USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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 Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -2.66! X(o=-2.7!,f=-2.4) USER MOD Single : B 17 THR OG1 : rot 64:sc= 1.17 USER MOD Single : B 19 THR OG1 : rot 180:sc=-0.000207 USER MOD Single : B 20 ASN : amide:sc= -0.0066 X(o=-0.0066,f=-0.0066) USER MOD Single : B 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.072) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00241) USER MOD Single : B 31 TYR OH : rot 179:sc= -0.0252 USER MOD Single : B 40 MET CE :methyl -112:sc= -0.442 (180deg=-2.91!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= -0.0587 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -167:sc= -1.47 (180deg=-2.03) USER MOD Single : B 70 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.5) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot -170:sc= -0.0736 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 163:sc= -0.0222 (180deg=-0.258) USER MOD Single : B 83 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.35) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.121 -2.570 -18.664 1.00 0.00 N ATOM 112 CA GLY B 8 3.224 -3.180 -19.384 1.00 0.00 C ATOM 113 C GLY B 8 4.387 -3.482 -18.452 1.00 0.00 C ATOM 114 O GLY B 8 5.265 -4.251 -18.824 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.887 -4.101 -19.860 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.556 -2.513 -20.180 1.00 0.00 H new ATOM 118 N LYS B 9 4.400 -2.894 -17.249 1.00 0.00 N ATOM 119 CA LYS B 9 5.447 -3.194 -16.295 1.00 0.00 C ATOM 120 C LYS B 9 4.974 -4.314 -15.389 1.00 0.00 C ATOM 121 O LYS B 9 3.902 -4.229 -14.794 1.00 0.00 O ATOM 122 CB LYS B 9 5.880 -1.965 -15.497 1.00 0.00 C ATOM 123 CG LYS B 9 7.023 -2.397 -14.574 1.00 0.00 C ATOM 124 CD LYS B 9 7.540 -1.253 -13.711 1.00 0.00 C ATOM 125 CE LYS B 9 8.298 -0.230 -14.557 1.00 0.00 C ATOM 126 NZ LYS B 9 8.838 0.857 -13.721 1.00 0.00 N ATOM 0 H LYS B 9 3.705 -2.220 -16.927 1.00 0.00 H new ATOM 0 HA LYS B 9 6.335 -3.516 -16.839 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.207 -1.169 -16.166 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.046 -1.571 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.680 -3.207 -13.930 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.841 -2.793 -15.175 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.705 -0.767 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.196 -1.646 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.113 -0.724 -15.087 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.632 0.186 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.347 1.536 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.057 1.342 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.491 0.461 -13.016 1.00 0.00 H new ATOM 140 N LEU B 10 5.776 -5.367 -15.282 1.00 0.00 N ATOM 141 CA LEU B 10 5.414 -6.529 -14.497 1.00 0.00 C ATOM 142 C LEU B 10 6.339 -6.660 -13.295 1.00 0.00 C ATOM 143 O LEU B 10 7.503 -6.275 -13.358 1.00 0.00 O ATOM 144 CB LEU B 10 5.517 -7.766 -15.387 1.00 0.00 C ATOM 145 CG LEU B 10 4.483 -7.826 -16.515 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.729 -9.120 -17.283 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.052 -7.855 -15.993 1.00 0.00 C ATOM 0 H LEU B 10 6.687 -5.434 -15.735 1.00 0.00 H new ATOM 0 HA LEU B 10 4.394 -6.426 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.515 -7.801 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.410 -8.655 -14.765 1.00 0.00 H new ATOM 0 HG LEU B 10 4.593 -6.935 -17.134 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.010 -9.201 -18.098 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.740 -9.115 -17.690 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.613 -9.970 -16.611 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.359 -7.897 -16.833 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.912 -8.733 -15.363 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.859 -6.955 -15.409 1.00 0.00 H new ATOM 159 N PHE B 11 5.802 -7.214 -12.209 1.00 0.00 N ATOM 160 CA PHE B 11 6.554 -7.567 -11.026 1.00 0.00 C ATOM 161 C PHE B 11 6.772 -9.070 -11.059 1.00 0.00 C ATOM 162 O PHE B 11 5.813 -9.825 -11.216 1.00 0.00 O ATOM 163 CB PHE B 11 5.781 -7.159 -9.774 1.00 0.00 C ATOM 164 CG PHE B 11 6.386 -7.737 -8.515 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.562 -7.181 -7.996 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.782 -8.831 -7.877 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.137 -7.715 -6.838 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.364 -9.366 -6.719 1.00 0.00 C ATOM 169 CZ PHE B 11 7.543 -8.811 -6.206 1.00 0.00 C ATOM 0 H PHE B 11 4.808 -7.431 -12.135 1.00 0.00 H new ATOM 0 HA PHE B 11 7.512 -7.048 -11.004 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.761 -6.072 -9.700 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.747 -7.491 -9.863 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.025 -6.340 -8.490 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.874 -9.259 -8.276 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.039 -7.281 -6.433 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.903 -10.207 -6.222 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.995 -9.231 -5.319 1.00 0.00 H new ATOM 179 N ILE B 12 8.024 -9.503 -10.913 1.00 0.00 N ATOM 180 CA ILE B 12 8.388 -10.902 -11.061 1.00 0.00 C ATOM 181 C ILE B 12 8.973 -11.413 -9.745 1.00 0.00 C ATOM 182 O ILE B 12 10.189 -11.546 -9.621 1.00 0.00 O ATOM 183 CB ILE B 12 9.383 -11.059 -12.219 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.092 -10.206 -13.463 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.415 -12.530 -12.618 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.729 -10.437 -14.105 1.00 0.00 C ATOM 0 H ILE B 12 8.809 -8.891 -10.689 1.00 0.00 H new ATOM 0 HA ILE B 12 7.505 -11.497 -11.297 1.00 0.00 H new ATOM 0 HB ILE B 12 10.342 -10.698 -11.847 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.173 -9.154 -13.189 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.864 -10.402 -14.207 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.116 -12.669 -13.441 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.732 -13.131 -11.766 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.420 -12.843 -12.933 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.621 -9.788 -14.974 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.645 -11.478 -14.417 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.944 -10.210 -13.384 1.00 0.00 H new ATOM 198 N GLY B 13 8.124 -11.703 -8.756 1.00 0.00 N ATOM 199 CA GLY B 13 8.611 -12.116 -7.444 1.00 0.00 C ATOM 200 C GLY B 13 8.693 -13.635 -7.322 1.00 0.00 C ATOM 201 O GLY B 13 7.854 -14.342 -7.870 1.00 0.00 O ATOM 0 H GLY B 13 7.108 -11.659 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.596 -11.684 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.950 -11.724 -6.671 1.00 0.00 H new ATOM 205 N GLY B 14 9.694 -14.147 -6.604 1.00 0.00 N ATOM 206 CA GLY B 14 9.801 -15.568 -6.299 1.00 0.00 C ATOM 207 C GLY B 14 10.812 -16.265 -7.202 1.00 0.00 C ATOM 208 O GLY B 14 10.912 -17.490 -7.200 1.00 0.00 O ATOM 0 H GLY B 14 10.453 -13.584 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.095 -15.695 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.825 -16.039 -6.414 1.00 0.00 H new ATOM 212 N LEU B 15 11.566 -15.482 -7.976 1.00 0.00 N ATOM 213 CA LEU B 15 12.555 -15.999 -8.904 1.00 0.00 C ATOM 214 C LEU B 15 13.684 -16.715 -8.172 1.00 0.00 C ATOM 215 O LEU B 15 13.858 -16.558 -6.964 1.00 0.00 O ATOM 216 CB LEU B 15 13.157 -14.845 -9.702 1.00 0.00 C ATOM 217 CG LEU B 15 12.161 -14.132 -10.613 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.708 -12.756 -10.968 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.026 -14.931 -11.904 1.00 0.00 C ATOM 0 H LEU B 15 11.501 -14.464 -7.971 1.00 0.00 H new ATOM 0 HA LEU B 15 12.054 -16.708 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.582 -14.120 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.979 -15.226 -10.308 1.00 0.00 H new ATOM 0 HG LEU B 15 11.199 -14.041 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.002 -12.241 -11.619 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.852 -12.176 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.662 -12.866 -11.483 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.317 -14.435 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.997 -14.996 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.667 -15.934 -11.675 1.00 0.00 H new ATOM 231 N ASN B 16 14.456 -17.504 -8.920 1.00 0.00 N ATOM 232 CA ASN B 16 15.630 -18.173 -8.408 1.00 0.00 C ATOM 233 C ASN B 16 16.749 -17.156 -8.191 1.00 0.00 C ATOM 234 O ASN B 16 16.768 -16.102 -8.824 1.00 0.00 O ATOM 235 CB ASN B 16 16.010 -19.246 -9.416 1.00 0.00 C ATOM 236 CG ASN B 16 17.058 -20.218 -8.929 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.294 -20.371 -7.734 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.686 -20.884 -9.884 1.00 0.00 N ATOM 0 H ASN B 16 14.274 -17.692 -9.906 1.00 0.00 H new ATOM 0 HA ASN B 16 15.442 -18.640 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.114 -19.804 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.374 -18.763 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.406 -21.564 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.450 -20.717 -10.862 1.00 0.00 H new ATOM 245 N THR B 17 17.688 -17.472 -7.298 1.00 0.00 N ATOM 246 CA THR B 17 18.816 -16.594 -7.007 1.00 0.00 C ATOM 247 C THR B 17 19.843 -16.628 -8.134 1.00 0.00 C ATOM 248 O THR B 17 20.858 -15.937 -8.078 1.00 0.00 O ATOM 249 CB THR B 17 19.476 -17.019 -5.694 1.00 0.00 C ATOM 250 OG1 THR B 17 19.880 -18.371 -5.752 1.00 0.00 O ATOM 251 CG2 THR B 17 18.480 -16.886 -4.550 1.00 0.00 C ATOM 0 H THR B 17 17.686 -18.339 -6.760 1.00 0.00 H new ATOM 0 HA THR B 17 18.441 -15.574 -6.916 1.00 0.00 H new ATOM 0 HB THR B 17 20.342 -16.377 -5.534 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.564 -18.478 -6.445 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.955 -17.190 -3.617 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.154 -15.849 -4.470 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.617 -17.524 -4.743 1.00 0.00 H new ATOM 259 N GLU B 18 19.565 -17.439 -9.155 1.00 0.00 N ATOM 260 CA GLU B 18 20.485 -17.761 -10.232 1.00 0.00 C ATOM 261 C GLU B 18 20.021 -17.132 -11.543 1.00 0.00 C ATOM 262 O GLU B 18 20.721 -17.200 -12.554 1.00 0.00 O ATOM 263 CB GLU B 18 20.551 -19.287 -10.359 1.00 0.00 C ATOM 264 CG GLU B 18 20.548 -19.980 -8.992 1.00 0.00 C ATOM 265 CD GLU B 18 21.837 -19.694 -8.219 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.822 -20.428 -8.452 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.838 -18.747 -7.401 1.00 0.00 O ATOM 0 H GLU B 18 18.662 -17.902 -9.253 1.00 0.00 H new ATOM 0 HA GLU B 18 21.474 -17.361 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.702 -19.639 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.452 -19.566 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.691 -19.639 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.434 -21.056 -9.128 1.00 0.00 H new ATOM 274 N THR B 19 18.833 -16.517 -11.527 1.00 0.00 N ATOM 275 CA THR B 19 18.243 -15.899 -12.704 1.00 0.00 C ATOM 276 C THR B 19 18.817 -14.502 -12.888 1.00 0.00 C ATOM 277 O THR B 19 19.086 -13.805 -11.910 1.00 0.00 O ATOM 278 CB THR B 19 16.721 -15.841 -12.548 1.00 0.00 C ATOM 279 OG1 THR B 19 16.220 -17.133 -12.280 1.00 0.00 O ATOM 280 CG2 THR B 19 16.049 -15.325 -13.818 1.00 0.00 C ATOM 0 H THR B 19 18.257 -16.437 -10.689 1.00 0.00 H new ATOM 0 HA THR B 19 18.479 -16.493 -13.587 1.00 0.00 H new ATOM 0 HB THR B 19 16.501 -15.161 -11.725 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.246 -17.092 -12.179 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.969 -15.297 -13.672 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.412 -14.321 -14.040 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.286 -15.988 -14.650 1.00 0.00 H new ATOM 288 N ASN B 20 18.999 -14.090 -14.143 1.00 0.00 N ATOM 289 CA ASN B 20 19.461 -12.749 -14.458 1.00 0.00 C ATOM 290 C ASN B 20 18.599 -12.154 -15.560 1.00 0.00 C ATOM 291 O ASN B 20 17.562 -12.709 -15.922 1.00 0.00 O ATOM 292 CB ASN B 20 20.926 -12.731 -14.900 1.00 0.00 C ATOM 293 CG ASN B 20 21.712 -13.920 -14.392 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.281 -13.896 -13.304 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.736 -14.973 -15.200 1.00 0.00 N ATOM 0 H ASN B 20 18.830 -14.676 -14.961 1.00 0.00 H new ATOM 0 HA ASN B 20 19.378 -12.155 -13.548 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.971 -12.711 -15.989 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.396 -11.814 -14.545 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.244 -15.814 -14.927 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.246 -14.941 -16.094 1.00 0.00 H new ATOM 302 N GLU B 21 19.045 -11.018 -16.088 1.00 0.00 N ATOM 303 CA GLU B 21 18.285 -10.241 -17.053 1.00 0.00 C ATOM 304 C GLU B 21 18.150 -10.996 -18.367 1.00 0.00 C ATOM 305 O GLU B 21 17.120 -10.904 -19.023 1.00 0.00 O ATOM 306 CB GLU B 21 18.988 -8.907 -17.280 1.00 0.00 C ATOM 307 CG GLU B 21 18.872 -8.062 -16.014 1.00 0.00 C ATOM 308 CD GLU B 21 19.778 -6.835 -16.084 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.349 -5.838 -16.706 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.889 -6.903 -15.515 1.00 0.00 O ATOM 0 H GLU B 21 19.951 -10.611 -15.855 1.00 0.00 H new ATOM 0 HA GLU B 21 17.282 -10.066 -16.663 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.037 -9.072 -17.528 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.539 -8.384 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.838 -7.746 -15.878 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.138 -8.665 -15.146 1.00 0.00 H new ATOM 317 N LYS B 22 19.178 -11.751 -18.764 1.00 0.00 N ATOM 318 CA LYS B 22 19.149 -12.459 -20.034 1.00 0.00 C ATOM 319 C LYS B 22 18.102 -13.566 -20.020 1.00 0.00 C ATOM 320 O LYS B 22 17.545 -13.909 -21.059 1.00 0.00 O ATOM 321 CB LYS B 22 20.550 -13.013 -20.313 1.00 0.00 C ATOM 322 CG LYS B 22 20.610 -13.830 -21.607 1.00 0.00 C ATOM 323 CD LYS B 22 20.022 -13.046 -22.785 1.00 0.00 C ATOM 324 CE LYS B 22 20.242 -13.801 -24.097 1.00 0.00 C ATOM 325 NZ LYS B 22 19.530 -15.093 -24.111 1.00 0.00 N ATOM 0 H LYS B 22 20.033 -11.883 -18.224 1.00 0.00 H new ATOM 0 HA LYS B 22 18.867 -11.773 -20.833 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.258 -12.187 -20.375 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.863 -13.639 -19.477 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.644 -14.097 -21.824 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.061 -14.763 -21.477 1.00 0.00 H new ATOM 0 HD2 LYS B 22 18.956 -12.885 -22.626 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.488 -12.062 -22.843 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.900 -13.188 -24.931 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.308 -13.972 -24.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 19.590 -15.512 -25.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.965 -15.737 -23.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 18.532 -14.942 -23.862 1.00 0.00 H new ATOM 339 N ALA B 23 17.826 -14.130 -18.846 1.00 0.00 N ATOM 340 CA ALA B 23 16.875 -15.224 -18.735 1.00 0.00 C ATOM 341 C ALA B 23 15.474 -14.636 -18.605 1.00 0.00 C ATOM 342 O ALA B 23 14.480 -15.300 -18.877 1.00 0.00 O ATOM 343 CB ALA B 23 17.240 -16.076 -17.521 1.00 0.00 C ATOM 0 H ALA B 23 18.248 -13.845 -17.962 1.00 0.00 H new ATOM 0 HA ALA B 23 16.903 -15.862 -19.618 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.532 -16.900 -17.429 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.247 -16.475 -17.646 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.202 -15.462 -16.621 1.00 0.00 H new ATOM 349 N LEU B 24 15.420 -13.373 -18.185 1.00 0.00 N ATOM 350 CA LEU B 24 14.203 -12.649 -17.895 1.00 0.00 C ATOM 351 C LEU B 24 13.699 -11.970 -19.164 1.00 0.00 C ATOM 352 O LEU B 24 12.503 -11.755 -19.332 1.00 0.00 O ATOM 353 CB LEU B 24 14.589 -11.637 -16.811 1.00 0.00 C ATOM 354 CG LEU B 24 14.095 -12.105 -15.451 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.833 -11.386 -14.327 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.605 -11.828 -15.327 1.00 0.00 C ATOM 0 H LEU B 24 16.259 -12.813 -18.035 1.00 0.00 H new ATOM 0 HA LEU B 24 13.393 -13.291 -17.550 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.672 -11.513 -16.789 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.161 -10.662 -17.045 1.00 0.00 H new ATOM 0 HG LEU B 24 14.285 -13.175 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.462 -11.738 -13.365 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.901 -11.593 -14.402 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.665 -10.312 -14.410 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.252 -12.164 -14.352 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.424 -10.758 -15.429 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.069 -12.363 -16.111 1.00 0.00 H new ATOM 368 N GLU B 25 14.615 -11.632 -20.070 1.00 0.00 N ATOM 369 CA GLU B 25 14.230 -11.118 -21.371 1.00 0.00 C ATOM 370 C GLU B 25 13.861 -12.268 -22.293 1.00 0.00 C ATOM 371 O GLU B 25 13.051 -12.128 -23.204 1.00 0.00 O ATOM 372 CB GLU B 25 15.401 -10.379 -22.014 1.00 0.00 C ATOM 373 CG GLU B 25 15.670 -9.081 -21.273 1.00 0.00 C ATOM 374 CD GLU B 25 16.738 -8.246 -21.977 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.934 -8.568 -21.803 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.352 -7.289 -22.683 1.00 0.00 O ATOM 0 H GLU B 25 15.622 -11.706 -19.923 1.00 0.00 H new ATOM 0 HA GLU B 25 13.384 -10.446 -21.230 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.291 -11.008 -21.997 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.179 -10.170 -23.060 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.747 -8.505 -21.198 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.991 -9.302 -20.255 1.00 0.00 H new ATOM 383 N ALA B 26 14.481 -13.421 -22.040 1.00 0.00 N ATOM 384 CA ALA B 26 14.336 -14.598 -22.873 1.00 0.00 C ATOM 385 C ALA B 26 13.042 -15.342 -22.555 1.00 0.00 C ATOM 386 O ALA B 26 12.530 -16.084 -23.392 1.00 0.00 O ATOM 387 CB ALA B 26 15.529 -15.508 -22.607 1.00 0.00 C ATOM 0 H ALA B 26 15.102 -13.557 -21.242 1.00 0.00 H new ATOM 0 HA ALA B 26 14.298 -14.300 -23.921 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.447 -16.404 -23.222 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.451 -14.981 -22.855 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.544 -15.790 -21.554 1.00 0.00 H new ATOM 393 N VAL B 27 12.516 -15.142 -21.345 1.00 0.00 N ATOM 394 CA VAL B 27 11.346 -15.862 -20.871 1.00 0.00 C ATOM 395 C VAL B 27 10.074 -15.034 -20.941 1.00 0.00 C ATOM 396 O VAL B 27 8.997 -15.563 -21.201 1.00 0.00 O ATOM 397 CB VAL B 27 11.655 -16.305 -19.454 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.564 -15.165 -18.459 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.715 -17.397 -18.980 1.00 0.00 C ATOM 0 H VAL B 27 12.893 -14.476 -20.671 1.00 0.00 H new ATOM 0 HA VAL B 27 11.149 -16.719 -21.515 1.00 0.00 H new ATOM 0 HB VAL B 27 12.678 -16.680 -19.494 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.794 -15.535 -17.460 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.277 -14.387 -18.731 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.555 -14.752 -18.470 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.974 -17.683 -17.960 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.689 -17.030 -19.005 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.806 -18.264 -19.634 1.00 0.00 H new ATOM 409 N PHE B 28 10.196 -13.729 -20.710 1.00 0.00 N ATOM 410 CA PHE B 28 9.061 -12.832 -20.846 1.00 0.00 C ATOM 411 C PHE B 28 8.985 -12.255 -22.253 1.00 0.00 C ATOM 412 O PHE B 28 7.987 -11.635 -22.617 1.00 0.00 O ATOM 413 CB PHE B 28 9.104 -11.746 -19.774 1.00 0.00 C ATOM 414 CG PHE B 28 8.830 -12.280 -18.390 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.508 -12.438 -17.949 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.889 -12.631 -17.547 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.252 -12.956 -16.672 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.636 -13.155 -16.272 1.00 0.00 C ATOM 419 CZ PHE B 28 8.315 -13.317 -15.835 1.00 0.00 C ATOM 0 H PHE B 28 11.065 -13.275 -20.430 1.00 0.00 H new ATOM 0 HA PHE B 28 8.145 -13.402 -20.691 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.083 -11.268 -19.787 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.370 -10.976 -20.013 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.687 -12.160 -18.594 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.908 -12.498 -17.880 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.234 -13.077 -16.333 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.457 -13.433 -15.628 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.116 -13.720 -14.853 1.00 0.00 H new ATOM 429 N GLY B 29 10.033 -12.454 -23.057 1.00 0.00 N ATOM 430 CA GLY B 29 10.021 -12.010 -24.445 1.00 0.00 C ATOM 431 C GLY B 29 9.194 -12.963 -25.307 1.00 0.00 C ATOM 432 O GLY B 29 9.020 -12.741 -26.504 1.00 0.00 O ATOM 0 H GLY B 29 10.894 -12.918 -22.768 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.608 -11.003 -24.507 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.041 -11.960 -24.825 1.00 0.00 H new ATOM 436 N LYS B 30 8.685 -14.029 -24.679 1.00 0.00 N ATOM 437 CA LYS B 30 7.894 -15.062 -25.325 1.00 0.00 C ATOM 438 C LYS B 30 6.440 -14.633 -25.457 1.00 0.00 C ATOM 439 O LYS B 30 5.660 -15.270 -26.164 1.00 0.00 O ATOM 440 CB LYS B 30 8.000 -16.326 -24.467 1.00 0.00 C ATOM 441 CG LYS B 30 9.469 -16.703 -24.270 1.00 0.00 C ATOM 442 CD LYS B 30 9.658 -17.880 -23.304 1.00 0.00 C ATOM 443 CE LYS B 30 8.824 -19.104 -23.677 1.00 0.00 C ATOM 444 NZ LYS B 30 9.211 -19.651 -24.991 1.00 0.00 N ATOM 0 H LYS B 30 8.820 -14.194 -23.681 1.00 0.00 H new ATOM 0 HA LYS B 30 8.269 -15.246 -26.332 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.526 -16.160 -23.500 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.467 -17.147 -24.947 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.906 -16.958 -25.235 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.014 -15.838 -23.892 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.712 -18.159 -23.283 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.393 -17.561 -22.296 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.945 -19.873 -22.914 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.768 -18.833 -23.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.634 -20.490 -25.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.056 -18.932 -25.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.216 -19.917 -24.974 1.00 0.00 H new ATOM 458 N TYR B 31 6.088 -13.552 -24.768 1.00 0.00 N ATOM 459 CA TYR B 31 4.732 -13.034 -24.724 1.00 0.00 C ATOM 460 C TYR B 31 4.595 -11.679 -25.415 1.00 0.00 C ATOM 461 O TYR B 31 3.488 -11.292 -25.780 1.00 0.00 O ATOM 462 CB TYR B 31 4.337 -12.930 -23.258 1.00 0.00 C ATOM 463 CG TYR B 31 4.482 -14.238 -22.513 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.558 -15.271 -22.719 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.552 -14.414 -21.619 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.709 -16.491 -22.048 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.704 -15.631 -20.934 1.00 0.00 C ATOM 468 CZ TYR B 31 4.791 -16.682 -21.168 1.00 0.00 C ATOM 469 OH TYR B 31 4.950 -17.885 -20.547 1.00 0.00 O ATOM 0 H TYR B 31 6.750 -13.005 -24.217 1.00 0.00 H new ATOM 0 HA TYR B 31 4.072 -13.710 -25.267 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.953 -12.172 -22.774 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.303 -12.592 -23.189 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.729 -15.126 -23.396 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.258 -13.613 -21.458 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.995 -17.286 -22.206 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.515 -15.762 -20.232 1.00 0.00 H new ATOM 0 HH TYR B 31 5.753 -17.860 -19.986 1.00 0.00 H new ATOM 479 N GLY B 32 5.702 -10.954 -25.599 1.00 0.00 N ATOM 480 CA GLY B 32 5.666 -9.635 -26.211 1.00 0.00 C ATOM 481 C GLY B 32 7.051 -9.056 -26.403 1.00 0.00 C ATOM 482 O GLY B 32 8.032 -9.553 -25.849 1.00 0.00 O ATOM 0 H GLY B 32 6.635 -11.265 -25.329 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.163 -9.698 -27.176 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.076 -8.963 -25.587 1.00 0.00 H new ATOM 486 N ARG B 33 7.120 -7.989 -27.201 1.00 0.00 N ATOM 487 CA ARG B 33 8.360 -7.295 -27.437 1.00 0.00 C ATOM 488 C ARG B 33 8.703 -6.495 -26.198 1.00 0.00 C ATOM 489 O ARG B 33 7.974 -5.587 -25.804 1.00 0.00 O ATOM 490 CB ARG B 33 8.213 -6.418 -28.676 1.00 0.00 C ATOM 491 CG ARG B 33 9.570 -6.278 -29.347 1.00 0.00 C ATOM 492 CD ARG B 33 9.424 -5.476 -30.640 1.00 0.00 C ATOM 493 NE ARG B 33 10.689 -5.444 -31.388 1.00 0.00 N ATOM 494 CZ ARG B 33 11.652 -4.532 -31.218 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.523 -3.545 -30.337 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.765 -4.610 -31.940 1.00 0.00 N ATOM 0 H ARG B 33 6.318 -7.594 -27.692 1.00 0.00 H new ATOM 0 HA ARG B 33 9.178 -7.990 -27.627 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.495 -6.860 -29.367 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.827 -5.437 -28.399 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.269 -5.780 -28.675 1.00 0.00 H new ATOM 0 HG3 ARG B 33 9.983 -7.263 -29.563 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.643 -5.917 -31.259 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.110 -4.459 -30.407 1.00 0.00 H new ATOM 0 HE ARG B 33 10.843 -6.170 -32.087 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.676 -3.472 -29.773 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.271 -2.861 -30.225 1.00 0.00 H new ATOM 0 HH21 ARG B 33 12.881 -5.362 -32.619 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.503 -3.918 -31.815 1.00 0.00 H new ATOM 510 N ILE B 34 9.822 -6.847 -25.581 1.00 0.00 N ATOM 511 CA ILE B 34 10.313 -6.167 -24.393 1.00 0.00 C ATOM 512 C ILE B 34 10.936 -4.826 -24.767 1.00 0.00 C ATOM 513 O ILE B 34 11.615 -4.712 -25.785 1.00 0.00 O ATOM 514 CB ILE B 34 11.303 -7.087 -23.671 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.535 -8.319 -23.174 1.00 0.00 C ATOM 516 CG2 ILE B 34 11.983 -6.358 -22.512 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.405 -9.241 -22.318 1.00 0.00 C ATOM 0 H ILE B 34 10.416 -7.615 -25.892 1.00 0.00 H new ATOM 0 HA ILE B 34 9.489 -5.950 -23.714 1.00 0.00 H new ATOM 0 HB ILE B 34 12.092 -7.395 -24.357 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.671 -7.996 -22.593 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.153 -8.875 -24.030 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.680 -7.033 -22.017 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.525 -5.493 -22.894 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.229 -6.027 -21.798 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.815 -10.097 -21.991 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.255 -9.588 -22.906 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.766 -8.695 -21.446 1.00 0.00 H new ATOM 529 N VAL B 35 10.702 -3.813 -23.927 1.00 0.00 N ATOM 530 CA VAL B 35 11.307 -2.495 -24.088 1.00 0.00 C ATOM 531 C VAL B 35 12.323 -2.248 -22.981 1.00 0.00 C ATOM 532 O VAL B 35 13.227 -1.427 -23.142 1.00 0.00 O ATOM 533 CB VAL B 35 10.247 -1.379 -24.103 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.323 -0.638 -25.432 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.816 -1.877 -23.903 1.00 0.00 C ATOM 0 H VAL B 35 10.087 -3.888 -23.117 1.00 0.00 H new ATOM 0 HA VAL B 35 11.815 -2.476 -25.052 1.00 0.00 H new ATOM 0 HB VAL B 35 10.475 -0.728 -23.259 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.575 0.154 -25.450 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.315 -0.203 -25.550 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.133 -1.335 -26.248 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.130 -1.031 -23.926 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.559 -2.575 -24.700 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.738 -2.381 -22.940 1.00 0.00 H new ATOM 545 N GLU B 36 12.181 -2.957 -21.857 1.00 0.00 N ATOM 546 CA GLU B 36 13.103 -2.860 -20.738 1.00 0.00 C ATOM 547 C GLU B 36 12.962 -4.087 -19.843 1.00 0.00 C ATOM 548 O GLU B 36 11.883 -4.667 -19.749 1.00 0.00 O ATOM 549 CB GLU B 36 12.792 -1.585 -19.945 1.00 0.00 C ATOM 550 CG GLU B 36 13.747 -1.406 -18.770 1.00 0.00 C ATOM 551 CD GLU B 36 13.542 -0.054 -18.095 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.058 0.945 -18.646 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.873 -0.024 -17.038 1.00 0.00 O ATOM 0 H GLU B 36 11.417 -3.616 -21.704 1.00 0.00 H new ATOM 0 HA GLU B 36 14.128 -2.816 -21.106 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.860 -0.720 -20.605 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.767 -1.626 -19.578 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.590 -2.205 -18.045 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.776 -1.489 -19.118 1.00 0.00 H new ATOM 560 N VAL B 37 14.048 -4.485 -19.179 1.00 0.00 N ATOM 561 CA VAL B 37 13.998 -5.518 -18.154 1.00 0.00 C ATOM 562 C VAL B 37 14.825 -5.075 -16.959 1.00 0.00 C ATOM 563 O VAL B 37 15.865 -4.431 -17.105 1.00 0.00 O ATOM 564 CB VAL B 37 14.454 -6.888 -18.685 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.132 -7.750 -17.617 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.229 -7.658 -19.167 1.00 0.00 C ATOM 0 H VAL B 37 14.979 -4.101 -19.338 1.00 0.00 H new ATOM 0 HA VAL B 37 12.962 -5.649 -17.843 1.00 0.00 H new ATOM 0 HB VAL B 37 15.173 -6.694 -19.481 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.430 -8.703 -18.054 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.013 -7.233 -17.238 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.436 -7.929 -16.798 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.538 -8.632 -19.547 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.536 -7.795 -18.337 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.737 -7.098 -19.962 1.00 0.00 H new ATOM 576 N LEU B 38 14.340 -5.437 -15.773 1.00 0.00 N ATOM 577 CA LEU B 38 15.036 -5.188 -14.522 1.00 0.00 C ATOM 578 C LEU B 38 15.307 -6.508 -13.835 1.00 0.00 C ATOM 579 O LEU B 38 14.640 -7.506 -14.101 1.00 0.00 O ATOM 580 CB LEU B 38 14.157 -4.328 -13.629 1.00 0.00 C ATOM 581 CG LEU B 38 14.529 -2.845 -13.667 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.468 -2.051 -12.914 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.867 -2.603 -12.974 1.00 0.00 C ATOM 0 H LEU B 38 13.446 -5.915 -15.657 1.00 0.00 H new ATOM 0 HA LEU B 38 15.978 -4.675 -14.716 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.117 -4.443 -13.934 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.230 -4.688 -12.603 1.00 0.00 H new ATOM 0 HG LEU B 38 14.596 -2.534 -14.710 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.723 -0.992 -12.935 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.498 -2.200 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.423 -2.393 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.111 -1.541 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.801 -2.921 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.647 -3.173 -13.479 1.00 0.00 H new ATOM 595 N LEU B 39 16.291 -6.503 -12.943 1.00 0.00 N ATOM 596 CA LEU B 39 16.576 -7.651 -12.120 1.00 0.00 C ATOM 597 C LEU B 39 17.284 -7.145 -10.872 1.00 0.00 C ATOM 598 O LEU B 39 18.321 -6.487 -10.963 1.00 0.00 O ATOM 599 CB LEU B 39 17.438 -8.603 -12.959 1.00 0.00 C ATOM 600 CG LEU B 39 17.951 -9.880 -12.286 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.223 -9.632 -11.487 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.916 -10.552 -11.393 1.00 0.00 C ATOM 0 H LEU B 39 16.904 -5.705 -12.778 1.00 0.00 H new ATOM 0 HA LEU B 39 15.687 -8.196 -11.801 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.859 -8.895 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.301 -8.044 -13.319 1.00 0.00 H new ATOM 0 HG LEU B 39 18.170 -10.560 -13.109 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.551 -10.564 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU B 39 20.003 -9.261 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU B 39 19.026 -8.893 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.346 -11.450 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.616 -9.864 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU B 39 16.044 -10.824 -11.988 1.00 0.00 H new ATOM 614 N MET B 40 16.718 -7.452 -9.705 1.00 0.00 N ATOM 615 CA MET B 40 17.229 -6.927 -8.455 1.00 0.00 C ATOM 616 C MET B 40 18.197 -7.915 -7.845 1.00 0.00 C ATOM 617 O MET B 40 17.936 -9.117 -7.838 1.00 0.00 O ATOM 618 CB MET B 40 16.082 -6.646 -7.487 1.00 0.00 C ATOM 619 CG MET B 40 15.198 -5.461 -7.898 1.00 0.00 C ATOM 620 SD MET B 40 15.334 -4.827 -9.594 1.00 0.00 S ATOM 621 CE MET B 40 16.695 -3.649 -9.379 1.00 0.00 C ATOM 0 H MET B 40 15.906 -8.062 -9.607 1.00 0.00 H new ATOM 0 HA MET B 40 17.751 -5.990 -8.652 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.462 -7.538 -7.405 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.494 -6.453 -6.497 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.160 -5.749 -7.734 1.00 0.00 H new ATOM 0 HG3 MET B 40 15.411 -4.637 -7.218 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.320 -2.633 -9.502 1.00 0.00 H new ATOM 0 HE2 MET B 40 17.119 -3.761 -8.381 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.466 -3.844 -10.124 1.00 0.00 H new ATOM 631 N LYS B 41 19.314 -7.403 -7.327 1.00 0.00 N ATOM 632 CA LYS B 41 20.267 -8.215 -6.593 1.00 0.00 C ATOM 633 C LYS B 41 20.863 -7.435 -5.432 1.00 0.00 C ATOM 634 O LYS B 41 20.976 -6.211 -5.484 1.00 0.00 O ATOM 635 CB LYS B 41 21.337 -8.819 -7.508 1.00 0.00 C ATOM 636 CG LYS B 41 21.517 -8.045 -8.813 1.00 0.00 C ATOM 637 CD LYS B 41 22.687 -8.615 -9.610 1.00 0.00 C ATOM 638 CE LYS B 41 22.807 -7.857 -10.930 1.00 0.00 C ATOM 639 NZ LYS B 41 23.915 -8.389 -11.746 1.00 0.00 N ATOM 0 H LYS B 41 19.576 -6.421 -7.407 1.00 0.00 H new ATOM 0 HA LYS B 41 19.726 -9.061 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.288 -8.848 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.069 -9.850 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.604 -8.100 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.694 -6.991 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.611 -8.525 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.532 -9.677 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.872 -7.935 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.972 -6.798 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.976 -7.857 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.809 -8.292 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.743 -9.393 -11.953 1.00 0.00 H new ATOM 765 N ARG B 49 17.684 -10.811 -5.575 1.00 0.00 N ATOM 766 CA ARG B 49 16.923 -10.669 -4.336 1.00 0.00 C ATOM 767 C ARG B 49 15.649 -11.508 -4.392 1.00 0.00 C ATOM 768 O ARG B 49 14.826 -11.456 -3.481 1.00 0.00 O ATOM 769 CB ARG B 49 16.608 -9.200 -4.037 1.00 0.00 C ATOM 770 CG ARG B 49 17.819 -8.296 -4.273 1.00 0.00 C ATOM 771 CD ARG B 49 17.863 -7.104 -3.321 1.00 0.00 C ATOM 772 NE ARG B 49 18.189 -7.514 -1.950 1.00 0.00 N ATOM 773 CZ ARG B 49 17.412 -7.323 -0.879 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.223 -6.735 -0.986 1.00 0.00 N ATOM 775 NH2 ARG B 49 17.836 -7.726 0.311 1.00 0.00 N ATOM 0 HA ARG B 49 17.540 -11.040 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.781 -8.871 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG B 49 16.279 -9.103 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.731 -8.881 -4.157 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.801 -7.934 -5.301 1.00 0.00 H new ATOM 0 HD2 ARG B 49 18.604 -6.386 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG B 49 16.898 -6.596 -3.329 1.00 0.00 H new ATOM 0 HE ARG B 49 19.082 -7.984 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG B 49 15.890 -6.421 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.645 -6.599 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG B 49 18.747 -8.177 0.402 1.00 0.00 H new ATOM 0 HH22 ARG B 49 17.252 -7.585 1.135 1.00 0.00 H new ATOM 789 N GLY B 50 15.493 -12.280 -5.470 1.00 0.00 N ATOM 790 CA GLY B 50 14.347 -13.153 -5.661 1.00 0.00 C ATOM 791 C GLY B 50 13.187 -12.437 -6.347 1.00 0.00 C ATOM 792 O GLY B 50 12.126 -13.030 -6.513 1.00 0.00 O ATOM 0 H GLY B 50 16.166 -12.313 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.644 -14.015 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.017 -13.533 -4.694 1.00 0.00 H new ATOM 796 N PHE B 51 13.368 -11.175 -6.748 1.00 0.00 N ATOM 797 CA PHE B 51 12.334 -10.451 -7.470 1.00 0.00 C ATOM 798 C PHE B 51 12.944 -9.603 -8.581 1.00 0.00 C ATOM 799 O PHE B 51 14.128 -9.260 -8.537 1.00 0.00 O ATOM 800 CB PHE B 51 11.481 -9.619 -6.508 1.00 0.00 C ATOM 801 CG PHE B 51 12.136 -8.369 -5.969 1.00 0.00 C ATOM 802 CD1 PHE B 51 13.123 -8.448 -4.978 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.743 -7.115 -6.463 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.715 -7.276 -4.481 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.313 -5.946 -5.946 1.00 0.00 C ATOM 806 CZ PHE B 51 13.301 -6.028 -4.960 1.00 0.00 C ATOM 0 H PHE B 51 14.221 -10.640 -6.582 1.00 0.00 H new ATOM 0 HA PHE B 51 11.669 -11.173 -7.945 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.562 -9.334 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.195 -10.250 -5.666 1.00 0.00 H new ATOM 0 HD1 PHE B 51 13.429 -9.411 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.999 -7.052 -7.244 1.00 0.00 H new ATOM 0 HE1 PHE B 51 14.489 -7.337 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.990 -4.981 -6.308 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.746 -5.126 -4.567 1.00 0.00 H new ATOM 816 N ALA B 52 12.133 -9.265 -9.582 1.00 0.00 N ATOM 817 CA ALA B 52 12.581 -8.512 -10.740 1.00 0.00 C ATOM 818 C ALA B 52 11.405 -7.798 -11.401 1.00 0.00 C ATOM 819 O ALA B 52 10.275 -7.884 -10.923 1.00 0.00 O ATOM 820 CB ALA B 52 13.219 -9.490 -11.722 1.00 0.00 C ATOM 0 H ALA B 52 11.143 -9.509 -9.608 1.00 0.00 H new ATOM 0 HA ALA B 52 13.304 -7.755 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.564 -8.948 -12.602 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.065 -9.985 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.484 -10.237 -12.021 1.00 0.00 H new ATOM 826 N PHE B 53 11.671 -7.091 -12.503 1.00 0.00 N ATOM 827 CA PHE B 53 10.642 -6.380 -13.244 1.00 0.00 C ATOM 828 C PHE B 53 10.906 -6.473 -14.745 1.00 0.00 C ATOM 829 O PHE B 53 12.011 -6.806 -15.168 1.00 0.00 O ATOM 830 CB PHE B 53 10.590 -4.913 -12.797 1.00 0.00 C ATOM 831 CG PHE B 53 10.364 -4.717 -11.322 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.440 -4.857 -10.437 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.090 -4.395 -10.839 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.237 -4.698 -9.061 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.889 -4.232 -9.462 1.00 0.00 C ATOM 836 CZ PHE B 53 9.961 -4.396 -8.573 1.00 0.00 C ATOM 0 H PHE B 53 12.606 -7.000 -12.901 1.00 0.00 H new ATOM 0 HA PHE B 53 9.677 -6.843 -13.037 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.526 -4.428 -13.076 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.794 -4.408 -13.344 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.425 -5.087 -10.815 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.265 -4.273 -11.525 1.00 0.00 H new ATOM 0 HE1 PHE B 53 12.065 -4.808 -8.376 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.909 -3.980 -9.085 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.801 -4.289 -7.510 1.00 0.00 H new ATOM 846 N VAL B 54 9.890 -6.178 -15.553 1.00 0.00 N ATOM 847 CA VAL B 54 10.018 -6.162 -17.004 1.00 0.00 C ATOM 848 C VAL B 54 8.985 -5.215 -17.592 1.00 0.00 C ATOM 849 O VAL B 54 7.889 -5.098 -17.053 1.00 0.00 O ATOM 850 CB VAL B 54 9.843 -7.574 -17.570 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.586 -8.250 -17.093 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.853 -7.589 -19.097 1.00 0.00 C ATOM 0 H VAL B 54 8.956 -5.944 -15.218 1.00 0.00 H new ATOM 0 HA VAL B 54 11.014 -5.812 -17.275 1.00 0.00 H new ATOM 0 HB VAL B 54 10.701 -8.130 -17.194 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.521 -9.247 -17.530 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.606 -8.331 -16.006 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.719 -7.663 -17.397 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.726 -8.612 -19.452 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.037 -6.971 -19.472 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.803 -7.195 -19.459 1.00 0.00 H new ATOM 862 N THR B 55 9.335 -4.548 -18.693 1.00 0.00 N ATOM 863 CA THR B 55 8.417 -3.665 -19.399 1.00 0.00 C ATOM 864 C THR B 55 8.166 -4.185 -20.807 1.00 0.00 C ATOM 865 O THR B 55 9.105 -4.372 -21.582 1.00 0.00 O ATOM 866 CB THR B 55 8.949 -2.228 -19.437 1.00 0.00 C ATOM 867 OG1 THR B 55 9.260 -1.790 -18.130 1.00 0.00 O ATOM 868 CG2 THR B 55 7.883 -1.303 -20.020 1.00 0.00 C ATOM 0 H THR B 55 10.261 -4.607 -19.116 1.00 0.00 H new ATOM 0 HA THR B 55 7.471 -3.653 -18.857 1.00 0.00 H new ATOM 0 HB THR B 55 9.847 -2.204 -20.055 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.601 -0.872 -18.165 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.263 -0.282 -20.046 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.636 -1.625 -21.032 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.988 -1.342 -19.399 1.00 0.00 H new ATOM 876 N PHE B 56 6.891 -4.412 -21.130 1.00 0.00 N ATOM 877 CA PHE B 56 6.466 -4.839 -22.453 1.00 0.00 C ATOM 878 C PHE B 56 6.075 -3.658 -23.334 1.00 0.00 C ATOM 879 O PHE B 56 5.714 -2.593 -22.831 1.00 0.00 O ATOM 880 CB PHE B 56 5.264 -5.764 -22.291 1.00 0.00 C ATOM 881 CG PHE B 56 5.606 -7.136 -21.766 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.128 -7.325 -20.477 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.391 -8.241 -22.597 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.440 -8.616 -20.029 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.675 -9.529 -22.142 1.00 0.00 C ATOM 886 CZ PHE B 56 6.189 -9.723 -20.854 1.00 0.00 C ATOM 0 H PHE B 56 6.121 -4.302 -20.470 1.00 0.00 H new ATOM 0 HA PHE B 56 7.298 -5.350 -22.938 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.548 -5.296 -21.615 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.768 -5.870 -23.256 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.289 -6.475 -19.830 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.004 -8.096 -23.595 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.873 -8.759 -19.050 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.498 -10.379 -22.785 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.392 -10.722 -20.497 1.00 0.00 H new ATOM 896 N GLU B 57 6.143 -3.840 -24.657 1.00 0.00 N ATOM 897 CA GLU B 57 5.698 -2.841 -25.609 1.00 0.00 C ATOM 898 C GLU B 57 4.170 -2.787 -25.668 1.00 0.00 C ATOM 899 O GLU B 57 3.618 -1.764 -26.071 1.00 0.00 O ATOM 900 CB GLU B 57 6.259 -3.183 -26.985 1.00 0.00 C ATOM 901 CG GLU B 57 7.681 -2.650 -27.152 1.00 0.00 C ATOM 902 CD GLU B 57 8.167 -2.719 -28.598 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.314 -2.718 -29.515 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.402 -2.770 -28.778 1.00 0.00 O ATOM 0 H GLU B 57 6.510 -4.688 -25.089 1.00 0.00 H new ATOM 0 HA GLU B 57 6.059 -1.863 -25.292 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.255 -4.264 -27.123 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.617 -2.760 -27.757 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.721 -1.616 -26.808 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.357 -3.223 -26.517 1.00 0.00 H new ATOM 911 N SER B 58 3.477 -3.864 -25.274 1.00 0.00 N ATOM 912 CA SER B 58 2.024 -3.860 -25.195 1.00 0.00 C ATOM 913 C SER B 58 1.595 -4.183 -23.773 1.00 0.00 C ATOM 914 O SER B 58 2.209 -5.031 -23.122 1.00 0.00 O ATOM 915 CB SER B 58 1.453 -4.861 -26.197 1.00 0.00 C ATOM 916 OG SER B 58 0.060 -5.013 -26.006 1.00 0.00 O ATOM 0 H SER B 58 3.908 -4.749 -25.006 1.00 0.00 H new ATOM 0 HA SER B 58 1.636 -2.874 -25.450 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.652 -4.521 -27.213 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.949 -5.824 -26.081 1.00 0.00 H new ATOM 0 HG SER B 58 -0.291 -5.656 -26.657 1.00 0.00 H new ATOM 922 N PRO B 59 0.546 -3.516 -23.280 1.00 0.00 N ATOM 923 CA PRO B 59 0.064 -3.711 -21.930 1.00 0.00 C ATOM 924 C PRO B 59 -0.673 -5.038 -21.825 1.00 0.00 C ATOM 925 O PRO B 59 -1.007 -5.447 -20.719 1.00 0.00 O ATOM 926 CB PRO B 59 -0.900 -2.554 -21.696 1.00 0.00 C ATOM 927 CG PRO B 59 -1.498 -2.363 -23.080 1.00 0.00 C ATOM 928 CD PRO B 59 -0.271 -2.530 -23.969 1.00 0.00 C ATOM 0 HA PRO B 59 0.871 -3.733 -21.198 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.659 -2.798 -20.953 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.387 -1.659 -21.345 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.267 -3.103 -23.300 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.958 -1.382 -23.196 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.547 -2.871 -24.967 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.263 -1.587 -24.090 1.00 0.00 H new ATOM 936 N ALA B 60 -0.925 -5.707 -22.957 1.00 0.00 N ATOM 937 CA ALA B 60 -1.679 -6.945 -22.981 1.00 0.00 C ATOM 938 C ALA B 60 -0.777 -8.119 -23.341 1.00 0.00 C ATOM 939 O ALA B 60 -1.152 -9.272 -23.137 1.00 0.00 O ATOM 940 CB ALA B 60 -2.865 -6.813 -23.928 1.00 0.00 C ATOM 0 H ALA B 60 -0.608 -5.397 -23.876 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.074 -7.146 -21.985 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.426 -7.747 -23.940 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.513 -6.005 -23.589 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.505 -6.592 -24.933 1.00 0.00 H new ATOM 946 N ASP B 61 0.413 -7.835 -23.869 1.00 0.00 N ATOM 947 CA ASP B 61 1.420 -8.868 -24.021 1.00 0.00 C ATOM 948 C ASP B 61 1.951 -9.193 -22.629 1.00 0.00 C ATOM 949 O ASP B 61 2.385 -10.314 -22.366 1.00 0.00 O ATOM 950 CB ASP B 61 2.551 -8.359 -24.908 1.00 0.00 C ATOM 951 CG ASP B 61 2.176 -8.266 -26.385 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.031 -8.639 -26.730 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.045 -7.819 -27.164 1.00 0.00 O ATOM 0 H ASP B 61 0.695 -6.910 -24.193 1.00 0.00 H new ATOM 0 HA ASP B 61 0.997 -9.758 -24.487 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.861 -7.374 -24.558 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.411 -9.020 -24.801 1.00 0.00 H new ATOM 958 N ALA B 62 1.917 -8.197 -21.739 1.00 0.00 N ATOM 959 CA ALA B 62 2.279 -8.381 -20.350 1.00 0.00 C ATOM 960 C ALA B 62 1.159 -9.096 -19.599 1.00 0.00 C ATOM 961 O ALA B 62 1.432 -9.814 -18.642 1.00 0.00 O ATOM 962 CB ALA B 62 2.551 -7.018 -19.730 1.00 0.00 C ATOM 0 H ALA B 62 1.636 -7.244 -21.971 1.00 0.00 H new ATOM 0 HA ALA B 62 3.175 -8.998 -20.283 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.825 -7.143 -18.682 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.368 -6.532 -20.263 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.655 -6.401 -19.800 1.00 0.00 H new ATOM 968 N LYS B 63 -0.097 -8.915 -20.022 1.00 0.00 N ATOM 969 CA LYS B 63 -1.214 -9.644 -19.438 1.00 0.00 C ATOM 970 C LYS B 63 -1.116 -11.106 -19.831 1.00 0.00 C ATOM 971 O LYS B 63 -1.410 -11.980 -19.025 1.00 0.00 O ATOM 972 CB LYS B 63 -2.544 -9.094 -19.952 1.00 0.00 C ATOM 973 CG LYS B 63 -2.841 -7.714 -19.370 1.00 0.00 C ATOM 974 CD LYS B 63 -4.090 -7.085 -19.997 1.00 0.00 C ATOM 975 CE LYS B 63 -5.309 -7.976 -19.758 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.523 -7.392 -20.356 1.00 0.00 N ATOM 0 H LYS B 63 -0.359 -8.269 -20.767 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.172 -9.532 -18.355 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.518 -9.033 -21.040 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.349 -9.781 -19.690 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.979 -7.797 -18.292 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.985 -7.060 -19.533 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.263 -6.098 -19.568 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.937 -6.945 -21.067 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.130 -8.963 -20.184 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.458 -8.113 -18.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.334 -8.019 -20.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.705 -6.460 -19.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.388 -7.284 -21.382 1.00 0.00 H new ATOM 990 N ASP B 64 -0.699 -11.379 -21.065 1.00 0.00 N ATOM 991 CA ASP B 64 -0.609 -12.741 -21.554 1.00 0.00 C ATOM 992 C ASP B 64 0.513 -13.480 -20.844 1.00 0.00 C ATOM 993 O ASP B 64 0.425 -14.684 -20.625 1.00 0.00 O ATOM 994 CB ASP B 64 -0.357 -12.691 -23.057 1.00 0.00 C ATOM 995 CG ASP B 64 -0.560 -14.057 -23.713 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.679 -14.597 -23.574 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.401 -14.551 -24.342 1.00 0.00 O ATOM 0 H ASP B 64 -0.419 -10.669 -21.742 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.537 -13.277 -21.354 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.029 -11.965 -23.514 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.660 -12.346 -23.244 1.00 0.00 H new ATOM 1002 N ALA B 65 1.571 -12.753 -20.480 1.00 0.00 N ATOM 1003 CA ALA B 65 2.644 -13.317 -19.685 1.00 0.00 C ATOM 1004 C ALA B 65 2.186 -13.477 -18.243 1.00 0.00 C ATOM 1005 O ALA B 65 2.395 -14.521 -17.638 1.00 0.00 O ATOM 1006 CB ALA B 65 3.867 -12.404 -19.745 1.00 0.00 C ATOM 0 H ALA B 65 1.700 -11.772 -20.727 1.00 0.00 H new ATOM 0 HA ALA B 65 2.911 -14.295 -20.085 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.671 -12.832 -19.146 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.198 -12.306 -20.779 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.607 -11.421 -19.353 1.00 0.00 H new ATOM 1012 N ALA B 66 1.552 -12.446 -17.680 1.00 0.00 N ATOM 1013 CA ALA B 66 1.114 -12.465 -16.296 1.00 0.00 C ATOM 1014 C ALA B 66 -0.026 -13.465 -16.082 1.00 0.00 C ATOM 1015 O ALA B 66 -0.409 -13.741 -14.945 1.00 0.00 O ATOM 1016 CB ALA B 66 0.694 -11.043 -15.912 1.00 0.00 C ATOM 0 H ALA B 66 1.332 -11.581 -18.174 1.00 0.00 H new ATOM 0 HA ALA B 66 1.931 -12.794 -15.654 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.360 -11.030 -14.875 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.543 -10.369 -16.028 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.120 -10.717 -16.559 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.564 -14.009 -17.177 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.576 -15.060 -17.165 1.00 0.00 C ATOM 1024 C ARG B 67 -0.996 -16.440 -17.482 1.00 0.00 C ATOM 1025 O ARG B 67 -1.758 -17.393 -17.642 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.681 -14.694 -18.156 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.502 -13.515 -17.631 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.415 -12.926 -18.707 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.370 -13.922 -19.208 1.00 0.00 N ATOM 1030 CZ ARG B 67 -5.282 -14.533 -20.393 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -4.278 -14.273 -21.227 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -6.205 -15.418 -20.758 1.00 0.00 N ATOM 0 H ARG B 67 -0.299 -13.721 -18.119 1.00 0.00 H new ATOM 0 HA ARG B 67 -1.984 -15.128 -16.157 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.243 -14.439 -19.121 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.331 -15.554 -18.319 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.105 -13.842 -16.784 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.829 -12.740 -17.263 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.958 -12.074 -18.298 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.811 -12.552 -19.534 1.00 0.00 H new ATOM 0 HE ARG B 67 -6.158 -14.165 -18.608 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -3.560 -13.598 -20.965 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -4.227 -14.749 -22.128 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -6.982 -15.632 -20.133 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -6.136 -15.883 -21.663 1.00 0.00 H new ATOM 1046 N ASP B 68 0.330 -16.576 -17.580 1.00 0.00 N ATOM 1047 CA ASP B 68 0.965 -17.818 -17.970 1.00 0.00 C ATOM 1048 C ASP B 68 2.092 -18.129 -17.009 1.00 0.00 C ATOM 1049 O ASP B 68 2.203 -19.218 -16.453 1.00 0.00 O ATOM 1050 CB ASP B 68 1.602 -17.571 -19.333 1.00 0.00 C ATOM 1051 CG ASP B 68 0.811 -18.223 -20.468 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.364 -17.843 -20.658 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.398 -19.102 -21.139 1.00 0.00 O ATOM 0 H ASP B 68 0.987 -15.819 -17.388 1.00 0.00 H new ATOM 0 HA ASP B 68 0.241 -18.632 -17.980 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.671 -16.498 -19.511 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.620 -17.960 -19.332 1.00 0.00 H new ATOM 1058 N MET B 69 2.935 -17.112 -16.842 1.00 0.00 N ATOM 1059 CA MET B 69 4.125 -17.138 -16.040 1.00 0.00 C ATOM 1060 C MET B 69 3.809 -16.968 -14.558 1.00 0.00 C ATOM 1061 O MET B 69 4.650 -17.264 -13.711 1.00 0.00 O ATOM 1062 CB MET B 69 4.975 -15.978 -16.534 1.00 0.00 C ATOM 1063 CG MET B 69 5.762 -16.300 -17.798 1.00 0.00 C ATOM 1064 SD MET B 69 6.889 -17.717 -17.675 1.00 0.00 S ATOM 1065 CE MET B 69 7.678 -17.338 -16.086 1.00 0.00 C ATOM 0 H MET B 69 2.786 -16.208 -17.291 1.00 0.00 H new ATOM 0 HA MET B 69 4.637 -18.096 -16.135 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.330 -15.120 -16.725 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.670 -15.685 -15.747 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.056 -16.488 -18.607 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.341 -15.420 -18.079 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.557 -17.969 -15.956 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.978 -16.290 -16.070 1.00 0.00 H new ATOM 0 HE3 MET B 69 6.973 -17.526 -15.276 1.00 0.00 H new ATOM 1075 N ASN B 70 2.606 -16.495 -14.224 1.00 0.00 N ATOM 1076 CA ASN B 70 2.217 -16.331 -12.837 1.00 0.00 C ATOM 1077 C ASN B 70 1.934 -17.704 -12.232 1.00 0.00 C ATOM 1078 O ASN B 70 1.042 -18.415 -12.688 1.00 0.00 O ATOM 1079 CB ASN B 70 1.001 -15.404 -12.764 1.00 0.00 C ATOM 1080 CG ASN B 70 0.566 -15.113 -11.337 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.299 -15.381 -10.388 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.627 -14.558 -11.172 1.00 0.00 N ATOM 0 H ASN B 70 1.892 -16.222 -14.899 1.00 0.00 H new ATOM 0 HA ASN B 70 3.019 -15.872 -12.259 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.235 -14.465 -13.266 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.171 -15.857 -13.306 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.963 -14.340 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.209 -14.349 -11.983 1.00 0.00 H new ATOM 1089 N GLY B 71 2.696 -18.071 -11.198 1.00 0.00 N ATOM 1090 CA GLY B 71 2.542 -19.338 -10.502 1.00 0.00 C ATOM 1091 C GLY B 71 3.456 -20.427 -11.055 1.00 0.00 C ATOM 1092 O GLY B 71 3.551 -21.497 -10.455 1.00 0.00 O ATOM 0 H GLY B 71 3.443 -17.487 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.754 -19.194 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.505 -19.666 -10.578 1.00 0.00 H new ATOM 1096 N LYS B 72 4.132 -20.178 -12.185 1.00 0.00 N ATOM 1097 CA LYS B 72 5.087 -21.126 -12.738 1.00 0.00 C ATOM 1098 C LYS B 72 6.470 -20.910 -12.166 1.00 0.00 C ATOM 1099 O LYS B 72 6.674 -20.021 -11.351 1.00 0.00 O ATOM 1100 CB LYS B 72 5.074 -21.095 -14.256 1.00 0.00 C ATOM 1101 CG LYS B 72 6.094 -20.176 -14.924 1.00 0.00 C ATOM 1102 CD LYS B 72 6.372 -20.746 -16.311 1.00 0.00 C ATOM 1103 CE LYS B 72 5.109 -20.677 -17.164 1.00 0.00 C ATOM 1104 NZ LYS B 72 5.393 -21.017 -18.571 1.00 0.00 N ATOM 0 H LYS B 72 4.029 -19.322 -12.730 1.00 0.00 H new ATOM 0 HA LYS B 72 4.780 -22.129 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.238 -22.109 -14.620 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.078 -20.796 -14.583 1.00 0.00 H new ATOM 0 HG2 LYS B 72 5.707 -19.159 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS B 72 7.011 -20.127 -14.337 1.00 0.00 H new ATOM 0 HD2 LYS B 72 7.175 -20.186 -16.789 1.00 0.00 H new ATOM 0 HD3 LYS B 72 6.709 -21.779 -16.228 1.00 0.00 H new ATOM 0 HE2 LYS B 72 4.361 -21.363 -16.766 1.00 0.00 H new ATOM 0 HE3 LYS B 72 4.684 -19.675 -17.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 4.515 -20.961 -19.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 6.089 -20.347 -18.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 5.775 -21.983 -18.624 1.00 0.00 H new ATOM 1118 N SER B 73 7.414 -21.730 -12.601 1.00 0.00 N ATOM 1119 CA SER B 73 8.785 -21.671 -12.127 1.00 0.00 C ATOM 1120 C SER B 73 9.696 -21.109 -13.206 1.00 0.00 C ATOM 1121 O SER B 73 9.469 -21.330 -14.397 1.00 0.00 O ATOM 1122 CB SER B 73 9.196 -23.074 -11.707 1.00 0.00 C ATOM 1123 OG SER B 73 10.546 -23.096 -11.302 1.00 0.00 O ATOM 0 H SER B 73 7.248 -22.458 -13.296 1.00 0.00 H new ATOM 0 HA SER B 73 8.869 -21.002 -11.270 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.560 -23.416 -10.890 1.00 0.00 H new ATOM 0 HB3 SER B 73 9.048 -23.766 -12.537 1.00 0.00 H new ATOM 0 HG SER B 73 10.838 -24.024 -11.187 1.00 0.00 H new ATOM 1129 N LEU B 74 10.729 -20.377 -12.782 1.00 0.00 N ATOM 1130 CA LEU B 74 11.620 -19.724 -13.731 1.00 0.00 C ATOM 1131 C LEU B 74 12.834 -20.593 -14.008 1.00 0.00 C ATOM 1132 O LEU B 74 13.051 -21.051 -15.126 1.00 0.00 O ATOM 1133 CB LEU B 74 12.053 -18.352 -13.204 1.00 0.00 C ATOM 1134 CG LEU B 74 12.425 -17.356 -14.305 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.540 -17.841 -15.230 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.183 -17.049 -15.134 1.00 0.00 C ATOM 0 H LEU B 74 10.963 -20.225 -11.801 1.00 0.00 H new ATOM 0 HA LEU B 74 11.079 -19.580 -14.666 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.245 -17.932 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.908 -18.481 -12.540 1.00 0.00 H new ATOM 0 HG LEU B 74 12.806 -16.465 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.745 -17.080 -15.983 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.442 -18.027 -14.647 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.230 -18.763 -15.722 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.437 -16.340 -15.922 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.808 -17.969 -15.582 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.415 -16.618 -14.492 1.00 0.00 H new ATOM 1148 N ASP B 75 13.620 -20.808 -12.958 1.00 0.00 N ATOM 1149 CA ASP B 75 14.868 -21.535 -13.040 1.00 0.00 C ATOM 1150 C ASP B 75 14.874 -22.692 -12.064 1.00 0.00 C ATOM 1151 O ASP B 75 15.878 -23.384 -11.897 1.00 0.00 O ATOM 1152 CB ASP B 75 16.011 -20.579 -12.723 1.00 0.00 C ATOM 1153 CG ASP B 75 17.345 -21.077 -13.276 1.00 0.00 C ATOM 1154 OD1 ASP B 75 17.373 -21.450 -14.470 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.328 -21.078 -12.503 1.00 0.00 O ATOM 0 H ASP B 75 13.400 -20.476 -12.019 1.00 0.00 H new ATOM 0 HA ASP B 75 14.988 -21.939 -14.045 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.789 -19.597 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.090 -20.454 -11.643 1.00 0.00 H new ATOM 1160 N GLY B 76 13.731 -22.893 -11.419 1.00 0.00 N ATOM 1161 CA GLY B 76 13.582 -23.927 -10.423 1.00 0.00 C ATOM 1162 C GLY B 76 12.733 -23.453 -9.252 1.00 0.00 C ATOM 1163 O GLY B 76 12.317 -24.258 -8.420 1.00 0.00 O ATOM 0 H GLY B 76 12.888 -22.341 -11.577 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.122 -24.806 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.565 -24.231 -10.062 1.00 0.00 H new ATOM 1167 N LYS B 77 12.480 -22.140 -9.196 1.00 0.00 N ATOM 1168 CA LYS B 77 11.715 -21.515 -8.134 1.00 0.00 C ATOM 1169 C LYS B 77 10.439 -20.920 -8.707 1.00 0.00 C ATOM 1170 O LYS B 77 10.475 -20.246 -9.735 1.00 0.00 O ATOM 1171 CB LYS B 77 12.570 -20.459 -7.433 1.00 0.00 C ATOM 1172 CG LYS B 77 13.912 -21.040 -6.967 1.00 0.00 C ATOM 1173 CD LYS B 77 13.748 -22.225 -6.011 1.00 0.00 C ATOM 1174 CE LYS B 77 15.089 -22.943 -5.881 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.005 -24.057 -4.915 1.00 0.00 N ATOM 0 H LYS B 77 12.810 -21.481 -9.901 1.00 0.00 H new ATOM 0 HA LYS B 77 11.432 -22.260 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.749 -19.625 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.027 -20.061 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.486 -21.358 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.489 -20.258 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.410 -21.878 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS B 77 12.988 -22.910 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.396 -23.324 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.854 -22.236 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 15.930 -24.527 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 14.734 -23.687 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.291 -24.742 -5.236 1.00 0.00 H new ATOM 1189 N ALA B 78 9.314 -21.176 -8.038 1.00 0.00 N ATOM 1190 CA ALA B 78 8.014 -20.727 -8.509 1.00 0.00 C ATOM 1191 C ALA B 78 7.843 -19.229 -8.280 1.00 0.00 C ATOM 1192 O ALA B 78 8.200 -18.722 -7.217 1.00 0.00 O ATOM 1193 CB ALA B 78 6.915 -21.534 -7.823 1.00 0.00 C ATOM 0 H ALA B 78 9.283 -21.697 -7.162 1.00 0.00 H new ATOM 0 HA ALA B 78 7.942 -20.895 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.941 -21.196 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.040 -22.591 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA B 78 6.978 -21.391 -6.744 1.00 0.00 H new ATOM 1199 N ILE B 79 7.297 -18.527 -9.275 1.00 0.00 N ATOM 1200 CA ILE B 79 7.201 -17.080 -9.247 1.00 0.00 C ATOM 1201 C ILE B 79 5.770 -16.563 -9.211 1.00 0.00 C ATOM 1202 O ILE B 79 4.805 -17.324 -9.300 1.00 0.00 O ATOM 1203 CB ILE B 79 7.939 -16.475 -10.449 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.157 -16.676 -11.751 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.341 -17.062 -10.571 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.802 -15.903 -12.897 1.00 0.00 C ATOM 0 H ILE B 79 6.912 -18.952 -10.118 1.00 0.00 H new ATOM 0 HA ILE B 79 7.671 -16.765 -8.316 1.00 0.00 H new ATOM 0 HB ILE B 79 8.024 -15.402 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.120 -17.737 -11.998 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.128 -16.344 -11.617 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.847 -16.620 -11.429 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.906 -16.845 -9.665 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.273 -18.141 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.229 -16.061 -13.811 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.815 -14.840 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.823 -16.255 -13.044 1.00 0.00 H new ATOM 1218 N LYS B 80 5.663 -15.237 -9.079 1.00 0.00 N ATOM 1219 CA LYS B 80 4.442 -14.471 -9.226 1.00 0.00 C ATOM 1220 C LYS B 80 4.658 -13.471 -10.354 1.00 0.00 C ATOM 1221 O LYS B 80 5.754 -12.928 -10.482 1.00 0.00 O ATOM 1222 CB LYS B 80 4.138 -13.708 -7.936 1.00 0.00 C ATOM 1223 CG LYS B 80 2.715 -13.141 -7.987 1.00 0.00 C ATOM 1224 CD LYS B 80 2.468 -12.180 -6.821 1.00 0.00 C ATOM 1225 CE LYS B 80 1.014 -11.715 -6.793 1.00 0.00 C ATOM 1226 NZ LYS B 80 0.093 -12.830 -6.495 1.00 0.00 N ATOM 0 H LYS B 80 6.468 -14.651 -8.857 1.00 0.00 H new ATOM 0 HA LYS B 80 3.607 -15.137 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.244 -14.371 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.856 -12.899 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.560 -12.620 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.993 -13.957 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.714 -12.673 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.128 -11.317 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.896 -10.934 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.754 -11.274 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -0.829 -12.449 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -0.029 -13.416 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.488 -13.411 -5.728 1.00 0.00 H new ATOM 1240 N VAL B 81 3.623 -13.227 -11.157 1.00 0.00 N ATOM 1241 CA VAL B 81 3.695 -12.216 -12.200 1.00 0.00 C ATOM 1242 C VAL B 81 2.419 -11.389 -12.178 1.00 0.00 C ATOM 1243 O VAL B 81 1.315 -11.931 -12.223 1.00 0.00 O ATOM 1244 CB VAL B 81 3.938 -12.863 -13.564 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.073 -11.785 -14.635 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.232 -13.671 -13.533 1.00 0.00 C ATOM 0 H VAL B 81 2.730 -13.716 -11.102 1.00 0.00 H new ATOM 0 HA VAL B 81 4.539 -11.552 -12.014 1.00 0.00 H new ATOM 0 HB VAL B 81 3.094 -13.514 -13.792 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.246 -12.254 -15.604 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.157 -11.196 -14.676 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.913 -11.134 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.398 -14.129 -14.508 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.067 -13.012 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.156 -14.450 -12.774 1.00 0.00 H new ATOM 1256 N GLU B 82 2.584 -10.069 -12.103 1.00 0.00 N ATOM 1257 CA GLU B 82 1.470 -9.142 -11.966 1.00 0.00 C ATOM 1258 C GLU B 82 1.940 -7.756 -12.391 1.00 0.00 C ATOM 1259 O GLU B 82 3.145 -7.523 -12.454 1.00 0.00 O ATOM 1260 CB GLU B 82 1.033 -9.142 -10.496 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.205 -8.285 -10.231 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.381 -8.710 -11.108 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -2.126 -9.622 -10.684 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.525 -8.114 -12.200 1.00 0.00 O ATOM 0 H GLU B 82 3.497 -9.615 -12.136 1.00 0.00 H new ATOM 0 HA GLU B 82 0.627 -9.434 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.830 -10.167 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.856 -8.779 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.486 -8.365 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.030 -7.237 -10.419 1.00 0.00 H new ATOM 1271 N GLN B 83 1.031 -6.823 -12.682 1.00 0.00 N ATOM 1272 CA GLN B 83 1.432 -5.455 -12.962 1.00 0.00 C ATOM 1273 C GLN B 83 2.130 -4.908 -11.715 1.00 0.00 C ATOM 1274 O GLN B 83 1.627 -5.056 -10.602 1.00 0.00 O ATOM 1275 CB GLN B 83 0.190 -4.642 -13.338 1.00 0.00 C ATOM 1276 CG GLN B 83 0.402 -3.130 -13.286 1.00 0.00 C ATOM 1277 CD GLN B 83 1.375 -2.597 -14.329 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.372 -3.021 -15.483 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.217 -1.653 -13.918 1.00 0.00 N ATOM 0 H GLN B 83 0.026 -6.992 -12.728 1.00 0.00 H new ATOM 0 HA GLN B 83 2.126 -5.396 -13.800 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.124 -4.921 -14.344 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.624 -4.908 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.560 -2.635 -13.418 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.766 -2.860 -12.295 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.187 -1.329 -12.951 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.893 -1.254 -14.569 1.00 0.00 H new ATOM 1288 N ALA B 84 3.291 -4.279 -11.899 1.00 0.00 N ATOM 1289 CA ALA B 84 4.111 -3.845 -10.781 1.00 0.00 C ATOM 1290 C ALA B 84 3.599 -2.552 -10.158 1.00 0.00 C ATOM 1291 O ALA B 84 2.868 -1.789 -10.790 1.00 0.00 O ATOM 1292 CB ALA B 84 5.546 -3.657 -11.261 1.00 0.00 C ATOM 0 H ALA B 84 3.681 -4.061 -12.816 1.00 0.00 H new ATOM 0 HA ALA B 84 4.065 -4.614 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.169 -3.331 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.926 -4.601 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.571 -2.904 -12.049 1.00 0.00 H new ATOM 1298 N THR B 85 3.996 -2.315 -8.907 1.00 0.00 N ATOM 1299 CA THR B 85 3.739 -1.050 -8.237 1.00 0.00 C ATOM 1300 C THR B 85 5.053 -0.361 -7.920 1.00 0.00 C ATOM 1301 O THR B 85 6.119 -0.979 -7.958 1.00 0.00 O ATOM 1302 CB THR B 85 2.919 -1.218 -6.959 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.544 -2.136 -6.091 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.512 -1.728 -7.273 1.00 0.00 C ATOM 0 H THR B 85 4.501 -2.993 -8.337 1.00 0.00 H new ATOM 0 HA THR B 85 3.149 -0.437 -8.919 1.00 0.00 H new ATOM 0 HB THR B 85 2.852 -0.240 -6.483 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.008 -2.232 -5.276 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.950 -1.839 -6.346 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.003 -1.016 -7.923 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.578 -2.694 -7.774 1.00 0.00 H new