU A 27 103.538 -1.427 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.851 -0.593 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 27 103.265 -1.627 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.209 1.269 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.887 0.723 9.151 1.00 0.00 H new ATOM 440 N SER A 28 102.311 -3.633 6.665 1.00 0.00 N ATOM 441 CA SER A 28 101.558 -4.884 6.596 1.00 0.00 C ATOM 442 C SER A 28 100.458 -4.924 7.654 1.00 0.00 C ATOM 443 O SER A 28 99.493 -5.677 7.523 1.00 0.00 O ATOM 444 CB SER A 28 102.502 -6.073 6.790 1.00 0.00 C ATOM 445 OG SER A 28 103.328 -5.841 7.923 1.00 0.00 O ATOM 0 H SER A 28 103.315 -3.746 6.806 1.00 0.00 H new ATOM 0 HA SER A 28 101.091 -4.944 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.927 -6.989 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 28 103.117 -6.212 5.901 1.00 0.00 H new ATOM 0 HG SER A 28 103.932 -6.603 8.049 1.00 0.00 H new ATOM 451 N SER A 29 100.630 -4.140 8.714 1.00 0.00 N ATOM 452 CA SER A 29 99.670 -4.109 9.814 1.00 0.00 C ATOM 453 C SER A 29 99.010 -2.737 9.956 1.00 0.00 C ATOM 454 O SER A 29 98.237 -2.518 10.889 1.00 0.00 O ATOM 455 CB SER A 29 100.379 -4.465 11.122 1.00 0.00 C ATOM 456 OG SER A 29 101.265 -3.410 11.479 1.00 0.00 O ATOM 0 H SER A 29 101.427 -3.516 8.835 1.00 0.00 H new ATOM 0 HA SER A 29 98.890 -4.837 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.647 -4.624 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.932 -5.397 11.007 1.00 0.00 H new ATOM 0 HG SER A 29 101.720 -3.634 12.318 1.00 0.00 H new ATOM 462 N ASP A 30 99.316 -1.816 9.038 1.00 0.00 N ATOM 463 CA ASP A 30 98.735 -0.472 9.091 1.00 0.00 C ATOM 464 C ASP A 30 97.230 -0.539 9.346 1.00 0.00 C ATOM 465 O ASP A 30 96.595 -1.560 9.089 1.00 0.00 O ATOM 466 CB ASP A 30 98.997 0.260 7.769 1.00 0.00 C ATOM 467 CG ASP A 30 99.573 1.648 8.037 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.948 2.398 8.768 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.631 1.942 7.505 1.00 0.00 O ATOM 0 H ASP A 30 99.955 -1.973 8.258 1.00 0.00 H new ATOM 0 HA ASP A 30 99.204 0.071 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.690 -0.317 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.069 0.347 7.203 1.00 0.00 H new ATOM 474 N THR A 31 96.663 0.556 9.846 1.00 0.00 N ATOM 475 CA THR A 31 95.229 0.599 10.124 1.00 0.00 C ATOM 476 C THR A 31 94.469 1.127 8.912 1.00 0.00 C ATOM 477 O THR A 31 94.993 1.941 8.148 1.00 0.00 O ATOM 478 CB THR A 31 94.944 1.491 11.338 1.00 0.00 C ATOM 479 OG1 THR A 31 95.098 2.857 10.973 1.00 0.00 O ATOM 480 CG2 THR A 31 95.915 1.150 12.471 1.00 0.00 C ATOM 0 H THR A 31 97.166 1.416 10.065 1.00 0.00 H new ATOM 0 HA THR A 31 94.894 -0.415 10.342 1.00 0.00 H new ATOM 0 HB THR A 31 93.922 1.320 11.677 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.914 3.426 11.749 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.708 1.787 13.331 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.791 0.105 12.755 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.939 1.315 12.135 1.00 0.00 H new ATOM 488 N ILE A 32 93.235 0.658 8.742 1.00 0.00 N ATOM 489 CA ILE A 32 92.409 1.087 7.618 1.00 0.00 C ATOM 490 C ILE A 32 92.329 2.612 7.565 1.00 0.00 C ATOM 491 O ILE A 32 92.508 3.210 6.505 1.00 0.00 O ATOM 492 CB ILE A 32 91.001 0.488 7.742 1.00 0.00 C ATOM 493 CG1 ILE A 32 91.069 -1.040 7.591 1.00 0.00 C ATOM 494 CG2 ILE A 32 90.090 1.067 6.655 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.734 -1.415 6.261 1.00 0.00 C ATOM 0 H ILE A 32 92.788 -0.015 9.364 1.00 0.00 H new ATOM 0 HA ILE A 32 92.866 0.732 6.694 1.00 0.00 H new ATOM 0 HB ILE A 32 90.596 0.737 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 32 91.631 -1.469 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 32 90.065 -1.462 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 32 89.093 0.637 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.031 2.149 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.497 0.827 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 32 91.775 -2.500 6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 32 91.155 -1.002 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.746 -1.010 6.233 1.00 0.00 H new ATOM 507 N ASP A 33 92.056 3.235 8.711 1.00 0.00 N ATOM 508 CA ASP A 33 91.957 4.692 8.775 1.00 0.00 C ATOM 509 C ASP A 33 93.170 5.342 8.111 1.00 0.00 C ATOM 510 O ASP A 33 93.030 6.300 7.348 1.00 0.00 O ATOM 511 CB ASP A 33 91.861 5.148 10.235 1.00 0.00 C ATOM 512 CG ASP A 33 90.834 6.271 10.364 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.054 7.320 9.780 1.00 0.00 O ATOM 514 OD2 ASP A 33 89.841 6.066 11.044 1.00 0.00 O ATOM 0 H ASP A 33 91.901 2.759 9.600 1.00 0.00 H new ATOM 0 HA ASP A 33 91.058 5.000 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.576 4.308 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.835 5.493 10.582 1.00 0.00 H new ATOM 519 N ASN A 34 94.358 4.809 8.397 1.00 0.00 N ATOM 520 CA ASN A 34 95.588 5.339 7.813 1.00 0.00 C ATOM 521 C ASN A 34 95.591 5.105 6.305 1.00 0.00 C ATOM 522 O ASN A 34 96.000 5.971 5.531 1.00 0.00 O ATOM 523 CB ASN A 34 96.808 4.661 8.447 1.00 0.00 C ATOM 524 CG ASN A 34 97.993 5.627 8.491 1.00 0.00 C ATOM 525 OD1 ASN A 34 97.988 6.652 7.808 1.00 0.00 O ATOM 526 ND2 ASN A 34 99.016 5.356 9.256 1.00 0.00 N ATOM 0 H ASN A 34 94.494 4.017 9.025 1.00 0.00 H new ATOM 0 HA ASN A 34 95.637 6.410 8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.564 4.329 9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.076 3.773 7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.812 5.993 9.288 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.019 4.507 9.821 1.00 0.00 H new ATOM 533 N VAL A 35 95.107 3.932 5.899 1.00 0.00 N ATOM 534 CA VAL A 35 95.036 3.598 4.479 1.00 0.00 C ATOM 535 C VAL A 35 94.201 4.654 3.755 1.00 0.00 C ATOM 536 O VAL A 35 94.572 5.131 2.680 1.00 0.00 O ATOM 537 CB VAL A 35 94.412 2.211 4.273 1.00 0.00 C ATOM 538 CG1 VAL A 35 94.297 1.918 2.775 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.297 1.142 4.927 1.00 0.00 C ATOM 0 H VAL A 35 94.762 3.205 6.526 1.00 0.00 H new ATOM 0 HA VAL A 35 96.047 3.580 4.072 1.00 0.00 H new ATOM 0 HB VAL A 35 93.422 2.194 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.854 0.933 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.667 2.672 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 35 95.289 1.940 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.850 0.159 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 35 96.288 1.163 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.383 1.344 5.995 1.00 0.00 H new ATOM 549 N LYS A 36 93.081 5.026 4.372 1.00 0.00 N ATOM 550 CA LYS A 36 92.198 6.037 3.804 1.00 0.00 C ATOM 551 C LYS A 36 92.934 7.370 3.683 1.00 0.00 C ATOM 552 O LYS A 36 93.074 7.911 2.589 1.00 0.00 O ATOM 553 CB LYS A 36 90.960 6.207 4.688 1.00 0.00 C ATOM 554 CG LYS A 36 89.972 5.065 4.427 1.00 0.00 C ATOM 555 CD LYS A 36 89.366 4.586 5.752 1.00 0.00 C ATOM 556 CE LYS A 36 88.619 5.739 6.432 1.00 0.00 C ATOM 557 NZ LYS A 36 88.338 5.380 7.850 1.00 0.00 N ATOM 0 H LYS A 36 92.766 4.642 5.263 1.00 0.00 H new ATOM 0 HA LYS A 36 91.886 5.713 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.251 6.215 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.484 7.166 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.182 5.402 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.481 4.239 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.683 3.756 5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 90.153 4.214 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 36 89.216 6.650 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.687 5.943 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.311 5.287 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 88.801 4.477 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 88.705 6.125 8.476 1.00 0.00 H new ATOM 571 N SER A 37 93.403 7.892 4.816 1.00 0.00 N ATOM 572 CA SER A 37 94.126 9.161 4.822 1.00 0.00 C ATOM 573 C SER A 37 95.224 9.147 3.764 1.00 0.00 C ATOM 574 O SER A 37 95.325 10.059 2.942 1.00 0.00 O ATOM 575 CB SER A 37 94.742 9.407 6.201 1.00 0.00 C ATOM 576 OG SER A 37 95.217 10.746 6.273 1.00 0.00 O ATOM 0 H SER A 37 93.296 7.459 5.734 1.00 0.00 H new ATOM 0 HA SER A 37 93.424 9.963 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 37 94.000 9.230 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 37 95.561 8.709 6.376 1.00 0.00 H new ATOM 0 HG SER A 37 95.610 10.906 7.156 1.00 0.00 H new ATOM 582 N LYS A 38 96.039 8.097 3.782 1.00 0.00 N ATOM 583 CA LYS A 38 97.116 7.968 2.810 1.00 0.00 C ATOM 584 C LYS A 38 96.573 8.210 1.404 1.00 0.00 C ATOM 585 O LYS A 38 97.258 8.779 0.553 1.00 0.00 O ATOM 586 CB LYS A 38 97.745 6.577 2.897 1.00 0.00 C ATOM 587 CG LYS A 38 98.742 6.544 4.058 1.00 0.00 C ATOM 588 CD LYS A 38 99.381 5.157 4.141 1.00 0.00 C ATOM 589 CE LYS A 38 99.774 4.854 5.588 1.00 0.00 C ATOM 590 NZ LYS A 38 100.824 5.814 6.033 1.00 0.00 N ATOM 0 H LYS A 38 95.975 7.331 4.452 1.00 0.00 H new ATOM 0 HA LYS A 38 97.883 8.711 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.971 5.824 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.250 6.335 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.511 7.303 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.235 6.779 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 98.683 4.403 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.260 5.113 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 98.901 4.929 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.144 3.832 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.210 5.506 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 101.588 5.845 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.408 6.762 6.134 1.00 0.00 H new ATOM 604 N ILE A 39 95.327 7.794 1.179 1.00 0.00 N ATOM 605 CA ILE A 39 94.692 7.992 -0.119 1.00 0.00 C ATOM 606 C ILE A 39 94.438 9.482 -0.353 1.00 0.00 C ATOM 607 O ILE A 39 94.623 9.979 -1.463 1.00 0.00 O ATOM 608 CB ILE A 39 93.376 7.192 -0.198 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.394 6.296 -1.446 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.165 8.135 -0.267 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.434 7.155 -2.715 1.00 0.00 C ATOM 0 H ILE A 39 94.745 7.323 1.871 1.00 0.00 H new ATOM 0 HA ILE A 39 95.358 7.627 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 39 93.290 6.580 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.262 5.637 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.510 5.659 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.249 7.547 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.141 8.762 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.245 8.766 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.446 6.508 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.553 7.795 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.332 7.773 -2.708 1.00 0.00 H new ATOM 623 N GLN A 40 94.011 10.191 0.699 1.00 0.00 N ATOM 624 CA GLN A 40 93.739 11.624 0.585 1.00 0.00 C ATOM 625 C GLN A 40 94.974 12.355 0.075 1.00 0.00 C ATOM 626 O GLN A 40 94.867 13.377 -0.595 1.00 0.00 O ATOM 627 CB GLN A 40 93.289 12.202 1.939 1.00 0.00 C ATOM 628 CG GLN A 40 94.480 12.764 2.726 1.00 0.00 C ATOM 629 CD GLN A 40 94.728 14.221 2.345 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.793 15.021 2.291 1.00 0.00 O ATOM 631 NE2 GLN A 40 95.942 14.616 2.076 1.00 0.00 N ATOM 0 H GLN A 40 93.849 9.800 1.627 1.00 0.00 H new ATOM 0 HA GLN A 40 92.929 11.767 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.554 12.990 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.798 11.425 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.285 12.689 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.372 12.171 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 40 96.716 13.953 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 40 96.117 15.588 1.821 1.00 0.00 H new ATOM 640 N ASP A 41 96.146 11.813 0.376 1.00 0.00 N ATOM 641 CA ASP A 41 97.382 12.424 -0.092 1.00 0.00 C ATOM 642 C ASP A 41 97.517 12.205 -1.598 1.00 0.00 C ATOM 643 O ASP A 41 98.216 12.947 -2.289 1.00 0.00 O ATOM 644 CB ASP A 41 98.581 11.807 0.634 1.00 0.00 C ATOM 645 CG ASP A 41 99.860 12.543 0.249 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.082 13.620 0.777 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.596 12.021 -0.572 1.00 0.00 O ATOM 0 H ASP A 41 96.267 10.967 0.932 1.00 0.00 H new ATOM 0 HA ASP A 41 97.357 13.493 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.431 11.862 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.668 10.751 0.377 1.00 0.00 H new ATOM 652 N LYS A 42 96.844 11.164 -2.086 1.00 0.00 N ATOM 653 CA LYS A 42 96.886 10.817 -3.505 1.00 0.00 C ATOM 654 C LYS A 42 95.750 11.476 -4.293 1.00 0.00 C ATOM 655 O LYS A 42 95.967 11.949 -5.409 1.00 0.00 O ATOM 656 CB LYS A 42 96.798 9.295 -3.674 1.00 0.00 C ATOM 657 CG LYS A 42 97.850 8.607 -2.798 1.00 0.00 C ATOM 658 CD LYS A 42 99.229 8.723 -3.454 1.00 0.00 C ATOM 659 CE LYS A 42 100.278 8.062 -2.558 1.00 0.00 C ATOM 660 NZ LYS A 42 100.382 8.814 -1.275 1.00 0.00 N ATOM 0 H LYS A 42 96.263 10.546 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 42 97.832 11.188 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.802 8.948 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.953 9.028 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.868 9.065 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.591 7.557 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.219 8.245 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.480 9.772 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.004 7.025 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.244 8.047 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.291 8.598 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 100.324 9.835 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 99.603 8.535 -0.645 1.00 0.00 H new ATOM 674 N GLU A 43 94.533 11.480 -3.735 1.00 0.00 N ATOM 675 CA GLU A 43 93.383 12.058 -4.441 1.00 0.00 C ATOM 676 C GLU A 43 92.737 13.210 -3.667 1.00 0.00 C ATOM 677 O GLU A 43 91.688 13.716 -4.069 1.00 0.00 O ATOM 678 CB GLU A 43 92.334 10.968 -4.678 1.00 0.00 C ATOM 679 CG GLU A 43 92.938 9.838 -5.515 1.00 0.00 C ATOM 680 CD GLU A 43 91.829 8.928 -6.038 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.206 8.259 -5.228 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.620 8.911 -7.240 1.00 0.00 O ATOM 0 H GLU A 43 94.321 11.097 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 43 93.751 12.459 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 43 91.981 10.577 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.469 11.389 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.503 10.254 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.639 9.261 -4.911 1.00 0.00 H new ATOM 689 N GLY A 44 93.359 13.630 -2.571 1.00 0.00 N ATOM 690 CA GLY A 44 92.819 14.732 -1.769 1.00 0.00 C ATOM 691 C GLY A 44 91.614 14.278 -0.946 1.00 0.00 C ATOM 692 O GLY A 44 91.449 14.688 0.204 1.00 0.00 O ATOM 0 H GLY A 44 94.229 13.232 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.593 15.115 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.527 15.553 -2.424 1.00 0.00 H new ATOM 696 N ILE A 45 90.777 13.437 -1.553 1.00 0.00 N ATOM 697 CA ILE A 45 89.576 12.920 -0.895 1.00 0.00 C ATOM 698 C ILE A 45 89.830 12.652 0.589 1.00 0.00 C ATOM 699 O ILE A 45 90.793 11.974 0.941 1.00 0.00 O ATOM 700 CB ILE A 45 89.134 11.615 -1.573 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.199 11.767 -3.102 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.701 11.271 -1.150 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.344 12.956 -3.556 1.00 0.00 C ATOM 0 H ILE A 45 90.910 13.097 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 45 88.793 13.673 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 45 89.804 10.812 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.233 11.913 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 45 88.846 10.853 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.391 10.344 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.661 11.147 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.030 12.077 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.400 13.051 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.308 12.794 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 45 88.716 13.870 -3.092 1.00 0.00 H new ATOM 715 N PRO A 46 88.989 13.161 1.458 1.00 0.00 N ATOM 716 CA PRO A 46 89.144 12.956 2.925 1.00 0.00 C ATOM 717 C PRO A 46 88.953 11.489 3.313 1.00 0.00 C ATOM 718 O PRO A 46 88.056 10.817 2.803 1.00 0.00 O ATOM 719 CB PRO A 46 88.067 13.838 3.572 1.00 0.00 C ATOM 720 CG PRO A 46 87.329 14.534 2.469 1.00 0.00 C ATOM 721 CD PRO A 46 87.813 13.975 1.129 1.00 0.00 C ATOM 0 HA PRO A 46 90.147 13.222 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.384 13.233 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.521 14.564 4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.255 14.381 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.504 15.609 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.040 13.375 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.069 14.777 0.437 1.00 0.00 H new ATOM 729 N PRO A 47 89.785 10.984 4.193 1.00 0.00 N ATOM 730 CA PRO A 47 89.720 9.566 4.647 1.00 0.00 C ATOM 731 C PRO A 47 88.308 9.142 5.049 1.00 0.00 C ATOM 732 O PRO A 47 87.862 8.044 4.715 1.00 0.00 O ATOM 733 CB PRO A 47 90.659 9.496 5.859 1.00 0.00 C ATOM 734 CG PRO A 47 91.223 10.868 6.069 1.00 0.00 C ATOM 735 CD PRO A 47 90.878 11.714 4.845 1.00 0.00 C ATOM 0 HA PRO A 47 90.009 8.890 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.118 9.164 6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.458 8.775 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.807 11.317 6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.303 10.819 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.569 12.719 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.736 11.821 4.181 1.00 0.00 H new ATOM 743 N ASP A 48 87.618 10.017 5.773 1.00 0.00 N ATOM 744 CA ASP A 48 86.259 9.727 6.227 1.00 0.00 C ATOM 745 C ASP A 48 85.301 9.616 5.046 1.00 0.00 C ATOM 746 O ASP A 48 84.299 8.904 5.114 1.00 0.00 O ATOM 747 CB ASP A 48 85.778 10.832 7.171 1.00 0.00 C ATOM 748 CG ASP A 48 86.778 11.020 8.309 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.733 11.755 8.117 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.574 10.425 9.355 1.00 0.00 O ATOM 0 H ASP A 48 87.974 10.929 6.058 1.00 0.00 H new ATOM 0 HA ASP A 48 86.273 8.773 6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.661 11.766 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.799 10.575 7.575 1.00 0.00 H new ATOM 755 N GLN A 49 85.613 10.329 3.969 1.00 0.00 N ATOM 756 CA GLN A 49 84.771 10.315 2.776 1.00 0.00 C ATOM 757 C GLN A 49 84.917 9.000 2.008 1.00 0.00 C ATOM 758 O GLN A 49 84.120 8.706 1.118 1.00 0.00 O ATOM 759 CB GLN A 49 85.149 11.487 1.865 1.00 0.00 C ATOM 760 CG GLN A 49 83.914 11.967 1.096 1.00 0.00 C ATOM 761 CD GLN A 49 84.186 13.329 0.465 1.00 0.00 C ATOM 762 OE1 GLN A 49 83.828 14.360 1.034 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.803 13.395 -0.683 1.00 0.00 N ATOM 0 H GLN A 49 86.440 10.922 3.897 1.00 0.00 H new ATOM 0 HA GLN A 49 83.732 10.411 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.559 12.304 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.927 11.180 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.654 11.244 0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.060 12.034 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.099 12.539 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.989 14.302 -1.110 1.00 0.00 H new ATOM 772 N GLN A 50 85.945 8.223 2.340 1.00 0.00 N ATOM 773 CA GLN A 50 86.182 6.954 1.651 1.00 0.00 C ATOM 774 C GLN A 50 85.834 5.761 2.536 1.00 0.00 C ATOM 775 O GLN A 50 85.967 5.817 3.759 1.00 0.00 O ATOM 776 CB GLN A 50 87.652 6.837 1.246 1.00 0.00 C ATOM 777 CG GLN A 50 88.142 8.149 0.623 1.00 0.00 C ATOM 778 CD GLN A 50 89.468 8.563 1.254 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.819 9.738 1.235 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.234 7.663 1.810 1.00 0.00 N ATOM 0 H GLN A 50 86.620 8.444 3.072 1.00 0.00 H new ATOM 0 HA GLN A 50 85.541 6.944 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.258 6.593 2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.776 6.021 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.264 8.027 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.399 8.932 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.943 6.685 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.123 7.938 2.228 1.00 0.00 H new ATOM 789 N ARG A 51 85.412 4.674 1.892 1.00 0.00 N ATOM 790 CA ARG A 51 85.068 3.441 2.595 1.00 0.00 C ATOM 791 C ARG A 51 85.835 2.283 1.962 1.00 0.00 C ATOM 792 O ARG A 51 86.100 2.300 0.760 1.00 0.00 O ATOM 793 CB ARG A 51 83.560 3.179 2.508 1.00 0.00 C ATOM 794 CG ARG A 51 82.789 4.367 3.096 1.00 0.00 C ATOM 795 CD ARG A 51 82.218 3.987 4.464 1.00 0.00 C ATOM 796 NE ARG A 51 83.298 3.757 5.420 1.00 0.00 N ATOM 797 CZ ARG A 51 83.509 2.555 5.950 1.00 0.00 C ATOM 798 NH1 ARG A 51 84.227 1.674 5.308 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.999 2.256 7.113 1.00 0.00 N ATOM 0 H ARG A 51 85.300 4.623 0.879 1.00 0.00 H new ATOM 0 HA ARG A 51 85.339 3.535 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.268 3.023 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.309 2.267 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.449 5.229 3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 51 81.983 4.658 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.566 4.782 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.607 3.089 4.373 1.00 0.00 H new ATOM 0 HE ARG A 51 83.903 4.534 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 51 84.627 1.907 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 84.388 0.753 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 51 82.438 2.944 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 51 83.161 1.334 7.519 1.00 0.00 H new ATOM 813 N LEU A 52 86.196 1.285 2.764 1.00 0.00 N ATOM 814 CA LEU A 52 86.943 0.140 2.248 1.00 0.00 C ATOM 815 C LEU A 52 86.083 -1.119 2.259 1.00 0.00 C ATOM 816 O LEU A 52 85.716 -1.619 3.321 1.00 0.00 O ATOM 817 CB LEU A 52 88.199 -0.090 3.100 1.00 0.00 C ATOM 818 CG LEU A 52 89.390 0.684 2.515 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.680 0.199 1.090 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.074 2.183 2.490 1.00 0.00 C ATOM 0 H LEU A 52 85.987 1.244 3.762 1.00 0.00 H new ATOM 0 HA LEU A 52 87.232 0.356 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.015 0.232 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.431 -1.154 3.137 1.00 0.00 H new ATOM 0 HG LEU A 52 90.266 0.509 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.526 0.753 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.918 -0.865 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.803 0.364 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 52 89.922 2.727 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.193 2.359 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.882 2.531 3.505 1.00 0.00 H new ATOM 832 N ILE A 53 85.766 -1.622 1.069 1.00 0.00 N ATOM 833 CA ILE A 53 84.949 -2.824 0.939 1.00 0.00 C ATOM 834 C ILE A 53 85.772 -3.949 0.315 1.00 0.00 C ATOM 835 O ILE A 53 86.299 -3.798 -0.788 1.00 0.00 O ATOM 836 CB ILE A 53 83.730 -2.524 0.054 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.674 -1.758 0.860 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.122 -3.832 -0.460 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.153 -0.329 1.125 1.00 0.00 C ATOM 0 H ILE A 53 86.062 -1.216 0.182 1.00 0.00 H new ATOM 0 HA ILE A 53 84.612 -3.136 1.928 1.00 0.00 H new ATOM 0 HB ILE A 53 84.052 -1.917 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.731 -1.739 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.485 -2.268 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.258 -3.610 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.865 -4.374 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.809 -4.445 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.397 0.208 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 53 84.085 -0.356 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.319 0.181 0.176 1.00 0.00 H new ATOM 851 N TRP A 54 85.879 -5.072 1.022 1.00 0.00 N ATOM 852 CA TRP A 54 86.642 -6.211 0.519 1.00 0.00 C ATOM 853 C TRP A 54 85.842 -7.506 0.666 1.00 0.00 C ATOM 854 O TRP A 54 85.284 -7.788 1.727 1.00 0.00 O ATOM 855 CB TRP A 54 87.965 -6.335 1.282 1.00 0.00 C ATOM 856 CG TRP A 54 88.682 -7.573 0.841 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.844 -8.686 1.592 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.326 -7.844 -0.437 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.547 -9.623 0.857 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.867 -9.151 -0.400 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.491 -7.091 -1.613 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.549 -9.690 -1.491 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.178 -7.631 -2.713 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.705 -8.929 -2.652 1.00 0.00 C ATOM 0 H TRP A 54 85.451 -5.217 1.937 1.00 0.00 H new ATOM 0 HA TRP A 54 86.847 -6.045 -0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.586 -5.458 1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.776 -6.374 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.483 -8.821 2.601 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.798 -10.550 1.202 1.00 0.00 H new ATOM 0 HE3 TRP A 54 89.087 -6.091 -1.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.954 -10.690 -1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.301 -7.043 -3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 54 91.231 -9.340 -3.501 1.00 0.00 H new ATOM 875 N ALA A 55 85.804 -8.287 -0.413 1.00 0.00 N ATOM 876 CA ALA A 55 85.086 -9.561 -0.425 1.00 0.00 C ATOM 877 C ALA A 55 83.630 -9.391 0.013 1.00 0.00 C ATOM 878 O ALA A 55 83.193 -9.989 0.996 1.00 0.00 O ATOM 879 CB ALA A 55 85.791 -10.567 0.490 1.00 0.00 C ATOM 0 H ALA A 55 86.264 -8.058 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 55 85.087 -9.935 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.250 -11.513 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.810 -10.726 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.815 -10.178 1.508 1.00 0.00 H new ATOM 885 N GLY A 56 82.878 -8.593 -0.746 1.00 0.00 N ATOM 886 CA GLY A 56 81.461 -8.365 -0.461 1.00 0.00 C ATOM 887 C GLY A 56 81.213 -7.857 0.961 1.00 0.00 C ATOM 888 O GLY A 56 80.062 -7.688 1.366 1.00 0.00 O ATOM 0 H GLY A 56 83.227 -8.093 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.064 -7.642 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.912 -9.295 -0.610 1.00 0.00 H new ATOM 892 N LYS A 57 82.282 -7.622 1.719 1.00 0.00 N ATOM 893 CA LYS A 57 82.141 -7.144 3.093 1.00 0.00 C ATOM 894 C LYS A 57 82.793 -5.778 3.265 1.00 0.00 C ATOM 895 O LYS A 57 83.849 -5.505 2.695 1.00 0.00 O ATOM 896 CB LYS A 57 82.784 -8.140 4.061 1.00 0.00 C ATOM 897 CG LYS A 57 81.896 -9.380 4.192 1.00 0.00 C ATOM 898 CD LYS A 57 82.253 -10.134 5.478 1.00 0.00 C ATOM 899 CE LYS A 57 82.084 -11.639 5.257 1.00 0.00 C ATOM 900 NZ LYS A 57 80.666 -11.935 4.907 1.00 0.00 N ATOM 0 H LYS A 57 83.245 -7.753 1.410 1.00 0.00 H new ATOM 0 HA LYS A 57 81.077 -7.053 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 83.772 -8.425 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.922 -7.675 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.846 -9.088 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.032 -10.030 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 57 83.280 -9.912 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.612 -9.802 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.745 -11.976 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.369 -12.184 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.503 -12.961 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.035 -11.452 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.469 -11.599 3.943 1.00 0.00 H new ATOM 914 N GLN A 58 82.155 -4.926 4.063 1.00 0.00 N ATOM 915 CA GLN A 58 82.676 -3.588 4.317 1.00 0.00 C ATOM 916 C GLN A 58 83.670 -3.616 5.475 1.00 0.00 C ATOM 917 O GLN A 58 83.355 -4.096 6.565 1.00 0.00 O ATOM 918 CB GLN A 58 81.522 -2.633 4.641 1.00 0.00 C ATOM 919 CG GLN A 58 81.965 -1.185 4.403 1.00 0.00 C ATOM 920 CD GLN A 58 81.856 -0.387 5.698 1.00 0.00 C ATOM 921 OE1 GLN A 58 80.968 0.454 5.838 1.00 0.00 O ATOM 922 NE2 GLN A 58 82.713 -0.603 6.658 1.00 0.00 N ATOM 0 H GLN A 58 81.280 -5.138 4.543 1.00 0.00 H new ATOM 0 HA GLN A 58 83.192 -3.237 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.659 -2.866 4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.211 -2.762 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.992 -1.165 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.345 -0.728 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.447 -1.301 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.648 -0.074 7.528 1.00 0.00 H new ATOM 931 N LEU A 59 84.871 -3.100 5.228 1.00 0.00 N ATOM 932 CA LEU A 59 85.917 -3.069 6.251 1.00 0.00 C ATOM 933 C LEU A 59 85.737 -1.864 7.169 1.00 0.00 C ATOM 934 O LEU A 59 85.325 -0.792 6.726 1.00 0.00 O ATOM 935 CB LEU A 59 87.297 -3.005 5.590 1.00 0.00 C ATOM 936 CG LEU A 59 87.498 -4.223 4.681 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.421 -3.846 3.519 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.134 -5.363 5.484 1.00 0.00 C ATOM 0 H LEU A 59 85.145 -2.698 4.332 1.00 0.00 H new ATOM 0 HA LEU A 59 85.840 -3.980 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.389 -2.088 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.074 -2.978 6.353 1.00 0.00 H new ATOM 0 HG LEU A 59 86.533 -4.546 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.564 -4.712 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.972 -3.035 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.385 -3.522 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.276 -6.228 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 59 89.099 -5.039 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.480 -5.633 6.313 1.00 0.00 H new ATOM 950 N GLU A 60 86.057 -2.048 8.448 1.00 0.00 N ATOM 951 CA GLU A 60 85.933 -0.968 9.425 1.00 0.00 C ATOM 952 C GLU A 60 87.259 -0.229 9.578 1.00 0.00 C ATOM 953 O GLU A 60 88.325 -0.843 9.568 1.00 0.00 O ATOM 954 CB GLU A 60 85.506 -1.529 10.786 1.00 0.00 C ATOM 955 CG GLU A 60 84.282 -2.437 10.617 1.00 0.00 C ATOM 956 CD GLU A 60 84.448 -3.699 11.461 1.00 0.00 C ATOM 957 OE1 GLU A 60 84.146 -3.645 12.641 1.00 0.00 O ATOM 958 OE2 GLU A 60 84.874 -4.701 10.913 1.00 0.00 O ATOM 0 H GLU A 60 86.402 -2.928 8.831 1.00 0.00 H new ATOM 0 HA GLU A 60 85.175 -0.272 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 86.327 -2.091 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.272 -0.712 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.380 -1.905 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 84.160 -2.705 9.568 1.00 0.00 H new ATOM 965 N ASP A 61 87.182 1.092 9.710 1.00 0.00 N ATOM 966 CA ASP A 61 88.379 1.918 9.858 1.00 0.00 C ATOM 967 C ASP A 61 89.234 1.448 11.039 1.00 0.00 C ATOM 968 O ASP A 61 90.439 1.698 11.079 1.00 0.00 O ATOM 969 CB ASP A 61 87.977 3.380 10.066 1.00 0.00 C ATOM 970 CG ASP A 61 87.249 3.542 11.397 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.100 3.141 11.475 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.852 4.066 12.321 1.00 0.00 O ATOM 0 H ASP A 61 86.306 1.614 9.718 1.00 0.00 H new ATOM 0 HA ASP A 61 88.971 1.824 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.863 4.014 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.334 3.708 9.249 1.00 0.00 H new ATOM 977 N GLY A 62 88.598 0.776 11.997 1.00 0.00 N ATOM 978 CA GLY A 62 89.302 0.284 13.180 1.00 0.00 C ATOM 979 C GLY A 62 90.103 -0.984 12.879 1.00 0.00 C ATOM 980 O GLY A 62 90.888 -1.438 13.713 1.00 0.00 O ATOM 0 H GLY A 62 87.601 0.560 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.973 1.058 13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.582 0.079 13.972 1.00 0.00 H new ATOM 984 N ARG A 63 89.897 -1.555 11.695 1.00 0.00 N ATOM 985 CA ARG A 63 90.606 -2.776 11.311 1.00 0.00 C ATOM 986 C ARG A 63 92.059 -2.481 10.956 1.00 0.00 C ATOM 987 O ARG A 63 92.433 -1.330 10.724 1.00 0.00 O ATOM 988 CB ARG A 63 89.922 -3.429 10.107 1.00 0.00 C ATOM 989 CG ARG A 63 88.608 -4.081 10.545 1.00 0.00 C ATOM 990 CD ARG A 63 88.386 -5.376 9.757 1.00 0.00 C ATOM 991 NE ARG A 63 86.978 -5.744 9.792 1.00 0.00 N ATOM 992 CZ ARG A 63 86.544 -6.878 9.250 1.00 0.00 C ATOM 993 NH1 ARG A 63 86.624 -7.993 9.921 1.00 0.00 N ATOM 994 NH2 ARG A 63 86.029 -6.874 8.051 1.00 0.00 N ATOM 0 H ARG A 63 89.252 -1.198 10.990 1.00 0.00 H new ATOM 0 HA ARG A 63 90.581 -3.454 12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.728 -2.681 9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.580 -4.177 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 63 88.635 -4.294 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.777 -3.395 10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.710 -5.244 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.991 -6.178 10.181 1.00 0.00 H new ATOM 0 HE ARG A 63 86.310 -5.118 10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 63 87.019 -7.995 10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 63 86.291 -8.863 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.959 -6.001 7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.696 -7.744 7.636 1.00 0.00 H new ATOM 1008 N THR A 64 92.866 -3.539 10.908 1.00 0.00 N ATOM 1009 CA THR A 64 94.278 -3.404 10.567 1.00 0.00 C ATOM 1010 C THR A 64 94.580 -4.152 9.273 1.00 0.00 C ATOM 1011 O THR A 64 93.745 -4.903 8.765 1.00 0.00 O ATOM 1012 CB THR A 64 95.157 -3.947 11.702 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.635 -5.185 12.158 1.00 0.00 O ATOM 1014 CG2 THR A 64 95.183 -2.945 12.859 1.00 0.00 C ATOM 0 H THR A 64 92.567 -4.495 11.100 1.00 0.00 H new ATOM 0 HA THR A 64 94.501 -2.346 10.426 1.00 0.00 H new ATOM 0 HB THR A 64 96.171 -4.096 11.331 1.00 0.00 H new ATOM 0 HG1 THR A 64 95.198 -5.531 12.881 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.808 -3.334 13.663 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.590 -1.996 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 64 94.170 -2.791 13.229 1.00 0.00 H new ATOM 1022 N LEU A 65 95.775 -3.928 8.739 1.00 0.00 N ATOM 1023 CA LEU A 65 96.188 -4.567 7.496 1.00 0.00 C ATOM 1024 C LEU A 65 96.545 -6.036 7.732 1.00 0.00 C ATOM 1025 O LEU A 65 96.189 -6.906 6.936 1.00 0.00 O ATOM 1026 CB LEU A 65 97.391 -3.805 6.909 1.00 0.00 C ATOM 1027 CG LEU A 65 96.902 -2.661 5.999 1.00 0.00 C ATOM 1028 CD1 LEU A 65 98.063 -2.137 5.155 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.794 -3.155 5.060 1.00 0.00 C ATOM 0 H LEU A 65 96.475 -3.309 9.148 1.00 0.00 H new ATOM 0 HA LEU A 65 95.360 -4.537 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 65 98.004 -3.402 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 65 98.021 -4.488 6.340 1.00 0.00 H new ATOM 0 HG LEU A 65 96.510 -1.865 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.711 -1.329 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.850 -1.764 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.457 -2.944 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.462 -2.333 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.178 -3.962 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.954 -3.521 5.650 1.00 0.00 H new ATOM 1041 N SER A 66 97.249 -6.299 8.828 1.00 0.00 N ATOM 1042 CA SER A 66 97.657 -7.662 9.169 1.00 0.00 C ATOM 1043 C SER A 66 96.493 -8.453 9.763 1.00 0.00 C ATOM 1044 O SER A 66 96.580 -9.670 9.930 1.00 0.00 O ATOM 1045 CB SER A 66 98.813 -7.623 10.170 1.00 0.00 C ATOM 1046 OG SER A 66 98.429 -6.854 11.303 1.00 0.00 O ATOM 0 H SER A 66 97.550 -5.589 9.496 1.00 0.00 H new ATOM 0 HA SER A 66 97.979 -8.158 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.078 -8.635 10.476 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.698 -7.189 9.704 1.00 0.00 H new ATOM 0 HG SER A 66 99.167 -6.829 11.947 1.00 0.00 H new ATOM 1052 N ASP A 67 95.404 -7.756 10.078 1.00 0.00 N ATOM 1053 CA ASP A 67 94.229 -8.403 10.653 1.00 0.00 C ATOM 1054 C ASP A 67 93.610 -9.376 9.648 1.00 0.00 C ATOM 1055 O ASP A 67 93.511 -10.575 9.911 1.00 0.00 O ATOM 1056 CB ASP A 67 93.203 -7.339 11.076 1.00 0.00 C ATOM 1057 CG ASP A 67 91.776 -7.789 10.763 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.303 -8.700 11.422 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.180 -7.211 9.869 1.00 0.00 O ATOM 0 H ASP A 67 95.311 -6.749 9.946 1.00 0.00 H new ATOM 0 HA ASP A 67 94.532 -8.970 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 67 93.299 -7.142 12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 67 93.413 -6.402 10.559 1.00 0.00 H new ATOM 1064 N TYR A 68 93.194 -8.848 8.499 1.00 0.00 N ATOM 1065 CA TYR A 68 92.582 -9.675 7.461 1.00 0.00 C ATOM 1066 C TYR A 68 93.647 -10.321 6.576 1.00 0.00 C ATOM 1067 O TYR A 68 93.321 -11.031 5.625 1.00 0.00 O ATOM 1068 CB TYR A 68 91.644 -8.816 6.600 1.00 0.00 C ATOM 1069 CG TYR A 68 90.204 -9.212 6.847 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.746 -9.431 8.154 1.00 0.00 C ATOM 1071 CD2 TYR A 68 89.324 -9.355 5.767 1.00 0.00 C ATOM 1072 CE1 TYR A 68 88.414 -9.793 8.379 1.00 0.00 C ATOM 1073 CE2 TYR A 68 87.990 -9.718 5.993 1.00 0.00 C ATOM 1074 CZ TYR A 68 87.536 -9.937 7.298 1.00 0.00 C ATOM 1075 OH TYR A 68 86.221 -10.293 7.521 1.00 0.00 O ATOM 0 H TYR A 68 93.269 -7.858 8.264 1.00 0.00 H new ATOM 0 HA TYR A 68 92.012 -10.468 7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.785 -7.761 6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 68 91.888 -8.942 5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.423 -9.320 8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.674 -9.185 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.063 -9.961 9.386 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.312 -9.829 5.160 1.00 0.00 H new ATOM 0 HH TYR A 68 85.747 -10.349 6.665 1.00 0.00 H new ATOM 1085 N ASN A 69 94.917 -10.059 6.887 1.00 0.00 N ATOM 1086 CA ASN A 69 96.024 -10.610 6.105 1.00 0.00 C ATOM 1087 C ASN A 69 96.027 -9.998 4.705 1.00 0.00 C ATOM 1088 O ASN A 69 96.356 -10.658 3.719 1.00 0.00 O ATOM 1089 CB ASN A 69 95.908 -12.138 6.014 1.00 0.00 C ATOM 1090 CG ASN A 69 97.251 -12.745 5.614 1.00 0.00 C ATOM 1091 OD1 ASN A 69 98.300 -12.307 6.088 1.00 0.00 O ATOM 1092 ND2 ASN A 69 97.280 -13.736 4.765 1.00 0.00 N ATOM 0 H ASN A 69 95.204 -9.472 7.670 1.00 0.00 H new ATOM 0 HA ASN A 69 96.962 -10.364 6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 69 95.589 -12.544 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 69 95.146 -12.409 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.172 -14.149 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 69 96.410 -14.098 4.373 1.00 0.00 H new ATOM 1099 N ILE A 70 95.649 -8.725 4.644 1.00 0.00 N ATOM 1100 CA ILE A 70 95.593 -7.997 3.379 1.00 0.00 C ATOM 1101 C ILE A 70 96.955 -8.009 2.680 1.00 0.00 C ATOM 1102 O ILE A 70 97.035 -7.837 1.464 1.00 0.00 O ATOM 1103 CB ILE A 70 95.135 -6.557 3.645 1.00 0.00 C ATOM 1104 CG1 ILE A 70 93.634 -6.560 3.964 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.394 -5.680 2.415 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.249 -5.257 4.668 1.00 0.00 C ATOM 0 H ILE A 70 95.376 -8.174 5.458 1.00 0.00 H new ATOM 0 HA ILE A 70 94.879 -8.487 2.718 1.00 0.00 H new ATOM 0 HB ILE A 70 95.695 -6.153 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.058 -6.671 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.390 -7.412 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.064 -4.661 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.460 -5.678 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 70 94.842 -6.077 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.182 -5.266 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.813 -5.164 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.477 -4.412 4.019 1.00 0.00 H new ATOM 1118 N GLN A 71 98.019 -8.222 3.453 1.00 0.00 N ATOM 1119 CA GLN A 71 99.373 -8.263 2.896 1.00 0.00 C ATOM 1120 C GLN A 71 99.664 -7.000 2.081 1.00 0.00 C ATOM 1121 O GLN A 71 99.038 -5.961 2.290 1.00 0.00 O ATOM 1122 CB GLN A 71 99.540 -9.508 2.012 1.00 0.00 C ATOM 1123 CG GLN A 71 99.282 -10.772 2.842 1.00 0.00 C ATOM 1124 CD GLN A 71 100.464 -11.732 2.727 1.00 0.00 C ATOM 1125 OE1 GLN A 71 101.240 -11.876 3.671 1.00 0.00 O ATOM 1126 NE2 GLN A 71 100.646 -12.401 1.621 1.00 0.00 N ATOM 0 H GLN A 71 97.972 -8.368 4.461 1.00 0.00 H new ATOM 0 HA GLN A 71 100.083 -8.311 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 71 98.846 -9.465 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 71 100.546 -9.536 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 71 99.123 -10.503 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 71 98.372 -11.262 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 71 100.001 -12.280 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 71 101.433 -13.045 1.538 1.00 0.00 H new ATOM 1135 N ARG A 72 100.620 -7.100 1.157 1.00 0.00 N ATOM 1136 CA ARG A 72 100.991 -5.960 0.318 1.00 0.00 C ATOM 1137 C ARG A 72 100.381 -6.081 -1.078 1.00 0.00 C ATOM 1138 O ARG A 72 99.744 -5.150 -1.568 1.00 0.00 O ATOM 1139 CB ARG A 72 102.518 -5.861 0.212 1.00 0.00 C ATOM 1140 CG ARG A 72 103.088 -7.160 -0.374 1.00 0.00 C ATOM 1141 CD ARG A 72 104.602 -7.203 -0.160 1.00 0.00 C ATOM 1142 NE ARG A 72 105.082 -8.579 -0.239 1.00 0.00 N ATOM 1143 CZ ARG A 72 104.881 -9.318 -1.327 1.00 0.00 C ATOM 1144 NH1 ARG A 72 105.615 -9.127 -2.389 1.00 0.00 N ATOM 1145 NH2 ARG A 72 103.951 -10.232 -1.331 1.00 0.00 N ATOM 0 H ARG A 72 101.148 -7.952 0.971 1.00 0.00 H new ATOM 0 HA ARG A 72 100.600 -5.056 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.793 -5.016 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 72 102.948 -5.677 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.619 -8.021 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.860 -7.221 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.101 -6.592 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.852 -6.778 0.812 1.00 0.00 H new ATOM 0 HE ARG A 72 105.581 -8.982 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.342 -8.412 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.462 -9.693 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.378 -10.380 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.797 -10.799 -2.165 1.00 0.00 H new ATOM 1159 N GLU A 73 100.596 -7.228 -1.720 1.00 0.00 N ATOM 1160 CA GLU A 73 100.080 -7.456 -3.068 1.00 0.00 C ATOM 1161 C GLU A 73 98.578 -7.734 -3.043 1.00 0.00 C ATOM 1162 O GLU A 73 98.130 -8.820 -3.417 1.00 0.00 O ATOM 1163 CB GLU A 73 100.823 -8.630 -3.719 1.00 0.00 C ATOM 1164 CG GLU A 73 100.975 -9.775 -2.710 1.00 0.00 C ATOM 1165 CD GLU A 73 101.343 -11.065 -3.436 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.524 -11.290 -3.645 1.00 0.00 O ATOM 1167 OE2 GLU A 73 100.438 -11.813 -3.773 1.00 0.00 O ATOM 0 H GLU A 73 101.122 -8.011 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 73 100.246 -6.553 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.276 -8.977 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.805 -8.304 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 73 101.745 -9.527 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.044 -9.911 -2.159 1.00 0.00 H new ATOM 1174 N SER A 74 97.806 -6.744 -2.599 1.00 0.00 N ATOM 1175 CA SER A 74 96.355 -6.888 -2.528 1.00 0.00 C ATOM 1176 C SER A 74 95.653 -5.684 -3.152 1.00 0.00 C ATOM 1177 O SER A 74 96.184 -4.567 -3.152 1.00 0.00 O ATOM 1178 CB SER A 74 95.916 -7.036 -1.071 1.00 0.00 C ATOM 1179 OG SER A 74 94.496 -7.000 -0.998 1.00 0.00 O ATOM 0 H SER A 74 98.159 -5.840 -2.285 1.00 0.00 H new ATOM 0 HA SER A 74 96.076 -7.781 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.288 -7.975 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.342 -6.234 -0.468 1.00 0.00 H new ATOM 0 HG SER A 74 94.201 -7.404 -0.155 1.00 0.00 H new ATOM 1185 N THR A 75 94.447 -5.930 -3.667 1.00 0.00 N ATOM 1186 CA THR A 75 93.644 -4.881 -4.288 1.00 0.00 C ATOM 1187 C THR A 75 92.599 -4.373 -3.297 1.00 0.00 C ATOM 1188 O THR A 75 91.586 -5.029 -3.051 1.00 0.00 O ATOM 1189 CB THR A 75 92.953 -5.425 -5.545 1.00 0.00 C ATOM 1190 OG1 THR A 75 93.926 -6.016 -6.397 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.248 -4.287 -6.289 1.00 0.00 C ATOM 0 H THR A 75 94.006 -6.850 -3.665 1.00 0.00 H new ATOM 0 HA THR A 75 94.296 -4.055 -4.572 1.00 0.00 H new ATOM 0 HB THR A 75 92.214 -6.172 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.488 -6.366 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.760 -4.682 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.501 -3.834 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.980 -3.534 -6.580 1.00 0.00 H new ATOM 1199 N LEU A 76 92.865 -3.205 -2.728 1.00 0.00 N ATOM 1200 CA LEU A 76 91.966 -2.598 -1.756 1.00 0.00 C ATOM 1201 C LEU A 76 90.864 -1.815 -2.459 1.00 0.00 C ATOM 1202 O LEU A 76 91.053 -0.656 -2.830 1.00 0.00 O ATOM 1203 CB LEU A 76 92.767 -1.656 -0.850 1.00 0.00 C ATOM 1204 CG LEU A 76 93.404 -2.453 0.294 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.784 -2.956 -0.138 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.551 -1.550 1.522 1.00 0.00 C ATOM 0 H LEU A 76 93.702 -2.656 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 76 91.505 -3.386 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.541 -1.151 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.114 -0.882 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 76 92.770 -3.304 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 76 95.236 -3.523 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.680 -3.598 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.420 -2.106 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 76 94.004 -2.115 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.185 -0.699 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.569 -1.193 1.830 1.00 0.00 H new ATOM 1218 N HIS A 77 89.709 -2.449 -2.638 1.00 0.00 N ATOM 1219 CA HIS A 77 88.590 -1.787 -3.297 1.00 0.00 C ATOM 1220 C HIS A 77 88.037 -0.679 -2.409 1.00 0.00 C ATOM 1221 O HIS A 77 87.549 -0.937 -1.307 1.00 0.00 O ATOM 1222 CB HIS A 77 87.488 -2.798 -3.628 1.00 0.00 C ATOM 1223 CG HIS A 77 87.403 -2.961 -5.121 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.089 -3.959 -5.796 1.00 0.00 N ATOM 1225 CD2 HIS A 77 86.733 -2.249 -6.086 1.00 0.00 C ATOM 1226 CE1 HIS A 77 87.820 -3.820 -7.107 1.00 0.00 C ATOM 1227 NE2 HIS A 77 86.998 -2.793 -7.338 1.00 0.00 N ATOM 0 H HIS A 77 89.525 -3.407 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 77 88.948 -1.347 -4.228 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.703 -3.757 -3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.532 -2.456 -3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 77 88.688 -4.669 -5.375 1.00 0.00 H new ATOM 0 HD2 HIS A 77 86.097 -1.396 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 77 88.220 -4.461 -7.879 1.00 0.00 H new ATOM 1235 N LEU A 78 88.125 0.554 -2.899 1.00 0.00 N ATOM 1236 CA LEU A 78 87.642 1.712 -2.157 1.00 0.00 C ATOM 1237 C LEU A 78 86.470 2.360 -2.891 1.00 0.00 C ATOM 1238 O LEU A 78 86.373 2.278 -4.115 1.00 0.00 O ATOM 1239 CB LEU A 78 88.783 2.727 -2.007 1.00 0.00 C ATOM 1240 CG LEU A 78 88.334 3.902 -1.129 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.487 4.332 -0.213 1.00 0.00 C ATOM 1242 CD2 LEU A 78 87.921 5.081 -2.019 1.00 0.00 C ATOM 0 H LEU A 78 88.528 0.776 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 78 87.303 1.390 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.654 2.244 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.086 3.092 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 78 87.485 3.592 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.165 5.167 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.778 3.496 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.339 4.639 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.602 5.915 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 78 88.769 5.390 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.098 4.778 -2.666 1.00 0.00 H new ATOM 1254 N VAL A 79 85.587 3.008 -2.136 1.00 0.00 N ATOM 1255 CA VAL A 79 84.431 3.679 -2.724 1.00 0.00 C ATOM 1256 C VAL A 79 84.333 5.108 -2.194 1.00 0.00 C ATOM 1257 O VAL A 79 84.358 5.335 -0.984 1.00 0.00 O ATOM 1258 CB VAL A 79 83.143 2.908 -2.411 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.183 1.539 -3.095 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.006 2.714 -0.898 1.00 0.00 C ATOM 0 H VAL A 79 85.649 3.083 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 79 84.559 3.709 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 79 82.290 3.477 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.266 0.993 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.271 1.673 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.040 0.974 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.089 2.166 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.861 2.151 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 79 82.970 3.687 -0.408 1.00 0.00 H new ATOM 1270 N LEU A 80 84.242 6.066 -3.112 1.00 0.00 N ATOM 1271 CA LEU A 80 84.162 7.475 -2.737 1.00 0.00 C ATOM 1272 C LEU A 80 82.722 7.885 -2.434 1.00 0.00 C ATOM 1273 O LEU A 80 81.819 7.660 -3.241 1.00 0.00 O ATOM 1274 CB LEU A 80 84.720 8.341 -3.872 1.00 0.00 C ATOM 1275 CG LEU A 80 86.101 7.818 -4.293 1.00 0.00 C ATOM 1276 CD1 LEU A 80 86.428 8.302 -5.708 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.165 8.340 -3.322 1.00 0.00 C ATOM 0 H LEU A 80 84.222 5.894 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 80 84.754 7.624 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.039 8.324 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.797 9.378 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 80 86.091 6.728 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.409 7.929 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.675 7.931 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.434 9.392 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.145 7.968 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.170 9.430 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.938 7.994 -2.314 1.00 0.00 H new ATOM 1289 N ARG A 81 82.520 8.492 -1.264 1.00 0.00 N ATOM 1290 CA ARG A 81 81.190 8.939 -0.849 1.00 0.00 C ATOM 1291 C ARG A 81 80.765 10.175 -1.636 1.00 0.00 C ATOM 1292 O ARG A 81 81.443 10.589 -2.577 1.00 0.00 O ATOM 1293 CB ARG A 81 81.195 9.275 0.644 1.00 0.00 C ATOM 1294 CG ARG A 81 81.058 7.993 1.465 1.00 0.00 C ATOM 1295 CD ARG A 81 80.730 8.360 2.913 1.00 0.00 C ATOM 1296 NE ARG A 81 81.362 7.418 3.831 1.00 0.00 N ATOM 1297 CZ ARG A 81 81.148 7.489 5.139 1.00 0.00 C ATOM 1298 NH1 ARG A 81 81.835 8.326 5.868 1.00 0.00 N ATOM 1299 NH2 ARG A 81 80.251 6.722 5.695 1.00 0.00 N ATOM 0 H ARG A 81 83.259 8.685 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 81 80.484 8.132 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.120 9.789 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.375 9.955 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 81 80.272 7.362 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.983 7.419 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.075 9.372 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.650 8.353 3.061 1.00 0.00 H new ATOM 0 HE ARG A 81 81.978 6.694 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 81 82.536 8.925 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 81 81.671 8.381 6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 81 79.715 6.068 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 81 80.086 6.776 6.700 1.00 0.00 H new ATOM 1422 N ALA A 91 77.719 5.986 -7.891 1.00 0.00 N ATOM 1423 CA ALA A 91 78.304 5.986 -6.554 1.00 0.00 C ATOM 1424 C ALA A 91 77.978 7.295 -5.841 1.00 0.00 C ATOM 1425 O ALA A 91 78.711 8.278 -5.959 1.00 0.00 O ATOM 1426 CB ALA A 91 79.823 5.811 -6.649 1.00 0.00 C ATOM 0 HA ALA A 91 77.884 5.157 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.253 5.812 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.050 4.865 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.248 6.631 -7.227 1.00 0.00 H new ATOM 1432 N ASP A 92 76.865 7.301 -5.113 1.00 0.00 N ATOM 1433 CA ASP A 92 76.439 8.498 -4.395 1.00 0.00 C ATOM 1434 C ASP A 92 77.058 8.549 -3.001 1.00 0.00 C ATOM 1435 O ASP A 92 78.108 9.164 -2.808 1.00 0.00 O ATOM 1436 CB ASP A 92 74.913 8.527 -4.291 1.00 0.00 C ATOM 1437 CG ASP A 92 74.297 8.517 -5.688 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.159 7.442 -6.246 1.00 0.00 O ATOM 1439 OD2 ASP A 92 73.979 9.586 -6.182 1.00 0.00 O ATOM 0 H ASP A 92 76.246 6.497 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 92 76.780 9.371 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.562 7.665 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.593 9.417 -3.749 1.00 0.00 H new ATOM 1444 N GLU A 93 76.403 7.911 -2.029 1.00 0.00 N ATOM 1445 CA GLU A 93 76.907 7.912 -0.657 1.00 0.00 C ATOM 1446 C GLU A 93 76.715 6.550 0.008 1.00 0.00 C ATOM 1447 O GLU A 93 77.587 6.094 0.748 1.00 0.00 O ATOM 1448 CB GLU A 93 76.183 8.985 0.160 1.00 0.00 C ATOM 1449 CG GLU A 93 76.974 9.286 1.438 1.00 0.00 C ATOM 1450 CD GLU A 93 77.127 10.795 1.619 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.129 11.444 1.887 1.00 0.00 O ATOM 1452 OE2 GLU A 93 78.240 11.279 1.486 1.00 0.00 O ATOM 0 H GLU A 93 75.534 7.394 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 93 77.975 8.128 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.072 9.893 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.179 8.646 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.462 8.859 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.957 8.817 1.386 1.00 0.00 H new ATOM 1459 N GLU A 94 75.570 5.917 -0.239 1.00 0.00 N ATOM 1460 CA GLU A 94 75.279 4.615 0.363 1.00 0.00 C ATOM 1461 C GLU A 94 75.256 3.519 -0.700 1.00 0.00 C ATOM 1462 O GLU A 94 75.795 2.429 -0.496 1.00 0.00 O ATOM 1463 CB GLU A 94 73.926 4.664 1.074 1.00 0.00 C ATOM 1464 CG GLU A 94 74.008 5.622 2.266 1.00 0.00 C ATOM 1465 CD GLU A 94 72.616 5.850 2.850 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.909 6.700 2.331 1.00 0.00 O ATOM 1467 OE2 GLU A 94 72.276 5.172 3.806 1.00 0.00 O ATOM 0 H GLU A 94 74.834 6.279 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 94 76.065 4.387 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.151 4.994 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.646 3.667 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 94 74.668 5.210 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.439 6.572 1.950 1.00 0.00 H new ATOM 1474 N GLU A 95 74.629 3.818 -1.835 1.00 0.00 N ATOM 1475 CA GLU A 95 74.534 2.860 -2.933 1.00 0.00 C ATOM 1476 C GLU A 95 75.919 2.530 -3.489 1.00 0.00 C ATOM 1477 O GLU A 95 76.070 1.611 -4.293 1.00 0.00 O ATOM 1478 CB GLU A 95 73.642 3.421 -4.050 1.00 0.00 C ATOM 1479 CG GLU A 95 74.014 4.881 -4.338 1.00 0.00 C ATOM 1480 CD GLU A 95 73.003 5.820 -3.682 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.049 5.957 -2.470 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.199 6.390 -4.401 1.00 0.00 O ATOM 0 H GLU A 95 74.180 4.715 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 95 74.090 1.943 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.758 2.823 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.594 3.356 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.015 5.091 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 95 74.037 5.053 -5.414 1.00 0.00 H new ATOM 1489 N LEU A 96 76.923 3.288 -3.051 1.00 0.00 N ATOM 1490 CA LEU A 96 78.295 3.075 -3.505 1.00 0.00 C ATOM 1491 C LEU A 96 78.898 1.818 -2.872 1.00 0.00 C ATOM 1492 O LEU A 96 79.968 1.365 -3.276 1.00 0.00 O ATOM 1493 CB LEU A 96 79.147 4.314 -3.166 1.00 0.00 C ATOM 1494 CG LEU A 96 79.820 4.158 -1.795 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.699 5.381 -1.523 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.755 4.050 -0.702 1.00 0.00 C ATOM 0 H LEU A 96 76.812 4.052 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 96 78.287 2.928 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.907 4.459 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.518 5.204 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 96 80.430 3.254 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 96 81.179 5.275 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.462 5.460 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.083 6.280 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.239 3.939 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 96 78.142 4.951 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 96 78.124 3.182 -0.893 1.00 0.00 H new ATOM 1508 N ILE A 97 78.201 1.262 -1.882 1.00 0.00 N ATOM 1509 CA ILE A 97 78.673 0.058 -1.198 1.00 0.00 C ATOM 1510 C ILE A 97 78.037 -1.193 -1.799 1.00 0.00 C ATOM 1511 O ILE A 97 78.735 -2.148 -2.143 1.00 0.00 O ATOM 1512 CB ILE A 97 78.344 0.142 0.300 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.395 1.009 1.006 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.350 -1.262 0.920 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.708 1.918 2.028 1.00 0.00 C ATOM 0 H ILE A 97 77.312 1.623 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 97 79.753 -0.008 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 97 77.355 0.585 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.129 0.375 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.936 1.610 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 97 78.116 -1.192 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.603 -1.882 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.335 -1.711 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.456 2.533 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.991 2.562 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.187 1.308 2.766 1.00 0.00 H new ATOM 1527 N ARG A 98 76.711 -1.185 -1.914 1.00 0.00 N ATOM 1528 CA ARG A 98 75.989 -2.331 -2.465 1.00 0.00 C ATOM 1529 C ARG A 98 76.322 -2.533 -3.941 1.00 0.00 C ATOM 1530 O ARG A 98 76.363 -3.665 -4.424 1.00 0.00 O ATOM 1531 CB ARG A 98 74.478 -2.126 -2.302 1.00 0.00 C ATOM 1532 CG ARG A 98 74.047 -0.844 -3.021 1.00 0.00 C ATOM 1533 CD ARG A 98 72.699 -0.376 -2.467 1.00 0.00 C ATOM 1534 NE ARG A 98 72.876 0.218 -1.147 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.836 0.459 -0.355 1.00 0.00 C ATOM 1536 NH1 ARG A 98 71.145 1.556 -0.501 1.00 0.00 N ATOM 1537 NH2 ARG A 98 71.506 -0.403 0.569 1.00 0.00 N ATOM 0 H ARG A 98 76.117 -0.404 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 98 76.299 -3.221 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.940 -2.981 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.222 -2.064 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.799 -0.067 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.969 -1.025 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.252 0.352 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.011 -1.219 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 98 73.815 0.453 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 98 71.403 2.229 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 98 70.347 1.741 0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 98 72.046 -1.261 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.708 -0.219 1.177 1.00 0.00 H new ATOM 1551 N LYS A 99 76.561 -1.433 -4.649 1.00 0.00 N ATOM 1552 CA LYS A 99 76.888 -1.511 -6.068 1.00 0.00 C ATOM 1553 C LYS A 99 78.323 -1.988 -6.259 1.00 0.00 C ATOM 1554 O LYS A 99 78.600 -2.775 -7.155 1.00 0.00 O ATOM 1555 CB LYS A 99 76.702 -0.142 -6.737 1.00 0.00 C ATOM 1556 CG LYS A 99 77.907 0.758 -6.435 1.00 0.00 C ATOM 1557 CD LYS A 99 77.627 2.182 -6.924 1.00 0.00 C ATOM 1558 CE LYS A 99 77.594 2.207 -8.455 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.180 2.175 -8.922 1.00 0.00 N ATOM 0 H LYS A 99 76.535 -0.487 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 99 76.212 -2.228 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.592 -0.267 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.787 0.327 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.108 0.765 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.798 0.364 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.675 2.533 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.397 2.861 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.090 3.104 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.140 1.352 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.097 1.530 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.567 1.842 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.887 3.131 -9.208 1.00 0.00 H new ATOM 1573 N ALA A 100 79.222 -1.522 -5.395 1.00 0.00 N ATOM 1574 CA ALA A 100 80.625 -1.915 -5.463 1.00 0.00 C ATOM 1575 C ALA A 100 80.790 -3.351 -4.987 1.00 0.00 C ATOM 1576 O ALA A 100 81.683 -4.070 -5.438 1.00 0.00 O ATOM 1577 CB ALA A 100 81.466 -0.984 -4.590 1.00 0.00 C ATOM 0 H ALA A 100 79.003 -0.872 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 100 80.962 -1.843 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.513 -1.282 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.361 0.041 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.124 -1.047 -3.557 1.00 0.00 H new ATOM 1583 N ILE A 101 79.900 -3.764 -4.091 1.00 0.00 N ATOM 1584 CA ILE A 101 79.920 -5.122 -3.568 1.00 0.00 C ATOM 1585 C ILE A 101 79.497 -6.093 -4.665 1.00 0.00 C ATOM 1586 O ILE A 101 80.038 -7.192 -4.791 1.00 0.00 O ATOM 1587 CB ILE A 101 78.952 -5.234 -2.381 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.684 -4.845 -1.091 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.430 -6.673 -2.265 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.667 -4.575 0.021 1.00 0.00 C ATOM 0 H ILE A 101 79.157 -3.177 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 101 80.928 -5.366 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 101 78.108 -4.563 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.361 -5.645 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.294 -3.958 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.744 -6.744 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.907 -6.945 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.268 -7.353 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.192 -4.299 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.008 -3.760 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.076 -5.473 0.199 1.00 0.00 H new ATOM 1602 N GLU A 102 78.503 -5.672 -5.435 1.00 0.00 N ATOM 1603 CA GLU A 102 77.959 -6.486 -6.511 1.00 0.00 C ATOM 1604 C GLU A 102 78.629 -6.187 -7.857 1.00 0.00 C ATOM 1605 O GLU A 102 78.402 -6.902 -8.833 1.00 0.00 O ATOM 1606 CB GLU A 102 76.455 -6.230 -6.613 1.00 0.00 C ATOM 1607 CG GLU A 102 75.775 -7.409 -7.309 1.00 0.00 C ATOM 1608 CD GLU A 102 74.334 -7.542 -6.825 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.127 -8.187 -5.810 1.00 0.00 O ATOM 1610 OE2 GLU A 102 73.458 -6.995 -7.474 1.00 0.00 O ATOM 0 H GLU A 102 78.054 -4.762 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 102 78.155 -7.533 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.032 -6.090 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.270 -5.311 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.792 -7.263 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.323 -8.329 -7.103 1.00 0.00 H new ATOM 1617 N LEU A 103 79.421 -5.118 -7.926 1.00 0.00 N ATOM 1618 CA LEU A 103 80.063 -4.758 -9.192 1.00 0.00 C ATOM 1619 C LEU A 103 81.425 -5.431 -9.363 1.00 0.00 C ATOM 1620 O LEU A 103 81.570 -6.352 -10.165 1.00 0.00 O ATOM 1621 CB LEU A 103 80.250 -3.237 -9.265 1.00 0.00 C ATOM 1622 CG LEU A 103 79.011 -2.582 -9.887 1.00 0.00 C ATOM 1623 CD1 LEU A 103 79.123 -1.062 -9.760 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.913 -2.962 -11.370 1.00 0.00 C ATOM 0 H LEU A 103 79.631 -4.499 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 103 79.410 -5.105 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.420 -2.836 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 103 81.133 -3.000 -9.859 1.00 0.00 H new ATOM 0 HG LEU A 103 78.119 -2.930 -9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 103 78.243 -0.594 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 103 79.189 -0.789 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 103 80.017 -0.718 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 103 78.031 -2.494 -11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.805 -2.617 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.834 -4.045 -11.464 1.00 0.00 H new ATOM 1636 N SER A 104 82.423 -4.939 -8.634 1.00 0.00 N ATOM 1637 CA SER A 104 83.782 -5.472 -8.742 1.00 0.00 C ATOM 1638 C SER A 104 84.120 -6.435 -7.611 1.00 0.00 C ATOM 1639 O SER A 104 85.159 -7.094 -7.647 1.00 0.00 O ATOM 1640 CB SER A 104 84.784 -4.320 -8.743 1.00 0.00 C ATOM 1641 OG SER A 104 84.502 -3.453 -9.834 1.00 0.00 O ATOM 0 H SER A 104 82.320 -4.176 -7.965 1.00 0.00 H new ATOM 0 HA SER A 104 83.840 -6.030 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.726 -3.771 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.800 -4.707 -8.824 1.00 0.00 H new ATOM 0 HG SER A 104 85.143 -2.711 -9.836 1.00 0.00 H new ATOM 1647 N LEU A 105 83.267 -6.499 -6.599 1.00 0.00 N ATOM 1648 CA LEU A 105 83.527 -7.367 -5.461 1.00 0.00 C ATOM 1649 C LEU A 105 83.004 -8.773 -5.711 1.00 0.00 C ATOM 1650 O LEU A 105 83.590 -9.752 -5.246 1.00 0.00 O ATOM 1651 CB LEU A 105 82.864 -6.783 -4.212 1.00 0.00 C ATOM 1652 CG LEU A 105 83.906 -6.098 -3.314 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.073 -7.047 -3.023 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.432 -4.837 -4.007 1.00 0.00 C ATOM 0 H LEU A 105 82.399 -5.967 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 105 84.605 -7.428 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.098 -6.064 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.362 -7.575 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 105 83.430 -5.828 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.801 -6.544 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.700 -7.937 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.549 -7.336 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.171 -4.352 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.895 -5.109 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.605 -4.151 -4.190 1.00 0.00 H new