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 Set 1.1: B 16 ASN : amide:sc= -4.51! C(o=-3.7!,f=-6.1!) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 170:sc= 0.794 (180deg=-0.0495) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 THR OG1 : rot 89:sc= 1.22 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.024 USER MOD Single : B 20 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.027) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 160:sc= -0.914 USER MOD Single : B 40 MET CE :methyl -132:sc= -0.298 (180deg=-2.51!) 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= 0.0134 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -145:sc= -2.23! (180deg=-3.1!) USER MOD Single : B 70 ASN : amide:sc= 0.351 K(o=0.35,f=-4!) USER MOD Single : B 72 LYS NZ :NH3+ -154:sc= 1.16 (180deg=0.527) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0651 USER MOD Single : B 80 LYS NZ :NH3+ 164:sc=-0.00797 (180deg=-0.257) USER MOD Single : B 83 GLN : amide:sc= 0.00366 X(o=0.0037,f=-0.3) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.201 -2.465 -18.734 1.00 0.00 N ATOM 112 CA GLY B 8 3.294 -3.051 -19.480 1.00 0.00 C ATOM 113 C GLY B 8 4.440 -3.393 -18.551 1.00 0.00 C ATOM 114 O GLY B 8 5.342 -4.117 -18.959 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.952 -3.950 -19.993 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.634 -2.355 -20.247 1.00 0.00 H new ATOM 118 N LYS B 9 4.413 -2.887 -17.313 1.00 0.00 N ATOM 119 CA LYS B 9 5.464 -3.196 -16.369 1.00 0.00 C ATOM 120 C LYS B 9 4.978 -4.297 -15.449 1.00 0.00 C ATOM 121 O LYS B 9 3.916 -4.189 -14.845 1.00 0.00 O ATOM 122 CB LYS B 9 5.919 -1.960 -15.601 1.00 0.00 C ATOM 123 CG LYS B 9 7.075 -2.377 -14.691 1.00 0.00 C ATOM 124 CD LYS B 9 7.575 -1.214 -13.847 1.00 0.00 C ATOM 125 CE LYS B 9 8.264 -0.169 -14.729 1.00 0.00 C ATOM 126 NZ LYS B 9 8.654 1.019 -13.945 1.00 0.00 N ATOM 0 H LYS B 9 3.682 -2.272 -16.956 1.00 0.00 H new ATOM 0 HA LYS B 9 6.345 -3.546 -16.908 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.238 -1.178 -16.290 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.097 -1.551 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.750 -3.187 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.894 -2.765 -15.297 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.740 -0.757 -13.316 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.272 -1.578 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.147 -0.607 -15.194 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.594 0.128 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.118 1.710 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.807 1.449 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.312 0.737 -13.191 1.00 0.00 H new ATOM 140 N LEU B 10 5.767 -5.360 -15.346 1.00 0.00 N ATOM 141 CA LEU B 10 5.388 -6.518 -14.566 1.00 0.00 C ATOM 142 C LEU B 10 6.293 -6.652 -13.355 1.00 0.00 C ATOM 143 O LEU B 10 7.430 -6.185 -13.367 1.00 0.00 O ATOM 144 CB LEU B 10 5.492 -7.759 -15.445 1.00 0.00 C ATOM 145 CG LEU B 10 4.476 -7.806 -16.587 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.709 -9.121 -17.327 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.037 -7.790 -16.086 1.00 0.00 C ATOM 0 H LEU B 10 6.678 -5.438 -15.798 1.00 0.00 H new ATOM 0 HA LEU B 10 4.363 -6.405 -14.214 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.496 -7.810 -15.865 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.362 -8.644 -14.822 1.00 0.00 H new ATOM 0 HG LEU B 10 4.612 -6.929 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.005 -9.202 -18.155 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.728 -9.146 -17.713 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.561 -9.955 -16.642 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.355 -7.825 -16.936 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.865 -8.656 -15.447 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.860 -6.878 -15.516 1.00 0.00 H new ATOM 159 N PHE B 11 5.777 -7.297 -12.313 1.00 0.00 N ATOM 160 CA PHE B 11 6.524 -7.654 -11.128 1.00 0.00 C ATOM 161 C PHE B 11 6.734 -9.159 -11.156 1.00 0.00 C ATOM 162 O PHE B 11 5.773 -9.912 -11.301 1.00 0.00 O ATOM 163 CB PHE B 11 5.746 -7.242 -9.882 1.00 0.00 C ATOM 164 CG PHE B 11 6.313 -7.840 -8.620 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.517 -7.349 -8.098 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.639 -8.887 -7.974 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.049 -7.905 -6.929 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.172 -9.437 -6.800 1.00 0.00 C ATOM 169 CZ PHE B 11 7.378 -8.947 -6.281 1.00 0.00 C ATOM 0 H PHE B 11 4.801 -7.590 -12.276 1.00 0.00 H new ATOM 0 HA PHE B 11 7.486 -7.142 -11.105 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.750 -6.155 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.706 -7.549 -9.990 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.034 -6.543 -8.597 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.713 -9.268 -8.380 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.978 -7.529 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.653 -10.239 -6.295 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.790 -9.375 -5.379 1.00 0.00 H new ATOM 179 N ILE B 12 7.987 -9.591 -11.017 1.00 0.00 N ATOM 180 CA ILE B 12 8.350 -10.990 -11.122 1.00 0.00 C ATOM 181 C ILE B 12 8.954 -11.447 -9.797 1.00 0.00 C ATOM 182 O ILE B 12 10.173 -11.519 -9.665 1.00 0.00 O ATOM 183 CB ILE B 12 9.334 -11.197 -12.287 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.071 -10.348 -13.543 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.334 -12.675 -12.660 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.702 -10.551 -14.185 1.00 0.00 C ATOM 0 H ILE B 12 8.776 -8.973 -10.828 1.00 0.00 H new ATOM 0 HA ILE B 12 7.464 -11.590 -11.329 1.00 0.00 H new ATOM 0 HB ILE B 12 10.304 -10.858 -11.923 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.180 -9.296 -13.281 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.839 -10.573 -14.283 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.026 -12.842 -13.485 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.645 -13.267 -11.800 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.330 -12.974 -12.962 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.613 -9.910 -15.062 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.592 -11.593 -14.485 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.922 -10.295 -13.468 1.00 0.00 H new ATOM 198 N GLY B 13 8.115 -11.755 -8.803 1.00 0.00 N ATOM 199 CA GLY B 13 8.613 -12.103 -7.477 1.00 0.00 C ATOM 200 C GLY B 13 8.744 -13.610 -7.276 1.00 0.00 C ATOM 201 O GLY B 13 7.922 -14.368 -7.780 1.00 0.00 O ATOM 0 H GLY B 13 7.099 -11.769 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.585 -11.634 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.940 -11.697 -6.722 1.00 0.00 H new ATOM 205 N GLY B 14 9.772 -14.046 -6.547 1.00 0.00 N ATOM 206 CA GLY B 14 9.941 -15.441 -6.165 1.00 0.00 C ATOM 207 C GLY B 14 10.974 -16.135 -7.045 1.00 0.00 C ATOM 208 O GLY B 14 11.088 -17.359 -7.022 1.00 0.00 O ATOM 0 H GLY B 14 10.513 -13.434 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.251 -15.500 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.986 -15.960 -6.243 1.00 0.00 H new ATOM 212 N LEU B 15 11.727 -15.358 -7.826 1.00 0.00 N ATOM 213 CA LEU B 15 12.705 -15.890 -8.759 1.00 0.00 C ATOM 214 C LEU B 15 13.881 -16.537 -8.033 1.00 0.00 C ATOM 215 O LEU B 15 14.094 -16.320 -6.841 1.00 0.00 O ATOM 216 CB LEU B 15 13.236 -14.759 -9.636 1.00 0.00 C ATOM 217 CG LEU B 15 12.181 -14.130 -10.539 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.701 -12.792 -11.050 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.974 -15.047 -11.737 1.00 0.00 C ATOM 0 H LEU B 15 11.671 -14.340 -7.824 1.00 0.00 H new ATOM 0 HA LEU B 15 12.210 -16.650 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.661 -13.985 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.048 -15.142 -10.254 1.00 0.00 H new ATOM 0 HG LEU B 15 11.250 -13.988 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.953 -12.334 -11.697 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.902 -12.133 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.620 -12.950 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.222 -14.617 -12.399 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.914 -15.156 -12.278 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.638 -16.025 -11.393 1.00 0.00 H new ATOM 231 N ASN B 16 14.640 -17.340 -8.779 1.00 0.00 N ATOM 232 CA ASN B 16 15.825 -17.999 -8.285 1.00 0.00 C ATOM 233 C ASN B 16 16.978 -17.007 -8.118 1.00 0.00 C ATOM 234 O ASN B 16 16.982 -15.943 -8.735 1.00 0.00 O ATOM 235 CB ASN B 16 16.166 -19.094 -9.279 1.00 0.00 C ATOM 236 CG ASN B 16 17.149 -20.114 -8.755 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.513 -20.123 -7.583 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.575 -20.985 -9.653 1.00 0.00 N ATOM 0 H ASN B 16 14.436 -17.547 -9.757 1.00 0.00 H new ATOM 0 HA ASN B 16 15.650 -18.425 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.248 -19.605 -9.570 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.577 -18.638 -10.180 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.239 -21.711 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.239 -20.932 -10.615 1.00 0.00 H new ATOM 245 N THR B 17 17.961 -17.359 -7.289 1.00 0.00 N ATOM 246 CA THR B 17 19.166 -16.562 -7.092 1.00 0.00 C ATOM 247 C THR B 17 20.081 -16.683 -8.307 1.00 0.00 C ATOM 248 O THR B 17 21.080 -15.976 -8.419 1.00 0.00 O ATOM 249 CB THR B 17 19.902 -17.047 -5.842 1.00 0.00 C ATOM 250 OG1 THR B 17 20.290 -18.394 -5.991 1.00 0.00 O ATOM 251 CG2 THR B 17 18.984 -16.970 -4.626 1.00 0.00 C ATOM 0 H THR B 17 17.940 -18.213 -6.732 1.00 0.00 H new ATOM 0 HA THR B 17 18.884 -15.517 -6.965 1.00 0.00 H new ATOM 0 HB THR B 17 20.776 -16.411 -5.706 1.00 0.00 H new ATOM 0 HG1 THR B 17 21.178 -18.435 -6.403 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.520 -17.318 -3.743 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.666 -15.938 -4.475 1.00 0.00 H new ATOM 0 HG23 THR B 17 18.109 -17.599 -4.790 1.00 0.00 H new ATOM 259 N GLU B 18 19.720 -17.594 -9.215 1.00 0.00 N ATOM 260 CA GLU B 18 20.516 -17.959 -10.372 1.00 0.00 C ATOM 261 C GLU B 18 19.993 -17.260 -11.621 1.00 0.00 C ATOM 262 O GLU B 18 20.644 -17.273 -12.664 1.00 0.00 O ATOM 263 CB GLU B 18 20.455 -19.478 -10.536 1.00 0.00 C ATOM 264 CG GLU B 18 20.574 -20.199 -9.190 1.00 0.00 C ATOM 265 CD GLU B 18 21.950 -19.986 -8.558 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.108 -18.987 -7.820 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.836 -20.831 -8.818 1.00 0.00 O ATOM 0 H GLU B 18 18.841 -18.107 -9.157 1.00 0.00 H new ATOM 0 HA GLU B 18 21.550 -17.645 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.516 -19.755 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.258 -19.805 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.801 -19.836 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.399 -21.266 -9.331 1.00 0.00 H new ATOM 274 N THR B 19 18.810 -16.645 -11.515 1.00 0.00 N ATOM 275 CA THR B 19 18.179 -15.948 -12.625 1.00 0.00 C ATOM 276 C THR B 19 18.809 -14.572 -12.782 1.00 0.00 C ATOM 277 O THR B 19 19.172 -13.934 -11.798 1.00 0.00 O ATOM 278 CB THR B 19 16.676 -15.814 -12.370 1.00 0.00 C ATOM 279 OG1 THR B 19 16.120 -17.083 -12.113 1.00 0.00 O ATOM 280 CG2 THR B 19 15.960 -15.218 -13.581 1.00 0.00 C ATOM 0 H THR B 19 18.267 -16.620 -10.652 1.00 0.00 H new ATOM 0 HA THR B 19 18.328 -16.517 -13.543 1.00 0.00 H new ATOM 0 HB THR B 19 16.545 -15.154 -11.513 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.158 -16.992 -11.949 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.894 -15.135 -13.369 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.366 -14.229 -13.793 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.109 -15.864 -14.446 1.00 0.00 H new ATOM 288 N ASN B 20 18.931 -14.115 -14.028 1.00 0.00 N ATOM 289 CA ASN B 20 19.398 -12.770 -14.321 1.00 0.00 C ATOM 290 C ASN B 20 18.513 -12.163 -15.398 1.00 0.00 C ATOM 291 O ASN B 20 17.459 -12.699 -15.728 1.00 0.00 O ATOM 292 CB ASN B 20 20.856 -12.757 -14.782 1.00 0.00 C ATOM 293 CG ASN B 20 21.649 -13.963 -14.322 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.166 -13.999 -13.212 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.744 -14.960 -15.191 1.00 0.00 N ATOM 0 H ASN B 20 18.709 -14.668 -14.856 1.00 0.00 H new ATOM 0 HA ASN B 20 19.341 -12.183 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.884 -12.708 -15.871 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.338 -11.853 -14.410 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.265 -15.802 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.296 -14.885 -16.104 1.00 0.00 H new ATOM 302 N GLU B 21 18.958 -11.036 -15.946 1.00 0.00 N ATOM 303 CA GLU B 21 18.179 -10.274 -16.908 1.00 0.00 C ATOM 304 C GLU B 21 18.102 -11.011 -18.238 1.00 0.00 C ATOM 305 O GLU B 21 17.101 -10.911 -18.939 1.00 0.00 O ATOM 306 CB GLU B 21 18.833 -8.909 -17.097 1.00 0.00 C ATOM 307 CG GLU B 21 18.740 -8.126 -15.796 1.00 0.00 C ATOM 308 CD GLU B 21 19.593 -6.861 -15.847 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.076 -5.832 -16.338 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.756 -6.931 -15.392 1.00 0.00 O ATOM 0 H GLU B 21 19.869 -10.628 -15.734 1.00 0.00 H new ATOM 0 HA GLU B 21 17.163 -10.148 -16.535 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.876 -9.029 -17.389 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.338 -8.363 -17.900 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.701 -7.859 -15.603 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.066 -8.754 -14.967 1.00 0.00 H new ATOM 317 N LYS B 22 19.149 -11.761 -18.596 1.00 0.00 N ATOM 318 CA LYS B 22 19.191 -12.470 -19.862 1.00 0.00 C ATOM 319 C LYS B 22 18.096 -13.534 -19.897 1.00 0.00 C ATOM 320 O LYS B 22 17.540 -13.829 -20.954 1.00 0.00 O ATOM 321 CB LYS B 22 20.588 -13.088 -20.011 1.00 0.00 C ATOM 322 CG LYS B 22 21.060 -13.232 -21.463 1.00 0.00 C ATOM 323 CD LYS B 22 20.134 -14.080 -22.337 1.00 0.00 C ATOM 324 CE LYS B 22 20.820 -14.361 -23.672 1.00 0.00 C ATOM 325 NZ LYS B 22 19.959 -15.159 -24.564 1.00 0.00 N ATOM 0 H LYS B 22 19.979 -11.888 -18.017 1.00 0.00 H new ATOM 0 HA LYS B 22 19.009 -11.792 -20.696 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.305 -12.473 -19.467 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.590 -14.071 -19.541 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.151 -12.240 -21.905 1.00 0.00 H new ATOM 0 HG3 LYS B 22 22.055 -13.676 -21.468 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.896 -15.017 -21.833 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.191 -13.558 -22.502 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.074 -13.419 -24.157 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.756 -14.892 -23.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 20.455 -15.332 -25.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.737 -16.068 -24.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 19.077 -14.641 -24.750 1.00 0.00 H new ATOM 339 N ALA B 23 17.774 -14.117 -18.738 1.00 0.00 N ATOM 340 CA ALA B 23 16.819 -15.209 -18.676 1.00 0.00 C ATOM 341 C ALA B 23 15.413 -14.635 -18.573 1.00 0.00 C ATOM 342 O ALA B 23 14.429 -15.294 -18.896 1.00 0.00 O ATOM 343 CB ALA B 23 17.147 -16.090 -17.470 1.00 0.00 C ATOM 0 H ALA B 23 18.164 -13.846 -17.835 1.00 0.00 H new ATOM 0 HA ALA B 23 16.876 -15.821 -19.576 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.434 -16.913 -17.416 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.156 -16.490 -17.575 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.085 -15.496 -16.558 1.00 0.00 H new ATOM 349 N LEU B 24 15.335 -13.388 -18.111 1.00 0.00 N ATOM 350 CA LEU B 24 14.107 -12.666 -17.862 1.00 0.00 C ATOM 351 C LEU B 24 13.640 -11.996 -19.143 1.00 0.00 C ATOM 352 O LEU B 24 12.447 -11.777 -19.338 1.00 0.00 O ATOM 353 CB LEU B 24 14.469 -11.656 -16.773 1.00 0.00 C ATOM 354 CG LEU B 24 13.874 -12.114 -15.451 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.617 -11.485 -14.285 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.413 -11.701 -15.349 1.00 0.00 C ATOM 0 H LEU B 24 16.166 -12.838 -17.894 1.00 0.00 H new ATOM 0 HA LEU B 24 13.283 -13.304 -17.541 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.552 -11.568 -16.687 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.088 -10.669 -17.035 1.00 0.00 H new ATOM 0 HG LEU B 24 13.962 -13.200 -15.413 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.177 -11.825 -13.347 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.666 -11.779 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.542 -10.399 -14.349 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.005 -12.038 -14.396 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.336 -10.616 -15.413 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.849 -12.153 -16.165 1.00 0.00 H new ATOM 368 N GLU B 25 14.582 -11.671 -20.023 1.00 0.00 N ATOM 369 CA GLU B 25 14.239 -11.159 -21.338 1.00 0.00 C ATOM 370 C GLU B 25 13.876 -12.308 -22.271 1.00 0.00 C ATOM 371 O GLU B 25 13.074 -12.156 -23.190 1.00 0.00 O ATOM 372 CB GLU B 25 15.435 -10.433 -21.946 1.00 0.00 C ATOM 373 CG GLU B 25 15.671 -9.126 -21.215 1.00 0.00 C ATOM 374 CD GLU B 25 16.777 -8.309 -21.880 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.961 -8.597 -21.596 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.433 -7.397 -22.665 1.00 0.00 O ATOM 0 H GLU B 25 15.583 -11.754 -19.847 1.00 0.00 H new ATOM 0 HA GLU B 25 13.395 -10.479 -21.224 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.324 -11.061 -21.882 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.256 -10.241 -23.004 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.749 -8.546 -21.197 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.940 -9.330 -20.179 1.00 0.00 H new ATOM 383 N ALA B 26 14.488 -13.459 -22.013 1.00 0.00 N ATOM 384 CA ALA B 26 14.347 -14.643 -22.841 1.00 0.00 C ATOM 385 C ALA B 26 13.053 -15.386 -22.540 1.00 0.00 C ATOM 386 O ALA B 26 12.562 -16.138 -23.380 1.00 0.00 O ATOM 387 CB ALA B 26 15.534 -15.549 -22.545 1.00 0.00 C ATOM 0 H ALA B 26 15.104 -13.594 -21.211 1.00 0.00 H new ATOM 0 HA ALA B 26 14.318 -14.351 -23.891 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.462 -16.452 -23.151 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.460 -15.025 -22.783 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.531 -15.819 -21.489 1.00 0.00 H new ATOM 393 N VAL B 27 12.503 -15.175 -21.344 1.00 0.00 N ATOM 394 CA VAL B 27 11.334 -15.903 -20.889 1.00 0.00 C ATOM 395 C VAL B 27 10.057 -15.082 -20.989 1.00 0.00 C ATOM 396 O VAL B 27 8.990 -15.608 -21.287 1.00 0.00 O ATOM 397 CB VAL B 27 11.607 -16.333 -19.460 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.460 -15.185 -18.483 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.664 -17.439 -19.027 1.00 0.00 C ATOM 0 H VAL B 27 12.859 -14.496 -20.671 1.00 0.00 H new ATOM 0 HA VAL B 27 11.167 -16.768 -21.531 1.00 0.00 H new ATOM 0 HB VAL B 27 12.637 -16.691 -19.447 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.665 -15.539 -17.472 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.166 -14.395 -18.741 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.444 -14.794 -18.532 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.886 -17.724 -17.999 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.635 -17.086 -19.092 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.793 -18.303 -19.679 1.00 0.00 H new ATOM 409 N PHE B 28 10.163 -13.777 -20.743 1.00 0.00 N ATOM 410 CA PHE B 28 9.021 -12.892 -20.895 1.00 0.00 C ATOM 411 C PHE B 28 8.973 -12.304 -22.300 1.00 0.00 C ATOM 412 O PHE B 28 7.981 -11.684 -22.677 1.00 0.00 O ATOM 413 CB PHE B 28 9.026 -11.816 -19.815 1.00 0.00 C ATOM 414 CG PHE B 28 8.739 -12.370 -18.443 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.416 -12.590 -18.034 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.794 -12.677 -17.579 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.154 -13.123 -16.764 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.537 -13.214 -16.312 1.00 0.00 C ATOM 419 CZ PHE B 28 8.215 -13.433 -15.904 1.00 0.00 C ATOM 0 H PHE B 28 11.022 -13.317 -20.441 1.00 0.00 H new ATOM 0 HA PHE B 28 8.108 -13.473 -20.764 1.00 0.00 H new ATOM 0 HB2 PHE B 28 9.996 -11.320 -19.807 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.282 -11.058 -20.059 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.599 -12.349 -18.697 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.813 -12.499 -17.891 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.135 -13.294 -16.449 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.355 -13.459 -15.651 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.014 -13.842 -14.925 1.00 0.00 H new ATOM 429 N GLY B 29 10.037 -12.496 -23.084 1.00 0.00 N ATOM 430 CA GLY B 29 10.041 -12.063 -24.475 1.00 0.00 C ATOM 431 C GLY B 29 9.196 -13.007 -25.325 1.00 0.00 C ATOM 432 O GLY B 29 9.013 -12.779 -26.519 1.00 0.00 O ATOM 0 H GLY B 29 10.900 -12.946 -22.778 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.650 -11.048 -24.548 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.063 -12.039 -24.853 1.00 0.00 H new ATOM 436 N LYS B 30 8.687 -14.072 -24.696 1.00 0.00 N ATOM 437 CA LYS B 30 7.872 -15.093 -25.330 1.00 0.00 C ATOM 438 C LYS B 30 6.428 -14.635 -25.472 1.00 0.00 C ATOM 439 O LYS B 30 5.640 -15.250 -26.187 1.00 0.00 O ATOM 440 CB LYS B 30 7.937 -16.342 -24.453 1.00 0.00 C ATOM 441 CG LYS B 30 9.386 -16.818 -24.343 1.00 0.00 C ATOM 442 CD LYS B 30 9.571 -17.972 -23.351 1.00 0.00 C ATOM 443 CE LYS B 30 8.438 -18.990 -23.439 1.00 0.00 C ATOM 444 NZ LYS B 30 8.714 -20.162 -22.582 1.00 0.00 N ATOM 0 H LYS B 30 8.840 -14.245 -23.702 1.00 0.00 H new ATOM 0 HA LYS B 30 8.249 -15.297 -26.332 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.539 -16.124 -23.462 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.316 -17.130 -24.879 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.733 -17.134 -25.327 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.014 -15.981 -24.037 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.521 -18.469 -23.547 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.623 -17.574 -22.338 1.00 0.00 H new ATOM 0 HE2 LYS B 30 7.501 -18.524 -23.134 1.00 0.00 H new ATOM 0 HE3 LYS B 30 8.312 -19.312 -24.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 7.929 -20.840 -22.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.597 -20.617 -22.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 8.810 -19.854 -21.593 1.00 0.00 H new ATOM 458 N TYR B 31 6.094 -13.550 -24.779 1.00 0.00 N ATOM 459 CA TYR B 31 4.743 -13.016 -24.746 1.00 0.00 C ATOM 460 C TYR B 31 4.627 -11.663 -25.444 1.00 0.00 C ATOM 461 O TYR B 31 3.522 -11.257 -25.799 1.00 0.00 O ATOM 462 CB TYR B 31 4.331 -12.913 -23.280 1.00 0.00 C ATOM 463 CG TYR B 31 4.420 -14.237 -22.554 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.435 -15.210 -22.757 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.495 -14.491 -21.686 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.543 -16.457 -22.132 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.609 -15.737 -21.048 1.00 0.00 C ATOM 468 CZ TYR B 31 4.647 -16.739 -21.303 1.00 0.00 C ATOM 469 OH TYR B 31 4.769 -17.984 -20.759 1.00 0.00 O ATOM 0 H TYR B 31 6.761 -13.016 -24.222 1.00 0.00 H new ATOM 0 HA TYR B 31 4.078 -13.684 -25.294 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.968 -12.185 -22.778 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.309 -12.538 -23.219 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.591 -14.998 -23.397 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.236 -13.726 -21.509 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.779 -17.205 -22.285 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.426 -15.927 -20.368 1.00 0.00 H new ATOM 0 HH TYR B 31 5.699 -18.134 -20.490 1.00 0.00 H new ATOM 479 N GLY B 32 5.746 -10.959 -25.646 1.00 0.00 N ATOM 480 CA GLY B 32 5.729 -9.648 -26.276 1.00 0.00 C ATOM 481 C GLY B 32 7.116 -9.071 -26.457 1.00 0.00 C ATOM 482 O GLY B 32 8.091 -9.569 -25.894 1.00 0.00 O ATOM 0 H GLY B 32 6.675 -11.283 -25.379 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.241 -9.722 -27.248 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.132 -8.966 -25.671 1.00 0.00 H new ATOM 486 N ARG B 33 7.197 -8.006 -27.256 1.00 0.00 N ATOM 487 CA ARG B 33 8.449 -7.324 -27.486 1.00 0.00 C ATOM 488 C ARG B 33 8.792 -6.521 -26.244 1.00 0.00 C ATOM 489 O ARG B 33 8.068 -5.608 -25.860 1.00 0.00 O ATOM 490 CB ARG B 33 8.320 -6.451 -28.728 1.00 0.00 C ATOM 491 CG ARG B 33 9.690 -6.335 -29.385 1.00 0.00 C ATOM 492 CD ARG B 33 9.576 -5.543 -30.683 1.00 0.00 C ATOM 493 NE ARG B 33 10.850 -5.523 -31.411 1.00 0.00 N ATOM 494 CZ ARG B 33 11.808 -4.602 -31.252 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.657 -3.593 -30.397 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.932 -4.691 -31.957 1.00 0.00 N ATOM 0 H ARG B 33 6.401 -7.604 -27.751 1.00 0.00 H new ATOM 0 HA ARG B 33 9.261 -8.028 -27.667 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.603 -6.886 -29.424 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.945 -5.464 -28.459 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.387 -5.842 -28.708 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.091 -7.328 -29.588 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.802 -5.982 -31.312 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.265 -4.522 -30.462 1.00 0.00 H new ATOM 0 HE ARG B 33 11.018 -6.267 -32.089 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.800 -3.512 -29.850 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.398 -2.901 -30.289 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.061 -5.459 -32.616 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.665 -3.991 -31.839 1.00 0.00 H new ATOM 510 N ILE B 34 9.905 -6.878 -25.627 1.00 0.00 N ATOM 511 CA ILE B 34 10.400 -6.197 -24.441 1.00 0.00 C ATOM 512 C ILE B 34 11.039 -4.864 -24.819 1.00 0.00 C ATOM 513 O ILE B 34 11.693 -4.755 -25.854 1.00 0.00 O ATOM 514 CB ILE B 34 11.382 -7.122 -23.712 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.599 -8.346 -23.219 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.062 -6.395 -22.550 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.462 -9.284 -22.381 1.00 0.00 C ATOM 0 H ILE B 34 10.494 -7.652 -25.935 1.00 0.00 H new ATOM 0 HA ILE B 34 9.575 -5.970 -23.766 1.00 0.00 H new ATOM 0 HB ILE B 34 12.174 -7.437 -24.391 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.746 -8.015 -22.627 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.201 -8.890 -24.076 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.753 -7.074 -22.050 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.611 -5.534 -22.931 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.307 -6.058 -21.840 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.864 -10.135 -22.055 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.301 -9.638 -22.980 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.839 -8.750 -21.509 1.00 0.00 H new ATOM 529 N VAL B 35 10.841 -3.852 -23.970 1.00 0.00 N ATOM 530 CA VAL B 35 11.462 -2.544 -24.131 1.00 0.00 C ATOM 531 C VAL B 35 12.472 -2.299 -23.013 1.00 0.00 C ATOM 532 O VAL B 35 13.387 -1.496 -23.169 1.00 0.00 O ATOM 533 CB VAL B 35 10.418 -1.417 -24.160 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.523 -0.678 -25.491 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.973 -1.893 -23.990 1.00 0.00 C ATOM 0 H VAL B 35 10.241 -3.922 -23.148 1.00 0.00 H new ATOM 0 HA VAL B 35 11.979 -2.540 -25.091 1.00 0.00 H new ATOM 0 HB VAL B 35 10.642 -0.774 -23.309 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.786 0.124 -25.521 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.523 -0.256 -25.595 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.336 -1.374 -26.309 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.301 -1.035 -24.022 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.720 -2.583 -24.795 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.868 -2.401 -23.031 1.00 0.00 H new ATOM 545 N GLU B 36 12.309 -2.994 -21.882 1.00 0.00 N ATOM 546 CA GLU B 36 13.214 -2.894 -20.747 1.00 0.00 C ATOM 547 C GLU B 36 13.032 -4.107 -19.835 1.00 0.00 C ATOM 548 O GLU B 36 11.941 -4.666 -19.757 1.00 0.00 O ATOM 549 CB GLU B 36 12.909 -1.603 -19.980 1.00 0.00 C ATOM 550 CG GLU B 36 13.842 -1.420 -18.785 1.00 0.00 C ATOM 551 CD GLU B 36 13.633 -0.057 -18.131 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.244 0.919 -18.619 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.860 -0.002 -17.147 1.00 0.00 O ATOM 0 H GLU B 36 11.538 -3.645 -21.734 1.00 0.00 H new ATOM 0 HA GLU B 36 14.247 -2.872 -21.095 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.006 -0.750 -20.651 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.875 -1.621 -19.635 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.662 -2.209 -18.055 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.878 -1.516 -19.110 1.00 0.00 H new ATOM 560 N VAL B 37 14.097 -4.516 -19.143 1.00 0.00 N ATOM 561 CA VAL B 37 14.012 -5.547 -18.115 1.00 0.00 C ATOM 562 C VAL B 37 14.829 -5.128 -16.907 1.00 0.00 C ATOM 563 O VAL B 37 15.861 -4.469 -17.029 1.00 0.00 O ATOM 564 CB VAL B 37 14.447 -6.922 -18.647 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.069 -7.815 -17.571 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.214 -7.659 -19.165 1.00 0.00 C ATOM 0 H VAL B 37 15.036 -4.143 -19.280 1.00 0.00 H new ATOM 0 HA VAL B 37 12.970 -5.652 -17.813 1.00 0.00 H new ATOM 0 HB VAL B 37 15.192 -6.735 -19.420 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.354 -8.770 -18.011 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.952 -7.327 -17.159 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.344 -7.985 -16.775 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.508 -8.637 -19.546 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.498 -7.786 -18.353 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.754 -7.081 -19.967 1.00 0.00 H new ATOM 576 N LEU B 38 14.343 -5.539 -15.737 1.00 0.00 N ATOM 577 CA LEU B 38 15.023 -5.346 -14.468 1.00 0.00 C ATOM 578 C LEU B 38 15.221 -6.695 -13.811 1.00 0.00 C ATOM 579 O LEU B 38 14.493 -7.644 -14.092 1.00 0.00 O ATOM 580 CB LEU B 38 14.146 -4.467 -13.586 1.00 0.00 C ATOM 581 CG LEU B 38 14.507 -2.982 -13.674 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.483 -2.176 -12.888 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.881 -2.694 -13.076 1.00 0.00 C ATOM 0 H LEU B 38 13.450 -6.023 -15.648 1.00 0.00 H new ATOM 0 HA LEU B 38 15.993 -4.871 -14.616 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.103 -4.599 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.236 -4.796 -12.551 1.00 0.00 H new ATOM 0 HG LEU B 38 14.516 -2.707 -14.729 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.732 -1.116 -12.945 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.491 -2.339 -13.309 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.491 -2.495 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.098 -1.629 -13.159 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.889 -2.985 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.639 -3.262 -13.616 1.00 0.00 H new ATOM 595 N LEU B 39 16.213 -6.767 -12.932 1.00 0.00 N ATOM 596 CA LEU B 39 16.425 -7.918 -12.090 1.00 0.00 C ATOM 597 C LEU B 39 17.137 -7.393 -10.856 1.00 0.00 C ATOM 598 O LEU B 39 18.231 -6.841 -10.965 1.00 0.00 O ATOM 599 CB LEU B 39 17.247 -8.943 -12.870 1.00 0.00 C ATOM 600 CG LEU B 39 17.579 -10.259 -12.163 1.00 0.00 C ATOM 601 CD1 LEU B 39 18.759 -10.116 -11.215 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.423 -10.879 -11.395 1.00 0.00 C ATOM 0 H LEU B 39 16.892 -6.020 -12.789 1.00 0.00 H new ATOM 0 HA LEU B 39 15.507 -8.423 -11.789 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.709 -9.179 -13.788 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.185 -8.471 -13.163 1.00 0.00 H new ATOM 0 HG LEU B 39 17.827 -10.932 -12.984 1.00 0.00 H new ATOM 0 HD11 LEU B 39 18.959 -11.074 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.639 -9.800 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.526 -9.371 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.753 -11.807 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.084 -10.186 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.602 -11.089 -12.080 1.00 0.00 H new ATOM 614 N MET B 40 16.520 -7.561 -9.689 1.00 0.00 N ATOM 615 CA MET B 40 17.019 -6.893 -8.504 1.00 0.00 C ATOM 616 C MET B 40 17.977 -7.807 -7.760 1.00 0.00 C ATOM 617 O MET B 40 17.746 -9.014 -7.708 1.00 0.00 O ATOM 618 CB MET B 40 15.855 -6.425 -7.626 1.00 0.00 C ATOM 619 CG MET B 40 14.698 -5.796 -8.409 1.00 0.00 C ATOM 620 SD MET B 40 15.108 -4.900 -9.929 1.00 0.00 S ATOM 621 CE MET B 40 16.284 -3.675 -9.313 1.00 0.00 C ATOM 0 H MET B 40 15.693 -8.141 -9.545 1.00 0.00 H new ATOM 0 HA MET B 40 17.576 -6.002 -8.793 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.476 -7.275 -7.059 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.228 -5.700 -6.903 1.00 0.00 H new ATOM 0 HG2 MET B 40 13.995 -6.588 -8.665 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.176 -5.109 -7.744 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.015 -2.689 -9.693 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.259 -3.663 -8.223 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.288 -3.933 -9.650 1.00 0.00 H new ATOM 631 N LYS B 41 19.049 -7.255 -7.184 1.00 0.00 N ATOM 632 CA LYS B 41 19.992 -8.075 -6.448 1.00 0.00 C ATOM 633 C LYS B 41 20.516 -7.419 -5.179 1.00 0.00 C ATOM 634 O LYS B 41 20.396 -6.211 -4.983 1.00 0.00 O ATOM 635 CB LYS B 41 21.181 -8.486 -7.309 1.00 0.00 C ATOM 636 CG LYS B 41 20.932 -8.529 -8.817 1.00 0.00 C ATOM 637 CD LYS B 41 22.269 -8.806 -9.505 1.00 0.00 C ATOM 638 CE LYS B 41 22.091 -8.823 -11.022 1.00 0.00 C ATOM 639 NZ LYS B 41 23.382 -9.021 -11.707 1.00 0.00 N ATOM 0 H LYS B 41 19.276 -6.261 -7.216 1.00 0.00 H new ATOM 0 HA LYS B 41 19.418 -8.955 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.001 -7.794 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.514 -9.473 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.208 -9.306 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.514 -7.583 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS B 41 22.995 -8.042 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.668 -9.763 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.402 -9.620 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.643 -7.885 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.231 -9.028 -12.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.030 -8.247 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.796 -9.928 -11.411 1.00 0.00 H new ATOM 765 N ARG B 49 17.678 -10.403 -5.300 1.00 0.00 N ATOM 766 CA ARG B 49 16.709 -10.063 -4.265 1.00 0.00 C ATOM 767 C ARG B 49 15.551 -11.055 -4.339 1.00 0.00 C ATOM 768 O ARG B 49 14.700 -11.091 -3.452 1.00 0.00 O ATOM 769 CB ARG B 49 16.177 -8.649 -4.501 1.00 0.00 C ATOM 770 CG ARG B 49 17.251 -7.567 -4.404 1.00 0.00 C ATOM 771 CD ARG B 49 17.290 -6.868 -3.046 1.00 0.00 C ATOM 772 NE ARG B 49 16.052 -6.125 -2.786 1.00 0.00 N ATOM 773 CZ ARG B 49 15.678 -5.700 -1.577 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.422 -5.949 -0.504 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.546 -5.017 -1.427 1.00 0.00 N ATOM 0 HA ARG B 49 17.184 -10.108 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.715 -8.603 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.394 -8.438 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.225 -8.014 -4.602 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.078 -6.823 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.443 -7.607 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.139 -6.185 -3.012 1.00 0.00 H new ATOM 0 HE ARG B 49 15.440 -5.921 -3.576 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.293 -6.472 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.122 -5.617 0.413 1.00 0.00 H new ATOM 0 HH21 ARG B 49 13.960 -4.816 -2.238 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.264 -4.694 -0.501 1.00 0.00 H new ATOM 789 N GLY B 50 15.531 -11.855 -5.407 1.00 0.00 N ATOM 790 CA GLY B 50 14.494 -12.847 -5.634 1.00 0.00 C ATOM 791 C GLY B 50 13.262 -12.254 -6.313 1.00 0.00 C ATOM 792 O GLY B 50 12.277 -12.960 -6.503 1.00 0.00 O ATOM 0 H GLY B 50 16.241 -11.828 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.894 -13.652 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.203 -13.290 -4.681 1.00 0.00 H new ATOM 796 N PHE B 51 13.290 -10.971 -6.686 1.00 0.00 N ATOM 797 CA PHE B 51 12.207 -10.385 -7.460 1.00 0.00 C ATOM 798 C PHE B 51 12.778 -9.490 -8.550 1.00 0.00 C ATOM 799 O PHE B 51 13.933 -9.072 -8.476 1.00 0.00 O ATOM 800 CB PHE B 51 11.224 -9.644 -6.552 1.00 0.00 C ATOM 801 CG PHE B 51 11.764 -8.391 -5.903 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.520 -8.482 -4.727 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.499 -7.139 -6.470 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.007 -7.319 -4.117 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.979 -5.978 -5.856 1.00 0.00 C ATOM 806 CZ PHE B 51 12.748 -6.069 -4.693 1.00 0.00 C ATOM 0 H PHE B 51 14.049 -10.327 -6.463 1.00 0.00 H new ATOM 0 HA PHE B 51 11.641 -11.180 -7.946 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.343 -9.380 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.894 -10.326 -5.768 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.727 -9.448 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.924 -7.070 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.581 -7.386 -3.205 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.755 -5.011 -6.281 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.144 -5.173 -4.237 1.00 0.00 H new ATOM 816 N ALA B 52 11.968 -9.196 -9.568 1.00 0.00 N ATOM 817 CA ALA B 52 12.423 -8.460 -10.732 1.00 0.00 C ATOM 818 C ALA B 52 11.262 -7.748 -11.420 1.00 0.00 C ATOM 819 O ALA B 52 10.125 -7.813 -10.952 1.00 0.00 O ATOM 820 CB ALA B 52 13.063 -9.465 -11.688 1.00 0.00 C ATOM 0 H ALA B 52 10.984 -9.463 -9.602 1.00 0.00 H new ATOM 0 HA ALA B 52 13.140 -7.696 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.418 -8.945 -12.578 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.903 -9.953 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.325 -10.214 -11.975 1.00 0.00 H new ATOM 826 N PHE B 53 11.555 -7.070 -12.532 1.00 0.00 N ATOM 827 CA PHE B 53 10.553 -6.334 -13.286 1.00 0.00 C ATOM 828 C PHE B 53 10.828 -6.453 -14.782 1.00 0.00 C ATOM 829 O PHE B 53 11.939 -6.789 -15.192 1.00 0.00 O ATOM 830 CB PHE B 53 10.539 -4.868 -12.839 1.00 0.00 C ATOM 831 CG PHE B 53 10.246 -4.686 -11.373 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.279 -4.850 -10.447 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.951 -4.360 -10.945 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.017 -4.718 -9.079 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.689 -4.227 -9.578 1.00 0.00 C ATOM 836 CZ PHE B 53 9.719 -4.413 -8.645 1.00 0.00 C ATOM 0 H PHE B 53 12.493 -7.019 -12.930 1.00 0.00 H new ATOM 0 HA PHE B 53 9.569 -6.760 -13.091 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.506 -4.419 -13.066 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.792 -4.327 -13.420 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.278 -5.078 -10.787 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.161 -4.213 -11.667 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.812 -4.851 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.693 -3.981 -9.241 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.512 -4.321 -7.589 1.00 0.00 H new ATOM 846 N VAL B 54 9.821 -6.182 -15.609 1.00 0.00 N ATOM 847 CA VAL B 54 9.975 -6.203 -17.059 1.00 0.00 C ATOM 848 C VAL B 54 8.959 -5.268 -17.692 1.00 0.00 C ATOM 849 O VAL B 54 7.819 -5.207 -17.245 1.00 0.00 O ATOM 850 CB VAL B 54 9.812 -7.629 -17.599 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.578 -8.327 -17.100 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.818 -7.670 -19.126 1.00 0.00 C ATOM 0 H VAL B 54 8.881 -5.943 -15.294 1.00 0.00 H new ATOM 0 HA VAL B 54 10.978 -5.862 -17.316 1.00 0.00 H new ATOM 0 HB VAL B 54 10.680 -8.164 -17.214 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.531 -9.330 -17.524 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.613 -8.394 -16.013 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.695 -7.764 -17.401 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.700 -8.700 -19.463 1.00 0.00 H new ATOM 0 HG22 VAL B 54 8.995 -7.066 -19.509 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.763 -7.273 -19.497 1.00 0.00 H new ATOM 862 N THR B 55 9.376 -4.545 -18.733 1.00 0.00 N ATOM 863 CA THR B 55 8.495 -3.649 -19.462 1.00 0.00 C ATOM 864 C THR B 55 8.265 -4.167 -20.871 1.00 0.00 C ATOM 865 O THR B 55 9.208 -4.347 -21.640 1.00 0.00 O ATOM 866 CB THR B 55 9.053 -2.225 -19.498 1.00 0.00 C ATOM 867 OG1 THR B 55 9.342 -1.789 -18.185 1.00 0.00 O ATOM 868 CG2 THR B 55 8.010 -1.284 -20.098 1.00 0.00 C ATOM 0 H THR B 55 10.332 -4.568 -19.089 1.00 0.00 H new ATOM 0 HA THR B 55 7.540 -3.617 -18.938 1.00 0.00 H new ATOM 0 HB THR B 55 9.961 -2.218 -20.101 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.701 -0.877 -18.214 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.407 -0.269 -20.124 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.770 -1.606 -21.111 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.107 -1.305 -19.488 1.00 0.00 H new ATOM 876 N PHE B 56 6.995 -4.399 -21.200 1.00 0.00 N ATOM 877 CA PHE B 56 6.570 -4.829 -22.522 1.00 0.00 C ATOM 878 C PHE B 56 6.198 -3.644 -23.409 1.00 0.00 C ATOM 879 O PHE B 56 5.845 -2.575 -22.912 1.00 0.00 O ATOM 880 CB PHE B 56 5.354 -5.738 -22.369 1.00 0.00 C ATOM 881 CG PHE B 56 5.664 -7.113 -21.832 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.167 -7.299 -20.535 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.437 -8.217 -22.660 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.441 -8.593 -20.073 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.687 -9.508 -22.189 1.00 0.00 C ATOM 886 CZ PHE B 56 6.175 -9.699 -20.890 1.00 0.00 C ATOM 0 H PHE B 56 6.224 -4.290 -20.541 1.00 0.00 H new ATOM 0 HA PHE B 56 7.398 -5.356 -22.996 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.637 -5.256 -21.705 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.869 -5.842 -23.340 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.342 -6.447 -19.895 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.068 -8.071 -23.665 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.857 -8.738 -19.087 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.504 -10.360 -22.827 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.346 -10.699 -20.519 1.00 0.00 H new ATOM 896 N GLU B 57 6.273 -3.831 -24.732 1.00 0.00 N ATOM 897 CA GLU B 57 5.833 -2.834 -25.683 1.00 0.00 C ATOM 898 C GLU B 57 4.308 -2.753 -25.735 1.00 0.00 C ATOM 899 O GLU B 57 3.770 -1.725 -26.143 1.00 0.00 O ATOM 900 CB GLU B 57 6.386 -3.192 -27.061 1.00 0.00 C ATOM 901 CG GLU B 57 7.817 -2.687 -27.235 1.00 0.00 C ATOM 902 CD GLU B 57 8.290 -2.746 -28.685 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.431 -2.741 -29.595 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.528 -2.800 -28.876 1.00 0.00 O ATOM 0 H GLU B 57 6.641 -4.680 -25.161 1.00 0.00 H new ATOM 0 HA GLU B 57 6.205 -1.858 -25.371 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.361 -4.273 -27.195 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.750 -2.760 -27.834 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.881 -1.659 -26.878 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.486 -3.283 -26.614 1.00 0.00 H new ATOM 911 N SER B 58 3.600 -3.816 -25.329 1.00 0.00 N ATOM 912 CA SER B 58 2.147 -3.784 -25.243 1.00 0.00 C ATOM 913 C SER B 58 1.708 -4.083 -23.819 1.00 0.00 C ATOM 914 O SER B 58 2.296 -4.941 -23.160 1.00 0.00 O ATOM 915 CB SER B 58 1.564 -4.785 -26.233 1.00 0.00 C ATOM 916 OG SER B 58 0.176 -4.928 -26.026 1.00 0.00 O ATOM 0 H SER B 58 4.017 -4.706 -25.056 1.00 0.00 H new ATOM 0 HA SER B 58 1.777 -2.792 -25.502 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.754 -4.450 -27.253 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.057 -5.750 -26.117 1.00 0.00 H new ATOM 0 HG SER B 58 -0.186 -5.572 -26.670 1.00 0.00 H new ATOM 922 N PRO B 59 0.675 -3.387 -23.329 1.00 0.00 N ATOM 923 CA PRO B 59 0.174 -3.558 -21.982 1.00 0.00 C ATOM 924 C PRO B 59 -0.647 -4.836 -21.881 1.00 0.00 C ATOM 925 O PRO B 59 -1.133 -5.147 -20.799 1.00 0.00 O ATOM 926 CB PRO B 59 -0.720 -2.349 -21.747 1.00 0.00 C ATOM 927 CG PRO B 59 -1.308 -2.125 -23.129 1.00 0.00 C ATOM 928 CD PRO B 59 -0.101 -2.378 -24.028 1.00 0.00 C ATOM 0 HA PRO B 59 0.978 -3.633 -21.250 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.490 -2.549 -21.002 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.155 -1.485 -21.398 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.127 -2.813 -23.341 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.701 -1.115 -23.247 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.408 -2.727 -25.014 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.478 -1.467 -24.179 1.00 0.00 H new ATOM 936 N ALA B 60 -0.809 -5.569 -22.987 1.00 0.00 N ATOM 937 CA ALA B 60 -1.573 -6.801 -23.008 1.00 0.00 C ATOM 938 C ALA B 60 -0.690 -7.991 -23.374 1.00 0.00 C ATOM 939 O ALA B 60 -1.078 -9.135 -23.147 1.00 0.00 O ATOM 940 CB ALA B 60 -2.761 -6.653 -23.950 1.00 0.00 C ATOM 0 H ALA B 60 -0.409 -5.316 -23.891 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.959 -6.999 -22.008 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.333 -7.581 -23.963 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.399 -5.839 -23.606 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.403 -6.433 -24.956 1.00 0.00 H new ATOM 946 N ASP B 61 0.497 -7.740 -23.934 1.00 0.00 N ATOM 947 CA ASP B 61 1.475 -8.797 -24.095 1.00 0.00 C ATOM 948 C ASP B 61 2.010 -9.138 -22.709 1.00 0.00 C ATOM 949 O ASP B 61 2.430 -10.265 -22.449 1.00 0.00 O ATOM 950 CB ASP B 61 2.618 -8.313 -24.984 1.00 0.00 C ATOM 951 CG ASP B 61 2.239 -8.197 -26.462 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.095 -8.565 -26.814 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.107 -7.738 -27.237 1.00 0.00 O ATOM 0 H ASP B 61 0.793 -6.826 -24.276 1.00 0.00 H new ATOM 0 HA ASP B 61 1.023 -9.673 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.957 -7.341 -24.627 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.459 -9.000 -24.886 1.00 0.00 H new ATOM 958 N ALA B 62 1.986 -8.147 -21.815 1.00 0.00 N ATOM 959 CA ALA B 62 2.375 -8.323 -20.432 1.00 0.00 C ATOM 960 C ALA B 62 1.275 -9.039 -19.651 1.00 0.00 C ATOM 961 O ALA B 62 1.564 -9.742 -18.687 1.00 0.00 O ATOM 962 CB ALA B 62 2.649 -6.950 -19.832 1.00 0.00 C ATOM 0 H ALA B 62 1.693 -7.197 -22.042 1.00 0.00 H new ATOM 0 HA ALA B 62 3.273 -8.938 -20.376 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.944 -7.061 -18.789 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.452 -6.464 -20.386 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.747 -6.341 -19.891 1.00 0.00 H new ATOM 968 N LYS B 63 0.014 -8.869 -20.061 1.00 0.00 N ATOM 969 CA LYS B 63 -1.101 -9.569 -19.438 1.00 0.00 C ATOM 970 C LYS B 63 -1.058 -11.030 -19.857 1.00 0.00 C ATOM 971 O LYS B 63 -1.332 -11.918 -19.060 1.00 0.00 O ATOM 972 CB LYS B 63 -2.427 -8.941 -19.874 1.00 0.00 C ATOM 973 CG LYS B 63 -2.526 -7.509 -19.351 1.00 0.00 C ATOM 974 CD LYS B 63 -3.752 -6.764 -19.890 1.00 0.00 C ATOM 975 CE LYS B 63 -5.043 -7.445 -19.433 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.232 -6.724 -19.934 1.00 0.00 N ATOM 0 H LYS B 63 -0.255 -8.249 -20.825 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.021 -9.492 -18.354 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.500 -8.945 -20.962 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.261 -9.533 -19.496 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.567 -7.527 -18.262 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.624 -6.963 -19.627 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.737 -5.731 -19.543 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.716 -6.735 -20.979 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.061 -8.474 -19.791 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.071 -7.485 -18.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.094 -7.207 -19.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.225 -5.749 -19.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.215 -6.707 -20.974 1.00 0.00 H new ATOM 990 N ASP B 64 -0.708 -11.283 -21.118 1.00 0.00 N ATOM 991 CA ASP B 64 -0.656 -12.634 -21.640 1.00 0.00 C ATOM 992 C ASP B 64 0.460 -13.425 -20.975 1.00 0.00 C ATOM 993 O ASP B 64 0.396 -14.649 -20.909 1.00 0.00 O ATOM 994 CB ASP B 64 -0.412 -12.534 -23.139 1.00 0.00 C ATOM 995 CG ASP B 64 -0.631 -13.872 -23.844 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.770 -14.383 -23.758 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.339 -14.366 -24.461 1.00 0.00 O ATOM 0 H ASP B 64 -0.457 -10.561 -21.794 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.591 -13.155 -21.436 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.079 -11.785 -23.566 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.607 -12.192 -23.319 1.00 0.00 H new ATOM 1002 N ALA B 65 1.481 -12.717 -20.485 1.00 0.00 N ATOM 1003 CA ALA B 65 2.527 -13.331 -19.684 1.00 0.00 C ATOM 1004 C ALA B 65 2.078 -13.428 -18.232 1.00 0.00 C ATOM 1005 O ALA B 65 2.277 -14.450 -17.582 1.00 0.00 O ATOM 1006 CB ALA B 65 3.805 -12.500 -19.778 1.00 0.00 C ATOM 0 H ALA B 65 1.600 -11.715 -20.633 1.00 0.00 H new ATOM 0 HA ALA B 65 2.724 -14.334 -20.063 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.586 -12.964 -19.176 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.130 -12.449 -20.817 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.612 -11.493 -19.408 1.00 0.00 H new ATOM 1012 N ALA B 66 1.464 -12.366 -17.706 1.00 0.00 N ATOM 1013 CA ALA B 66 1.088 -12.311 -16.306 1.00 0.00 C ATOM 1014 C ALA B 66 -0.123 -13.189 -15.996 1.00 0.00 C ATOM 1015 O ALA B 66 -0.490 -13.347 -14.831 1.00 0.00 O ATOM 1016 CB ALA B 66 0.849 -10.849 -15.932 1.00 0.00 C ATOM 0 H ALA B 66 1.219 -11.531 -18.239 1.00 0.00 H new ATOM 0 HA ALA B 66 1.898 -12.715 -15.699 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.565 -10.784 -14.882 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.762 -10.277 -16.097 1.00 0.00 H new ATOM 0 HB3 ALA B 66 0.049 -10.441 -16.550 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.753 -13.768 -17.024 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.794 -14.775 -16.866 1.00 0.00 C ATOM 1024 C ARG B 67 -1.312 -16.173 -17.251 1.00 0.00 C ATOM 1025 O ARG B 67 -2.124 -17.097 -17.310 1.00 0.00 O ATOM 1026 CB ARG B 67 -3.021 -14.375 -17.686 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.859 -13.324 -16.952 1.00 0.00 C ATOM 1028 CD ARG B 67 -3.321 -11.898 -17.055 1.00 0.00 C ATOM 1029 NE ARG B 67 -4.082 -10.971 -16.209 1.00 0.00 N ATOM 1030 CZ ARG B 67 -3.629 -10.434 -15.071 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -2.428 -10.743 -14.590 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -4.381 -9.571 -14.399 1.00 0.00 N ATOM 0 H ARG B 67 -0.548 -13.544 -17.998 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.062 -14.820 -15.810 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.704 -13.981 -18.652 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.631 -15.256 -17.886 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.874 -13.345 -17.349 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -3.923 -13.599 -15.899 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -2.272 -11.882 -16.761 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.366 -11.566 -18.092 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.023 -10.718 -16.510 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -1.832 -11.402 -15.091 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -2.103 -10.321 -13.720 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -5.304 -9.317 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -4.036 -9.161 -13.531 1.00 0.00 H new ATOM 1046 N ASP B 68 -0.014 -16.351 -17.515 1.00 0.00 N ATOM 1047 CA ASP B 68 0.514 -17.616 -17.981 1.00 0.00 C ATOM 1048 C ASP B 68 1.662 -18.041 -17.086 1.00 0.00 C ATOM 1049 O ASP B 68 1.672 -19.136 -16.526 1.00 0.00 O ATOM 1050 CB ASP B 68 1.076 -17.370 -19.375 1.00 0.00 C ATOM 1051 CG ASP B 68 0.150 -17.884 -20.475 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -1.046 -17.524 -20.448 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.648 -18.639 -21.341 1.00 0.00 O ATOM 0 H ASP B 68 0.689 -15.620 -17.409 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.260 -18.383 -17.978 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.242 -16.302 -19.513 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.047 -17.858 -19.464 1.00 0.00 H new ATOM 1058 N MET B 69 2.626 -17.133 -16.976 1.00 0.00 N ATOM 1059 CA MET B 69 3.839 -17.295 -16.217 1.00 0.00 C ATOM 1060 C MET B 69 3.604 -17.059 -14.729 1.00 0.00 C ATOM 1061 O MET B 69 4.483 -17.335 -13.913 1.00 0.00 O ATOM 1062 CB MET B 69 4.822 -16.283 -16.790 1.00 0.00 C ATOM 1063 CG MET B 69 5.730 -16.907 -17.845 1.00 0.00 C ATOM 1064 SD MET B 69 6.748 -18.297 -17.287 1.00 0.00 S ATOM 1065 CE MET B 69 7.583 -17.446 -15.935 1.00 0.00 C ATOM 0 H MET B 69 2.570 -16.226 -17.439 1.00 0.00 H new ATOM 0 HA MET B 69 4.222 -18.312 -16.296 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.272 -15.452 -17.230 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.430 -15.872 -15.985 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.111 -17.245 -18.676 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.390 -16.131 -18.234 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.606 -17.812 -15.852 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.595 -16.374 -16.132 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.053 -17.637 -15.002 1.00 0.00 H new ATOM 1075 N ASN B 70 2.425 -16.551 -14.361 1.00 0.00 N ATOM 1076 CA ASN B 70 2.101 -16.323 -12.964 1.00 0.00 C ATOM 1077 C ASN B 70 1.834 -17.661 -12.280 1.00 0.00 C ATOM 1078 O ASN B 70 1.028 -18.461 -12.755 1.00 0.00 O ATOM 1079 CB ASN B 70 0.901 -15.381 -12.880 1.00 0.00 C ATOM 1080 CG ASN B 70 0.552 -15.011 -11.444 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.360 -15.180 -10.534 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.655 -14.503 -11.232 1.00 0.00 N ATOM 0 H ASN B 70 1.686 -16.293 -15.014 1.00 0.00 H new ATOM 0 HA ASN B 70 2.935 -15.851 -12.445 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.115 -14.473 -13.444 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.038 -15.853 -13.351 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.938 -14.238 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.300 -14.377 -12.012 1.00 0.00 H new ATOM 1089 N GLY B 71 2.513 -17.897 -11.157 1.00 0.00 N ATOM 1090 CA GLY B 71 2.347 -19.113 -10.371 1.00 0.00 C ATOM 1091 C GLY B 71 3.229 -20.247 -10.890 1.00 0.00 C ATOM 1092 O GLY B 71 3.301 -21.307 -10.268 1.00 0.00 O ATOM 0 H GLY B 71 3.195 -17.246 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.593 -18.909 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.302 -19.423 -10.397 1.00 0.00 H new ATOM 1096 N LYS B 72 3.900 -20.035 -12.028 1.00 0.00 N ATOM 1097 CA LYS B 72 4.863 -20.949 -12.595 1.00 0.00 C ATOM 1098 C LYS B 72 6.206 -20.766 -11.909 1.00 0.00 C ATOM 1099 O LYS B 72 6.271 -20.341 -10.758 1.00 0.00 O ATOM 1100 CB LYS B 72 4.960 -20.649 -14.084 1.00 0.00 C ATOM 1101 CG LYS B 72 3.603 -20.707 -14.790 1.00 0.00 C ATOM 1102 CD LYS B 72 2.933 -22.063 -14.589 1.00 0.00 C ATOM 1103 CE LYS B 72 1.670 -22.142 -15.440 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.641 -21.189 -14.979 1.00 0.00 N ATOM 0 H LYS B 72 3.774 -19.192 -12.588 1.00 0.00 H new ATOM 0 HA LYS B 72 4.557 -21.985 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.395 -19.659 -14.223 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.638 -21.364 -14.551 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.956 -19.918 -14.405 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.736 -20.519 -15.855 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.620 -22.863 -14.865 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.684 -22.204 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.919 -21.934 -16.481 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.270 -23.155 -15.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.301 -21.540 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 0.695 -21.093 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.803 -20.262 -15.422 1.00 0.00 H new ATOM 1118 N SER B 73 7.274 -21.093 -12.629 1.00 0.00 N ATOM 1119 CA SER B 73 8.613 -21.116 -12.078 1.00 0.00 C ATOM 1120 C SER B 73 9.652 -20.568 -13.032 1.00 0.00 C ATOM 1121 O SER B 73 9.449 -20.515 -14.248 1.00 0.00 O ATOM 1122 CB SER B 73 8.894 -22.569 -11.724 1.00 0.00 C ATOM 1123 OG SER B 73 10.122 -22.708 -11.045 1.00 0.00 O ATOM 0 H SER B 73 7.229 -21.350 -13.615 1.00 0.00 H new ATOM 0 HA SER B 73 8.673 -20.468 -11.204 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.087 -22.955 -11.101 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.910 -23.169 -12.634 1.00 0.00 H new ATOM 0 HG SER B 73 10.272 -23.652 -10.830 1.00 0.00 H new ATOM 1129 N LEU B 74 10.774 -20.158 -12.443 1.00 0.00 N ATOM 1130 CA LEU B 74 11.927 -19.656 -13.160 1.00 0.00 C ATOM 1131 C LEU B 74 13.155 -20.289 -12.548 1.00 0.00 C ATOM 1132 O LEU B 74 13.334 -20.250 -11.332 1.00 0.00 O ATOM 1133 CB LEU B 74 12.056 -18.141 -13.009 1.00 0.00 C ATOM 1134 CG LEU B 74 12.389 -17.418 -14.310 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.586 -17.988 -15.067 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.172 -17.493 -15.225 1.00 0.00 C ATOM 0 H LEU B 74 10.902 -20.169 -11.431 1.00 0.00 H new ATOM 0 HA LEU B 74 11.820 -19.895 -14.218 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.121 -17.744 -12.613 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.832 -17.923 -12.275 1.00 0.00 H new ATOM 0 HG LEU B 74 12.654 -16.397 -14.033 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.748 -17.412 -15.978 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.475 -17.931 -14.438 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.391 -19.029 -15.326 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.389 -16.981 -16.162 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.934 -18.537 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.322 -17.015 -14.739 1.00 0.00 H new ATOM 1148 N ASP B 75 14.004 -20.871 -13.390 1.00 0.00 N ATOM 1149 CA ASP B 75 15.223 -21.501 -12.935 1.00 0.00 C ATOM 1150 C ASP B 75 14.968 -22.518 -11.826 1.00 0.00 C ATOM 1151 O ASP B 75 15.861 -22.861 -11.057 1.00 0.00 O ATOM 1152 CB ASP B 75 16.204 -20.412 -12.506 1.00 0.00 C ATOM 1153 CG ASP B 75 17.664 -20.792 -12.758 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.095 -21.861 -12.271 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.350 -20.003 -13.444 1.00 0.00 O ATOM 0 H ASP B 75 13.861 -20.915 -14.399 1.00 0.00 H new ATOM 0 HA ASP B 75 15.658 -22.072 -13.755 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.975 -19.492 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.066 -20.204 -11.445 1.00 0.00 H new ATOM 1160 N GLY B 76 13.730 -23.007 -11.744 1.00 0.00 N ATOM 1161 CA GLY B 76 13.378 -24.035 -10.797 1.00 0.00 C ATOM 1162 C GLY B 76 12.671 -23.506 -9.551 1.00 0.00 C ATOM 1163 O GLY B 76 12.279 -24.304 -8.699 1.00 0.00 O ATOM 0 H GLY B 76 12.957 -22.697 -12.333 1.00 0.00 H new ATOM 0 HA2 GLY B 76 12.733 -24.764 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.282 -24.563 -10.494 1.00 0.00 H new ATOM 1167 N LYS B 77 12.500 -22.183 -9.428 1.00 0.00 N ATOM 1168 CA LYS B 77 11.894 -21.567 -8.255 1.00 0.00 C ATOM 1169 C LYS B 77 10.577 -20.901 -8.641 1.00 0.00 C ATOM 1170 O LYS B 77 10.528 -20.143 -9.608 1.00 0.00 O ATOM 1171 CB LYS B 77 12.867 -20.579 -7.604 1.00 0.00 C ATOM 1172 CG LYS B 77 14.237 -21.218 -7.366 1.00 0.00 C ATOM 1173 CD LYS B 77 14.159 -22.461 -6.475 1.00 0.00 C ATOM 1174 CE LYS B 77 15.485 -23.222 -6.522 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.607 -22.415 -6.001 1.00 0.00 N ATOM 0 H LYS B 77 12.781 -21.514 -10.145 1.00 0.00 H new ATOM 0 HA LYS B 77 11.675 -22.337 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.979 -19.702 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.456 -20.233 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.679 -21.490 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.900 -20.486 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.934 -22.170 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.347 -23.107 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.397 -24.139 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.697 -23.517 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 17.447 -23.018 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.818 -21.644 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 16.347 -22.014 -5.077 1.00 0.00 H new ATOM 1189 N ALA B 78 9.516 -21.183 -7.886 1.00 0.00 N ATOM 1190 CA ALA B 78 8.177 -20.723 -8.222 1.00 0.00 C ATOM 1191 C ALA B 78 8.033 -19.216 -8.025 1.00 0.00 C ATOM 1192 O ALA B 78 8.534 -18.666 -7.045 1.00 0.00 O ATOM 1193 CB ALA B 78 7.146 -21.500 -7.405 1.00 0.00 C ATOM 0 H ALA B 78 9.564 -21.734 -7.029 1.00 0.00 H new ATOM 0 HA ALA B 78 7.998 -20.915 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.144 -21.153 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.230 -22.563 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.327 -21.339 -6.342 1.00 0.00 H new ATOM 1199 N ILE B 79 7.342 -18.558 -8.959 1.00 0.00 N ATOM 1200 CA ILE B 79 7.218 -17.105 -8.981 1.00 0.00 C ATOM 1201 C ILE B 79 5.779 -16.603 -8.975 1.00 0.00 C ATOM 1202 O ILE B 79 4.817 -17.374 -9.006 1.00 0.00 O ATOM 1203 CB ILE B 79 7.917 -16.545 -10.224 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.127 -16.865 -11.501 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.343 -17.078 -10.336 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.690 -16.111 -12.702 1.00 0.00 C ATOM 0 H ILE B 79 6.852 -19.023 -9.723 1.00 0.00 H new ATOM 0 HA ILE B 79 7.686 -16.755 -8.061 1.00 0.00 H new ATOM 0 HB ILE B 79 7.960 -15.461 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.161 -17.937 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.079 -16.599 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.817 -16.665 -11.227 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.911 -16.785 -9.453 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.320 -18.165 -10.408 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.110 -16.358 -13.591 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.633 -15.038 -12.518 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.730 -16.397 -12.856 1.00 0.00 H new ATOM 1218 N LYS B 80 5.665 -15.273 -8.943 1.00 0.00 N ATOM 1219 CA LYS B 80 4.444 -14.516 -9.142 1.00 0.00 C ATOM 1220 C LYS B 80 4.673 -13.575 -10.317 1.00 0.00 C ATOM 1221 O LYS B 80 5.784 -13.069 -10.480 1.00 0.00 O ATOM 1222 CB LYS B 80 4.121 -13.699 -7.892 1.00 0.00 C ATOM 1223 CG LYS B 80 2.721 -13.085 -7.995 1.00 0.00 C ATOM 1224 CD LYS B 80 2.474 -12.096 -6.856 1.00 0.00 C ATOM 1225 CE LYS B 80 1.035 -11.570 -6.884 1.00 0.00 C ATOM 1226 NZ LYS B 80 0.062 -12.644 -6.601 1.00 0.00 N ATOM 0 H LYS B 80 6.469 -14.671 -8.768 1.00 0.00 H new ATOM 0 HA LYS B 80 3.610 -15.190 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.180 -14.336 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.862 -12.909 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.612 -12.577 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.970 -13.875 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.668 -12.582 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.171 -11.262 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.923 -10.773 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.824 -11.135 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -0.858 -12.224 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -0.042 -13.248 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.401 -13.218 -5.802 1.00 0.00 H new ATOM 1240 N VAL B 81 3.643 -13.335 -11.129 1.00 0.00 N ATOM 1241 CA VAL B 81 3.727 -12.368 -12.213 1.00 0.00 C ATOM 1242 C VAL B 81 2.454 -11.540 -12.230 1.00 0.00 C ATOM 1243 O VAL B 81 1.353 -12.084 -12.270 1.00 0.00 O ATOM 1244 CB VAL B 81 3.964 -13.053 -13.558 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.148 -11.998 -14.646 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.224 -13.915 -13.504 1.00 0.00 C ATOM 0 H VAL B 81 2.739 -13.801 -11.052 1.00 0.00 H new ATOM 0 HA VAL B 81 4.582 -11.713 -12.044 1.00 0.00 H new ATOM 0 HB VAL B 81 3.101 -13.681 -13.780 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.317 -12.489 -15.604 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.253 -11.379 -14.708 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.006 -11.371 -14.403 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.378 -14.396 -14.470 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.084 -13.288 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.110 -14.678 -12.734 1.00 0.00 H new ATOM 1256 N GLU B 82 2.607 -10.216 -12.197 1.00 0.00 N ATOM 1257 CA GLU B 82 1.470 -9.308 -12.125 1.00 0.00 C ATOM 1258 C GLU B 82 1.915 -7.914 -12.552 1.00 0.00 C ATOM 1259 O GLU B 82 3.111 -7.647 -12.610 1.00 0.00 O ATOM 1260 CB GLU B 82 0.957 -9.290 -10.676 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.416 -8.629 -10.534 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.480 -9.368 -11.345 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -1.655 -9.010 -12.531 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -2.113 -10.285 -10.775 1.00 0.00 O ATOM 0 H GLU B 82 3.514 -9.750 -12.219 1.00 0.00 H new ATOM 0 HA GLU B 82 0.670 -9.636 -12.789 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.901 -10.313 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.675 -8.761 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.705 -8.611 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.358 -7.593 -10.867 1.00 0.00 H new ATOM 1271 N GLN B 83 0.978 -7.011 -12.852 1.00 0.00 N ATOM 1272 CA GLN B 83 1.326 -5.626 -13.119 1.00 0.00 C ATOM 1273 C GLN B 83 2.000 -5.065 -11.866 1.00 0.00 C ATOM 1274 O GLN B 83 1.534 -5.297 -10.750 1.00 0.00 O ATOM 1275 CB GLN B 83 0.059 -4.861 -13.504 1.00 0.00 C ATOM 1276 CG GLN B 83 0.215 -3.342 -13.446 1.00 0.00 C ATOM 1277 CD GLN B 83 1.231 -2.770 -14.423 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.334 -3.198 -15.568 1.00 0.00 O ATOM 1279 NE2 GLN B 83 1.987 -1.783 -13.952 1.00 0.00 N ATOM 0 H GLN B 83 -0.019 -7.218 -12.914 1.00 0.00 H new ATOM 0 HA GLN B 83 2.022 -5.530 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.235 -5.149 -14.513 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.751 -5.160 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.754 -2.883 -13.641 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.505 -3.058 -12.434 1.00 0.00 H new ATOM 0 HE21 GLN B 83 1.865 -1.461 -12.992 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.689 -1.348 -14.551 1.00 0.00 H new ATOM 1288 N ALA B 84 3.096 -4.330 -12.053 1.00 0.00 N ATOM 1289 CA ALA B 84 3.928 -3.888 -10.950 1.00 0.00 C ATOM 1290 C ALA B 84 3.402 -2.635 -10.260 1.00 0.00 C ATOM 1291 O ALA B 84 2.611 -1.877 -10.822 1.00 0.00 O ATOM 1292 CB ALA B 84 5.338 -3.623 -11.472 1.00 0.00 C ATOM 0 H ALA B 84 3.425 -4.029 -12.970 1.00 0.00 H new ATOM 0 HA ALA B 84 3.922 -4.682 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA B 84 5.973 -3.290 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.746 -4.539 -11.898 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.302 -2.850 -12.240 1.00 0.00 H new ATOM 1298 N THR B 85 3.864 -2.434 -9.025 1.00 0.00 N ATOM 1299 CA THR B 85 3.666 -1.201 -8.279 1.00 0.00 C ATOM 1300 C THR B 85 5.014 -0.531 -8.082 1.00 0.00 C ATOM 1301 O THR B 85 6.056 -1.123 -8.355 1.00 0.00 O ATOM 1302 CB THR B 85 3.006 -1.452 -6.924 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.713 -2.438 -6.199 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.563 -1.916 -7.111 1.00 0.00 C ATOM 0 H THR B 85 4.394 -3.138 -8.511 1.00 0.00 H new ATOM 0 HA THR B 85 2.997 -0.556 -8.848 1.00 0.00 H new ATOM 0 HB THR B 85 3.020 -0.514 -6.368 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.276 -2.584 -5.334 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.108 -2.090 -6.136 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.000 -1.149 -7.643 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.550 -2.841 -7.688 1.00 0.00 H new