USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 30 TYR OH : rot 98:sc= -7.55! USER MOD Set 1.2: A 81 ASN : amide:sc= -3.5 K(o=-11,f=-20!) USER MOD Set 1.3: A 82 THR OG1 : rot -52:sc= 0.0288 USER MOD Set 2.1: A 66 GLN : amide:sc= -1.46 K(o=-1.9,f=-0.57) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= -0.442 USER MOD Set 3.1: A 60 GLN : amide:sc= 0.00896 K(o=0.025,f=-0.96) USER MOD Set 3.2: A 64 GLN : amide:sc= 0.0164 K(o=0.025,f=-0.96) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= -0.0579 USER MOD Set 4.2: A 87 TYR OH : rot 155:sc=-0.00527 USER MOD Single : A 10 SER OG : rot 170:sc= -3.36! USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= -7.31! (180deg=-13.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-6.1!) USER MOD Single : A 39 SER OG : rot -173:sc= -0.864 USER MOD Single : A 48 ASN : amide:sc= -3.59! C(o=-3.6!,f=-13!) USER MOD Single : A 54 THR OG1 : rot -64:sc= 1.49 USER MOD Single : A 58 CYS SG : rot 160:sc= -0.514 USER MOD Single : A 68 SER OG : rot -26:sc= 0.354 USER MOD Single : A 70 GLN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 71 THR OG1 : rot -34:sc= 1 USER MOD Single : A 73 SER OG : rot -143:sc= -2.75! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 70:sc= -5.96! USER MOD Single : A 90 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-8.6!) USER MOD Single : A 91 GLN : amide:sc= -7.67! C(o=-7.7!,f=-6.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 0.985 12.436 6.324 1.00 0.00 N ATOM 117 CA LEU A 9 2.271 11.981 6.826 1.00 0.00 C ATOM 118 C LEU A 9 2.722 12.854 7.995 1.00 0.00 C ATOM 119 O LEU A 9 1.975 13.714 8.459 1.00 0.00 O ATOM 120 CB LEU A 9 3.260 11.963 5.650 1.00 0.00 C ATOM 121 CG LEU A 9 3.255 10.732 4.761 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.174 10.919 3.562 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.707 9.531 5.586 1.00 0.00 C ATOM 0 HA LEU A 9 2.208 10.969 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.058 12.833 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.266 12.086 6.052 1.00 0.00 H new ATOM 0 HG LEU A 9 2.246 10.569 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.151 10.022 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.838 11.774 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.193 11.095 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.708 8.639 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.713 9.709 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.023 9.386 6.422 1.00 0.00 H new ATOM 135 N SER A 10 4.008 12.757 8.314 1.00 0.00 N ATOM 136 CA SER A 10 4.665 13.727 9.182 1.00 0.00 C ATOM 137 C SER A 10 5.846 14.369 8.461 1.00 0.00 C ATOM 138 O SER A 10 6.218 13.951 7.365 1.00 0.00 O ATOM 139 CB SER A 10 5.099 13.095 10.499 1.00 0.00 C ATOM 140 OG SER A 10 6.285 12.336 10.343 1.00 0.00 O ATOM 0 H SER A 10 4.619 12.011 7.982 1.00 0.00 H new ATOM 0 HA SER A 10 3.944 14.508 9.423 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.260 13.875 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.302 12.454 10.877 1.00 0.00 H new ATOM 0 HG SER A 10 6.627 12.078 11.225 1.00 0.00 H new ATOM 146 N GLY A 11 6.542 15.242 9.183 1.00 0.00 N ATOM 147 CA GLY A 11 7.686 15.952 8.632 1.00 0.00 C ATOM 148 C GLY A 11 8.787 14.970 8.244 1.00 0.00 C ATOM 149 O GLY A 11 8.969 14.661 7.067 1.00 0.00 O ATOM 0 H GLY A 11 6.331 15.474 10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.379 16.527 7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.067 16.664 9.364 1.00 0.00 H new ATOM 153 N GLY A 12 9.330 14.305 9.262 1.00 0.00 N ATOM 154 CA GLY A 12 10.384 13.322 9.058 1.00 0.00 C ATOM 155 C GLY A 12 9.887 12.179 8.181 1.00 0.00 C ATOM 156 O GLY A 12 10.608 11.678 7.322 1.00 0.00 O ATOM 0 H GLY A 12 9.055 14.432 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.247 13.797 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.716 12.932 10.020 1.00 0.00 H new ATOM 160 N GLU A 13 8.610 11.845 8.350 1.00 0.00 N ATOM 161 CA GLU A 13 8.025 10.695 7.675 1.00 0.00 C ATOM 162 C GLU A 13 7.861 10.981 6.185 1.00 0.00 C ATOM 163 O GLU A 13 7.992 10.083 5.354 1.00 0.00 O ATOM 164 CB GLU A 13 6.671 10.411 8.339 1.00 0.00 C ATOM 165 CG GLU A 13 6.498 9.653 9.525 1.00 0.00 C ATOM 166 CD GLU A 13 5.095 9.472 10.024 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.245 8.811 9.454 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.905 10.046 11.118 1.00 0.00 O ATOM 0 H GLU A 13 7.962 12.356 8.949 1.00 0.00 H new ATOM 0 HA GLU A 13 8.673 9.823 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.222 11.385 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.059 9.925 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.928 8.665 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.080 10.126 10.316 1.00 0.00 H new ATOM 175 N LEU A 14 7.732 12.263 5.860 1.00 0.00 N ATOM 176 CA LEU A 14 7.840 12.725 4.483 1.00 0.00 C ATOM 177 C LEU A 14 9.252 12.477 3.952 1.00 0.00 C ATOM 178 O LEU A 14 9.416 12.025 2.816 1.00 0.00 O ATOM 179 CB LEU A 14 7.423 14.203 4.443 1.00 0.00 C ATOM 180 CG LEU A 14 6.217 14.558 3.589 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.330 13.949 2.200 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.960 14.050 4.288 1.00 0.00 C ATOM 0 H LEU A 14 7.551 13.004 6.537 1.00 0.00 H new ATOM 0 HA LEU A 14 7.174 12.169 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.221 14.526 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.273 14.785 4.087 1.00 0.00 H new ATOM 0 HG LEU A 14 6.168 15.640 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.453 14.220 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.227 14.326 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.391 12.864 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.085 14.297 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.023 12.969 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.873 14.521 5.267 1.00 0.00 H new ATOM 194 N ASP A 15 10.218 13.095 4.628 1.00 0.00 N ATOM 195 CA ASP A 15 11.600 13.094 4.177 1.00 0.00 C ATOM 196 C ASP A 15 12.134 11.663 4.103 1.00 0.00 C ATOM 197 O ASP A 15 13.023 11.371 3.302 1.00 0.00 O ATOM 198 CB ASP A 15 12.468 14.038 5.005 1.00 0.00 C ATOM 199 CG ASP A 15 12.486 15.458 4.474 1.00 0.00 C ATOM 200 OD1 ASP A 15 11.390 15.918 4.086 1.00 0.00 O ATOM 201 OD2 ASP A 15 13.529 16.131 4.496 1.00 0.00 O ATOM 0 H ASP A 15 10.063 13.606 5.497 1.00 0.00 H new ATOM 0 HA ASP A 15 11.641 13.493 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.105 14.047 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.488 13.654 5.030 1.00 0.00 H new ATOM 206 N LYS A 16 11.404 10.755 4.742 1.00 0.00 N ATOM 207 CA LYS A 16 11.572 9.325 4.517 1.00 0.00 C ATOM 208 C LYS A 16 10.720 8.870 3.336 1.00 0.00 C ATOM 209 O LYS A 16 11.217 8.216 2.419 1.00 0.00 O ATOM 210 CB LYS A 16 11.189 8.508 5.752 1.00 0.00 C ATOM 211 CG LYS A 16 11.710 7.070 5.731 1.00 0.00 C ATOM 212 CD LYS A 16 10.954 6.175 4.766 1.00 0.00 C ATOM 213 CE LYS A 16 9.493 6.172 4.937 1.00 0.00 C ATOM 214 NZ LYS A 16 8.908 4.853 4.587 1.00 0.00 N ATOM 0 H LYS A 16 10.684 10.988 5.426 1.00 0.00 H new ATOM 0 HA LYS A 16 12.627 9.155 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.572 9.010 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.103 8.489 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.766 7.077 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.642 6.651 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.185 6.487 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.320 5.154 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.246 6.419 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.050 6.946 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.081 4.992 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.618 4.279 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.614 4.362 5.455 1.00 0.00 H new ATOM 228 N TRP A 17 9.530 9.463 3.239 1.00 0.00 N ATOM 229 CA TRP A 17 8.594 9.125 2.178 1.00 0.00 C ATOM 230 C TRP A 17 9.125 9.581 0.825 1.00 0.00 C ATOM 231 O TRP A 17 8.737 9.055 -0.220 1.00 0.00 O ATOM 232 CB TRP A 17 7.196 9.672 2.469 1.00 0.00 C ATOM 233 CG TRP A 17 6.188 9.379 1.394 1.00 0.00 C ATOM 234 CD1 TRP A 17 6.117 9.963 0.157 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.372 8.198 1.319 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.301 9.227 -0.674 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.814 8.156 0.021 1.00 0.00 C ATOM 238 CE3 TRP A 17 5.039 7.209 2.239 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.923 7.167 -0.370 1.00 0.00 C ATOM 240 CZ3 TRP A 17 4.048 6.308 1.896 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.554 6.238 0.592 1.00 0.00 C ATOM 0 H TRP A 17 9.196 10.179 3.884 1.00 0.00 H new ATOM 0 HA TRP A 17 8.499 8.040 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.841 9.251 3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.261 10.751 2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.628 10.871 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.094 9.446 -1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.540 7.147 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.535 7.122 -1.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.649 5.646 2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.871 5.445 0.327 1.00 0.00 H new ATOM 252 N GLU A 18 10.177 10.403 0.856 1.00 0.00 N ATOM 253 CA GLU A 18 10.527 11.194 -0.325 1.00 0.00 C ATOM 254 C GLU A 18 11.564 10.468 -1.175 1.00 0.00 C ATOM 255 O GLU A 18 12.161 11.069 -2.075 1.00 0.00 O ATOM 256 CB GLU A 18 11.063 12.541 0.177 1.00 0.00 C ATOM 257 CG GLU A 18 11.725 13.499 -0.634 1.00 0.00 C ATOM 258 CD GLU A 18 10.946 14.091 -1.771 1.00 0.00 C ATOM 259 OE1 GLU A 18 9.886 14.628 -1.386 1.00 0.00 O ATOM 260 OE2 GLU A 18 11.336 14.121 -2.925 1.00 0.00 O ATOM 0 H GLU A 18 10.786 10.537 1.663 1.00 0.00 H new ATOM 0 HA GLU A 18 9.655 11.347 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.211 13.058 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.751 12.307 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.057 14.314 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.620 13.033 -1.045 1.00 0.00 H new ATOM 267 N LYS A 19 11.590 9.146 -1.054 1.00 0.00 N ATOM 268 CA LYS A 19 12.188 8.281 -2.070 1.00 0.00 C ATOM 269 C LYS A 19 12.028 6.821 -1.663 1.00 0.00 C ATOM 270 O LYS A 19 12.892 6.261 -0.973 1.00 0.00 O ATOM 271 CB LYS A 19 13.663 8.599 -2.293 1.00 0.00 C ATOM 272 CG LYS A 19 14.341 7.722 -3.348 1.00 0.00 C ATOM 273 CD LYS A 19 15.620 8.329 -3.891 1.00 0.00 C ATOM 274 CE LYS A 19 16.854 7.639 -3.483 1.00 0.00 C ATOM 275 NZ LYS A 19 17.950 7.861 -4.460 1.00 0.00 N ATOM 0 H LYS A 19 11.201 8.644 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 19 11.666 8.463 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.757 9.644 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.194 8.487 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.564 6.748 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.648 7.553 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.568 8.337 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.678 9.368 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.163 7.995 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.660 6.571 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.805 7.361 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.663 7.499 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.151 8.879 -4.531 1.00 0.00 H new ATOM 289 N ILE A 20 10.765 6.366 -1.688 1.00 0.00 N ATOM 290 CA ILE A 20 10.536 4.908 -1.594 1.00 0.00 C ATOM 291 C ILE A 20 10.645 4.302 -2.983 1.00 0.00 C ATOM 292 O ILE A 20 9.688 4.341 -3.760 1.00 0.00 O ATOM 293 CB ILE A 20 9.217 4.620 -0.824 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.541 4.427 0.700 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.366 3.424 -1.312 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.959 5.514 1.624 1.00 0.00 C ATOM 0 H ILE A 20 9.928 6.944 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 20 11.303 4.413 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 20 8.596 5.494 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.160 3.457 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.623 4.402 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.475 3.334 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.070 3.587 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.952 2.508 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.233 5.299 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.358 6.487 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.873 5.526 1.532 1.00 0.00 H new ATOM 308 N ARG A 21 11.817 3.780 -3.330 1.00 0.00 N ATOM 309 CA ARG A 21 12.216 3.700 -4.746 1.00 0.00 C ATOM 310 C ARG A 21 11.239 2.847 -5.536 1.00 0.00 C ATOM 311 O ARG A 21 10.879 1.746 -5.104 1.00 0.00 O ATOM 312 CB ARG A 21 13.637 3.130 -4.868 1.00 0.00 C ATOM 313 CG ARG A 21 14.139 2.949 -6.291 1.00 0.00 C ATOM 314 CD ARG A 21 14.914 1.684 -6.447 1.00 0.00 C ATOM 315 NE ARG A 21 15.952 1.550 -5.435 1.00 0.00 N ATOM 316 CZ ARG A 21 17.241 1.805 -5.671 1.00 0.00 C ATOM 317 NH1 ARG A 21 17.640 2.386 -6.797 1.00 0.00 N ATOM 318 NH2 ARG A 21 18.143 1.516 -4.731 1.00 0.00 N ATOM 0 H ARG A 21 12.501 3.410 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 21 12.203 4.708 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.323 3.791 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.669 2.165 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.292 2.944 -6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.767 3.797 -6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.235 0.833 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.368 1.657 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 21 15.681 1.246 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.955 2.648 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.631 2.570 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.844 1.106 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.131 1.705 -4.897 1.00 0.00 H new ATOM 464 N TYR A 30 9.346 6.635 -5.026 1.00 0.00 N ATOM 465 CA TYR A 30 8.096 7.131 -4.437 1.00 0.00 C ATOM 466 C TYR A 30 8.364 8.618 -4.011 1.00 0.00 C ATOM 467 O TYR A 30 9.202 8.739 -3.075 1.00 0.00 O ATOM 468 CB TYR A 30 7.724 6.367 -3.163 1.00 0.00 C ATOM 469 CG TYR A 30 6.742 5.213 -3.320 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.950 4.235 -4.292 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.813 4.934 -2.305 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.309 2.999 -4.234 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.125 3.721 -2.261 1.00 0.00 C ATOM 474 CZ TYR A 30 5.393 2.747 -3.221 1.00 0.00 C ATOM 475 OH TYR A 30 4.898 1.471 -3.110 1.00 0.00 O ATOM 0 HA TYR A 30 7.291 7.017 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.640 5.976 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.304 7.077 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.625 4.441 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.627 5.675 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.523 2.241 -4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.391 3.539 -1.490 1.00 0.00 H new ATOM 0 HH TYR A 30 5.394 0.987 -2.418 1.00 0.00 H new ATOM 485 N LYS A 31 7.244 9.344 -4.002 1.00 0.00 N ATOM 486 CA LYS A 31 7.229 10.685 -3.442 1.00 0.00 C ATOM 487 C LYS A 31 5.797 11.153 -3.198 1.00 0.00 C ATOM 488 O LYS A 31 4.833 10.483 -3.566 1.00 0.00 O ATOM 489 CB LYS A 31 7.929 11.692 -4.358 1.00 0.00 C ATOM 490 CG LYS A 31 8.710 12.772 -3.610 1.00 0.00 C ATOM 491 CD LYS A 31 8.554 14.152 -4.222 1.00 0.00 C ATOM 492 CE LYS A 31 9.418 14.416 -5.383 1.00 0.00 C ATOM 493 NZ LYS A 31 9.738 15.860 -5.506 1.00 0.00 N ATOM 0 H LYS A 31 6.349 9.026 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 31 7.769 10.637 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.611 11.155 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.183 12.171 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.376 12.801 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.767 12.504 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.515 14.285 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.762 14.899 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.341 13.845 -5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.923 14.073 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.348 16.011 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.858 16.402 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.232 16.180 -4.649 1.00 0.00 H new ATOM 507 N LEU A 32 5.673 12.287 -2.512 1.00 0.00 N ATOM 508 CA LEU A 32 4.408 12.661 -1.883 1.00 0.00 C ATOM 509 C LEU A 32 3.395 13.078 -2.942 1.00 0.00 C ATOM 510 O LEU A 32 2.191 12.891 -2.773 1.00 0.00 O ATOM 511 CB LEU A 32 4.701 13.742 -0.834 1.00 0.00 C ATOM 512 CG LEU A 32 3.580 14.075 0.138 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.448 12.999 1.206 1.00 0.00 C ATOM 514 CD2 LEU A 32 3.877 15.424 0.782 1.00 0.00 C ATOM 0 H LEU A 32 6.428 12.960 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 32 3.950 11.817 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.570 13.428 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.980 14.657 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 32 2.635 14.121 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.639 13.261 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.228 12.042 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.382 12.922 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.081 15.676 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.826 15.371 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.937 16.191 0.009 1.00 0.00 H new ATOM 526 N LYS A 33 3.915 13.457 -4.106 1.00 0.00 N ATOM 527 CA LYS A 33 3.078 13.875 -5.219 1.00 0.00 C ATOM 528 C LYS A 33 2.203 12.715 -5.692 1.00 0.00 C ATOM 529 O LYS A 33 0.986 12.885 -5.832 1.00 0.00 O ATOM 530 CB LYS A 33 3.896 14.399 -6.396 1.00 0.00 C ATOM 531 CG LYS A 33 3.752 15.902 -6.636 1.00 0.00 C ATOM 532 CD LYS A 33 2.510 16.262 -7.430 1.00 0.00 C ATOM 533 CE LYS A 33 1.827 17.489 -6.989 1.00 0.00 C ATOM 534 NZ LYS A 33 0.553 17.180 -6.290 1.00 0.00 N ATOM 0 H LYS A 33 4.916 13.482 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 33 2.453 14.690 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.948 14.168 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.596 13.867 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.723 16.416 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.633 16.265 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.786 16.374 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.807 15.431 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.481 18.052 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.626 18.125 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.097 18.066 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.080 16.664 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.749 16.594 -5.454 1.00 0.00 H new ATOM 548 N HIS A 34 2.734 11.502 -5.493 1.00 0.00 N ATOM 549 CA HIS A 34 2.030 10.310 -5.963 1.00 0.00 C ATOM 550 C HIS A 34 1.505 9.497 -4.786 1.00 0.00 C ATOM 551 O HIS A 34 0.599 8.672 -4.951 1.00 0.00 O ATOM 552 CB HIS A 34 2.758 9.478 -7.006 1.00 0.00 C ATOM 553 CG HIS A 34 3.647 8.371 -6.506 1.00 0.00 C ATOM 554 ND1 HIS A 34 4.532 8.504 -5.468 1.00 0.00 N ATOM 555 CD2 HIS A 34 3.550 7.035 -6.741 1.00 0.00 C ATOM 556 CE1 HIS A 34 4.915 7.302 -5.061 1.00 0.00 C ATOM 557 NE2 HIS A 34 4.316 6.395 -5.799 1.00 0.00 N ATOM 0 H HIS A 34 3.622 11.325 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 34 1.175 10.679 -6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.012 9.039 -7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.365 10.151 -7.611 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.847 9.389 -5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.976 6.564 -7.525 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.606 7.101 -4.255 1.00 0.00 H new ATOM 565 N ILE A 35 1.868 9.923 -3.573 1.00 0.00 N ATOM 566 CA ILE A 35 1.022 9.701 -2.396 1.00 0.00 C ATOM 567 C ILE A 35 -0.311 10.438 -2.597 1.00 0.00 C ATOM 568 O ILE A 35 -1.296 10.089 -1.936 1.00 0.00 O ATOM 569 CB ILE A 35 1.756 10.044 -1.073 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.439 8.928 -0.017 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.515 11.443 -0.477 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.250 9.064 1.291 1.00 0.00 C ATOM 0 H ILE A 35 2.737 10.421 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 35 0.795 8.640 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 35 2.813 10.074 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.376 8.956 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.641 7.953 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.087 11.549 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.833 12.202 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.454 11.569 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.978 8.258 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.315 9.005 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.030 10.024 1.757 1.00 0.00 H new ATOM 584 N VAL A 36 -0.158 11.695 -3.026 1.00 0.00 N ATOM 585 CA VAL A 36 -1.292 12.611 -3.117 1.00 0.00 C ATOM 586 C VAL A 36 -2.298 12.066 -4.140 1.00 0.00 C ATOM 587 O VAL A 36 -3.442 11.775 -3.760 1.00 0.00 O ATOM 588 CB VAL A 36 -0.803 14.038 -3.400 1.00 0.00 C ATOM 589 CG1 VAL A 36 -1.927 15.006 -3.751 1.00 0.00 C ATOM 590 CG2 VAL A 36 0.029 14.586 -2.243 1.00 0.00 C ATOM 0 H VAL A 36 0.735 12.096 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.822 12.674 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.169 13.958 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.510 15.995 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.444 14.655 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.632 15.061 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.358 15.598 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.576 14.603 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.899 13.949 -2.087 1.00 0.00 H new ATOM 600 N TRP A 37 -1.739 11.487 -5.200 1.00 0.00 N ATOM 601 CA TRP A 37 -2.490 10.648 -6.125 1.00 0.00 C ATOM 602 C TRP A 37 -3.097 9.455 -5.378 1.00 0.00 C ATOM 603 O TRP A 37 -4.163 8.964 -5.771 1.00 0.00 O ATOM 604 CB TRP A 37 -1.619 10.228 -7.304 1.00 0.00 C ATOM 605 CG TRP A 37 -2.208 9.209 -8.221 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.680 9.415 -9.490 1.00 0.00 C ATOM 607 CD2 TRP A 37 -2.128 7.782 -8.059 1.00 0.00 C ATOM 608 NE1 TRP A 37 -2.960 8.214 -10.098 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.628 7.198 -9.246 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.717 6.962 -7.014 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.710 5.824 -9.417 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.804 5.595 -7.182 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.236 5.032 -8.381 1.00 0.00 C ATOM 0 H TRP A 37 -0.753 11.587 -5.440 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.318 11.221 -6.543 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.378 11.117 -7.887 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.679 9.838 -6.915 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.813 10.384 -9.948 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.352 8.100 -11.033 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.339 7.384 -6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.124 5.390 -10.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.530 4.945 -6.364 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.201 3.960 -8.506 1.00 0.00 H new ATOM 624 N ALA A 38 -2.208 8.749 -4.678 1.00 0.00 N ATOM 625 CA ALA A 38 -2.541 7.470 -4.065 1.00 0.00 C ATOM 626 C ALA A 38 -3.665 7.657 -3.044 1.00 0.00 C ATOM 627 O ALA A 38 -4.831 7.392 -3.333 1.00 0.00 O ATOM 628 CB ALA A 38 -1.300 6.904 -3.368 1.00 0.00 C ATOM 0 H ALA A 38 -1.245 9.048 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.875 6.777 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.546 5.947 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.505 6.761 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.965 7.600 -2.599 1.00 0.00 H new ATOM 634 N SER A 39 -3.341 8.408 -1.992 1.00 0.00 N ATOM 635 CA SER A 39 -4.279 8.699 -0.926 1.00 0.00 C ATOM 636 C SER A 39 -5.537 9.382 -1.478 1.00 0.00 C ATOM 637 O SER A 39 -6.644 9.070 -1.020 1.00 0.00 O ATOM 638 CB SER A 39 -3.640 9.558 0.164 1.00 0.00 C ATOM 639 OG SER A 39 -2.581 8.872 0.804 1.00 0.00 O ATOM 0 H SER A 39 -2.421 8.828 -1.861 1.00 0.00 H new ATOM 0 HA SER A 39 -4.568 7.749 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.265 10.484 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.394 9.835 0.900 1.00 0.00 H new ATOM 0 HG SER A 39 -2.264 9.399 1.567 1.00 0.00 H new ATOM 645 N ARG A 40 -5.388 9.914 -2.690 1.00 0.00 N ATOM 646 CA ARG A 40 -6.523 10.396 -3.465 1.00 0.00 C ATOM 647 C ARG A 40 -7.357 9.228 -3.975 1.00 0.00 C ATOM 648 O ARG A 40 -8.496 9.034 -3.554 1.00 0.00 O ATOM 649 CB ARG A 40 -6.084 11.284 -4.634 1.00 0.00 C ATOM 650 CG ARG A 40 -7.219 11.799 -5.508 1.00 0.00 C ATOM 651 CD ARG A 40 -6.948 13.179 -6.004 1.00 0.00 C ATOM 652 NE ARG A 40 -8.157 13.990 -6.062 1.00 0.00 N ATOM 653 CZ ARG A 40 -8.536 14.807 -5.078 1.00 0.00 C ATOM 654 NH1 ARG A 40 -7.936 14.793 -3.891 1.00 0.00 N ATOM 655 NH2 ARG A 40 -9.576 15.620 -5.272 1.00 0.00 N ATOM 0 H ARG A 40 -4.487 10.021 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.133 11.006 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.535 12.137 -4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.390 10.721 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.359 11.128 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.149 11.792 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.220 13.661 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.501 13.125 -6.996 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.742 13.930 -6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.166 14.147 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.245 15.428 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.070 15.612 -6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.877 16.250 -4.528 1.00 0.00 H new ATOM 669 N GLU A 41 -6.732 8.390 -4.797 1.00 0.00 N ATOM 670 CA GLU A 41 -7.442 7.332 -5.497 1.00 0.00 C ATOM 671 C GLU A 41 -8.084 6.369 -4.502 1.00 0.00 C ATOM 672 O GLU A 41 -9.179 5.856 -4.734 1.00 0.00 O ATOM 673 CB GLU A 41 -6.432 6.603 -6.392 1.00 0.00 C ATOM 674 CG GLU A 41 -6.780 5.851 -7.545 1.00 0.00 C ATOM 675 CD GLU A 41 -6.268 6.340 -8.865 1.00 0.00 C ATOM 676 OE1 GLU A 41 -5.797 7.450 -9.050 1.00 0.00 O ATOM 677 OE2 GLU A 41 -6.335 5.462 -9.753 1.00 0.00 O ATOM 0 H GLU A 41 -5.732 8.426 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.244 7.750 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.723 7.360 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.886 5.921 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.424 4.831 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.868 5.804 -7.602 1.00 0.00 H new ATOM 684 N LEU A 42 -7.443 6.250 -3.342 1.00 0.00 N ATOM 685 CA LEU A 42 -7.996 5.475 -2.240 1.00 0.00 C ATOM 686 C LEU A 42 -9.328 6.078 -1.790 1.00 0.00 C ATOM 687 O LEU A 42 -10.376 5.442 -1.846 1.00 0.00 O ATOM 688 CB LEU A 42 -6.948 5.506 -1.096 1.00 0.00 C ATOM 689 CG LEU A 42 -7.408 4.853 0.201 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.504 3.688 0.562 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.431 5.890 1.313 1.00 0.00 C ATOM 0 H LEU A 42 -6.540 6.681 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.196 4.446 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.041 5.007 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.683 6.543 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.416 4.461 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.849 3.234 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.531 2.946 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.483 4.046 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.760 5.422 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.430 6.300 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.119 6.693 1.048 1.00 0.00 H new ATOM 703 N GLU A 43 -9.215 7.252 -1.174 1.00 0.00 N ATOM 704 CA GLU A 43 -10.359 7.929 -0.578 1.00 0.00 C ATOM 705 C GLU A 43 -11.415 8.213 -1.657 1.00 0.00 C ATOM 706 O GLU A 43 -12.594 7.890 -1.440 1.00 0.00 O ATOM 707 CB GLU A 43 -9.839 9.240 0.028 1.00 0.00 C ATOM 708 CG GLU A 43 -10.608 10.123 0.826 1.00 0.00 C ATOM 709 CD GLU A 43 -11.870 10.669 0.228 1.00 0.00 C ATOM 710 OE1 GLU A 43 -11.666 11.250 -0.860 1.00 0.00 O ATOM 711 OE2 GLU A 43 -12.969 10.577 0.747 1.00 0.00 O ATOM 0 H GLU A 43 -8.334 7.756 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.827 7.314 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.972 8.969 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.473 9.834 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.869 9.603 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.974 10.965 1.103 1.00 0.00 H new ATOM 718 N ARG A 44 -10.920 8.189 -2.905 1.00 0.00 N ATOM 719 CA ARG A 44 -11.776 8.435 -4.053 1.00 0.00 C ATOM 720 C ARG A 44 -12.305 7.125 -4.632 1.00 0.00 C ATOM 721 O ARG A 44 -13.287 7.123 -5.380 1.00 0.00 O ATOM 722 CB ARG A 44 -11.050 9.227 -5.149 1.00 0.00 C ATOM 723 CG ARG A 44 -11.928 10.219 -5.898 1.00 0.00 C ATOM 724 CD ARG A 44 -11.484 10.390 -7.312 1.00 0.00 C ATOM 725 NE ARG A 44 -11.344 11.792 -7.677 1.00 0.00 N ATOM 726 CZ ARG A 44 -11.547 12.251 -8.913 1.00 0.00 C ATOM 727 NH1 ARG A 44 -12.078 11.484 -9.861 1.00 0.00 N ATOM 728 NH2 ARG A 44 -11.262 13.524 -9.189 1.00 0.00 N ATOM 0 H ARG A 44 -9.943 8.003 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.615 9.034 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.217 9.767 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.624 8.525 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.962 9.875 -5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.904 11.183 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.531 9.882 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.203 9.913 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.077 12.457 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.340 10.521 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.223 11.859 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.894 14.134 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.412 13.888 -10.130 1.00 0.00 H new ATOM 742 N PHE A 45 -11.761 6.006 -4.156 1.00 0.00 N ATOM 743 CA PHE A 45 -12.502 4.741 -4.165 1.00 0.00 C ATOM 744 C PHE A 45 -13.726 4.884 -3.238 1.00 0.00 C ATOM 745 O PHE A 45 -14.855 4.713 -3.691 1.00 0.00 O ATOM 746 CB PHE A 45 -11.703 3.513 -3.712 1.00 0.00 C ATOM 747 CG PHE A 45 -11.440 2.515 -4.807 1.00 0.00 C ATOM 748 CD1 PHE A 45 -12.342 2.293 -5.863 1.00 0.00 C ATOM 749 CD2 PHE A 45 -10.485 1.524 -4.531 1.00 0.00 C ATOM 750 CE1 PHE A 45 -12.023 1.357 -6.855 1.00 0.00 C ATOM 751 CE2 PHE A 45 -10.247 0.498 -5.430 1.00 0.00 C ATOM 752 CZ PHE A 45 -10.954 0.468 -6.636 1.00 0.00 C ATOM 0 H PHE A 45 -10.822 5.947 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.770 4.562 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.750 3.844 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.244 3.018 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.272 2.839 -5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.929 1.562 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.589 1.318 -7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.523 -0.271 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 45 -10.679 -0.241 -7.403 1.00 0.00 H new ATOM 762 N ALA A 46 -13.444 4.873 -1.937 1.00 0.00 N ATOM 763 CA ALA A 46 -14.450 4.484 -0.944 1.00 0.00 C ATOM 764 C ALA A 46 -13.955 4.806 0.462 1.00 0.00 C ATOM 765 O ALA A 46 -14.431 4.228 1.442 1.00 0.00 O ATOM 766 CB ALA A 46 -14.754 2.995 -1.089 1.00 0.00 C ATOM 0 H ALA A 46 -12.537 5.126 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.367 5.048 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.502 2.703 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.135 2.797 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.842 2.420 -0.928 1.00 0.00 H new ATOM 772 N VAL A 47 -12.856 5.546 0.522 1.00 0.00 N ATOM 773 CA VAL A 47 -12.049 5.645 1.734 1.00 0.00 C ATOM 774 C VAL A 47 -12.045 7.081 2.242 1.00 0.00 C ATOM 775 O VAL A 47 -12.446 8.002 1.525 1.00 0.00 O ATOM 776 CB VAL A 47 -10.640 5.071 1.482 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.850 4.879 2.770 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.691 3.780 0.679 1.00 0.00 C ATOM 0 H VAL A 47 -12.499 6.092 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.486 5.040 2.528 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.111 5.815 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.866 4.473 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.736 5.839 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.382 4.188 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.678 3.408 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.271 3.035 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.160 3.970 -0.286 1.00 0.00 H new ATOM 788 N ASN A 48 -11.831 7.232 3.547 1.00 0.00 N ATOM 789 CA ASN A 48 -11.596 8.546 4.126 1.00 0.00 C ATOM 790 C ASN A 48 -10.071 8.779 4.267 1.00 0.00 C ATOM 791 O ASN A 48 -9.293 7.817 4.402 1.00 0.00 O ATOM 792 CB ASN A 48 -12.372 8.765 5.411 1.00 0.00 C ATOM 793 CG ASN A 48 -12.056 10.082 6.099 1.00 0.00 C ATOM 794 OD1 ASN A 48 -10.893 10.363 6.424 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.098 10.860 6.387 1.00 0.00 N ATOM 0 H ASN A 48 -11.816 6.464 4.218 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.986 9.307 3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.439 8.727 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.158 7.946 6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.958 11.732 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.036 10.584 6.097 1.00 0.00 H new ATOM 802 N PRO A 49 -9.655 9.980 3.808 1.00 0.00 N ATOM 803 CA PRO A 49 -8.224 10.317 3.593 1.00 0.00 C ATOM 804 C PRO A 49 -7.417 10.387 4.889 1.00 0.00 C ATOM 805 O PRO A 49 -6.529 9.568 5.124 1.00 0.00 O ATOM 806 CB PRO A 49 -8.227 11.646 2.836 1.00 0.00 C ATOM 807 CG PRO A 49 -9.555 12.307 3.081 1.00 0.00 C ATOM 808 CD PRO A 49 -10.471 11.217 3.622 1.00 0.00 C ATOM 0 HA PRO A 49 -7.725 9.532 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.413 12.284 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.073 11.479 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.458 13.125 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.955 12.732 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.915 11.527 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.293 11.031 2.930 1.00 0.00 H new ATOM 816 N GLY A 50 -7.972 11.152 5.829 1.00 0.00 N ATOM 817 CA GLY A 50 -7.422 11.221 7.185 1.00 0.00 C ATOM 818 C GLY A 50 -7.509 9.846 7.835 1.00 0.00 C ATOM 819 O GLY A 50 -6.670 9.448 8.637 1.00 0.00 O ATOM 0 H GLY A 50 -8.798 11.731 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.385 11.555 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.974 11.951 7.777 1.00 0.00 H new ATOM 823 N LEU A 51 -8.526 9.102 7.406 1.00 0.00 N ATOM 824 CA LEU A 51 -8.706 7.718 7.837 1.00 0.00 C ATOM 825 C LEU A 51 -7.500 6.880 7.400 1.00 0.00 C ATOM 826 O LEU A 51 -6.756 6.406 8.283 1.00 0.00 O ATOM 827 CB LEU A 51 -10.044 7.248 7.243 1.00 0.00 C ATOM 828 CG LEU A 51 -10.889 6.295 8.056 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.134 5.865 7.288 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.060 5.071 8.427 1.00 0.00 C ATOM 0 H LEU A 51 -9.240 9.436 6.758 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.751 7.612 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.646 8.133 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.835 6.773 6.285 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.214 6.810 8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.721 5.180 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.735 6.742 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.838 5.365 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.669 4.383 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.721 4.572 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.196 5.381 9.014 1.00 0.00 H new ATOM 842 N LEU A 52 -6.986 7.255 6.218 1.00 0.00 N ATOM 843 CA LEU A 52 -5.836 6.543 5.656 1.00 0.00 C ATOM 844 C LEU A 52 -4.540 7.184 6.123 1.00 0.00 C ATOM 845 O LEU A 52 -3.517 6.501 6.248 1.00 0.00 O ATOM 846 CB LEU A 52 -6.042 6.425 4.151 1.00 0.00 C ATOM 847 CG LEU A 52 -4.982 6.881 3.180 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.772 8.387 3.230 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.673 6.151 3.454 1.00 0.00 C ATOM 0 H LEU A 52 -7.338 8.025 5.649 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.753 5.520 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.238 5.374 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.952 6.974 3.910 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.327 6.637 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.000 8.671 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.704 8.893 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.461 8.678 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.914 6.487 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.343 6.365 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.824 5.078 3.340 1.00 0.00 H new ATOM 861 N GLU A 53 -4.648 8.418 6.607 1.00 0.00 N ATOM 862 CA GLU A 53 -3.515 9.118 7.191 1.00 0.00 C ATOM 863 C GLU A 53 -3.028 8.393 8.442 1.00 0.00 C ATOM 864 O GLU A 53 -1.832 8.339 8.719 1.00 0.00 O ATOM 865 CB GLU A 53 -3.961 10.549 7.517 1.00 0.00 C ATOM 866 CG GLU A 53 -3.361 11.376 8.502 1.00 0.00 C ATOM 867 CD GLU A 53 -3.509 10.952 9.933 1.00 0.00 C ATOM 868 OE1 GLU A 53 -4.544 11.039 10.570 1.00 0.00 O ATOM 869 OE2 GLU A 53 -2.436 10.522 10.411 1.00 0.00 O ATOM 0 H GLU A 53 -5.516 8.954 6.605 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.681 9.144 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.901 11.104 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.016 10.483 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.297 11.449 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.777 12.378 8.401 1.00 0.00 H new ATOM 876 N THR A 54 -3.985 7.933 9.244 1.00 0.00 N ATOM 877 CA THR A 54 -3.680 7.035 10.348 1.00 0.00 C ATOM 878 C THR A 54 -3.278 5.661 9.815 1.00 0.00 C ATOM 879 O THR A 54 -3.810 5.207 8.798 1.00 0.00 O ATOM 880 CB THR A 54 -4.883 6.919 11.369 1.00 0.00 C ATOM 881 OG1 THR A 54 -5.882 6.055 10.758 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.457 8.268 11.808 1.00 0.00 C ATOM 0 H THR A 54 -4.973 8.168 9.149 1.00 0.00 H new ATOM 0 HA THR A 54 -2.839 7.458 10.898 1.00 0.00 H new ATOM 0 HB THR A 54 -4.522 6.486 12.302 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.226 6.478 9.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.277 8.104 12.507 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.677 8.854 12.294 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.826 8.808 10.936 1.00 0.00 H new ATOM 890 N SER A 55 -2.601 4.899 10.669 1.00 0.00 N ATOM 891 CA SER A 55 -2.399 3.475 10.468 1.00 0.00 C ATOM 892 C SER A 55 -3.730 2.747 10.329 1.00 0.00 C ATOM 893 O SER A 55 -3.966 2.018 9.363 1.00 0.00 O ATOM 894 CB SER A 55 -1.564 2.873 11.600 1.00 0.00 C ATOM 895 OG SER A 55 -2.346 2.667 12.761 1.00 0.00 O ATOM 0 H SER A 55 -2.176 5.258 11.524 1.00 0.00 H new ATOM 0 HA SER A 55 -1.847 3.346 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.136 1.925 11.274 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.731 3.536 11.833 1.00 0.00 H new ATOM 0 HG SER A 55 -1.787 2.280 13.467 1.00 0.00 H new ATOM 901 N GLU A 56 -4.670 3.110 11.199 1.00 0.00 N ATOM 902 CA GLU A 56 -5.865 2.304 11.400 1.00 0.00 C ATOM 903 C GLU A 56 -6.674 2.215 10.110 1.00 0.00 C ATOM 904 O GLU A 56 -7.030 1.126 9.663 1.00 0.00 O ATOM 905 CB GLU A 56 -6.678 2.968 12.521 1.00 0.00 C ATOM 906 CG GLU A 56 -7.435 2.267 13.494 1.00 0.00 C ATOM 907 CD GLU A 56 -8.922 2.460 13.474 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.472 1.796 12.569 1.00 0.00 O ATOM 909 OE2 GLU A 56 -9.540 3.096 14.311 1.00 0.00 O ATOM 0 H GLU A 56 -4.625 3.953 11.772 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.603 1.284 11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.974 3.587 13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.376 3.644 12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.231 1.203 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.070 2.557 14.479 1.00 0.00 H new ATOM 916 N GLY A 57 -6.791 3.355 9.437 1.00 0.00 N ATOM 917 CA GLY A 57 -7.554 3.439 8.202 1.00 0.00 C ATOM 918 C GLY A 57 -6.754 2.843 7.042 1.00 0.00 C ATOM 919 O GLY A 57 -7.207 1.885 6.408 1.00 0.00 O ATOM 0 H GLY A 57 -6.365 4.234 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.498 2.906 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.798 4.479 7.988 1.00 0.00 H new ATOM 923 N CYS A 58 -5.459 3.150 7.049 1.00 0.00 N ATOM 924 CA CYS A 58 -4.510 2.529 6.138 1.00 0.00 C ATOM 925 C CYS A 58 -4.491 1.011 6.342 1.00 0.00 C ATOM 926 O CYS A 58 -4.357 0.267 5.363 1.00 0.00 O ATOM 927 CB CYS A 58 -3.114 3.124 6.311 1.00 0.00 C ATOM 928 SG CYS A 58 -2.154 3.257 4.785 1.00 0.00 S ATOM 0 H CYS A 58 -5.043 3.832 7.683 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.831 2.733 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.209 4.116 6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.558 2.512 7.021 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.203 4.129 4.945 1.00 0.00 H new ATOM 933 N ARG A 59 -5.123 0.604 7.448 1.00 0.00 N ATOM 934 CA ARG A 59 -5.192 -0.811 7.796 1.00 0.00 C ATOM 935 C ARG A 59 -6.559 -1.377 7.427 1.00 0.00 C ATOM 936 O ARG A 59 -6.696 -2.558 7.120 1.00 0.00 O ATOM 937 CB ARG A 59 -4.934 -1.033 9.293 1.00 0.00 C ATOM 938 CG ARG A 59 -3.876 -2.078 9.608 1.00 0.00 C ATOM 939 CD ARG A 59 -4.483 -3.341 10.121 1.00 0.00 C ATOM 940 NE ARG A 59 -5.274 -3.119 11.323 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.608 -3.059 11.320 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.299 -3.003 10.186 1.00 0.00 N ATOM 943 NH2 ARG A 59 -7.258 -3.000 12.483 1.00 0.00 N ATOM 0 H ARG A 59 -5.587 1.229 8.107 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.416 -1.329 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.634 -0.085 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.869 -1.328 9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.297 -2.291 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.182 -1.681 10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.114 -3.780 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.694 -4.062 10.335 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.785 -3.004 12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.811 -3.005 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.318 -2.958 10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.736 -3.001 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.277 -2.954 12.496 1.00 0.00 H new ATOM 957 N GLN A 60 -7.587 -0.550 7.636 1.00 0.00 N ATOM 958 CA GLN A 60 -8.928 -0.892 7.164 1.00 0.00 C ATOM 959 C GLN A 60 -8.925 -0.966 5.632 1.00 0.00 C ATOM 960 O GLN A 60 -9.452 -1.941 5.076 1.00 0.00 O ATOM 961 CB GLN A 60 -9.996 0.077 7.665 1.00 0.00 C ATOM 962 CG GLN A 60 -11.395 -0.240 7.172 1.00 0.00 C ATOM 963 CD GLN A 60 -11.959 -1.505 7.772 1.00 0.00 C ATOM 964 OE1 GLN A 60 -11.486 -2.012 8.785 1.00 0.00 O ATOM 965 NE2 GLN A 60 -13.049 -1.978 7.171 1.00 0.00 N ATOM 0 H GLN A 60 -7.518 0.345 8.120 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.189 -1.866 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.996 0.071 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.731 1.087 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.056 0.594 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.379 -0.335 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.406 -1.523 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.527 -2.795 7.551 1.00 0.00 H new ATOM 974 N ILE A 61 -7.935 -0.276 5.060 1.00 0.00 N ATOM 975 CA ILE A 61 -7.676 -0.356 3.632 1.00 0.00 C ATOM 976 C ILE A 61 -6.833 -1.578 3.304 1.00 0.00 C ATOM 977 O ILE A 61 -7.338 -2.559 2.754 1.00 0.00 O ATOM 978 CB ILE A 61 -7.062 0.981 3.093 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.021 2.166 3.351 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.619 0.884 1.614 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.519 1.915 3.068 1.00 0.00 C ATOM 0 H ILE A 61 -7.303 0.342 5.569 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.624 -0.485 3.110 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.147 1.170 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.917 2.469 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.695 3.008 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.202 1.839 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.863 0.106 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.480 0.639 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.087 2.819 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.651 1.648 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.877 1.100 3.698 1.00 0.00 H new ATOM 993 N LEU A 62 -5.620 -1.618 3.857 1.00 0.00 N ATOM 994 CA LEU A 62 -4.621 -2.571 3.393 1.00 0.00 C ATOM 995 C LEU A 62 -5.113 -4.006 3.641 1.00 0.00 C ATOM 996 O LEU A 62 -4.914 -4.866 2.772 1.00 0.00 O ATOM 997 CB LEU A 62 -3.287 -2.256 4.070 1.00 0.00 C ATOM 998 CG LEU A 62 -2.024 -2.752 3.382 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.852 -2.108 2.014 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.824 -2.427 4.266 1.00 0.00 C ATOM 0 H LEU A 62 -5.312 -1.010 4.616 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.466 -2.486 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.210 -1.174 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.311 -2.676 5.076 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.102 -3.829 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.941 -2.482 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.708 -2.353 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.783 -1.026 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.089 -2.778 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.764 -1.349 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.938 -2.922 5.231 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.144 -4.085 4.486 1.00 0.00 N ATOM 1013 CA GLY A 63 -6.872 -5.325 4.700 1.00 0.00 C ATOM 1014 C GLY A 63 -7.904 -5.544 3.600 1.00 0.00 C ATOM 1015 O GLY A 63 -7.950 -6.603 2.976 1.00 0.00 O ATOM 0 H GLY A 63 -6.490 -3.297 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.174 -6.162 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.368 -5.298 5.670 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.806 -4.580 3.465 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.878 -4.649 2.490 1.00 0.00 C ATOM 1021 C GLN A 64 -9.318 -4.708 1.068 1.00 0.00 C ATOM 1022 O GLN A 64 -10.078 -4.870 0.108 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.877 -3.493 2.627 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.325 -3.923 2.524 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.150 -3.521 3.722 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -13.103 -2.389 4.195 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.891 -4.493 4.250 1.00 0.00 N ATOM 0 H GLN A 64 -8.812 -3.731 4.030 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.426 -5.569 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.721 -3.002 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.671 -2.753 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.764 -3.488 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.369 -5.006 2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.898 -5.419 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.451 -4.312 5.083 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.054 -4.325 0.926 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.520 -3.861 -0.354 1.00 0.00 C ATOM 1038 C LEU A 65 -6.669 -4.960 -0.988 1.00 0.00 C ATOM 1039 O LEU A 65 -6.921 -5.360 -2.125 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.754 -2.558 -0.099 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.490 -1.657 -1.295 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.736 -0.889 -1.704 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.364 -0.693 -0.928 1.00 0.00 C ATOM 0 H LEU A 65 -7.374 -4.326 1.686 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.312 -3.647 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.308 -1.981 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.794 -2.814 0.349 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.201 -2.270 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.508 -0.256 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.525 -1.592 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.070 -0.268 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.158 -0.036 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.663 -0.094 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.466 -1.259 -0.681 1.00 0.00 H new ATOM 1055 N GLN A 66 -5.952 -5.685 -0.121 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.032 -6.712 -0.578 1.00 0.00 C ATOM 1057 C GLN A 66 -5.807 -7.806 -1.357 1.00 0.00 C ATOM 1058 O GLN A 66 -5.709 -7.870 -2.599 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.222 -7.345 0.550 1.00 0.00 C ATOM 1060 CG GLN A 66 -2.727 -7.365 0.296 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.177 -8.757 0.095 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -0.987 -9.012 0.291 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.979 -9.588 -0.572 1.00 0.00 N ATOM 0 H GLN A 66 -5.996 -5.575 0.892 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.315 -6.220 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.416 -6.800 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.568 -8.367 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.507 -6.763 -0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.216 -6.897 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.959 -9.345 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.612 -10.467 -0.938 1.00 0.00 H new ATOM 1072 N PRO A 67 -6.843 -8.351 -0.685 1.00 0.00 N ATOM 1073 CA PRO A 67 -7.942 -9.089 -1.366 1.00 0.00 C ATOM 1074 C PRO A 67 -8.503 -8.352 -2.579 1.00 0.00 C ATOM 1075 O PRO A 67 -8.492 -8.857 -3.701 1.00 0.00 O ATOM 1076 CB PRO A 67 -8.994 -9.374 -0.304 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.419 -9.036 1.041 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.184 -8.193 0.759 1.00 0.00 C ATOM 0 HA PRO A 67 -7.565 -10.020 -1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.891 -8.783 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.290 -10.422 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.138 -8.486 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.159 -9.939 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.375 -7.146 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.352 -8.514 1.385 1.00 0.00 H new ATOM 1086 N SER A 68 -8.903 -7.105 -2.345 1.00 0.00 N ATOM 1087 CA SER A 68 -9.706 -6.370 -3.305 1.00 0.00 C ATOM 1088 C SER A 68 -8.872 -5.879 -4.479 1.00 0.00 C ATOM 1089 O SER A 68 -9.410 -5.328 -5.441 1.00 0.00 O ATOM 1090 CB SER A 68 -10.456 -5.216 -2.643 1.00 0.00 C ATOM 1091 OG SER A 68 -11.391 -4.632 -3.531 1.00 0.00 O ATOM 0 H SER A 68 -8.681 -6.586 -1.496 1.00 0.00 H new ATOM 0 HA SER A 68 -10.448 -7.065 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.973 -5.578 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.744 -4.460 -2.312 1.00 0.00 H new ATOM 0 HG SER A 68 -11.103 -4.783 -4.455 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.597 -6.246 -4.472 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.688 -5.905 -5.556 1.00 0.00 C ATOM 1099 C LEU A 69 -6.930 -6.833 -6.750 1.00 0.00 C ATOM 1100 O LEU A 69 -7.173 -6.339 -7.860 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.253 -5.987 -5.005 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.851 -4.928 -3.995 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.489 -5.227 -3.386 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.825 -3.572 -4.695 1.00 0.00 C ATOM 0 H LEU A 69 -7.167 -6.785 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.857 -4.892 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.121 -6.966 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.562 -5.935 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.577 -4.921 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.233 -4.448 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.521 -6.192 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.736 -5.255 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.538 -2.800 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.104 -3.598 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.815 -3.349 -5.092 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.352 -8.055 -6.416 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.798 -9.017 -7.411 1.00 0.00 C ATOM 1118 C GLN A 70 -8.986 -8.462 -8.196 1.00 0.00 C ATOM 1119 O GLN A 70 -9.381 -9.019 -9.216 1.00 0.00 O ATOM 1120 CB GLN A 70 -8.130 -10.386 -6.814 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.366 -10.395 -5.937 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.251 -11.335 -4.762 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -8.421 -12.239 -4.730 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.151 -11.148 -3.798 1.00 0.00 N ATOM 0 H GLN A 70 -7.392 -8.397 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.962 -9.175 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.268 -11.101 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.279 -10.731 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.551 -9.385 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.229 -10.679 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.822 -10.383 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.170 -11.770 -2.990 1.00 0.00 H new ATOM 1133 N THR A 71 -9.605 -7.427 -7.635 1.00 0.00 N ATOM 1134 CA THR A 71 -10.929 -6.999 -8.085 1.00 0.00 C ATOM 1135 C THR A 71 -11.080 -5.489 -7.919 1.00 0.00 C ATOM 1136 O THR A 71 -12.172 -4.947 -8.119 1.00 0.00 O ATOM 1137 CB THR A 71 -12.073 -7.784 -7.322 1.00 0.00 C ATOM 1138 OG1 THR A 71 -13.339 -7.350 -7.883 1.00 0.00 O ATOM 1139 CG2 THR A 71 -12.006 -7.661 -5.801 1.00 0.00 C ATOM 0 H THR A 71 -9.216 -6.872 -6.873 1.00 0.00 H new ATOM 0 HA THR A 71 -11.028 -7.236 -9.144 1.00 0.00 H new ATOM 0 HB THR A 71 -11.943 -8.855 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.279 -6.404 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.823 -8.227 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.054 -8.056 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.092 -6.612 -5.517 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.931 -4.815 -7.931 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.874 -3.368 -8.063 1.00 0.00 C ATOM 1149 C GLY A 72 -9.257 -2.989 -9.405 1.00 0.00 C ATOM 1150 O GLY A 72 -9.963 -2.780 -10.391 1.00 0.00 O ATOM 0 H GLY A 72 -9.017 -5.260 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.877 -2.948 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.285 -2.944 -7.250 1.00 0.00 H new ATOM 1154 N SER A 73 -7.930 -3.059 -9.462 1.00 0.00 N ATOM 1155 CA SER A 73 -7.202 -2.985 -10.721 1.00 0.00 C ATOM 1156 C SER A 73 -5.691 -3.050 -10.449 1.00 0.00 C ATOM 1157 O SER A 73 -5.278 -3.010 -9.288 1.00 0.00 O ATOM 1158 CB SER A 73 -7.549 -1.729 -11.510 1.00 0.00 C ATOM 1159 OG SER A 73 -7.615 -0.594 -10.662 1.00 0.00 O ATOM 0 H SER A 73 -7.334 -3.168 -8.641 1.00 0.00 H new ATOM 0 HA SER A 73 -7.500 -3.838 -11.331 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.800 -1.564 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.505 -1.866 -12.015 1.00 0.00 H new ATOM 0 HG SER A 73 -8.337 -0.003 -10.962 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.918 -2.799 -11.500 1.00 0.00 N ATOM 1166 CA GLU A 74 -3.532 -2.356 -11.358 1.00 0.00 C ATOM 1167 C GLU A 74 -3.484 -0.889 -10.952 1.00 0.00 C ATOM 1168 O GLU A 74 -2.439 -0.367 -10.565 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.840 -2.587 -12.708 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.987 -1.750 -13.843 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.742 -1.401 -14.603 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.643 -1.264 -14.093 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.961 -1.247 -15.824 1.00 0.00 O ATOM 0 H GLU A 74 -5.229 -2.895 -12.467 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.020 -2.917 -10.576 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.771 -2.622 -12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.134 -3.586 -13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.679 -2.234 -14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.457 -0.821 -13.519 1.00 0.00 H new ATOM 1180 N GLU A 75 -4.602 -0.199 -11.159 1.00 0.00 N ATOM 1181 CA GLU A 75 -4.792 1.127 -10.578 1.00 0.00 C ATOM 1182 C GLU A 75 -4.789 1.033 -9.053 1.00 0.00 C ATOM 1183 O GLU A 75 -3.987 1.707 -8.397 1.00 0.00 O ATOM 1184 CB GLU A 75 -6.088 1.703 -11.133 1.00 0.00 C ATOM 1185 CG GLU A 75 -7.093 2.383 -10.398 1.00 0.00 C ATOM 1186 CD GLU A 75 -8.246 2.949 -11.173 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -7.894 3.877 -11.933 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -9.392 2.546 -11.087 1.00 0.00 O ATOM 0 H GLU A 75 -5.385 -0.533 -11.721 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.976 1.798 -10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.787 2.392 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.595 0.868 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.492 1.693 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.619 3.200 -9.854 1.00 0.00 H new ATOM 1195 N LEU A 76 -5.370 -0.071 -8.561 1.00 0.00 N ATOM 1196 CA LEU A 76 -5.317 -0.390 -7.149 1.00 0.00 C ATOM 1197 C LEU A 76 -3.917 -0.872 -6.756 1.00 0.00 C ATOM 1198 O LEU A 76 -3.631 -0.977 -5.555 1.00 0.00 O ATOM 1199 CB LEU A 76 -6.426 -1.385 -6.795 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.307 -1.066 -5.601 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -8.185 -2.255 -5.228 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.446 -0.676 -4.403 1.00 0.00 C ATOM 0 H LEU A 76 -5.878 -0.749 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.502 0.509 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.070 -1.493 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.962 -2.356 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.953 -0.232 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.804 -1.995 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.825 -2.514 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.555 -3.108 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.088 -0.449 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.783 -1.502 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.851 0.203 -4.653 1.00 0.00 H new ATOM 1214 N ARG A 77 -3.268 -1.531 -7.711 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.995 -2.197 -7.444 1.00 0.00 C ATOM 1216 C ARG A 77 -0.943 -1.153 -7.064 1.00 0.00 C ATOM 1217 O ARG A 77 -0.386 -1.217 -5.959 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.553 -3.086 -8.590 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.778 -2.461 -9.732 1.00 0.00 C ATOM 1220 CD ARG A 77 0.633 -2.964 -9.775 1.00 0.00 C ATOM 1221 NE ARG A 77 1.251 -2.952 -8.458 1.00 0.00 N ATOM 1222 CZ ARG A 77 1.408 -4.048 -7.712 1.00 0.00 C ATOM 1223 NH1 ARG A 77 0.833 -5.201 -8.041 1.00 0.00 N ATOM 1224 NH2 ARG A 77 2.102 -3.969 -6.576 1.00 0.00 N ATOM 0 H ARG A 77 -3.599 -1.619 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.127 -2.873 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.941 -3.886 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.444 -3.553 -9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.275 -2.685 -10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.776 -1.377 -9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.645 -3.979 -10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.218 -2.347 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 77 1.581 -2.061 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.256 -5.262 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.969 -6.024 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.506 -3.078 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.229 -4.799 -5.997 1.00 0.00 H new ATOM 1238 N SER A 78 -1.047 -0.003 -7.734 1.00 0.00 N ATOM 1239 CA SER A 78 -0.288 1.182 -7.371 1.00 0.00 C ATOM 1240 C SER A 78 -0.755 1.728 -6.024 1.00 0.00 C ATOM 1241 O SER A 78 0.026 1.770 -5.067 1.00 0.00 O ATOM 1242 CB SER A 78 -0.365 2.252 -8.454 1.00 0.00 C ATOM 1243 OG SER A 78 0.656 2.084 -9.421 1.00 0.00 O ATOM 0 H SER A 78 -1.659 0.126 -8.540 1.00 0.00 H new ATOM 0 HA SER A 78 0.758 0.891 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.339 2.210 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.278 3.239 -7.999 1.00 0.00 H new ATOM 0 HG SER A 78 0.579 2.784 -10.103 1.00 0.00 H new ATOM 1249 N LEU A 79 -2.076 1.779 -5.865 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.681 2.278 -4.640 1.00 0.00 C ATOM 1251 C LEU A 79 -2.246 1.429 -3.445 1.00 0.00 C ATOM 1252 O LEU A 79 -2.207 1.903 -2.314 1.00 0.00 O ATOM 1253 CB LEU A 79 -4.206 2.302 -4.843 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.842 3.658 -5.095 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -4.477 4.645 -3.994 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -4.361 4.177 -6.446 1.00 0.00 C ATOM 0 H LEU A 79 -2.746 1.479 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.347 3.292 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.447 1.652 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.673 1.867 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.927 3.552 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.945 5.608 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.830 4.267 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.394 4.768 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.809 5.151 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.275 4.273 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.654 3.478 -7.230 1.00 0.00 H new ATOM 1268 N TYR A 80 -2.097 0.136 -3.707 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.763 -0.828 -2.669 1.00 0.00 C ATOM 1270 C TYR A 80 -0.360 -0.559 -2.132 1.00 0.00 C ATOM 1271 O TYR A 80 -0.174 -0.351 -0.934 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.883 -2.273 -3.196 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.498 -3.333 -2.186 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.236 -3.500 -1.005 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.247 -3.949 -2.259 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -1.896 -4.511 -0.098 1.00 0.00 C ATOM 1277 CE2 TYR A 80 0.171 -4.857 -1.290 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.647 -5.122 -0.201 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.131 -5.886 0.816 1.00 0.00 O ATOM 0 H TYR A 80 -2.203 -0.270 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.475 -0.714 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.910 -2.447 -3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.252 -2.380 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.070 -2.846 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.410 -3.716 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.592 -4.813 0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.126 -5.352 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 80 0.750 -6.227 0.554 1.00 0.00 H new ATOM 1289 N ASN A 81 0.563 -0.325 -3.063 1.00 0.00 N ATOM 1290 CA ASN A 81 1.970 -0.175 -2.705 1.00 0.00 C ATOM 1291 C ASN A 81 2.170 1.110 -1.902 1.00 0.00 C ATOM 1292 O ASN A 81 2.768 1.084 -0.824 1.00 0.00 O ATOM 1293 CB ASN A 81 2.892 -0.346 -3.892 1.00 0.00 C ATOM 1294 CG ASN A 81 2.863 0.790 -4.900 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.561 1.952 -4.537 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.565 0.577 -6.023 1.00 0.00 N ATOM 0 H ASN A 81 0.364 -0.236 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 81 2.262 -0.992 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.912 -0.460 -3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.631 -1.272 -4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.862 1.367 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.802 -0.375 -6.303 1.00 0.00 H new ATOM 1303 N THR A 82 1.356 2.109 -2.242 1.00 0.00 N ATOM 1304 CA THR A 82 1.457 3.417 -1.610 1.00 0.00 C ATOM 1305 C THR A 82 0.773 3.384 -0.240 1.00 0.00 C ATOM 1306 O THR A 82 1.349 3.879 0.737 1.00 0.00 O ATOM 1307 CB THR A 82 0.846 4.562 -2.513 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.253 3.960 -3.686 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.830 5.686 -2.847 1.00 0.00 C ATOM 0 H THR A 82 0.624 2.035 -2.948 1.00 0.00 H new ATOM 0 HA THR A 82 2.515 3.646 -1.480 1.00 0.00 H new ATOM 0 HB THR A 82 0.071 5.071 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.908 3.374 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.334 6.431 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.174 6.154 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.684 5.274 -3.385 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.095 2.375 -0.103 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.847 2.213 1.151 1.00 0.00 C ATOM 1319 C ILE A 83 0.003 1.462 2.157 1.00 0.00 C ATOM 1320 O ILE A 83 0.274 1.966 3.253 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.246 1.598 0.844 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.220 2.781 0.480 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.870 0.711 1.931 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.416 3.766 1.658 1.00 0.00 C ATOM 0 H ILE A 83 -0.292 1.677 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.061 3.171 1.625 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.090 0.903 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.826 3.321 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.187 2.374 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.840 0.348 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.214 -0.137 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.999 1.291 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.096 4.563 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.837 3.234 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.454 4.196 1.937 1.00 0.00 H new ATOM 1336 N ALA A 84 0.617 0.373 1.698 1.00 0.00 N ATOM 1337 CA ALA A 84 1.390 -0.493 2.574 1.00 0.00 C ATOM 1338 C ALA A 84 2.560 0.285 3.184 1.00 0.00 C ATOM 1339 O ALA A 84 2.552 0.508 4.412 1.00 0.00 O ATOM 1340 CB ALA A 84 1.883 -1.721 1.823 1.00 0.00 C ATOM 0 H ALA A 84 0.592 0.073 0.724 1.00 0.00 H new ATOM 0 HA ALA A 84 0.745 -0.837 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.459 -2.354 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.029 -2.281 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.515 -1.409 0.991 1.00 0.00 H new ATOM 1346 N VAL A 85 3.192 1.086 2.329 1.00 0.00 N ATOM 1347 CA VAL A 85 4.213 2.033 2.774 1.00 0.00 C ATOM 1348 C VAL A 85 3.609 3.023 3.765 1.00 0.00 C ATOM 1349 O VAL A 85 4.012 3.084 4.924 1.00 0.00 O ATOM 1350 CB VAL A 85 4.902 2.675 1.557 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.786 3.866 1.914 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.692 1.649 0.755 1.00 0.00 C ATOM 0 H VAL A 85 3.016 1.099 1.324 1.00 0.00 H new ATOM 0 HA VAL A 85 5.005 1.520 3.320 1.00 0.00 H new ATOM 0 HB VAL A 85 4.093 3.061 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.239 4.268 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.182 4.638 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.570 3.545 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.165 2.138 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.459 1.204 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.019 0.870 0.398 1.00 0.00 H new ATOM 1362 N LEU A 86 2.555 3.706 3.321 1.00 0.00 N ATOM 1363 CA LEU A 86 2.013 4.829 4.067 1.00 0.00 C ATOM 1364 C LEU A 86 1.509 4.359 5.437 1.00 0.00 C ATOM 1365 O LEU A 86 1.831 5.001 6.446 1.00 0.00 O ATOM 1366 CB LEU A 86 0.938 5.515 3.220 1.00 0.00 C ATOM 1367 CG LEU A 86 0.526 6.925 3.596 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.717 7.799 3.956 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.227 7.542 2.416 1.00 0.00 C ATOM 0 H LEU A 86 2.064 3.499 2.451 1.00 0.00 H new ATOM 0 HA LEU A 86 2.786 5.570 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.288 5.534 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.046 4.889 3.243 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.110 6.870 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.369 8.798 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.244 7.364 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.393 7.862 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.531 8.558 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.423 7.566 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.111 6.943 2.195 1.00 0.00 H new ATOM 1381 N TYR A 87 1.157 3.073 5.490 1.00 0.00 N ATOM 1382 CA TYR A 87 0.926 2.389 6.751 1.00 0.00 C ATOM 1383 C TYR A 87 2.219 2.396 7.589 1.00 0.00 C ATOM 1384 O TYR A 87 2.157 2.626 8.798 1.00 0.00 O ATOM 1385 CB TYR A 87 0.414 0.955 6.561 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.039 0.305 7.874 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.892 0.049 8.887 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.387 0.387 8.237 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.486 -0.258 10.185 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.810 0.094 9.530 1.00 0.00 C ATOM 1391 CZ TYR A 87 -0.877 -0.332 10.471 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.330 -0.625 11.728 1.00 0.00 O ATOM 0 H TYR A 87 1.027 2.487 4.666 1.00 0.00 H new ATOM 0 HA TYR A 87 0.142 2.931 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.419 0.962 5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.202 0.349 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.947 0.090 8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.116 0.684 7.498 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.218 -0.436 10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.851 0.196 9.800 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.232 -0.259 11.844 1.00 0.00 H new ATOM 1402 N CYS A 88 3.222 1.721 7.036 1.00 0.00 N ATOM 1403 CA CYS A 88 4.388 1.288 7.795 1.00 0.00 C ATOM 1404 C CYS A 88 5.281 2.515 8.091 1.00 0.00 C ATOM 1405 O CYS A 88 5.680 2.655 9.268 1.00 0.00 O ATOM 1406 CB CYS A 88 5.141 0.196 7.062 1.00 0.00 C ATOM 1407 SG CYS A 88 5.391 -1.343 7.983 1.00 0.00 S ATOM 0 H CYS A 88 3.248 1.460 6.050 1.00 0.00 H new ATOM 0 HA CYS A 88 4.068 0.856 8.743 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.603 -0.036 6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.116 0.586 6.771 1.00 0.00 H new ATOM 0 HG CYS A 88 4.253 -1.956 8.121 1.00 0.00 H new ATOM 1412 N VAL A 89 5.025 3.571 7.321 1.00 0.00 N ATOM 1413 CA VAL A 89 5.309 4.943 7.734 1.00 0.00 C ATOM 1414 C VAL A 89 4.505 5.290 8.982 1.00 0.00 C ATOM 1415 O VAL A 89 5.044 5.357 10.091 1.00 0.00 O ATOM 1416 CB VAL A 89 5.074 5.915 6.560 1.00 0.00 C ATOM 1417 CG1 VAL A 89 5.633 7.307 6.833 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.617 5.361 5.252 1.00 0.00 C ATOM 0 H VAL A 89 4.614 3.498 6.390 1.00 0.00 H new ATOM 0 HA VAL A 89 6.360 5.041 8.005 1.00 0.00 H new ATOM 0 HB VAL A 89 3.993 6.016 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.441 7.951 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.151 7.726 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.708 7.241 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.432 6.075 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.690 5.191 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.119 4.419 5.021 1.00 0.00 H new ATOM 1428 N HIS A 90 3.180 5.237 8.841 1.00 0.00 N ATOM 1429 CA HIS A 90 2.293 5.832 9.831 1.00 0.00 C ATOM 1430 C HIS A 90 2.482 5.156 11.190 1.00 0.00 C ATOM 1431 O HIS A 90 2.123 5.718 12.224 1.00 0.00 O ATOM 1432 CB HIS A 90 0.792 5.757 9.458 1.00 0.00 C ATOM 1433 CG HIS A 90 0.435 6.598 8.270 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.892 7.872 8.058 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.470 6.355 7.287 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.340 8.350 6.952 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.563 7.492 6.529 1.00 0.00 N ATOM 0 H HIS A 90 2.704 4.791 8.057 1.00 0.00 H new ATOM 0 HA HIS A 90 2.570 6.885 9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.527 4.720 9.253 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.196 6.076 10.313 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.551 8.372 8.655 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.015 5.436 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.590 9.287 6.477 1.00 0.00 H new ATOM 1446 N GLN A 91 2.762 3.857 11.132 1.00 0.00 N ATOM 1447 CA GLN A 91 2.963 3.062 12.333 1.00 0.00 C ATOM 1448 C GLN A 91 4.152 3.603 13.132 1.00 0.00 C ATOM 1449 O GLN A 91 4.079 3.775 14.346 1.00 0.00 O ATOM 1450 CB GLN A 91 3.157 1.573 12.026 1.00 0.00 C ATOM 1451 CG GLN A 91 2.975 0.671 13.229 1.00 0.00 C ATOM 1452 CD GLN A 91 4.251 0.468 14.017 1.00 0.00 C ATOM 1453 OE1 GLN A 91 4.545 1.216 14.953 1.00 0.00 O ATOM 1454 NE2 GLN A 91 4.791 -0.747 13.890 1.00 0.00 N ATOM 0 H GLN A 91 2.854 3.334 10.261 1.00 0.00 H new ATOM 0 HA GLN A 91 2.056 3.147 12.931 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.450 1.276 11.251 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.157 1.423 11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.215 1.097 13.884 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.602 -0.298 12.896 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.528 -1.343 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.467 -1.079 14.578 1.00 0.00 H new ATOM 1463 N ARG A 92 5.308 3.570 12.476 1.00 0.00 N ATOM 1464 CA ARG A 92 6.602 3.695 13.120 1.00 0.00 C ATOM 1465 C ARG A 92 7.690 3.314 12.088 1.00 0.00 C ATOM 1466 O ARG A 92 8.863 3.608 12.314 1.00 0.00 O ATOM 1467 CB ARG A 92 6.766 2.812 14.355 1.00 0.00 C ATOM 1468 CG ARG A 92 8.141 2.870 15.014 1.00 0.00 C ATOM 1469 CD ARG A 92 8.069 2.517 16.460 1.00 0.00 C ATOM 1470 NE ARG A 92 7.564 1.168 16.672 1.00 0.00 N ATOM 1471 CZ ARG A 92 7.072 0.746 17.839 1.00 0.00 C ATOM 1472 NH1 ARG A 92 6.823 1.591 18.835 1.00 0.00 N ATOM 1473 NH2 ARG A 92 6.774 -0.545 17.991 1.00 0.00 N ATOM 0 H ARG A 92 5.368 3.453 11.464 1.00 0.00 H new ATOM 0 HA ARG A 92 6.694 4.726 13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.015 3.100 15.091 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.558 1.779 14.075 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.819 2.185 14.505 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.557 3.871 14.903 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.061 2.606 16.904 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.424 3.230 16.975 1.00 0.00 H new ATOM 0 HE ARG A 92 7.587 0.513 15.890 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.008 2.587 18.717 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.447 1.243 19.717 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.923 -1.197 17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.397 -0.881 18.878 1.00 0.00 H new ATOM 1487 N ILE A 93 7.343 2.282 11.317 1.00 0.00 N ATOM 1488 CA ILE A 93 8.285 1.681 10.383 1.00 0.00 C ATOM 1489 C ILE A 93 8.726 2.705 9.343 1.00 0.00 C ATOM 1490 O ILE A 93 8.052 3.706 9.110 1.00 0.00 O ATOM 1491 CB ILE A 93 7.649 0.406 9.714 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.227 -0.596 10.823 1.00 0.00 C ATOM 1493 CG2 ILE A 93 8.556 -0.242 8.651 1.00 0.00 C ATOM 1494 CD1 ILE A 93 5.739 -0.481 11.241 1.00 0.00 C ATOM 0 H ILE A 93 6.419 1.849 11.324 1.00 0.00 H new ATOM 0 HA ILE A 93 9.174 1.361 10.927 1.00 0.00 H new ATOM 0 HB ILE A 93 6.763 0.720 9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.419 -1.611 10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.854 -0.437 11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.057 -1.115 8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.758 0.478 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.495 -0.548 9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.522 -1.213 12.019 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.545 0.522 11.622 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.103 -0.671 10.377 1.00 0.00 H new ATOM 1506 N ASP A 94 9.911 2.482 8.776 1.00 0.00 N ATOM 1507 CA ASP A 94 10.271 3.134 7.519 1.00 0.00 C ATOM 1508 C ASP A 94 10.971 2.146 6.591 1.00 0.00 C ATOM 1509 O ASP A 94 11.534 1.149 7.036 1.00 0.00 O ATOM 1510 CB ASP A 94 11.031 4.433 7.744 1.00 0.00 C ATOM 1511 CG ASP A 94 10.267 5.448 8.573 1.00 0.00 C ATOM 1512 OD1 ASP A 94 9.171 5.830 8.109 1.00 0.00 O ATOM 1513 OD2 ASP A 94 10.740 5.887 9.632 1.00 0.00 O ATOM 0 H ASP A 94 10.627 1.865 9.160 1.00 0.00 H new ATOM 0 HA ASP A 94 9.359 3.442 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.976 4.210 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.273 4.874 6.777 1.00 0.00 H new ATOM 1518 N VAL A 95 10.826 2.389 5.292 1.00 0.00 N ATOM 1519 CA VAL A 95 11.175 1.393 4.283 1.00 0.00 C ATOM 1520 C VAL A 95 12.186 1.976 3.300 1.00 0.00 C ATOM 1521 O VAL A 95 12.833 2.983 3.586 1.00 0.00 O ATOM 1522 CB VAL A 95 9.898 0.821 3.640 1.00 0.00 C ATOM 1523 CG1 VAL A 95 8.856 0.414 4.684 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.286 1.767 2.625 1.00 0.00 C ATOM 0 H VAL A 95 10.470 3.266 4.913 1.00 0.00 H new ATOM 0 HA VAL A 95 11.675 0.539 4.740 1.00 0.00 H new ATOM 0 HB VAL A 95 10.213 -0.078 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.974 0.017 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.276 -0.350 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.575 1.285 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.389 1.316 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.024 2.705 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.005 1.961 1.829 1.00 0.00 H new ATOM 1534 N LYS A 96 12.478 1.191 2.265 1.00 0.00 N ATOM 1535 CA LYS A 96 13.451 1.582 1.258 1.00 0.00 C ATOM 1536 C LYS A 96 12.769 1.793 -0.090 1.00 0.00 C ATOM 1537 O LYS A 96 12.824 2.876 -0.670 1.00 0.00 O ATOM 1538 CB LYS A 96 14.556 0.534 1.095 1.00 0.00 C ATOM 1539 CG LYS A 96 15.857 1.089 0.516 1.00 0.00 C ATOM 1540 CD LYS A 96 16.492 2.153 1.393 1.00 0.00 C ATOM 1541 CE LYS A 96 17.886 2.482 1.055 1.00 0.00 C ATOM 1542 NZ LYS A 96 18.110 3.950 1.043 1.00 0.00 N ATOM 0 H LYS A 96 12.051 0.279 2.105 1.00 0.00 H new ATOM 0 HA LYS A 96 13.903 2.514 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.764 0.086 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.193 -0.264 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.564 0.271 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.659 1.510 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.893 3.062 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.454 1.819 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.556 2.016 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.132 2.067 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.102 4.148 0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.487 4.390 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.898 4.341 1.983 1.00 0.00 H new ATOM 1556 N ASP A 97 12.145 0.722 -0.572 1.00 0.00 N ATOM 1557 CA ASP A 97 11.507 0.743 -1.886 1.00 0.00 C ATOM 1558 C ASP A 97 10.047 0.314 -1.763 1.00 0.00 C ATOM 1559 O ASP A 97 9.590 -0.033 -0.672 1.00 0.00 O ATOM 1560 CB ASP A 97 12.329 -0.022 -2.912 1.00 0.00 C ATOM 1561 CG ASP A 97 12.120 -1.526 -2.891 1.00 0.00 C ATOM 1562 OD1 ASP A 97 12.790 -2.242 -2.127 1.00 0.00 O ATOM 1563 OD2 ASP A 97 11.475 -2.001 -3.855 1.00 0.00 O ATOM 0 H ASP A 97 12.067 -0.166 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 97 11.480 1.761 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.085 0.352 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.385 0.188 -2.742 1.00 0.00 H new ATOM 1568 N THR A 98 9.423 0.082 -2.913 1.00 0.00 N ATOM 1569 CA THR A 98 8.153 -0.621 -2.985 1.00 0.00 C ATOM 1570 C THR A 98 8.303 -2.038 -2.416 1.00 0.00 C ATOM 1571 O THR A 98 7.431 -2.479 -1.660 1.00 0.00 O ATOM 1572 CB THR A 98 7.598 -0.685 -4.465 1.00 0.00 C ATOM 1573 OG1 THR A 98 8.265 0.368 -5.219 1.00 0.00 O ATOM 1574 CG2 THR A 98 6.075 -0.612 -4.565 1.00 0.00 C ATOM 0 H THR A 98 9.786 0.377 -3.820 1.00 0.00 H new ATOM 0 HA THR A 98 7.432 -0.063 -2.387 1.00 0.00 H new ATOM 0 HB THR A 98 7.825 -1.663 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.947 0.359 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.776 -0.662 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.634 -1.448 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.727 0.326 -4.133 1.00 0.00 H new ATOM 1582 N LYS A 99 9.129 -2.825 -3.098 1.00 0.00 N ATOM 1583 CA LYS A 99 9.196 -4.260 -2.871 1.00 0.00 C ATOM 1584 C LYS A 99 9.605 -4.552 -1.430 1.00 0.00 C ATOM 1585 O LYS A 99 8.992 -5.387 -0.761 1.00 0.00 O ATOM 1586 CB LYS A 99 10.186 -4.943 -3.816 1.00 0.00 C ATOM 1587 CG LYS A 99 9.734 -4.967 -5.276 1.00 0.00 C ATOM 1588 CD LYS A 99 10.759 -4.378 -6.227 1.00 0.00 C ATOM 1589 CE LYS A 99 10.380 -3.088 -6.825 1.00 0.00 C ATOM 1590 NZ LYS A 99 9.793 -3.268 -8.177 1.00 0.00 N ATOM 0 H LYS A 99 9.766 -2.486 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 99 8.201 -4.659 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.146 -4.431 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.347 -5.967 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.525 -5.996 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.800 -4.413 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.700 -4.251 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.943 -5.093 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.661 -2.583 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.257 -2.444 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.537 -2.340 -8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.488 -3.728 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.942 -3.862 -8.110 1.00 0.00 H new ATOM 1604 N GLU A 100 10.387 -3.627 -0.868 1.00 0.00 N ATOM 1605 CA GLU A 100 10.963 -3.835 0.454 1.00 0.00 C ATOM 1606 C GLU A 100 10.023 -3.314 1.535 1.00 0.00 C ATOM 1607 O GLU A 100 9.961 -3.871 2.632 1.00 0.00 O ATOM 1608 CB GLU A 100 12.313 -3.111 0.491 1.00 0.00 C ATOM 1609 CG GLU A 100 13.556 -3.699 0.138 1.00 0.00 C ATOM 1610 CD GLU A 100 14.400 -4.237 1.254 1.00 0.00 C ATOM 1611 OE1 GLU A 100 14.168 -4.056 2.436 1.00 0.00 O ATOM 1612 OE2 GLU A 100 15.375 -4.897 0.834 1.00 0.00 O ATOM 0 H GLU A 100 10.631 -2.738 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 100 11.108 -4.898 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.202 -2.235 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.431 -2.747 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.359 -4.513 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.142 -2.954 -0.400 1.00 0.00 H new ATOM 1619 N ALA A 101 9.186 -2.349 1.158 1.00 0.00 N ATOM 1620 CA ALA A 101 7.995 -2.029 1.940 1.00 0.00 C ATOM 1621 C ALA A 101 6.986 -3.164 1.854 1.00 0.00 C ATOM 1622 O ALA A 101 6.730 -3.852 2.847 1.00 0.00 O ATOM 1623 CB ALA A 101 7.396 -0.700 1.517 1.00 0.00 C ATOM 0 H ALA A 101 9.310 -1.779 0.321 1.00 0.00 H new ATOM 0 HA ALA A 101 8.286 -1.921 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.511 -0.492 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.129 0.093 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.117 -0.745 0.464 1.00 0.00 H new ATOM 1629 N LEU A 102 6.602 -3.518 0.629 1.00 0.00 N ATOM 1630 CA LEU A 102 5.442 -4.370 0.423 1.00 0.00 C ATOM 1631 C LEU A 102 5.673 -5.743 1.083 1.00 0.00 C ATOM 1632 O LEU A 102 4.746 -6.208 1.779 1.00 0.00 O ATOM 1633 CB LEU A 102 5.149 -4.457 -1.077 1.00 0.00 C ATOM 1634 CG LEU A 102 3.691 -4.638 -1.478 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.830 -3.520 -0.910 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.601 -4.652 -3.000 1.00 0.00 C ATOM 0 H LEU A 102 7.075 -3.229 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 102 4.559 -3.947 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.522 -3.549 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.721 -5.289 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 102 3.320 -5.580 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.793 -3.671 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.898 -3.526 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.182 -2.561 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.562 -4.781 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.979 -3.709 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.198 -5.476 -3.392 1.00 0.00 H new ATOM 1648 N ASP A 103 6.950 -5.987 1.386 1.00 0.00 N ATOM 1649 CA ASP A 103 7.347 -7.059 2.286 1.00 0.00 C ATOM 1650 C ASP A 103 7.104 -6.663 3.740 1.00 0.00 C ATOM 1651 O ASP A 103 6.412 -7.375 4.471 1.00 0.00 O ATOM 1652 CB ASP A 103 8.765 -7.543 1.998 1.00 0.00 C ATOM 1653 CG ASP A 103 8.977 -9.009 2.320 1.00 0.00 C ATOM 1654 OD1 ASP A 103 8.033 -9.812 2.276 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.129 -9.336 2.681 1.00 0.00 O ATOM 0 H ASP A 103 7.731 -5.447 1.014 1.00 0.00 H new ATOM 0 HA ASP A 103 6.712 -7.926 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.992 -7.373 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.470 -6.946 2.577 1.00 0.00 H new ATOM 1660 N LYS A 104 7.910 -5.717 4.213 1.00 0.00 N ATOM 1661 CA LYS A 104 7.970 -5.368 5.621 1.00 0.00 C ATOM 1662 C LYS A 104 6.602 -4.942 6.141 1.00 0.00 C ATOM 1663 O LYS A 104 6.320 -5.017 7.336 1.00 0.00 O ATOM 1664 CB LYS A 104 8.971 -4.238 5.886 1.00 0.00 C ATOM 1665 CG LYS A 104 9.827 -4.452 7.134 1.00 0.00 C ATOM 1666 CD LYS A 104 11.317 -4.389 6.853 1.00 0.00 C ATOM 1667 CE LYS A 104 12.020 -3.266 7.492 1.00 0.00 C ATOM 1668 NZ LYS A 104 13.355 -3.041 6.882 1.00 0.00 N ATOM 0 H LYS A 104 8.540 -5.172 3.625 1.00 0.00 H new ATOM 0 HA LYS A 104 8.300 -6.264 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.626 -4.135 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.426 -3.299 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.571 -3.696 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.586 -5.421 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.774 -5.321 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.467 -4.326 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.420 -2.361 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.135 -3.466 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.823 -2.242 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.935 -3.897 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.243 -2.826 5.871 1.00 0.00 H new ATOM 1682 N ILE A 105 5.762 -4.480 5.221 1.00 0.00 N ATOM 1683 CA ILE A 105 4.373 -4.168 5.539 1.00 0.00 C ATOM 1684 C ILE A 105 3.628 -5.504 5.769 1.00 0.00 C ATOM 1685 O ILE A 105 3.523 -5.894 6.955 1.00 0.00 O ATOM 1686 CB ILE A 105 3.714 -3.282 4.447 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.329 -1.869 4.368 1.00 0.00 C ATOM 1688 CG2 ILE A 105 2.164 -3.162 4.617 1.00 0.00 C ATOM 1689 CD1 ILE A 105 5.820 -1.694 4.687 1.00 0.00 C ATOM 0 H ILE A 105 6.019 -4.313 4.248 1.00 0.00 H new ATOM 0 HA ILE A 105 4.319 -3.571 6.449 1.00 0.00 H new ATOM 0 HB ILE A 105 3.921 -3.801 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.160 -1.491 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.768 -1.226 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.759 -2.531 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.714 -4.153 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.938 -2.718 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.093 -0.644 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.015 -2.022 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.413 -2.292 3.994 1.00 0.00 H new ATOM 1701 N GLU A 106 3.869 -6.409 4.800 1.00 0.00 N ATOM 1702 CA GLU A 106 3.292 -7.742 4.882 1.00 0.00 C ATOM 1703 C GLU A 106 3.867 -8.520 6.061 1.00 0.00 C ATOM 1704 O GLU A 106 3.385 -9.603 6.394 1.00 0.00 O ATOM 1705 CB GLU A 106 3.585 -8.461 3.556 1.00 0.00 C ATOM 1706 CG GLU A 106 2.872 -9.595 3.085 1.00 0.00 C ATOM 1707 CD GLU A 106 3.030 -9.948 1.635 1.00 0.00 C ATOM 1708 OE1 GLU A 106 4.079 -10.306 1.128 1.00 0.00 O ATOM 1709 OE2 GLU A 106 1.957 -9.841 1.003 1.00 0.00 O ATOM 0 H GLU A 106 4.445 -6.237 3.976 1.00 0.00 H new ATOM 0 HA GLU A 106 2.216 -7.673 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.499 -7.704 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.633 -8.758 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.177 -10.457 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.812 -9.433 3.280 1.00 0.00 H new