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= -5.3! C(o=-5.3!,f=-5.2!) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : B 20 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : B 22 LYS NZ :NH3+ -164:sc= -0.0347 (180deg=-0.302) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00286) USER MOD Single : B 31 TYR OH : rot 158:sc= -0.78 USER MOD Single : B 40 MET CE :methyl -127:sc= -0.403 (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= -0.0848 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -145:sc= -2.25! (180deg=-3.15!) USER MOD Single : B 70 ASN : amide:sc= 0.417 K(o=0.42,f=-3.8!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.079 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ -108:sc= 0.669 (180deg=-0.0385) USER MOD Single : B 83 GLN : amide:sc= 0.0312 X(o=0.031,f=-0.21) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.146 -2.567 -18.844 1.00 0.00 N ATOM 112 CA GLY B 8 3.266 -3.122 -19.576 1.00 0.00 C ATOM 113 C GLY B 8 4.411 -3.450 -18.639 1.00 0.00 C ATOM 114 O GLY B 8 5.313 -4.186 -19.029 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.952 -4.023 -20.103 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.601 -2.411 -20.332 1.00 0.00 H new ATOM 118 N LYS B 9 4.392 -2.921 -17.409 1.00 0.00 N ATOM 119 CA LYS B 9 5.443 -3.230 -16.465 1.00 0.00 C ATOM 120 C LYS B 9 4.951 -4.325 -15.542 1.00 0.00 C ATOM 121 O LYS B 9 3.876 -4.215 -14.957 1.00 0.00 O ATOM 122 CB LYS B 9 5.910 -1.994 -15.701 1.00 0.00 C ATOM 123 CG LYS B 9 7.084 -2.423 -14.815 1.00 0.00 C ATOM 124 CD LYS B 9 7.652 -1.260 -14.007 1.00 0.00 C ATOM 125 CE LYS B 9 8.362 -0.265 -14.926 1.00 0.00 C ATOM 126 NZ LYS B 9 8.927 0.859 -14.157 1.00 0.00 N ATOM 0 H LYS B 9 3.670 -2.290 -17.060 1.00 0.00 H new ATOM 0 HA LYS B 9 6.322 -3.584 -17.004 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.217 -1.208 -16.392 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.100 -1.588 -15.095 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.755 -3.209 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.871 -2.849 -15.438 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.849 -0.757 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.351 -1.636 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.158 -0.773 -15.471 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.659 0.115 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.403 1.519 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.163 1.356 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.615 0.496 -13.466 1.00 0.00 H new ATOM 140 N LEU B 10 5.739 -5.386 -15.410 1.00 0.00 N ATOM 141 CA LEU B 10 5.360 -6.534 -14.615 1.00 0.00 C ATOM 142 C LEU B 10 6.255 -6.639 -13.390 1.00 0.00 C ATOM 143 O LEU B 10 7.379 -6.141 -13.392 1.00 0.00 O ATOM 144 CB LEU B 10 5.479 -7.789 -15.474 1.00 0.00 C ATOM 145 CG LEU B 10 4.479 -7.865 -16.630 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.746 -9.180 -17.356 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.030 -7.865 -16.152 1.00 0.00 C ATOM 0 H LEU B 10 6.655 -5.469 -15.852 1.00 0.00 H new ATOM 0 HA LEU B 10 4.330 -6.425 -14.275 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.489 -7.841 -15.880 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.346 -8.664 -14.837 1.00 0.00 H new ATOM 0 HG LEU B 10 4.609 -6.991 -17.268 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.055 -9.281 -18.193 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.770 -9.188 -17.729 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.604 -10.012 -16.666 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.363 -7.920 -17.012 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.860 -8.726 -15.505 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.830 -6.949 -15.596 1.00 0.00 H new ATOM 159 N PHE B 11 5.737 -7.293 -12.352 1.00 0.00 N ATOM 160 CA PHE B 11 6.470 -7.642 -11.153 1.00 0.00 C ATOM 161 C PHE B 11 6.666 -9.147 -11.163 1.00 0.00 C ATOM 162 O PHE B 11 5.702 -9.891 -11.342 1.00 0.00 O ATOM 163 CB PHE B 11 5.682 -7.203 -9.923 1.00 0.00 C ATOM 164 CG PHE B 11 6.198 -7.827 -8.649 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.361 -7.327 -8.048 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.520 -8.915 -8.073 1.00 0.00 C ATOM 167 CE1 PHE B 11 7.834 -7.906 -6.863 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.002 -9.497 -6.891 1.00 0.00 C ATOM 169 CZ PHE B 11 7.161 -8.989 -6.289 1.00 0.00 C ATOM 0 H PHE B 11 4.765 -7.601 -12.329 1.00 0.00 H new ATOM 0 HA PHE B 11 7.438 -7.141 -11.122 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.727 -6.117 -9.836 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.633 -7.469 -10.054 1.00 0.00 H new ATOM 0 HD1 PHE B 11 7.890 -6.499 -8.496 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.627 -9.303 -8.541 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.723 -7.514 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.482 -10.333 -6.447 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.535 -9.435 -5.379 1.00 0.00 H new ATOM 179 N ILE B 12 7.905 -9.594 -10.974 1.00 0.00 N ATOM 180 CA ILE B 12 8.259 -10.999 -11.079 1.00 0.00 C ATOM 181 C ILE B 12 8.830 -11.476 -9.746 1.00 0.00 C ATOM 182 O ILE B 12 10.044 -11.571 -9.594 1.00 0.00 O ATOM 183 CB ILE B 12 9.267 -11.200 -12.221 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.027 -10.354 -13.479 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.261 -12.678 -12.595 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.667 -10.556 -14.149 1.00 0.00 C ATOM 0 H ILE B 12 8.691 -8.987 -10.743 1.00 0.00 H new ATOM 0 HA ILE B 12 7.372 -11.590 -11.307 1.00 0.00 H new ATOM 0 HB ILE B 12 10.231 -10.861 -11.841 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.132 -9.302 -13.215 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.809 -10.580 -14.204 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.969 -12.851 -13.405 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.548 -13.274 -11.729 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.261 -12.967 -12.919 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.595 -9.915 -15.027 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.561 -11.598 -14.451 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.874 -10.300 -13.447 1.00 0.00 H new ATOM 198 N GLY B 13 7.966 -11.774 -8.769 1.00 0.00 N ATOM 199 CA GLY B 13 8.435 -12.126 -7.434 1.00 0.00 C ATOM 200 C GLY B 13 8.552 -13.637 -7.237 1.00 0.00 C ATOM 201 O GLY B 13 7.745 -14.389 -7.774 1.00 0.00 O ATOM 0 H GLY B 13 6.952 -11.777 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.406 -11.663 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.749 -11.718 -6.692 1.00 0.00 H new ATOM 205 N GLY B 14 9.550 -14.085 -6.472 1.00 0.00 N ATOM 206 CA GLY B 14 9.706 -15.486 -6.102 1.00 0.00 C ATOM 207 C GLY B 14 10.783 -16.168 -6.936 1.00 0.00 C ATOM 208 O GLY B 14 10.934 -17.390 -6.886 1.00 0.00 O ATOM 0 H GLY B 14 10.276 -13.478 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY B 14 9.963 -15.558 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.757 -16.006 -6.235 1.00 0.00 H new ATOM 212 N LEU B 15 11.535 -15.377 -7.707 1.00 0.00 N ATOM 213 CA LEU B 15 12.554 -15.890 -8.604 1.00 0.00 C ATOM 214 C LEU B 15 13.697 -16.540 -7.840 1.00 0.00 C ATOM 215 O LEU B 15 13.862 -16.349 -6.635 1.00 0.00 O ATOM 216 CB LEU B 15 13.118 -14.738 -9.430 1.00 0.00 C ATOM 217 CG LEU B 15 12.103 -14.090 -10.366 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.654 -12.751 -10.850 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.922 -14.992 -11.581 1.00 0.00 C ATOM 0 H LEU B 15 11.448 -14.361 -7.721 1.00 0.00 H new ATOM 0 HA LEU B 15 12.091 -16.642 -9.243 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.510 -13.978 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.958 -15.105 -10.020 1.00 0.00 H new ATOM 0 HG LEU B 15 11.157 -13.944 -9.844 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.933 -12.282 -11.520 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.831 -12.100 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.591 -12.914 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.199 -14.544 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.877 -15.110 -12.092 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.560 -15.968 -11.259 1.00 0.00 H new ATOM 231 N ASN B 16 14.499 -17.321 -8.567 1.00 0.00 N ATOM 232 CA ASN B 16 15.678 -17.956 -8.031 1.00 0.00 C ATOM 233 C ASN B 16 16.795 -16.933 -7.843 1.00 0.00 C ATOM 234 O ASN B 16 16.782 -15.869 -8.461 1.00 0.00 O ATOM 235 CB ASN B 16 16.066 -19.051 -9.010 1.00 0.00 C ATOM 236 CG ASN B 16 17.080 -20.031 -8.476 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.481 -19.993 -7.319 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.490 -20.926 -9.360 1.00 0.00 N ATOM 0 H ASN B 16 14.336 -17.525 -9.553 1.00 0.00 H new ATOM 0 HA ASN B 16 15.491 -18.386 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.168 -19.597 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.465 -18.590 -9.913 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.175 -21.632 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.121 -20.910 -10.311 1.00 0.00 H new ATOM 245 N THR B 17 17.771 -17.245 -6.992 1.00 0.00 N ATOM 246 CA THR B 17 18.916 -16.372 -6.779 1.00 0.00 C ATOM 247 C THR B 17 19.871 -16.454 -7.965 1.00 0.00 C ATOM 248 O THR B 17 20.794 -15.650 -8.084 1.00 0.00 O ATOM 249 CB THR B 17 19.652 -16.772 -5.499 1.00 0.00 C ATOM 250 OG1 THR B 17 20.252 -18.037 -5.672 1.00 0.00 O ATOM 251 CG2 THR B 17 18.696 -16.860 -4.314 1.00 0.00 C ATOM 0 H THR B 17 17.788 -18.101 -6.438 1.00 0.00 H new ATOM 0 HA THR B 17 18.557 -15.348 -6.681 1.00 0.00 H new ATOM 0 HB THR B 17 20.404 -16.009 -5.298 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.724 -18.290 -4.851 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.250 -17.146 -3.420 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.225 -15.890 -4.154 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.929 -17.606 -4.520 1.00 0.00 H new ATOM 259 N GLU B 18 19.638 -17.435 -8.837 1.00 0.00 N ATOM 260 CA GLU B 18 20.499 -17.743 -9.966 1.00 0.00 C ATOM 261 C GLU B 18 19.976 -17.093 -11.244 1.00 0.00 C ATOM 262 O GLU B 18 20.656 -17.092 -12.268 1.00 0.00 O ATOM 263 CB GLU B 18 20.581 -19.266 -10.120 1.00 0.00 C ATOM 264 CG GLU B 18 20.589 -20.003 -8.774 1.00 0.00 C ATOM 265 CD GLU B 18 21.849 -19.749 -7.937 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.597 -18.795 -8.246 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.057 -20.525 -6.976 1.00 0.00 O ATOM 0 H GLU B 18 18.826 -18.048 -8.772 1.00 0.00 H new ATOM 0 HA GLU B 18 21.496 -17.341 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.734 -19.612 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.484 -19.522 -10.674 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.715 -19.699 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.495 -21.074 -8.956 1.00 0.00 H new ATOM 274 N THR B 19 18.761 -16.535 -11.184 1.00 0.00 N ATOM 275 CA THR B 19 18.144 -15.867 -12.317 1.00 0.00 C ATOM 276 C THR B 19 18.761 -14.487 -12.505 1.00 0.00 C ATOM 277 O THR B 19 19.109 -13.819 -11.532 1.00 0.00 O ATOM 278 CB THR B 19 16.633 -15.741 -12.086 1.00 0.00 C ATOM 279 OG1 THR B 19 16.085 -17.011 -11.810 1.00 0.00 O ATOM 280 CG2 THR B 19 15.926 -15.170 -13.310 1.00 0.00 C ATOM 0 H THR B 19 18.184 -16.538 -10.343 1.00 0.00 H new ATOM 0 HA THR B 19 18.317 -16.456 -13.217 1.00 0.00 H new ATOM 0 HB THR B 19 16.485 -15.065 -11.244 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.120 -16.926 -11.661 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.857 -15.095 -13.111 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.324 -14.180 -13.531 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.090 -15.827 -14.164 1.00 0.00 H new ATOM 288 N ASN B 20 18.892 -14.063 -13.763 1.00 0.00 N ATOM 289 CA ASN B 20 19.367 -12.730 -14.089 1.00 0.00 C ATOM 290 C ASN B 20 18.497 -12.140 -15.186 1.00 0.00 C ATOM 291 O ASN B 20 17.449 -12.682 -15.523 1.00 0.00 O ATOM 292 CB ASN B 20 20.825 -12.734 -14.538 1.00 0.00 C ATOM 293 CG ASN B 20 21.615 -13.922 -14.029 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.187 -13.893 -12.945 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.642 -14.980 -14.827 1.00 0.00 N ATOM 0 H ASN B 20 18.671 -14.636 -14.577 1.00 0.00 H new ATOM 0 HA ASN B 20 19.303 -12.123 -13.186 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.861 -12.725 -15.627 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.304 -11.817 -14.196 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.154 -15.817 -14.548 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.150 -14.958 -15.720 1.00 0.00 H new ATOM 302 N GLU B 21 18.950 -11.020 -15.740 1.00 0.00 N ATOM 303 CA GLU B 21 18.188 -10.257 -16.710 1.00 0.00 C ATOM 304 C GLU B 21 18.086 -11.013 -18.032 1.00 0.00 C ATOM 305 O GLU B 21 17.066 -10.930 -18.706 1.00 0.00 O ATOM 306 CB GLU B 21 18.868 -8.908 -16.919 1.00 0.00 C ATOM 307 CG GLU B 21 18.778 -8.105 -15.628 1.00 0.00 C ATOM 308 CD GLU B 21 19.671 -6.867 -15.681 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.243 -5.866 -16.299 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.778 -6.931 -15.099 1.00 0.00 O ATOM 0 H GLU B 21 19.862 -10.618 -15.524 1.00 0.00 H new ATOM 0 HA GLU B 21 17.176 -10.104 -16.336 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.911 -9.051 -17.202 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.388 -8.366 -17.734 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.745 -7.804 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.071 -8.732 -14.786 1.00 0.00 H new ATOM 317 N LYS B 22 19.133 -11.754 -18.411 1.00 0.00 N ATOM 318 CA LYS B 22 19.136 -12.464 -19.682 1.00 0.00 C ATOM 319 C LYS B 22 18.095 -13.580 -19.688 1.00 0.00 C ATOM 320 O LYS B 22 17.562 -13.926 -20.738 1.00 0.00 O ATOM 321 CB LYS B 22 20.542 -13.014 -19.930 1.00 0.00 C ATOM 322 CG LYS B 22 20.634 -13.825 -21.226 1.00 0.00 C ATOM 323 CD LYS B 22 20.075 -13.042 -22.417 1.00 0.00 C ATOM 324 CE LYS B 22 20.262 -13.823 -23.718 1.00 0.00 C ATOM 325 NZ LYS B 22 21.689 -13.998 -24.047 1.00 0.00 N ATOM 0 H LYS B 22 19.981 -11.874 -17.856 1.00 0.00 H new ATOM 0 HA LYS B 22 18.869 -11.778 -20.486 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.250 -12.187 -19.972 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.836 -13.643 -19.090 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.674 -14.089 -21.418 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.084 -14.759 -21.112 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.016 -12.839 -22.259 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.577 -12.077 -22.492 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.787 -14.800 -23.628 1.00 0.00 H new ATOM 0 HE3 LYS B 22 19.762 -13.299 -24.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 21.783 -14.281 -25.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 22.193 -13.102 -23.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 22.098 -14.735 -23.437 1.00 0.00 H new ATOM 339 N ALA B 23 17.798 -14.146 -18.520 1.00 0.00 N ATOM 340 CA ALA B 23 16.850 -15.241 -18.420 1.00 0.00 C ATOM 341 C ALA B 23 15.443 -14.661 -18.355 1.00 0.00 C ATOM 342 O ALA B 23 14.462 -15.325 -18.677 1.00 0.00 O ATOM 343 CB ALA B 23 17.170 -16.066 -17.173 1.00 0.00 C ATOM 0 H ALA B 23 18.205 -13.859 -17.630 1.00 0.00 H new ATOM 0 HA ALA B 23 16.918 -15.896 -19.288 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.462 -16.891 -17.091 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.182 -16.463 -17.249 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.094 -15.433 -16.289 1.00 0.00 H new ATOM 349 N LEU B 24 15.365 -13.401 -17.929 1.00 0.00 N ATOM 350 CA LEU B 24 14.138 -12.675 -17.701 1.00 0.00 C ATOM 351 C LEU B 24 13.686 -12.009 -18.993 1.00 0.00 C ATOM 352 O LEU B 24 12.497 -11.796 -19.202 1.00 0.00 O ATOM 353 CB LEU B 24 14.486 -11.657 -16.611 1.00 0.00 C ATOM 354 CG LEU B 24 13.878 -12.103 -15.289 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.599 -11.447 -14.120 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.408 -11.717 -15.222 1.00 0.00 C ATOM 0 H LEU B 24 16.196 -12.844 -17.728 1.00 0.00 H new ATOM 0 HA LEU B 24 13.310 -13.311 -17.388 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.568 -11.567 -16.514 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.107 -10.672 -16.884 1.00 0.00 H new ATOM 0 HG LEU B 24 13.981 -13.186 -15.226 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.150 -11.778 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.652 -11.729 -14.137 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.512 -10.363 -14.201 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.989 -12.044 -14.270 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.312 -10.635 -15.309 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.868 -12.196 -16.039 1.00 0.00 H new ATOM 368 N GLU B 25 14.639 -11.682 -19.865 1.00 0.00 N ATOM 369 CA GLU B 25 14.314 -11.179 -21.188 1.00 0.00 C ATOM 370 C GLU B 25 13.965 -12.333 -22.115 1.00 0.00 C ATOM 371 O GLU B 25 13.185 -12.192 -23.053 1.00 0.00 O ATOM 372 CB GLU B 25 15.524 -10.459 -21.788 1.00 0.00 C ATOM 373 CG GLU B 25 15.759 -9.146 -21.070 1.00 0.00 C ATOM 374 CD GLU B 25 16.855 -8.330 -21.747 1.00 0.00 C ATOM 375 OE1 GLU B 25 18.042 -8.644 -21.505 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.501 -7.399 -22.505 1.00 0.00 O ATOM 0 H GLU B 25 15.638 -11.758 -19.675 1.00 0.00 H new ATOM 0 HA GLU B 25 13.470 -10.496 -21.091 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.409 -11.090 -21.707 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.359 -10.277 -22.850 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.834 -8.570 -21.050 1.00 0.00 H new ATOM 0 HG3 GLU B 25 16.036 -9.341 -20.034 1.00 0.00 H new ATOM 383 N ALA B 26 14.568 -13.484 -21.828 1.00 0.00 N ATOM 384 CA ALA B 26 14.447 -14.673 -22.654 1.00 0.00 C ATOM 385 C ALA B 26 13.145 -15.413 -22.372 1.00 0.00 C ATOM 386 O ALA B 26 12.669 -16.167 -23.219 1.00 0.00 O ATOM 387 CB ALA B 26 15.629 -15.575 -22.338 1.00 0.00 C ATOM 0 H ALA B 26 15.159 -13.614 -21.007 1.00 0.00 H new ATOM 0 HA ALA B 26 14.440 -14.388 -23.706 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.568 -16.480 -22.943 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.558 -15.050 -22.562 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.610 -15.843 -21.282 1.00 0.00 H new ATOM 393 N VAL B 27 12.577 -15.195 -21.186 1.00 0.00 N ATOM 394 CA VAL B 27 11.394 -15.917 -20.748 1.00 0.00 C ATOM 395 C VAL B 27 10.123 -15.093 -20.872 1.00 0.00 C ATOM 396 O VAL B 27 9.057 -15.621 -21.179 1.00 0.00 O ATOM 397 CB VAL B 27 11.644 -16.341 -19.314 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.504 -15.181 -18.343 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.688 -17.435 -18.885 1.00 0.00 C ATOM 0 H VAL B 27 12.925 -14.516 -20.509 1.00 0.00 H new ATOM 0 HA VAL B 27 11.231 -16.783 -21.390 1.00 0.00 H new ATOM 0 HB VAL B 27 12.669 -16.711 -19.287 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.692 -15.531 -17.328 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.225 -14.404 -18.598 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.495 -14.774 -18.405 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.895 -17.715 -17.852 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.663 -17.074 -18.964 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.817 -18.305 -19.529 1.00 0.00 H new ATOM 409 N PHE B 28 10.230 -13.789 -20.636 1.00 0.00 N ATOM 410 CA PHE B 28 9.095 -12.895 -20.814 1.00 0.00 C ATOM 411 C PHE B 28 9.075 -12.303 -22.219 1.00 0.00 C ATOM 412 O PHE B 28 8.090 -11.689 -22.618 1.00 0.00 O ATOM 413 CB PHE B 28 9.083 -11.818 -19.737 1.00 0.00 C ATOM 414 CG PHE B 28 8.770 -12.372 -18.369 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.442 -12.596 -17.983 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.809 -12.677 -17.485 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.157 -13.134 -16.724 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.530 -13.221 -16.223 1.00 0.00 C ATOM 419 CZ PHE B 28 8.202 -13.447 -15.842 1.00 0.00 C ATOM 0 H PHE B 28 11.086 -13.332 -20.323 1.00 0.00 H new ATOM 0 HA PHE B 28 8.179 -13.476 -20.703 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.054 -11.323 -19.712 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.345 -11.059 -19.995 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.636 -12.353 -18.660 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.833 -12.493 -17.776 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.132 -13.309 -16.431 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.337 -13.465 -15.547 1.00 0.00 H new ATOM 0 HZ PHE B 28 7.982 -13.862 -14.870 1.00 0.00 H new ATOM 429 N GLY B 29 10.158 -12.488 -22.978 1.00 0.00 N ATOM 430 CA GLY B 29 10.196 -12.033 -24.362 1.00 0.00 C ATOM 431 C GLY B 29 9.398 -12.978 -25.255 1.00 0.00 C ATOM 432 O GLY B 29 9.256 -12.745 -26.453 1.00 0.00 O ATOM 0 H GLY B 29 11.011 -12.946 -22.657 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.787 -11.025 -24.431 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.229 -11.982 -24.707 1.00 0.00 H new ATOM 436 N LYS B 30 8.874 -14.052 -24.654 1.00 0.00 N ATOM 437 CA LYS B 30 8.096 -15.082 -25.320 1.00 0.00 C ATOM 438 C LYS B 30 6.645 -14.649 -25.492 1.00 0.00 C ATOM 439 O LYS B 30 5.887 -15.278 -26.230 1.00 0.00 O ATOM 440 CB LYS B 30 8.180 -16.349 -24.464 1.00 0.00 C ATOM 441 CG LYS B 30 9.641 -16.733 -24.236 1.00 0.00 C ATOM 442 CD LYS B 30 9.796 -17.914 -23.270 1.00 0.00 C ATOM 443 CE LYS B 30 8.960 -19.128 -23.671 1.00 0.00 C ATOM 444 NZ LYS B 30 9.386 -19.677 -24.975 1.00 0.00 N ATOM 0 H LYS B 30 8.989 -14.226 -23.656 1.00 0.00 H new ATOM 0 HA LYS B 30 8.495 -15.265 -26.318 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.686 -16.184 -23.507 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.654 -17.166 -24.958 1.00 0.00 H new ATOM 0 HG2 LYS B 30 10.099 -16.987 -25.192 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.182 -15.873 -23.842 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.846 -18.202 -23.223 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.508 -17.597 -22.268 1.00 0.00 H new ATOM 0 HE2 LYS B 30 9.047 -19.899 -22.905 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.908 -18.846 -23.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.819 -20.520 -25.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.247 -18.960 -25.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.392 -19.938 -24.930 1.00 0.00 H new ATOM 458 N TYR B 31 6.274 -13.574 -24.798 1.00 0.00 N ATOM 459 CA TYR B 31 4.917 -13.056 -24.799 1.00 0.00 C ATOM 460 C TYR B 31 4.806 -11.695 -25.486 1.00 0.00 C ATOM 461 O TYR B 31 3.707 -11.301 -25.872 1.00 0.00 O ATOM 462 CB TYR B 31 4.467 -12.965 -23.346 1.00 0.00 C ATOM 463 CG TYR B 31 4.560 -14.286 -22.617 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.614 -15.287 -22.871 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.605 -14.510 -21.704 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.725 -16.530 -22.237 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.715 -15.750 -21.053 1.00 0.00 C ATOM 468 CZ TYR B 31 4.790 -16.777 -21.350 1.00 0.00 C ATOM 469 OH TYR B 31 4.921 -18.010 -20.788 1.00 0.00 O ATOM 0 H TYR B 31 6.917 -13.037 -24.216 1.00 0.00 H new ATOM 0 HA TYR B 31 4.276 -13.728 -25.370 1.00 0.00 H new ATOM 0 HB2 TYR B 31 5.078 -12.226 -22.827 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.438 -12.609 -23.311 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.800 -15.100 -23.555 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.323 -13.729 -21.503 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.993 -17.300 -22.429 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.500 -15.917 -20.331 1.00 0.00 H new ATOM 0 HH TYR B 31 5.848 -18.141 -20.499 1.00 0.00 H new ATOM 479 N GLY B 32 5.920 -10.975 -25.642 1.00 0.00 N ATOM 480 CA GLY B 32 5.905 -9.659 -26.258 1.00 0.00 C ATOM 481 C GLY B 32 7.294 -9.083 -26.419 1.00 0.00 C ATOM 482 O GLY B 32 8.256 -9.567 -25.821 1.00 0.00 O ATOM 0 H GLY B 32 6.844 -11.289 -25.347 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.426 -9.723 -27.235 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.302 -8.983 -25.651 1.00 0.00 H new ATOM 486 N ARG B 33 7.393 -8.033 -27.237 1.00 0.00 N ATOM 487 CA ARG B 33 8.641 -7.351 -27.452 1.00 0.00 C ATOM 488 C ARG B 33 8.961 -6.535 -26.216 1.00 0.00 C ATOM 489 O ARG B 33 8.230 -5.618 -25.852 1.00 0.00 O ATOM 490 CB ARG B 33 8.532 -6.488 -28.709 1.00 0.00 C ATOM 491 CG ARG B 33 9.910 -6.355 -29.339 1.00 0.00 C ATOM 492 CD ARG B 33 9.799 -5.565 -30.641 1.00 0.00 C ATOM 493 NE ARG B 33 11.079 -5.548 -31.358 1.00 0.00 N ATOM 494 CZ ARG B 33 12.021 -4.610 -31.219 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.855 -3.579 -30.397 1.00 0.00 N ATOM 496 NH2 ARG B 33 13.147 -4.696 -31.917 1.00 0.00 N ATOM 0 H ARG B 33 6.608 -7.645 -27.759 1.00 0.00 H new ATOM 0 HA ARG B 33 9.457 -8.056 -27.612 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.837 -6.939 -29.417 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.137 -5.504 -28.457 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.589 -5.851 -28.652 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.329 -7.342 -29.534 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.030 -6.007 -31.274 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.486 -4.544 -30.425 1.00 0.00 H new ATOM 0 HE ARG B 33 11.264 -6.309 -32.012 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.995 -3.492 -29.856 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.588 -2.875 -30.307 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.292 -5.477 -32.558 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.867 -3.982 -31.813 1.00 0.00 H new ATOM 510 N ILE B 34 10.064 -6.884 -25.570 1.00 0.00 N ATOM 511 CA ILE B 34 10.529 -6.198 -24.378 1.00 0.00 C ATOM 512 C ILE B 34 11.164 -4.861 -24.741 1.00 0.00 C ATOM 513 O ILE B 34 11.856 -4.752 -25.752 1.00 0.00 O ATOM 514 CB ILE B 34 11.500 -7.116 -23.626 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.716 -8.343 -23.145 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.157 -6.384 -22.457 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.570 -9.279 -22.294 1.00 0.00 C ATOM 0 H ILE B 34 10.664 -7.656 -25.862 1.00 0.00 H new ATOM 0 HA ILE B 34 9.688 -5.974 -23.722 1.00 0.00 H new ATOM 0 HB ILE B 34 12.306 -7.429 -24.290 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.853 -8.016 -22.566 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.333 -8.888 -24.008 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.840 -7.060 -21.942 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.711 -5.524 -22.832 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.389 -6.046 -21.762 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.970 -10.132 -21.978 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.419 -9.630 -22.880 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.931 -8.744 -21.416 1.00 0.00 H new ATOM 529 N VAL B 35 10.922 -3.846 -23.905 1.00 0.00 N ATOM 530 CA VAL B 35 11.531 -2.531 -24.052 1.00 0.00 C ATOM 531 C VAL B 35 12.517 -2.282 -22.915 1.00 0.00 C ATOM 532 O VAL B 35 13.424 -1.464 -23.052 1.00 0.00 O ATOM 533 CB VAL B 35 10.472 -1.416 -24.101 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.588 -0.674 -25.430 1.00 0.00 C ATOM 535 CG2 VAL B 35 9.033 -1.911 -23.946 1.00 0.00 C ATOM 0 H VAL B 35 10.294 -3.920 -23.105 1.00 0.00 H new ATOM 0 HA VAL B 35 12.067 -2.514 -25.001 1.00 0.00 H new ATOM 0 HB VAL B 35 10.676 -0.767 -23.249 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.840 0.118 -25.471 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.583 -0.238 -25.518 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.424 -1.371 -26.252 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.350 -1.063 -23.992 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.800 -2.609 -24.750 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.923 -2.414 -22.985 1.00 0.00 H new ATOM 545 N GLU B 36 12.340 -2.985 -21.793 1.00 0.00 N ATOM 546 CA GLU B 36 13.231 -2.885 -20.649 1.00 0.00 C ATOM 547 C GLU B 36 13.054 -4.103 -19.747 1.00 0.00 C ATOM 548 O GLU B 36 11.961 -4.662 -19.667 1.00 0.00 O ATOM 549 CB GLU B 36 12.894 -1.606 -19.877 1.00 0.00 C ATOM 550 CG GLU B 36 13.804 -1.422 -18.663 1.00 0.00 C ATOM 551 CD GLU B 36 13.559 -0.071 -17.997 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.158 0.922 -18.468 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.775 -0.039 -17.022 1.00 0.00 O ATOM 0 H GLU B 36 11.570 -3.640 -21.659 1.00 0.00 H new ATOM 0 HA GLU B 36 14.267 -2.850 -20.985 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.991 -0.745 -20.539 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.855 -1.641 -19.551 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.626 -2.223 -17.946 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.847 -1.496 -18.971 1.00 0.00 H new ATOM 560 N VAL B 37 14.121 -4.518 -19.061 1.00 0.00 N ATOM 561 CA VAL B 37 14.036 -5.543 -18.031 1.00 0.00 C ATOM 562 C VAL B 37 14.839 -5.113 -16.815 1.00 0.00 C ATOM 563 O VAL B 37 15.882 -4.472 -16.932 1.00 0.00 O ATOM 564 CB VAL B 37 14.485 -6.924 -18.545 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.096 -7.802 -17.449 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.261 -7.667 -19.068 1.00 0.00 C ATOM 0 H VAL B 37 15.062 -4.152 -19.206 1.00 0.00 H new ATOM 0 HA VAL B 37 12.990 -5.651 -17.744 1.00 0.00 H new ATOM 0 HB VAL B 37 15.240 -6.746 -19.311 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.392 -8.761 -17.874 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.971 -7.305 -17.030 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.360 -7.966 -16.662 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.561 -8.648 -19.436 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.537 -7.788 -18.262 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.809 -7.097 -19.880 1.00 0.00 H new ATOM 576 N LEU B 38 14.326 -5.484 -15.643 1.00 0.00 N ATOM 577 CA LEU B 38 14.987 -5.268 -14.369 1.00 0.00 C ATOM 578 C LEU B 38 15.189 -6.613 -13.704 1.00 0.00 C ATOM 579 O LEU B 38 14.455 -7.563 -13.967 1.00 0.00 O ATOM 580 CB LEU B 38 14.092 -4.394 -13.506 1.00 0.00 C ATOM 581 CG LEU B 38 14.449 -2.909 -13.590 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.413 -2.113 -12.808 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.815 -2.619 -12.973 1.00 0.00 C ATOM 0 H LEU B 38 13.423 -5.951 -15.557 1.00 0.00 H new ATOM 0 HA LEU B 38 15.951 -4.779 -14.506 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.055 -4.531 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.164 -4.722 -12.469 1.00 0.00 H new ATOM 0 HG LEU B 38 14.470 -2.629 -14.643 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.655 -1.051 -12.859 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.425 -2.281 -13.237 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.416 -2.436 -11.767 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.031 -1.554 -13.053 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.809 -2.911 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.581 -3.185 -13.503 1.00 0.00 H new ATOM 595 N LEU B 39 16.191 -6.684 -12.840 1.00 0.00 N ATOM 596 CA LEU B 39 16.398 -7.827 -11.984 1.00 0.00 C ATOM 597 C LEU B 39 17.058 -7.285 -10.733 1.00 0.00 C ATOM 598 O LEU B 39 18.160 -6.736 -10.800 1.00 0.00 O ATOM 599 CB LEU B 39 17.264 -8.842 -12.728 1.00 0.00 C ATOM 600 CG LEU B 39 17.590 -10.144 -11.994 1.00 0.00 C ATOM 601 CD1 LEU B 39 18.766 -9.992 -11.039 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.417 -10.724 -11.220 1.00 0.00 C ATOM 0 H LEU B 39 16.882 -5.944 -12.718 1.00 0.00 H new ATOM 0 HA LEU B 39 15.479 -8.346 -11.712 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.763 -9.096 -13.662 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.204 -8.357 -12.992 1.00 0.00 H new ATOM 0 HG LEU B 39 17.849 -10.838 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU B 39 18.957 -10.944 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.652 -9.690 -11.598 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.532 -9.234 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.726 -11.646 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.085 -10.006 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.598 -10.937 -11.907 1.00 0.00 H new ATOM 614 N MET B 40 16.391 -7.431 -9.593 1.00 0.00 N ATOM 615 CA MET B 40 16.859 -6.785 -8.385 1.00 0.00 C ATOM 616 C MET B 40 17.842 -7.706 -7.690 1.00 0.00 C ATOM 617 O MET B 40 17.635 -8.917 -7.688 1.00 0.00 O ATOM 618 CB MET B 40 15.680 -6.400 -7.488 1.00 0.00 C ATOM 619 CG MET B 40 14.524 -5.732 -8.243 1.00 0.00 C ATOM 620 SD MET B 40 14.915 -4.850 -9.778 1.00 0.00 S ATOM 621 CE MET B 40 16.066 -3.593 -9.178 1.00 0.00 C ATOM 0 H MET B 40 15.540 -7.982 -9.486 1.00 0.00 H new ATOM 0 HA MET B 40 17.374 -5.856 -8.628 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.308 -7.294 -6.989 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.033 -5.724 -6.709 1.00 0.00 H new ATOM 0 HG2 MET B 40 13.788 -6.501 -8.477 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.044 -5.027 -7.564 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.728 -2.607 -9.498 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.107 -3.627 -8.089 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.059 -3.785 -9.584 1.00 0.00 H new ATOM 631 N LYS B 41 18.907 -7.158 -7.099 1.00 0.00 N ATOM 632 CA LYS B 41 19.891 -7.994 -6.433 1.00 0.00 C ATOM 633 C LYS B 41 20.570 -7.314 -5.256 1.00 0.00 C ATOM 634 O LYS B 41 20.602 -6.092 -5.140 1.00 0.00 O ATOM 635 CB LYS B 41 20.951 -8.511 -7.408 1.00 0.00 C ATOM 636 CG LYS B 41 20.900 -7.858 -8.787 1.00 0.00 C ATOM 637 CD LYS B 41 22.069 -8.362 -9.625 1.00 0.00 C ATOM 638 CE LYS B 41 22.083 -7.686 -10.996 1.00 0.00 C ATOM 639 NZ LYS B 41 23.210 -8.175 -11.812 1.00 0.00 N ATOM 0 H LYS B 41 19.102 -6.157 -7.071 1.00 0.00 H new ATOM 0 HA LYS B 41 19.323 -8.836 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS B 41 21.938 -8.346 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS B 41 20.829 -9.588 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS B 41 19.956 -8.093 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.947 -6.773 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.007 -8.163 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS B 41 21.996 -9.443 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.143 -7.882 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.160 -6.606 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.199 -7.702 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.106 -7.966 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.121 -9.202 -11.947 1.00 0.00 H new ATOM 765 N ARG B 49 17.382 -10.308 -5.390 1.00 0.00 N ATOM 766 CA ARG B 49 16.544 -9.993 -4.239 1.00 0.00 C ATOM 767 C ARG B 49 15.355 -10.953 -4.220 1.00 0.00 C ATOM 768 O ARG B 49 14.527 -10.907 -3.313 1.00 0.00 O ATOM 769 CB ARG B 49 16.073 -8.537 -4.320 1.00 0.00 C ATOM 770 CG ARG B 49 17.228 -7.531 -4.292 1.00 0.00 C ATOM 771 CD ARG B 49 17.284 -6.693 -3.014 1.00 0.00 C ATOM 772 NE ARG B 49 16.171 -5.737 -2.933 1.00 0.00 N ATOM 773 CZ ARG B 49 15.190 -5.768 -2.028 1.00 0.00 C ATOM 774 NH1 ARG B 49 15.120 -6.733 -1.112 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.260 -4.819 -2.040 1.00 0.00 N ATOM 0 HA ARG B 49 17.112 -10.111 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.499 -8.397 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.400 -8.332 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.169 -8.069 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.138 -6.864 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.259 -7.353 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.230 -6.152 -2.976 1.00 0.00 H new ATOM 0 HE ARG B 49 16.146 -4.988 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG B 49 15.826 -7.469 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG B 49 14.361 -6.735 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.299 -4.075 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG B 49 13.507 -4.834 -1.352 1.00 0.00 H new ATOM 789 N GLY B 50 15.275 -11.825 -5.231 1.00 0.00 N ATOM 790 CA GLY B 50 14.205 -12.799 -5.387 1.00 0.00 C ATOM 791 C GLY B 50 13.003 -12.224 -6.130 1.00 0.00 C ATOM 792 O GLY B 50 12.014 -12.928 -6.319 1.00 0.00 O ATOM 0 H GLY B 50 15.970 -11.869 -5.976 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.583 -13.667 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY B 50 13.889 -13.149 -4.404 1.00 0.00 H new ATOM 796 N PHE B 51 13.070 -10.963 -6.562 1.00 0.00 N ATOM 797 CA PHE B 51 12.016 -10.391 -7.385 1.00 0.00 C ATOM 798 C PHE B 51 12.618 -9.482 -8.452 1.00 0.00 C ATOM 799 O PHE B 51 13.764 -9.049 -8.340 1.00 0.00 O ATOM 800 CB PHE B 51 10.987 -9.660 -6.521 1.00 0.00 C ATOM 801 CG PHE B 51 11.477 -8.388 -5.872 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.221 -8.446 -4.687 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.176 -7.149 -6.453 1.00 0.00 C ATOM 804 CE1 PHE B 51 12.649 -7.259 -4.076 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.589 -5.966 -5.834 1.00 0.00 C ATOM 806 CZ PHE B 51 12.338 -6.020 -4.654 1.00 0.00 C ATOM 0 H PHE B 51 13.840 -10.327 -6.355 1.00 0.00 H new ATOM 0 HA PHE B 51 11.488 -11.196 -7.895 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.121 -9.423 -7.139 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.645 -10.339 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.464 -9.401 -4.246 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.624 -7.108 -7.380 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.219 -7.299 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.330 -5.011 -6.266 1.00 0.00 H new ATOM 0 HZ PHE B 51 12.677 -5.107 -4.188 1.00 0.00 H new ATOM 816 N ALA B 52 11.837 -9.200 -9.495 1.00 0.00 N ATOM 817 CA ALA B 52 12.312 -8.442 -10.639 1.00 0.00 C ATOM 818 C ALA B 52 11.162 -7.726 -11.344 1.00 0.00 C ATOM 819 O ALA B 52 10.017 -7.792 -10.896 1.00 0.00 O ATOM 820 CB ALA B 52 12.980 -9.430 -11.593 1.00 0.00 C ATOM 0 H ALA B 52 10.862 -9.492 -9.565 1.00 0.00 H new ATOM 0 HA ALA B 52 13.015 -7.676 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.351 -8.897 -12.468 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.812 -9.919 -11.086 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.254 -10.181 -11.906 1.00 0.00 H new ATOM 826 N PHE B 53 11.475 -7.040 -12.448 1.00 0.00 N ATOM 827 CA PHE B 53 10.493 -6.300 -13.225 1.00 0.00 C ATOM 828 C PHE B 53 10.800 -6.429 -14.715 1.00 0.00 C ATOM 829 O PHE B 53 11.919 -6.759 -15.094 1.00 0.00 O ATOM 830 CB PHE B 53 10.478 -4.830 -12.792 1.00 0.00 C ATOM 831 CG PHE B 53 10.164 -4.618 -11.334 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.185 -4.766 -10.389 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.868 -4.279 -10.929 1.00 0.00 C ATOM 834 CE1 PHE B 53 10.903 -4.600 -9.027 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.584 -4.109 -9.567 1.00 0.00 C ATOM 836 CZ PHE B 53 9.602 -4.273 -8.615 1.00 0.00 C ATOM 0 H PHE B 53 12.422 -6.986 -12.824 1.00 0.00 H new ATOM 0 HA PHE B 53 9.503 -6.718 -13.043 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.451 -4.389 -13.010 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.743 -4.294 -13.392 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.188 -5.008 -10.709 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.088 -4.149 -11.665 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.687 -4.724 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.584 -3.852 -9.251 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.384 -4.147 -7.565 1.00 0.00 H new ATOM 846 N VAL B 54 9.806 -6.166 -15.565 1.00 0.00 N ATOM 847 CA VAL B 54 9.983 -6.200 -17.010 1.00 0.00 C ATOM 848 C VAL B 54 8.962 -5.284 -17.661 1.00 0.00 C ATOM 849 O VAL B 54 7.814 -5.236 -17.226 1.00 0.00 O ATOM 850 CB VAL B 54 9.840 -7.633 -17.538 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.598 -8.328 -17.055 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.863 -7.683 -19.067 1.00 0.00 C ATOM 0 H VAL B 54 8.860 -5.925 -15.268 1.00 0.00 H new ATOM 0 HA VAL B 54 10.986 -5.852 -17.258 1.00 0.00 H new ATOM 0 HB VAL B 54 10.704 -8.162 -17.136 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.562 -9.336 -17.467 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.611 -8.381 -15.966 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.719 -7.771 -17.381 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.759 -8.716 -19.399 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.039 -7.090 -19.463 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.808 -7.279 -19.430 1.00 0.00 H new ATOM 862 N THR B 55 9.379 -4.560 -18.702 1.00 0.00 N ATOM 863 CA THR B 55 8.491 -3.683 -19.444 1.00 0.00 C ATOM 864 C THR B 55 8.290 -4.207 -20.859 1.00 0.00 C ATOM 865 O THR B 55 9.255 -4.389 -21.602 1.00 0.00 O ATOM 866 CB THR B 55 9.020 -2.247 -19.470 1.00 0.00 C ATOM 867 OG1 THR B 55 9.268 -1.806 -18.153 1.00 0.00 O ATOM 868 CG2 THR B 55 7.973 -1.327 -20.095 1.00 0.00 C ATOM 0 H THR B 55 10.339 -4.570 -19.048 1.00 0.00 H new ATOM 0 HA THR B 55 7.527 -3.671 -18.935 1.00 0.00 H new ATOM 0 HB THR B 55 9.941 -2.222 -20.053 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.608 -0.887 -18.174 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.351 -0.305 -20.113 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.763 -1.654 -21.113 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.057 -1.365 -19.505 1.00 0.00 H new ATOM 876 N PHE B 56 7.028 -4.444 -21.220 1.00 0.00 N ATOM 877 CA PHE B 56 6.631 -4.871 -22.551 1.00 0.00 C ATOM 878 C PHE B 56 6.277 -3.688 -23.447 1.00 0.00 C ATOM 879 O PHE B 56 5.914 -2.620 -22.953 1.00 0.00 O ATOM 880 CB PHE B 56 5.424 -5.790 -22.420 1.00 0.00 C ATOM 881 CG PHE B 56 5.740 -7.153 -21.858 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.226 -7.320 -20.549 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.537 -8.270 -22.672 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.500 -8.607 -20.066 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.785 -9.553 -22.180 1.00 0.00 C ATOM 886 CZ PHE B 56 6.254 -9.726 -20.873 1.00 0.00 C ATOM 0 H PHE B 56 6.242 -4.341 -20.578 1.00 0.00 H new ATOM 0 HA PHE B 56 7.470 -5.391 -23.014 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.684 -5.309 -21.781 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.967 -5.912 -23.402 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.388 -6.459 -19.918 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.187 -8.141 -23.685 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.901 -8.736 -19.072 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.614 -10.414 -22.810 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.426 -10.720 -20.487 1.00 0.00 H new ATOM 896 N GLU B 57 6.378 -3.874 -24.765 1.00 0.00 N ATOM 897 CA GLU B 57 5.965 -2.873 -25.728 1.00 0.00 C ATOM 898 C GLU B 57 4.441 -2.797 -25.825 1.00 0.00 C ATOM 899 O GLU B 57 3.911 -1.774 -26.254 1.00 0.00 O ATOM 900 CB GLU B 57 6.559 -3.223 -27.087 1.00 0.00 C ATOM 901 CG GLU B 57 7.990 -2.705 -27.228 1.00 0.00 C ATOM 902 CD GLU B 57 8.501 -2.765 -28.666 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.665 -2.743 -29.597 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.741 -2.829 -28.824 1.00 0.00 O ATOM 0 H GLU B 57 6.749 -4.726 -25.186 1.00 0.00 H new ATOM 0 HA GLU B 57 6.326 -1.897 -25.402 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.549 -4.305 -27.221 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.939 -2.798 -27.876 1.00 0.00 H new ATOM 0 HG2 GLU B 57 8.036 -1.675 -26.874 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.649 -3.292 -26.588 1.00 0.00 H new ATOM 911 N SER B 58 3.730 -3.862 -25.431 1.00 0.00 N ATOM 912 CA SER B 58 2.275 -3.835 -25.384 1.00 0.00 C ATOM 913 C SER B 58 1.812 -4.146 -23.969 1.00 0.00 C ATOM 914 O SER B 58 2.398 -4.995 -23.297 1.00 0.00 O ATOM 915 CB SER B 58 1.718 -4.834 -26.393 1.00 0.00 C ATOM 916 OG SER B 58 0.320 -4.955 -26.239 1.00 0.00 O ATOM 0 H SER B 58 4.144 -4.748 -25.142 1.00 0.00 H new ATOM 0 HA SER B 58 1.903 -2.846 -25.651 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.953 -4.508 -27.406 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.192 -5.806 -26.253 1.00 0.00 H new ATOM 0 HG SER B 58 -0.027 -5.597 -26.893 1.00 0.00 H new ATOM 922 N PRO B 59 0.758 -3.468 -23.499 1.00 0.00 N ATOM 923 CA PRO B 59 0.240 -3.658 -22.161 1.00 0.00 C ATOM 924 C PRO B 59 -0.499 -4.987 -22.064 1.00 0.00 C ATOM 925 O PRO B 59 -0.847 -5.397 -20.963 1.00 0.00 O ATOM 926 CB PRO B 59 -0.731 -2.504 -21.950 1.00 0.00 C ATOM 927 CG PRO B 59 -1.278 -2.284 -23.354 1.00 0.00 C ATOM 928 CD PRO B 59 -0.025 -2.471 -24.210 1.00 0.00 C ATOM 0 HA PRO B 59 1.032 -3.675 -21.413 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.519 -2.759 -21.241 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.230 -1.616 -21.564 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.057 -3.003 -23.607 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.710 -1.291 -23.473 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.278 -2.808 -25.215 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.526 -1.536 -24.317 1.00 0.00 H new ATOM 936 N ALA B 60 -0.741 -5.662 -23.194 1.00 0.00 N ATOM 937 CA ALA B 60 -1.504 -6.897 -23.210 1.00 0.00 C ATOM 938 C ALA B 60 -0.604 -8.078 -23.552 1.00 0.00 C ATOM 939 O ALA B 60 -0.994 -9.228 -23.354 1.00 0.00 O ATOM 940 CB ALA B 60 -2.682 -6.759 -24.172 1.00 0.00 C ATOM 0 H ALA B 60 -0.412 -5.363 -24.112 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.910 -7.092 -22.217 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.254 -7.687 -24.183 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.324 -5.941 -23.846 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.310 -6.550 -25.175 1.00 0.00 H new ATOM 946 N ASP B 61 0.600 -7.810 -24.061 1.00 0.00 N ATOM 947 CA ASP B 61 1.598 -8.853 -24.194 1.00 0.00 C ATOM 948 C ASP B 61 2.094 -9.189 -22.790 1.00 0.00 C ATOM 949 O ASP B 61 2.508 -10.314 -22.519 1.00 0.00 O ATOM 950 CB ASP B 61 2.753 -8.351 -25.048 1.00 0.00 C ATOM 951 CG ASP B 61 2.421 -8.245 -26.535 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.291 -8.621 -26.920 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.312 -7.782 -27.288 1.00 0.00 O ATOM 0 H ASP B 61 0.898 -6.889 -24.382 1.00 0.00 H new ATOM 0 HA ASP B 61 1.177 -9.736 -24.674 1.00 0.00 H new ATOM 0 HB2 ASP B 61 3.063 -7.371 -24.684 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.603 -9.021 -24.922 1.00 0.00 H new ATOM 958 N ALA B 62 2.038 -8.194 -21.899 1.00 0.00 N ATOM 959 CA ALA B 62 2.370 -8.373 -20.500 1.00 0.00 C ATOM 960 C ALA B 62 1.230 -9.075 -19.768 1.00 0.00 C ATOM 961 O ALA B 62 1.471 -9.810 -18.818 1.00 0.00 O ATOM 962 CB ALA B 62 2.632 -7.005 -19.883 1.00 0.00 C ATOM 0 H ALA B 62 1.759 -7.242 -22.138 1.00 0.00 H new ATOM 0 HA ALA B 62 3.261 -8.995 -20.411 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.883 -7.123 -18.829 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.461 -6.525 -20.402 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.739 -6.387 -19.976 1.00 0.00 H new ATOM 968 N LYS B 63 -0.017 -8.855 -20.206 1.00 0.00 N ATOM 969 CA LYS B 63 -1.160 -9.557 -19.639 1.00 0.00 C ATOM 970 C LYS B 63 -1.084 -11.025 -20.021 1.00 0.00 C ATOM 971 O LYS B 63 -1.413 -11.887 -19.218 1.00 0.00 O ATOM 972 CB LYS B 63 -2.468 -8.979 -20.176 1.00 0.00 C ATOM 973 CG LYS B 63 -2.738 -7.587 -19.602 1.00 0.00 C ATOM 974 CD LYS B 63 -3.955 -6.923 -20.253 1.00 0.00 C ATOM 975 CE LYS B 63 -5.209 -7.774 -20.028 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.398 -7.138 -20.627 1.00 0.00 N ATOM 0 H LYS B 63 -0.252 -8.197 -20.949 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.137 -9.441 -18.555 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.424 -8.924 -21.264 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.293 -9.645 -19.924 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.899 -7.663 -18.527 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.860 -6.958 -19.749 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.103 -5.928 -19.834 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.780 -6.796 -21.321 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.064 -8.763 -20.463 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.369 -7.916 -18.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.233 -7.735 -20.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.548 -6.205 -20.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.253 -7.025 -21.651 1.00 0.00 H new ATOM 990 N ASP B 64 -0.652 -11.310 -21.249 1.00 0.00 N ATOM 991 CA ASP B 64 -0.593 -12.677 -21.730 1.00 0.00 C ATOM 992 C ASP B 64 0.489 -13.449 -20.993 1.00 0.00 C ATOM 993 O ASP B 64 0.349 -14.648 -20.772 1.00 0.00 O ATOM 994 CB ASP B 64 -0.297 -12.638 -23.224 1.00 0.00 C ATOM 995 CG ASP B 64 -0.497 -14.004 -23.873 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.634 -14.521 -23.786 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.483 -14.522 -24.454 1.00 0.00 O ATOM 0 H ASP B 64 -0.340 -10.610 -21.922 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.542 -13.182 -21.550 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -0.947 -11.907 -23.705 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.729 -12.306 -23.384 1.00 0.00 H new ATOM 1002 N ALA B 65 1.566 -12.759 -20.607 1.00 0.00 N ATOM 1003 CA ALA B 65 2.606 -13.368 -19.797 1.00 0.00 C ATOM 1004 C ALA B 65 2.127 -13.493 -18.355 1.00 0.00 C ATOM 1005 O ALA B 65 2.316 -14.527 -17.721 1.00 0.00 O ATOM 1006 CB ALA B 65 3.867 -12.512 -19.852 1.00 0.00 C ATOM 0 H ALA B 65 1.734 -11.781 -20.845 1.00 0.00 H new ATOM 0 HA ALA B 65 2.831 -14.361 -20.186 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.646 -12.972 -19.243 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.211 -12.436 -20.884 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.647 -11.516 -19.469 1.00 0.00 H new ATOM 1012 N ALA B 66 1.498 -12.443 -17.826 1.00 0.00 N ATOM 1013 CA ALA B 66 1.038 -12.434 -16.450 1.00 0.00 C ATOM 1014 C ALA B 66 -0.161 -13.369 -16.259 1.00 0.00 C ATOM 1015 O ALA B 66 -0.607 -13.592 -15.135 1.00 0.00 O ATOM 1016 CB ALA B 66 0.709 -10.989 -16.063 1.00 0.00 C ATOM 0 H ALA B 66 1.298 -11.585 -18.340 1.00 0.00 H new ATOM 0 HA ALA B 66 1.821 -12.811 -15.792 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.361 -10.959 -15.031 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.603 -10.373 -16.162 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.071 -10.605 -16.720 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.678 -13.920 -17.363 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.735 -14.926 -17.364 1.00 0.00 C ATOM 1024 C ARG B 67 -1.209 -16.321 -17.698 1.00 0.00 C ATOM 1025 O ARG B 67 -2.003 -17.252 -17.830 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.811 -14.512 -18.364 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.574 -13.295 -17.839 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.459 -12.679 -18.920 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.489 -13.618 -19.381 1.00 0.00 N ATOM 1030 CZ ARG B 67 -5.461 -14.265 -20.549 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -4.459 -14.093 -21.408 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -6.448 -15.099 -20.870 1.00 0.00 N ATOM 0 H ARG B 67 -0.363 -13.670 -18.300 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.153 -14.981 -16.359 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.354 -14.278 -19.326 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.501 -15.339 -18.532 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.189 -13.589 -16.988 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.866 -12.549 -17.478 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.935 -11.779 -18.531 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.842 -12.373 -19.765 1.00 0.00 H new ATOM 0 HE ARG B 67 -6.284 -13.789 -18.765 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -3.694 -13.458 -21.179 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -4.456 -14.596 -22.295 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.224 -15.243 -20.224 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -6.428 -15.594 -21.762 1.00 0.00 H new ATOM 1046 N ASP B 68 0.110 -16.490 -17.836 1.00 0.00 N ATOM 1047 CA ASP B 68 0.691 -17.753 -18.241 1.00 0.00 C ATOM 1048 C ASP B 68 1.782 -18.143 -17.266 1.00 0.00 C ATOM 1049 O ASP B 68 1.794 -19.244 -16.724 1.00 0.00 O ATOM 1050 CB ASP B 68 1.351 -17.534 -19.597 1.00 0.00 C ATOM 1051 CG ASP B 68 0.516 -18.096 -20.746 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.664 -17.694 -20.860 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.068 -18.925 -21.506 1.00 0.00 O ATOM 0 H ASP B 68 0.794 -15.752 -17.668 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.076 -18.526 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.509 -16.467 -19.754 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.334 -18.005 -19.601 1.00 0.00 H new ATOM 1058 N MET B 69 2.691 -17.194 -17.063 1.00 0.00 N ATOM 1059 CA MET B 69 3.868 -17.328 -16.245 1.00 0.00 C ATOM 1060 C MET B 69 3.570 -17.076 -14.769 1.00 0.00 C ATOM 1061 O MET B 69 4.425 -17.325 -13.921 1.00 0.00 O ATOM 1062 CB MET B 69 4.861 -16.309 -16.786 1.00 0.00 C ATOM 1063 CG MET B 69 5.791 -16.921 -17.829 1.00 0.00 C ATOM 1064 SD MET B 69 6.802 -18.315 -17.261 1.00 0.00 S ATOM 1065 CE MET B 69 7.637 -17.462 -15.909 1.00 0.00 C ATOM 0 H MET B 69 2.613 -16.271 -17.490 1.00 0.00 H new ATOM 0 HA MET B 69 4.262 -18.343 -16.292 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.319 -15.473 -17.228 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.452 -15.906 -15.964 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.189 -17.254 -18.675 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.456 -16.140 -18.198 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.658 -17.832 -15.821 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.655 -16.391 -16.111 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.103 -17.647 -14.977 1.00 0.00 H new ATOM 1075 N ASN B 70 2.373 -16.591 -14.442 1.00 0.00 N ATOM 1076 CA ASN B 70 2.006 -16.349 -13.058 1.00 0.00 C ATOM 1077 C ASN B 70 1.720 -17.683 -12.375 1.00 0.00 C ATOM 1078 O ASN B 70 0.891 -18.462 -12.843 1.00 0.00 O ATOM 1079 CB ASN B 70 0.801 -15.409 -13.005 1.00 0.00 C ATOM 1080 CG ASN B 70 0.436 -15.027 -11.576 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.240 -15.182 -10.661 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.776 -14.523 -11.379 1.00 0.00 N ATOM 0 H ASN B 70 1.646 -16.360 -15.119 1.00 0.00 H new ATOM 0 HA ASN B 70 2.825 -15.866 -12.525 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.020 -14.507 -13.577 1.00 0.00 H new ATOM 0 HB3 ASN B 70 -0.054 -15.889 -13.481 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -1.068 -14.249 -10.441 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.415 -14.410 -12.166 1.00 0.00 H new ATOM 1089 N GLY B 71 2.413 -17.943 -11.266 1.00 0.00 N ATOM 1090 CA GLY B 71 2.243 -19.163 -10.490 1.00 0.00 C ATOM 1091 C GLY B 71 3.144 -20.287 -10.999 1.00 0.00 C ATOM 1092 O GLY B 71 3.192 -21.359 -10.396 1.00 0.00 O ATOM 0 H GLY B 71 3.111 -17.307 -10.882 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.468 -18.962 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.202 -19.482 -10.537 1.00 0.00 H new ATOM 1096 N LYS B 72 3.862 -20.053 -12.104 1.00 0.00 N ATOM 1097 CA LYS B 72 4.846 -20.960 -12.650 1.00 0.00 C ATOM 1098 C LYS B 72 6.162 -20.783 -11.912 1.00 0.00 C ATOM 1099 O LYS B 72 6.189 -20.381 -10.755 1.00 0.00 O ATOM 1100 CB LYS B 72 5.004 -20.641 -14.129 1.00 0.00 C ATOM 1101 CG LYS B 72 3.680 -20.675 -14.893 1.00 0.00 C ATOM 1102 CD LYS B 72 2.990 -22.036 -14.763 1.00 0.00 C ATOM 1103 CE LYS B 72 1.711 -22.037 -15.599 1.00 0.00 C ATOM 1104 NZ LYS B 72 1.009 -23.333 -15.500 1.00 0.00 N ATOM 0 H LYS B 72 3.762 -19.198 -12.650 1.00 0.00 H new ATOM 0 HA LYS B 72 4.531 -21.997 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.453 -19.654 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.694 -21.356 -14.577 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.020 -19.894 -14.514 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.861 -20.457 -15.946 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.658 -22.829 -15.099 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.755 -22.239 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.052 -21.237 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.955 -21.831 -16.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.145 -23.305 -16.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.631 -24.092 -15.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.757 -23.516 -14.508 1.00 0.00 H new ATOM 1118 N SER B 73 7.259 -21.089 -12.599 1.00 0.00 N ATOM 1119 CA SER B 73 8.585 -21.105 -12.012 1.00 0.00 C ATOM 1120 C SER B 73 9.647 -20.547 -12.938 1.00 0.00 C ATOM 1121 O SER B 73 9.480 -20.491 -14.155 1.00 0.00 O ATOM 1122 CB SER B 73 8.866 -22.560 -11.651 1.00 0.00 C ATOM 1123 OG SER B 73 10.076 -22.695 -10.944 1.00 0.00 O ATOM 0 H SER B 73 7.247 -21.335 -13.589 1.00 0.00 H new ATOM 0 HA SER B 73 8.618 -20.458 -11.135 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.046 -22.951 -11.048 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.907 -23.160 -12.560 1.00 0.00 H new ATOM 0 HG SER B 73 10.224 -23.639 -10.727 1.00 0.00 H new ATOM 1129 N LEU B 74 10.750 -20.136 -12.314 1.00 0.00 N ATOM 1130 CA LEU B 74 11.921 -19.630 -12.993 1.00 0.00 C ATOM 1131 C LEU B 74 13.136 -20.256 -12.349 1.00 0.00 C ATOM 1132 O LEU B 74 13.285 -20.214 -11.127 1.00 0.00 O ATOM 1133 CB LEU B 74 12.034 -18.115 -12.849 1.00 0.00 C ATOM 1134 CG LEU B 74 12.375 -17.397 -14.153 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.598 -17.955 -14.880 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.182 -17.498 -15.094 1.00 0.00 C ATOM 0 H LEU B 74 10.847 -20.150 -11.299 1.00 0.00 H new ATOM 0 HA LEU B 74 11.848 -19.874 -14.053 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.091 -17.724 -12.465 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.799 -17.886 -12.108 1.00 0.00 H new ATOM 0 HG LEU B 74 12.611 -16.368 -13.879 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.768 -17.387 -15.795 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.473 -17.874 -14.235 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.427 -19.002 -15.130 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.413 -16.989 -16.030 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.965 -18.547 -15.296 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.313 -17.030 -14.631 1.00 0.00 H new ATOM 1148 N ASP B 75 14.010 -20.833 -13.170 1.00 0.00 N ATOM 1149 CA ASP B 75 15.219 -21.455 -12.679 1.00 0.00 C ATOM 1150 C ASP B 75 14.938 -22.470 -11.573 1.00 0.00 C ATOM 1151 O ASP B 75 15.808 -22.786 -10.764 1.00 0.00 O ATOM 1152 CB ASP B 75 16.177 -20.354 -12.231 1.00 0.00 C ATOM 1153 CG ASP B 75 17.649 -20.715 -12.430 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.032 -21.853 -12.081 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.385 -19.839 -12.937 1.00 0.00 O ATOM 0 H ASP B 75 13.895 -20.878 -14.182 1.00 0.00 H new ATOM 0 HA ASP B 75 15.683 -22.030 -13.480 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.956 -19.442 -12.785 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.003 -20.137 -11.177 1.00 0.00 H new ATOM 1160 N GLY B 76 13.708 -22.983 -11.533 1.00 0.00 N ATOM 1161 CA GLY B 76 13.332 -24.008 -10.591 1.00 0.00 C ATOM 1162 C GLY B 76 12.574 -23.481 -9.375 1.00 0.00 C ATOM 1163 O GLY B 76 12.151 -24.277 -8.537 1.00 0.00 O ATOM 0 H GLY B 76 12.954 -22.693 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY B 76 12.714 -24.747 -11.100 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.230 -24.524 -10.252 1.00 0.00 H new ATOM 1167 N LYS B 77 12.396 -22.157 -9.264 1.00 0.00 N ATOM 1168 CA LYS B 77 11.748 -21.536 -8.115 1.00 0.00 C ATOM 1169 C LYS B 77 10.443 -20.871 -8.539 1.00 0.00 C ATOM 1170 O LYS B 77 10.414 -20.112 -9.503 1.00 0.00 O ATOM 1171 CB LYS B 77 12.701 -20.544 -7.439 1.00 0.00 C ATOM 1172 CG LYS B 77 14.061 -21.188 -7.159 1.00 0.00 C ATOM 1173 CD LYS B 77 13.949 -22.419 -6.255 1.00 0.00 C ATOM 1174 CE LYS B 77 15.270 -23.183 -6.289 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.239 -24.349 -5.385 1.00 0.00 N ATOM 0 H LYS B 77 12.700 -21.491 -9.974 1.00 0.00 H new ATOM 0 HA LYS B 77 11.502 -22.305 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.834 -19.670 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.262 -20.193 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.525 -21.475 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.718 -20.455 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.715 -22.116 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.134 -23.060 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.474 -23.515 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS B 77 16.084 -22.518 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.151 -24.848 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 15.068 -24.028 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.477 -24.994 -5.676 1.00 0.00 H new ATOM 1189 N ALA B 78 9.363 -21.165 -7.810 1.00 0.00 N ATOM 1190 CA ALA B 78 8.030 -20.714 -8.181 1.00 0.00 C ATOM 1191 C ALA B 78 7.873 -19.204 -8.003 1.00 0.00 C ATOM 1192 O ALA B 78 8.358 -18.638 -7.027 1.00 0.00 O ATOM 1193 CB ALA B 78 6.981 -21.477 -7.379 1.00 0.00 C ATOM 0 H ALA B 78 9.393 -21.718 -6.954 1.00 0.00 H new ATOM 0 HA ALA B 78 7.882 -20.924 -9.240 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.986 -21.134 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.070 -22.544 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.137 -21.300 -6.315 1.00 0.00 H new ATOM 1199 N ILE B 79 7.193 -18.560 -8.957 1.00 0.00 N ATOM 1200 CA ILE B 79 7.060 -17.109 -8.995 1.00 0.00 C ATOM 1201 C ILE B 79 5.619 -16.605 -9.046 1.00 0.00 C ATOM 1202 O ILE B 79 4.662 -17.366 -9.155 1.00 0.00 O ATOM 1203 CB ILE B 79 7.799 -16.543 -10.212 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.042 -16.851 -11.514 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.224 -17.080 -10.290 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.646 -16.086 -12.690 1.00 0.00 C ATOM 0 H ILE B 79 6.720 -19.036 -9.725 1.00 0.00 H new ATOM 0 HA ILE B 79 7.493 -16.762 -8.057 1.00 0.00 H new ATOM 0 HB ILE B 79 7.846 -15.461 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.077 -17.922 -11.715 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.992 -16.582 -11.401 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.723 -16.661 -11.164 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.769 -16.797 -9.390 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.199 -18.167 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.093 -16.321 -13.599 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.587 -15.015 -12.496 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.689 -16.375 -12.815 1.00 0.00 H new ATOM 1218 N LYS B 80 5.512 -15.276 -8.970 1.00 0.00 N ATOM 1219 CA LYS B 80 4.305 -14.501 -9.181 1.00 0.00 C ATOM 1220 C LYS B 80 4.551 -13.568 -10.358 1.00 0.00 C ATOM 1221 O LYS B 80 5.665 -13.073 -10.518 1.00 0.00 O ATOM 1222 CB LYS B 80 4.007 -13.671 -7.932 1.00 0.00 C ATOM 1223 CG LYS B 80 2.667 -12.933 -8.036 1.00 0.00 C ATOM 1224 CD LYS B 80 2.534 -11.930 -6.894 1.00 0.00 C ATOM 1225 CE LYS B 80 1.206 -11.181 -7.003 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.088 -10.143 -5.960 1.00 0.00 N ATOM 0 H LYS B 80 6.314 -14.687 -8.747 1.00 0.00 H new ATOM 0 HA LYS B 80 3.459 -15.159 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS B 80 3.994 -14.323 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.808 -12.948 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.600 -12.417 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.845 -13.648 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.590 -12.448 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.363 -11.222 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.126 -10.721 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.380 -11.886 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.391 -10.443 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 2.011 -10.004 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.779 -9.249 -6.393 1.00 0.00 H new ATOM 1240 N VAL B 81 3.524 -13.324 -11.174 1.00 0.00 N ATOM 1241 CA VAL B 81 3.614 -12.342 -12.247 1.00 0.00 C ATOM 1242 C VAL B 81 2.357 -11.485 -12.227 1.00 0.00 C ATOM 1243 O VAL B 81 1.245 -12.006 -12.243 1.00 0.00 O ATOM 1244 CB VAL B 81 3.825 -13.017 -13.604 1.00 0.00 C ATOM 1245 CG1 VAL B 81 3.996 -11.957 -14.689 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.081 -13.882 -13.579 1.00 0.00 C ATOM 0 H VAL B 81 2.622 -13.795 -11.109 1.00 0.00 H new ATOM 0 HA VAL B 81 4.483 -11.703 -12.088 1.00 0.00 H new ATOM 0 HB VAL B 81 2.954 -13.638 -13.814 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.146 -12.444 -15.653 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.103 -11.333 -14.732 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.861 -11.336 -14.458 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.217 -14.355 -14.552 1.00 0.00 H new ATOM 0 HG22 VAL B 81 5.947 -13.259 -13.354 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.978 -14.651 -12.813 1.00 0.00 H new ATOM 1256 N GLU B 82 2.546 -10.166 -12.191 1.00 0.00 N ATOM 1257 CA GLU B 82 1.443 -9.222 -12.047 1.00 0.00 C ATOM 1258 C GLU B 82 1.895 -7.858 -12.557 1.00 0.00 C ATOM 1259 O GLU B 82 3.091 -7.642 -12.728 1.00 0.00 O ATOM 1260 CB GLU B 82 1.074 -9.148 -10.560 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.213 -8.362 -10.310 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.666 -8.495 -8.857 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.179 -8.272 -7.963 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.857 -8.821 -8.651 1.00 0.00 O ATOM 0 H GLU B 82 3.463 -9.726 -12.261 1.00 0.00 H new ATOM 0 HA GLU B 82 0.573 -9.539 -12.622 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.960 -10.158 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.892 -8.683 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.053 -7.311 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.998 -8.724 -10.974 1.00 0.00 H new ATOM 1271 N GLN B 83 0.970 -6.931 -12.805 1.00 0.00 N ATOM 1272 CA GLN B 83 1.355 -5.568 -13.135 1.00 0.00 C ATOM 1273 C GLN B 83 2.107 -4.994 -11.933 1.00 0.00 C ATOM 1274 O GLN B 83 1.715 -5.207 -10.786 1.00 0.00 O ATOM 1275 CB GLN B 83 0.100 -4.761 -13.486 1.00 0.00 C ATOM 1276 CG GLN B 83 0.308 -3.247 -13.443 1.00 0.00 C ATOM 1277 CD GLN B 83 1.290 -2.718 -14.476 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.273 -3.119 -15.635 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.151 -1.802 -14.042 1.00 0.00 N ATOM 0 H GLN B 83 -0.036 -7.099 -12.783 1.00 0.00 H new ATOM 0 HA GLN B 83 2.011 -5.529 -14.004 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.235 -5.044 -14.484 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.698 -5.029 -12.794 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.654 -2.756 -13.589 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.660 -2.969 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.126 -1.500 -13.068 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.836 -1.402 -14.683 1.00 0.00 H new ATOM 1288 N ALA B 84 3.191 -4.266 -12.199 1.00 0.00 N ATOM 1289 CA ALA B 84 4.076 -3.788 -11.153 1.00 0.00 C ATOM 1290 C ALA B 84 3.502 -2.596 -10.397 1.00 0.00 C ATOM 1291 O ALA B 84 2.703 -1.825 -10.933 1.00 0.00 O ATOM 1292 CB ALA B 84 5.421 -3.416 -11.762 1.00 0.00 C ATOM 0 H ALA B 84 3.474 -3.996 -13.141 1.00 0.00 H new ATOM 0 HA ALA B 84 4.195 -4.595 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.088 -3.056 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.860 -4.293 -12.238 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.279 -2.632 -12.506 1.00 0.00 H new ATOM 1298 N THR B 85 3.929 -2.457 -9.142 1.00 0.00 N ATOM 1299 CA THR B 85 3.636 -1.294 -8.320 1.00 0.00 C ATOM 1300 C THR B 85 4.923 -0.526 -8.067 1.00 0.00 C ATOM 1301 O THR B 85 5.995 -0.911 -8.538 1.00 0.00 O ATOM 1302 CB THR B 85 2.991 -1.686 -6.990 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.849 -2.527 -6.251 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.666 -2.408 -7.218 1.00 0.00 C ATOM 0 H THR B 85 4.495 -3.160 -8.666 1.00 0.00 H new ATOM 0 HA THR B 85 2.923 -0.667 -8.856 1.00 0.00 H new ATOM 0 HB THR B 85 2.808 -0.768 -6.431 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.421 -2.767 -5.402 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.228 -2.676 -6.257 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.983 -1.753 -7.758 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.840 -3.312 -7.802 1.00 0.00 H new