USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 : A 12 LYS NZ :NH3+ -132:sc= -1.41 (180deg=-4.86!) USER MOD Single : A 15 THR OG1 : rot 78:sc= -0.592! USER MOD Single : A 19 THR OG1 : rot 74:sc= -1.11 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0594 (180deg=-0.473) USER MOD Single : A 23 GLN : amide:sc= -8.96! C(o=-9!,f=-17!) USER MOD Single : A 28 GLN : amide:sc= -6.44! K(o=-6.4!,f=-0.8) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -154:sc= -0.087 (180deg=-0.816) USER MOD Single : A 36 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0524 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 60:sc= 1.01 USER MOD Single : A 90 THR OG1 : rot 115:sc= 0.718 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 150:sc= -1.58 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -0.201 (180deg=-0.951) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.184) USER MOD Single : A 99 THR OG1 : rot -14:sc= 0.6 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 102 SER OG : rot 180:sc= -0.221 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.080 -20.230 -4.378 1.00 0.00 N ATOM 108 CA PHE A 7 -10.411 -18.999 -3.971 1.00 0.00 C ATOM 109 C PHE A 7 -10.975 -17.808 -4.724 1.00 0.00 C ATOM 110 O PHE A 7 -11.208 -16.747 -4.145 1.00 0.00 O ATOM 111 CB PHE A 7 -8.897 -19.107 -4.219 1.00 0.00 C ATOM 112 CG PHE A 7 -8.221 -19.751 -3.024 1.00 0.00 C ATOM 113 CD1 PHE A 7 -8.273 -19.115 -1.777 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.554 -20.975 -3.159 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.656 -19.701 -0.667 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.937 -21.561 -2.048 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.986 -20.923 -0.802 1.00 0.00 C ATOM 0 HA PHE A 7 -10.587 -18.852 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.708 -19.697 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.477 -18.117 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.789 -18.172 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.516 -21.466 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.696 -19.211 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.423 -22.505 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.507 -21.374 0.055 1.00 0.00 H new ATOM 127 N ALA A 8 -11.212 -17.991 -6.007 1.00 0.00 N ATOM 128 CA ALA A 8 -11.767 -16.927 -6.811 1.00 0.00 C ATOM 129 C ALA A 8 -13.122 -16.547 -6.243 1.00 0.00 C ATOM 130 O ALA A 8 -13.473 -15.375 -6.169 1.00 0.00 O ATOM 131 CB ALA A 8 -11.906 -17.396 -8.255 1.00 0.00 C ATOM 0 H ALA A 8 -11.030 -18.860 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.110 -16.057 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.325 -16.592 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.926 -17.670 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.567 -18.262 -8.294 1.00 0.00 H new ATOM 137 N ARG A 9 -13.872 -17.551 -5.816 1.00 0.00 N ATOM 138 CA ARG A 9 -15.179 -17.302 -5.236 1.00 0.00 C ATOM 139 C ARG A 9 -15.039 -16.545 -3.924 1.00 0.00 C ATOM 140 O ARG A 9 -15.808 -15.639 -3.641 1.00 0.00 O ATOM 141 CB ARG A 9 -15.893 -18.621 -4.947 1.00 0.00 C ATOM 142 CG ARG A 9 -16.059 -19.436 -6.236 1.00 0.00 C ATOM 143 CD ARG A 9 -16.988 -18.711 -7.223 1.00 0.00 C ATOM 144 NE ARG A 9 -16.202 -17.896 -8.140 1.00 0.00 N ATOM 145 CZ ARG A 9 -16.778 -17.226 -9.133 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.072 -17.281 -9.293 1.00 0.00 N ATOM 147 NH2 ARG A 9 -16.048 -16.515 -9.948 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.601 -18.533 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.754 -16.713 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.324 -19.197 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.870 -18.423 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.085 -19.597 -6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.467 -20.419 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.576 -19.438 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.693 -18.083 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.191 -17.839 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.641 -17.838 -8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.514 -16.767 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.037 -16.474 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.489 -16.000 -10.710 1.00 0.00 H new ATOM 161 N LEU A 10 -14.059 -16.938 -3.112 1.00 0.00 N ATOM 162 CA LEU A 10 -13.855 -16.293 -1.820 1.00 0.00 C ATOM 163 C LEU A 10 -13.375 -14.859 -1.980 1.00 0.00 C ATOM 164 O LEU A 10 -13.843 -13.953 -1.293 1.00 0.00 O ATOM 165 CB LEU A 10 -12.810 -17.071 -1.031 1.00 0.00 C ATOM 166 CG LEU A 10 -13.370 -18.439 -0.578 1.00 0.00 C ATOM 167 CD1 LEU A 10 -12.233 -19.301 -0.008 1.00 0.00 C ATOM 168 CD2 LEU A 10 -14.466 -18.261 0.502 1.00 0.00 C ATOM 0 H LEU A 10 -13.403 -17.690 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.810 -16.282 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.922 -17.222 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.501 -16.493 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.812 -18.930 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.631 -20.264 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.475 -19.457 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.785 -18.794 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.843 -19.239 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.044 -17.753 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.284 -17.666 0.096 1.00 0.00 H new ATOM 180 N VAL A 11 -12.440 -14.670 -2.892 1.00 0.00 N ATOM 181 CA VAL A 11 -11.899 -13.345 -3.136 1.00 0.00 C ATOM 182 C VAL A 11 -13.016 -12.484 -3.692 1.00 0.00 C ATOM 183 O VAL A 11 -13.219 -11.348 -3.265 1.00 0.00 O ATOM 184 CB VAL A 11 -10.723 -13.412 -4.125 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.237 -12.000 -4.470 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.561 -14.199 -3.504 1.00 0.00 C ATOM 0 H VAL A 11 -12.042 -15.409 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.519 -12.917 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.065 -13.911 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.404 -12.063 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.052 -11.436 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.909 -11.496 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.732 -14.242 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.233 -13.704 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.891 -15.211 -3.270 1.00 0.00 H new ATOM 196 N LYS A 12 -13.758 -13.056 -4.634 1.00 0.00 N ATOM 197 CA LYS A 12 -14.877 -12.353 -5.225 1.00 0.00 C ATOM 198 C LYS A 12 -15.916 -12.054 -4.167 1.00 0.00 C ATOM 199 O LYS A 12 -16.531 -11.000 -4.184 1.00 0.00 O ATOM 200 CB LYS A 12 -15.499 -13.184 -6.349 1.00 0.00 C ATOM 201 CG LYS A 12 -14.581 -13.142 -7.569 1.00 0.00 C ATOM 202 CD LYS A 12 -15.051 -14.156 -8.612 1.00 0.00 C ATOM 203 CE LYS A 12 -16.378 -13.701 -9.239 1.00 0.00 C ATOM 204 NZ LYS A 12 -17.505 -14.090 -8.346 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.602 -13.996 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.515 -11.415 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.641 -14.214 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.483 -12.792 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.579 -12.140 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.556 -13.363 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.294 -14.267 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.177 -15.134 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.372 -12.621 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.504 -14.156 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.249 -14.553 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.160 -14.748 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.894 -13.241 -7.889 1.00 0.00 H new ATOM 218 N GLU A 13 -16.125 -12.991 -3.252 1.00 0.00 N ATOM 219 CA GLU A 13 -17.117 -12.776 -2.209 1.00 0.00 C ATOM 220 C GLU A 13 -16.735 -11.606 -1.305 1.00 0.00 C ATOM 221 O GLU A 13 -17.569 -10.755 -1.008 1.00 0.00 O ATOM 222 CB GLU A 13 -17.266 -14.061 -1.406 1.00 0.00 C ATOM 223 CG GLU A 13 -18.104 -15.070 -2.214 1.00 0.00 C ATOM 224 CD GLU A 13 -19.589 -14.924 -1.887 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.999 -15.419 -0.848 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.293 -14.319 -2.679 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.635 -13.885 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.071 -12.518 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.285 -14.481 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.748 -13.853 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.944 -14.911 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.775 -16.085 -1.990 1.00 0.00 H new ATOM 233 N VAL A 14 -15.474 -11.545 -0.893 1.00 0.00 N ATOM 234 CA VAL A 14 -15.025 -10.440 -0.051 1.00 0.00 C ATOM 235 C VAL A 14 -15.137 -9.134 -0.818 1.00 0.00 C ATOM 236 O VAL A 14 -15.628 -8.120 -0.309 1.00 0.00 O ATOM 237 CB VAL A 14 -13.568 -10.657 0.374 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.019 -9.390 1.040 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.513 -11.796 1.380 1.00 0.00 C ATOM 0 H VAL A 14 -14.756 -12.232 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.654 -10.398 0.838 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.970 -10.892 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.984 -9.555 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.066 -8.559 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.617 -9.154 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.481 -11.959 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.117 -11.542 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.902 -12.705 0.922 1.00 0.00 H new ATOM 249 N THR A 15 -14.657 -9.175 -2.044 1.00 0.00 N ATOM 250 CA THR A 15 -14.671 -8.011 -2.888 1.00 0.00 C ATOM 251 C THR A 15 -16.108 -7.584 -3.153 1.00 0.00 C ATOM 252 O THR A 15 -16.404 -6.400 -3.200 1.00 0.00 O ATOM 253 CB THR A 15 -13.965 -8.318 -4.211 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.651 -8.784 -3.947 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.872 -7.047 -5.057 1.00 0.00 C ATOM 0 H THR A 15 -14.253 -10.007 -2.474 1.00 0.00 H new ATOM 0 HA THR A 15 -14.145 -7.199 -2.386 1.00 0.00 H new ATOM 0 HB THR A 15 -14.533 -9.078 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.687 -9.721 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.369 -7.272 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.875 -6.673 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.306 -6.290 -4.515 1.00 0.00 H new ATOM 263 N ASP A 16 -16.996 -8.561 -3.342 1.00 0.00 N ATOM 264 CA ASP A 16 -18.397 -8.268 -3.617 1.00 0.00 C ATOM 265 C ASP A 16 -19.032 -7.499 -2.460 1.00 0.00 C ATOM 266 O ASP A 16 -19.825 -6.582 -2.676 1.00 0.00 O ATOM 267 CB ASP A 16 -19.173 -9.563 -3.862 1.00 0.00 C ATOM 268 CG ASP A 16 -18.778 -10.164 -5.207 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.144 -9.469 -5.984 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.116 -11.313 -5.442 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.769 -9.555 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.440 -7.648 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.969 -10.275 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.244 -9.363 -3.845 1.00 0.00 H new ATOM 275 N GLU A 17 -18.673 -7.865 -1.233 1.00 0.00 N ATOM 276 CA GLU A 17 -19.203 -7.195 -0.062 1.00 0.00 C ATOM 277 C GLU A 17 -18.808 -5.737 -0.110 1.00 0.00 C ATOM 278 O GLU A 17 -19.605 -4.851 0.195 1.00 0.00 O ATOM 279 CB GLU A 17 -18.630 -7.850 1.189 1.00 0.00 C ATOM 280 CG GLU A 17 -19.196 -9.264 1.316 1.00 0.00 C ATOM 281 CD GLU A 17 -20.646 -9.211 1.789 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.087 -8.140 2.167 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.292 -10.246 1.762 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.019 -8.621 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.290 -7.274 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.542 -7.884 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.884 -7.262 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.138 -9.774 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.597 -9.841 2.020 1.00 0.00 H new ATOM 290 N PHE A 18 -17.577 -5.490 -0.530 1.00 0.00 N ATOM 291 CA PHE A 18 -17.107 -4.125 -0.653 1.00 0.00 C ATOM 292 C PHE A 18 -17.786 -3.484 -1.858 1.00 0.00 C ATOM 293 O PHE A 18 -18.220 -2.333 -1.816 1.00 0.00 O ATOM 294 CB PHE A 18 -15.596 -4.101 -0.865 1.00 0.00 C ATOM 295 CG PHE A 18 -14.848 -4.946 0.131 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.417 -5.384 1.344 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.537 -5.296 -0.189 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.658 -6.160 2.215 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.791 -6.066 0.685 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.348 -6.494 1.883 1.00 0.00 C ATOM 0 H PHE A 18 -16.897 -6.206 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.345 -3.578 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.371 -4.452 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.242 -3.072 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.434 -5.120 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.103 -4.965 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.084 -6.502 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.775 -6.334 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.759 -7.092 2.563 1.00 0.00 H new ATOM 310 N THR A 19 -17.872 -4.266 -2.930 1.00 0.00 N ATOM 311 CA THR A 19 -18.495 -3.828 -4.169 1.00 0.00 C ATOM 312 C THR A 19 -19.997 -3.983 -4.074 1.00 0.00 C ATOM 313 O THR A 19 -20.707 -3.885 -5.073 1.00 0.00 O ATOM 314 CB THR A 19 -17.955 -4.629 -5.366 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.577 -4.903 -5.170 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.135 -3.819 -6.654 1.00 0.00 C ATOM 0 H THR A 19 -17.511 -5.220 -2.962 1.00 0.00 H new ATOM 0 HA THR A 19 -18.252 -2.777 -4.324 1.00 0.00 H new ATOM 0 HB THR A 19 -18.505 -5.566 -5.449 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.476 -5.602 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.751 -4.390 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.194 -3.610 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.588 -2.880 -6.572 1.00 0.00 H new ATOM 324 N THR A 20 -20.483 -4.220 -2.858 1.00 0.00 N ATOM 325 CA THR A 20 -21.919 -4.370 -2.637 1.00 0.00 C ATOM 326 C THR A 20 -22.666 -3.286 -3.407 1.00 0.00 C ATOM 327 O THR A 20 -23.865 -3.397 -3.666 1.00 0.00 O ATOM 328 CB THR A 20 -22.238 -4.282 -1.143 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.646 -4.347 -0.956 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.706 -2.964 -0.580 1.00 0.00 C ATOM 0 H THR A 20 -19.911 -4.312 -2.019 1.00 0.00 H new ATOM 0 HA THR A 20 -22.239 -5.348 -2.997 1.00 0.00 H new ATOM 0 HB THR A 20 -21.763 -5.113 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.852 -4.292 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.935 -2.904 0.484 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.626 -2.917 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.177 -2.130 -1.100 1.00 0.00 H new ATOM 338 N LYS A 21 -21.914 -2.270 -3.828 1.00 0.00 N ATOM 339 CA LYS A 21 -22.455 -1.197 -4.636 1.00 0.00 C ATOM 340 C LYS A 21 -22.792 -1.735 -6.011 1.00 0.00 C ATOM 341 O LYS A 21 -22.804 -0.997 -6.982 1.00 0.00 O ATOM 342 CB LYS A 21 -21.434 -0.073 -4.791 1.00 0.00 C ATOM 343 CG LYS A 21 -21.234 0.617 -3.446 1.00 0.00 C ATOM 344 CD LYS A 21 -20.216 1.746 -3.605 1.00 0.00 C ATOM 345 CE LYS A 21 -20.076 2.493 -2.280 1.00 0.00 C ATOM 346 NZ LYS A 21 -19.548 1.565 -1.240 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.921 -2.175 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.346 -0.806 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.487 -0.474 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.778 0.646 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.182 1.015 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.885 -0.101 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.251 1.340 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.536 2.432 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.404 3.343 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.042 2.891 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.183 2.115 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.312 0.939 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.780 0.992 -1.644 1.00 0.00 H new ATOM 360 N ASP A 22 -23.052 -3.031 -6.103 1.00 0.00 N ATOM 361 CA ASP A 22 -23.383 -3.618 -7.382 1.00 0.00 C ATOM 362 C ASP A 22 -24.783 -3.185 -7.768 1.00 0.00 C ATOM 363 O ASP A 22 -25.597 -3.990 -8.224 1.00 0.00 O ATOM 364 CB ASP A 22 -23.318 -5.142 -7.313 1.00 0.00 C ATOM 365 CG ASP A 22 -21.928 -5.588 -6.873 1.00 0.00 C ATOM 366 OD1 ASP A 22 -20.963 -5.082 -7.423 1.00 0.00 O ATOM 367 OD2 ASP A 22 -21.847 -6.430 -5.994 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.040 -3.683 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.663 -3.280 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.066 -5.514 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.553 -5.568 -8.288 1.00 0.00 H new ATOM 372 N GLN A 23 -25.062 -1.901 -7.562 1.00 0.00 N ATOM 373 CA GLN A 23 -26.378 -1.362 -7.873 1.00 0.00 C ATOM 374 C GLN A 23 -26.772 -1.797 -9.270 1.00 0.00 C ATOM 375 O GLN A 23 -27.832 -2.385 -9.483 1.00 0.00 O ATOM 376 CB GLN A 23 -26.413 0.192 -7.781 1.00 0.00 C ATOM 377 CG GLN A 23 -25.108 0.754 -7.206 1.00 0.00 C ATOM 378 CD GLN A 23 -24.019 0.848 -8.273 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.288 0.648 -9.456 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.792 1.162 -7.913 1.00 0.00 N ATOM 0 H GLN A 23 -24.401 -1.222 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.083 -1.748 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -26.585 0.612 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -27.250 0.501 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -25.291 1.742 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -24.765 0.118 -6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.575 1.327 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.058 1.241 -8.617 1.00 0.00 H new ATOM 389 N ASP A 24 -25.898 -1.496 -10.215 1.00 0.00 N ATOM 390 CA ASP A 24 -26.140 -1.852 -11.612 1.00 0.00 C ATOM 391 C ASP A 24 -24.867 -2.352 -12.277 1.00 0.00 C ATOM 392 O ASP A 24 -24.843 -2.595 -13.481 1.00 0.00 O ATOM 393 CB ASP A 24 -26.656 -0.625 -12.361 1.00 0.00 C ATOM 394 CG ASP A 24 -28.096 -0.328 -11.956 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.701 -1.177 -11.322 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.574 0.745 -12.286 1.00 0.00 O1- ATOM 0 H ASP A 24 -25.018 -1.009 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.880 -2.652 -11.643 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.024 0.236 -12.142 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.601 -0.796 -13.436 1.00 0.00 H new ATOM 401 N LEU A 25 -23.812 -2.491 -11.489 1.00 0.00 N ATOM 402 CA LEU A 25 -22.529 -2.939 -12.033 1.00 0.00 C ATOM 403 C LEU A 25 -22.617 -4.325 -12.628 1.00 0.00 C ATOM 404 O LEU A 25 -23.585 -5.062 -12.435 1.00 0.00 O ATOM 405 CB LEU A 25 -21.440 -2.933 -10.965 1.00 0.00 C ATOM 406 CG LEU A 25 -20.908 -1.519 -10.755 1.00 0.00 C ATOM 407 CD1 LEU A 25 -22.064 -0.577 -10.418 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.910 -1.524 -9.598 1.00 0.00 C ATOM 0 H LEU A 25 -23.812 -2.305 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.272 -2.232 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.839 -3.321 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.626 -3.594 -11.263 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.418 -1.178 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.680 0.432 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.782 -0.574 -11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.556 -0.916 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.527 -0.515 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.407 -1.866 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.083 -2.194 -9.833 1.00 0.00 H new ATOM 420 N ARG A 26 -21.564 -4.651 -13.359 1.00 0.00 N ATOM 421 CA ARG A 26 -21.444 -5.938 -14.020 1.00 0.00 C ATOM 422 C ARG A 26 -20.006 -6.435 -13.938 1.00 0.00 C ATOM 423 O ARG A 26 -19.063 -5.679 -14.156 1.00 0.00 O ATOM 424 CB ARG A 26 -21.848 -5.801 -15.477 1.00 0.00 C ATOM 425 CG ARG A 26 -21.904 -7.188 -16.105 1.00 0.00 C ATOM 426 CD ARG A 26 -22.355 -7.063 -17.555 1.00 0.00 C ATOM 427 NE ARG A 26 -23.723 -6.562 -17.617 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.290 -6.259 -18.779 1.00 0.00 C ATOM 429 NH1 ARG A 26 -23.623 -6.407 -19.890 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.517 -5.813 -18.808 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.769 -4.030 -13.510 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.099 -6.654 -13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.819 -5.312 -15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.132 -5.174 -16.009 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.924 -7.662 -16.056 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.594 -7.824 -15.550 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.689 -6.389 -18.094 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.293 -8.033 -18.047 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.253 -6.442 -16.754 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.665 -6.756 -19.867 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.060 -6.174 -20.782 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.038 -5.698 -17.939 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.954 -5.580 -19.700 1.00 0.00 H new ATOM 444 N TRP A 27 -19.839 -7.711 -13.617 1.00 0.00 N ATOM 445 CA TRP A 27 -18.496 -8.290 -13.504 1.00 0.00 C ATOM 446 C TRP A 27 -18.110 -9.067 -14.756 1.00 0.00 C ATOM 447 O TRP A 27 -18.666 -10.128 -15.043 1.00 0.00 O ATOM 448 CB TRP A 27 -18.418 -9.243 -12.299 1.00 0.00 C ATOM 449 CG TRP A 27 -18.226 -8.488 -11.028 1.00 0.00 C ATOM 450 CD1 TRP A 27 -19.037 -7.522 -10.556 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.164 -8.645 -10.058 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.549 -7.088 -9.335 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.391 -7.754 -8.987 1.00 0.00 C ATOM 454 CE3 TRP A 27 -16.039 -9.477 -10.007 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.528 -7.694 -7.894 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.164 -9.418 -8.914 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.409 -8.532 -7.859 1.00 0.00 C ATOM 0 H TRP A 27 -20.602 -8.362 -13.431 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.804 -7.458 -13.373 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.332 -9.834 -12.240 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.594 -9.943 -12.438 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.922 -7.148 -11.049 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.990 -6.367 -8.764 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.845 -10.168 -10.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.721 -7.008 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.296 -10.060 -8.886 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.733 -8.495 -7.017 1.00 0.00 H new ATOM 468 N GLN A 28 -17.121 -8.547 -15.464 1.00 0.00 N ATOM 469 CA GLN A 28 -16.615 -9.209 -16.653 1.00 0.00 C ATOM 470 C GLN A 28 -15.611 -10.272 -16.226 1.00 0.00 C ATOM 471 O GLN A 28 -15.090 -10.219 -15.112 1.00 0.00 O ATOM 472 CB GLN A 28 -15.923 -8.180 -17.541 1.00 0.00 C ATOM 473 CG GLN A 28 -16.839 -6.971 -17.689 1.00 0.00 C ATOM 474 CD GLN A 28 -18.190 -7.402 -18.229 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.267 -8.083 -19.252 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.262 -7.042 -17.599 1.00 0.00 N ATOM 0 H GLN A 28 -16.654 -7.670 -15.236 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.432 -9.672 -17.206 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.971 -7.882 -17.103 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.703 -8.610 -18.518 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.964 -6.480 -16.724 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.386 -6.242 -18.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.191 -6.478 -16.752 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.178 -7.322 -17.949 1.00 0.00 H new ATOM 485 N SER A 29 -15.330 -11.231 -17.093 1.00 0.00 N ATOM 486 CA SER A 29 -14.374 -12.272 -16.744 1.00 0.00 C ATOM 487 C SER A 29 -13.014 -11.641 -16.473 1.00 0.00 C ATOM 488 O SER A 29 -12.174 -12.217 -15.781 1.00 0.00 O ATOM 489 CB SER A 29 -14.259 -13.287 -17.882 1.00 0.00 C ATOM 490 OG SER A 29 -13.732 -12.643 -19.034 1.00 0.00 O ATOM 0 H SER A 29 -15.739 -11.312 -18.024 1.00 0.00 H new ATOM 0 HA SER A 29 -14.720 -12.789 -15.849 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.612 -14.112 -17.585 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.237 -13.713 -18.105 1.00 0.00 H new ATOM 0 HG SER A 29 -13.655 -13.291 -19.765 1.00 0.00 H new ATOM 496 N MET A 30 -12.815 -10.440 -17.011 1.00 0.00 N ATOM 497 CA MET A 30 -11.563 -9.721 -16.811 1.00 0.00 C ATOM 498 C MET A 30 -11.447 -9.322 -15.348 1.00 0.00 C ATOM 499 O MET A 30 -10.375 -9.356 -14.761 1.00 0.00 O ATOM 500 CB MET A 30 -11.513 -8.462 -17.682 1.00 0.00 C ATOM 501 CG MET A 30 -11.590 -8.853 -19.156 1.00 0.00 C ATOM 502 SD MET A 30 -10.128 -9.819 -19.613 1.00 0.00 S ATOM 503 CE MET A 30 -10.618 -10.179 -21.316 1.00 0.00 C ATOM 0 H MET A 30 -13.500 -9.948 -17.585 1.00 0.00 H new ATOM 0 HA MET A 30 -10.736 -10.373 -17.093 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.340 -7.799 -17.428 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.592 -7.911 -17.489 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.493 -9.434 -19.341 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.654 -7.959 -19.776 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.845 -10.778 -21.798 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.558 -10.731 -21.315 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.747 -9.245 -21.863 1.00 0.00 H new ATOM 513 N ALA A 31 -12.574 -8.958 -14.760 1.00 0.00 N ATOM 514 CA ALA A 31 -12.587 -8.558 -13.363 1.00 0.00 C ATOM 515 C ALA A 31 -11.904 -9.637 -12.532 1.00 0.00 C ATOM 516 O ALA A 31 -11.090 -9.343 -11.660 1.00 0.00 O ATOM 517 CB ALA A 31 -14.029 -8.385 -12.902 1.00 0.00 C ATOM 0 H ALA A 31 -13.483 -8.931 -15.222 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.056 -7.614 -13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.042 -8.085 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.514 -7.618 -13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.563 -9.328 -13.016 1.00 0.00 H new ATOM 523 N ILE A 32 -12.228 -10.885 -12.843 1.00 0.00 N ATOM 524 CA ILE A 32 -11.655 -12.039 -12.164 1.00 0.00 C ATOM 525 C ILE A 32 -10.170 -12.153 -12.487 1.00 0.00 C ATOM 526 O ILE A 32 -9.350 -12.464 -11.625 1.00 0.00 O ATOM 527 CB ILE A 32 -12.383 -13.286 -12.636 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.873 -13.103 -12.334 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.846 -14.513 -11.896 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.680 -14.303 -12.839 1.00 0.00 C ATOM 0 H ILE A 32 -12.897 -11.126 -13.575 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.766 -11.926 -11.086 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.229 -13.435 -13.705 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.020 -12.986 -11.260 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.235 -12.190 -12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.372 -15.404 -12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.780 -14.621 -12.097 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.003 -14.389 -10.824 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.736 -14.152 -12.614 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.549 -14.402 -13.917 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.330 -15.210 -12.346 1.00 0.00 H new ATOM 542 N MET A 33 -9.823 -11.885 -13.735 1.00 0.00 N ATOM 543 CA MET A 33 -8.431 -11.943 -14.145 1.00 0.00 C ATOM 544 C MET A 33 -7.665 -10.932 -13.308 1.00 0.00 C ATOM 545 O MET A 33 -6.531 -11.167 -12.894 1.00 0.00 O ATOM 546 CB MET A 33 -8.301 -11.602 -15.633 1.00 0.00 C ATOM 547 CG MET A 33 -8.928 -12.715 -16.480 1.00 0.00 C ATOM 548 SD MET A 33 -7.991 -14.254 -16.276 1.00 0.00 S ATOM 549 CE MET A 33 -6.500 -13.764 -17.181 1.00 0.00 C ATOM 0 H MET A 33 -10.478 -11.628 -14.474 1.00 0.00 H new ATOM 0 HA MET A 33 -8.031 -12.946 -13.996 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.794 -10.653 -15.842 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.250 -11.480 -15.897 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.965 -12.869 -16.182 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.938 -12.422 -17.530 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.005 -14.652 -17.574 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.775 -13.106 -18.006 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.822 -13.239 -16.508 1.00 0.00 H new ATOM 559 N ALA A 34 -8.323 -9.810 -13.055 1.00 0.00 N ATOM 560 CA ALA A 34 -7.747 -8.744 -12.255 1.00 0.00 C ATOM 561 C ALA A 34 -7.438 -9.251 -10.851 1.00 0.00 C ATOM 562 O ALA A 34 -6.421 -8.887 -10.266 1.00 0.00 O ATOM 563 CB ALA A 34 -8.726 -7.554 -12.200 1.00 0.00 C ATOM 0 H ALA A 34 -9.264 -9.615 -13.397 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.814 -8.412 -12.711 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.293 -6.754 -11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.912 -7.189 -13.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.666 -7.876 -11.752 1.00 0.00 H new ATOM 569 N LEU A 35 -8.320 -10.089 -10.310 1.00 0.00 N ATOM 570 CA LEU A 35 -8.103 -10.619 -8.978 1.00 0.00 C ATOM 571 C LEU A 35 -6.819 -11.437 -8.966 1.00 0.00 C ATOM 572 O LEU A 35 -6.048 -11.396 -8.006 1.00 0.00 O ATOM 573 CB LEU A 35 -9.293 -11.507 -8.556 1.00 0.00 C ATOM 574 CG LEU A 35 -10.424 -10.676 -7.914 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.998 -9.645 -8.890 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.558 -11.612 -7.483 1.00 0.00 C ATOM 0 H LEU A 35 -9.174 -10.407 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.018 -9.792 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.679 -12.036 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.951 -12.263 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.001 -10.149 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.791 -9.081 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.208 -8.962 -9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.403 -10.157 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.359 -11.028 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.944 -12.141 -8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.179 -12.333 -6.759 1.00 0.00 H new ATOM 588 N GLN A 36 -6.605 -12.183 -10.039 1.00 0.00 N ATOM 589 CA GLN A 36 -5.426 -13.017 -10.153 1.00 0.00 C ATOM 590 C GLN A 36 -4.184 -12.151 -10.281 1.00 0.00 C ATOM 591 O GLN A 36 -3.146 -12.430 -9.679 1.00 0.00 O ATOM 592 CB GLN A 36 -5.573 -13.896 -11.385 1.00 0.00 C ATOM 593 CG GLN A 36 -6.778 -14.807 -11.194 1.00 0.00 C ATOM 594 CD GLN A 36 -6.492 -15.828 -10.099 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.556 -16.617 -10.212 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.246 -15.850 -9.040 1.00 0.00 N ATOM 0 H GLN A 36 -7.234 -12.226 -10.841 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.324 -13.637 -9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.702 -13.280 -12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.671 -14.489 -11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.654 -14.214 -10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.009 -15.319 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.021 -15.193 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.062 -16.524 -8.297 1.00 0.00 H new ATOM 605 N GLU A 37 -4.313 -11.087 -11.061 1.00 0.00 N ATOM 606 CA GLU A 37 -3.214 -10.161 -11.260 1.00 0.00 C ATOM 607 C GLU A 37 -2.870 -9.475 -9.952 1.00 0.00 C ATOM 608 O GLU A 37 -1.708 -9.221 -9.651 1.00 0.00 O ATOM 609 CB GLU A 37 -3.606 -9.097 -12.281 1.00 0.00 C ATOM 610 CG GLU A 37 -3.739 -9.734 -13.666 1.00 0.00 C ATOM 611 CD GLU A 37 -2.364 -10.138 -14.190 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.381 -9.675 -13.634 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.316 -10.904 -15.137 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.167 -10.846 -11.564 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.352 -10.721 -11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.549 -8.632 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.855 -8.307 -12.304 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.388 -10.608 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.208 -9.031 -14.355 1.00 0.00 H new ATOM 620 N ALA A 38 -3.909 -9.141 -9.199 1.00 0.00 N ATOM 621 CA ALA A 38 -3.734 -8.439 -7.932 1.00 0.00 C ATOM 622 C ALA A 38 -2.983 -9.259 -6.894 1.00 0.00 C ATOM 623 O ALA A 38 -2.100 -8.738 -6.211 1.00 0.00 O ATOM 624 CB ALA A 38 -5.097 -8.056 -7.372 1.00 0.00 C ATOM 0 H ALA A 38 -4.879 -9.343 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.133 -7.554 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.967 -7.531 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.611 -7.406 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.690 -8.956 -7.210 1.00 0.00 H new ATOM 630 N SER A 39 -3.347 -10.524 -6.742 1.00 0.00 N ATOM 631 CA SER A 39 -2.701 -11.353 -5.747 1.00 0.00 C ATOM 632 C SER A 39 -1.259 -11.665 -6.119 1.00 0.00 C ATOM 633 O SER A 39 -0.369 -11.625 -5.272 1.00 0.00 O ATOM 634 CB SER A 39 -3.484 -12.650 -5.592 1.00 0.00 C ATOM 635 OG SER A 39 -3.467 -13.359 -6.824 1.00 0.00 O ATOM 0 H SER A 39 -4.074 -10.988 -7.287 1.00 0.00 H new ATOM 0 HA SER A 39 -2.687 -10.804 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.046 -13.260 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.511 -12.435 -5.297 1.00 0.00 H new ATOM 0 HG SER A 39 -3.969 -14.195 -6.727 1.00 0.00 H new ATOM 641 N GLU A 40 -1.031 -11.978 -7.385 1.00 0.00 N ATOM 642 CA GLU A 40 0.316 -12.299 -7.839 1.00 0.00 C ATOM 643 C GLU A 40 1.175 -11.039 -7.908 1.00 0.00 C ATOM 644 O GLU A 40 2.385 -11.089 -7.702 1.00 0.00 O ATOM 645 CB GLU A 40 0.258 -12.982 -9.212 1.00 0.00 C ATOM 646 CG GLU A 40 -0.131 -11.973 -10.289 1.00 0.00 C ATOM 647 CD GLU A 40 -0.420 -12.703 -11.599 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.369 -13.923 -11.596 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.682 -12.034 -12.584 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.749 -12.017 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 40 0.771 -12.983 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.227 -13.421 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.465 -13.798 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.010 -11.411 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.674 -11.252 -10.433 1.00 0.00 H new ATOM 656 N ALA A 41 0.533 -9.913 -8.199 1.00 0.00 N ATOM 657 CA ALA A 41 1.240 -8.643 -8.295 1.00 0.00 C ATOM 658 C ALA A 41 1.682 -8.166 -6.927 1.00 0.00 C ATOM 659 O ALA A 41 2.798 -7.675 -6.755 1.00 0.00 O ATOM 660 CB ALA A 41 0.340 -7.586 -8.940 1.00 0.00 C ATOM 0 H ALA A 41 -0.471 -9.854 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 41 2.124 -8.794 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.879 -6.641 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.055 -7.912 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.555 -7.451 -8.333 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.812 -8.099 4.978 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.291 -6.754 5.248 1.00 0.00 C ATOM 1216 C ALA A 75 -5.688 -5.734 4.292 1.00 0.00 C ATOM 1217 O ALA A 75 -6.278 -4.679 4.053 1.00 0.00 O ATOM 1218 CB ALA A 75 -5.983 -6.347 6.687 1.00 0.00 C ATOM 0 HA ALA A 75 -7.371 -6.767 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.351 -5.337 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.472 -7.038 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.906 -6.375 6.850 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.513 -6.029 3.743 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.886 -5.093 2.824 1.00 0.00 C ATOM 1226 C VAL A 76 -4.529 -5.261 1.461 1.00 0.00 C ATOM 1227 O VAL A 76 -4.719 -4.291 0.726 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.353 -5.302 2.785 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.937 -6.279 1.675 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.658 -3.957 2.555 1.00 0.00 C ATOM 0 H VAL A 76 -3.989 -6.887 3.914 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.042 -4.068 3.160 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.053 -5.728 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.854 -6.398 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.409 -7.246 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.253 -5.887 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.578 -4.105 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.990 -3.533 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.910 -3.274 3.366 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.917 -6.495 1.152 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.605 -6.744 -0.103 1.00 0.00 C ATOM 1242 C LEU A 77 -6.956 -6.081 -0.040 1.00 0.00 C ATOM 1243 O LEU A 77 -7.439 -5.522 -1.015 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.792 -8.232 -0.382 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.466 -8.887 -0.792 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.711 -10.385 -0.958 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.962 -8.303 -2.130 1.00 0.00 C ATOM 0 H LEU A 77 -4.770 -7.317 1.738 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.995 -6.338 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.186 -8.725 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.528 -8.367 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.712 -8.697 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.782 -10.875 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.061 -10.803 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.465 -10.547 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.021 -8.780 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.702 -8.487 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.807 -7.229 -2.023 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.545 -6.141 1.138 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.822 -5.541 1.373 1.00 0.00 C ATOM 1261 C LYS A 78 -8.745 -4.062 1.059 1.00 0.00 C ATOM 1262 O LYS A 78 -9.614 -3.510 0.390 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.191 -5.780 2.833 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.402 -4.962 3.202 1.00 0.00 C ATOM 1265 CD LYS A 78 -10.935 -5.425 4.554 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.076 -4.509 4.969 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.643 -4.969 6.266 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.144 -6.609 1.951 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.588 -5.979 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.394 -6.838 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.353 -5.513 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.141 -3.905 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.173 -5.069 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.283 -6.456 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.141 -5.402 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.717 -3.484 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.851 -4.507 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.423 -4.340 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.001 -5.940 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.902 -4.948 6.996 1.00 0.00 H new ATOM 1281 N SER A 79 -7.679 -3.433 1.514 1.00 0.00 N ATOM 1282 CA SER A 79 -7.477 -2.025 1.239 1.00 0.00 C ATOM 1283 C SER A 79 -7.385 -1.802 -0.263 1.00 0.00 C ATOM 1284 O SER A 79 -8.012 -0.893 -0.809 1.00 0.00 O ATOM 1285 CB SER A 79 -6.205 -1.551 1.926 1.00 0.00 C ATOM 1286 OG SER A 79 -5.880 -0.243 1.476 1.00 0.00 O ATOM 0 H SER A 79 -6.945 -3.871 2.071 1.00 0.00 H new ATOM 0 HA SER A 79 -8.321 -1.453 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.342 -1.551 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.385 -2.236 1.708 1.00 0.00 H new ATOM 0 HG SER A 79 -5.061 0.062 1.920 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.618 -2.655 -0.928 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.464 -2.570 -2.364 1.00 0.00 C ATOM 1294 C PHE A 80 -7.811 -2.761 -3.056 1.00 0.00 C ATOM 1295 O PHE A 80 -8.211 -1.951 -3.883 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.469 -3.646 -2.823 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.609 -3.870 -4.307 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.199 -2.881 -5.198 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.186 -5.058 -4.783 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.362 -3.071 -6.570 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.345 -5.250 -6.156 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.935 -4.255 -7.052 1.00 0.00 C ATOM 0 H PHE A 80 -6.094 -3.413 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.084 -1.584 -2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.451 -3.337 -2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.652 -4.577 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.756 -1.969 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.506 -5.821 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.046 -2.304 -7.262 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.784 -6.165 -6.527 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.061 -4.400 -8.115 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.502 -3.839 -2.716 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.790 -4.116 -3.330 1.00 0.00 C ATOM 1314 C LEU A 81 -10.766 -2.978 -3.055 1.00 0.00 C ATOM 1315 O LEU A 81 -11.444 -2.512 -3.955 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.381 -5.404 -2.751 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.578 -6.634 -3.202 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.105 -7.867 -2.452 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.708 -6.849 -4.726 1.00 0.00 C ATOM 0 H LEU A 81 -8.197 -4.527 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.636 -4.221 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.386 -5.348 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.418 -5.507 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.524 -6.477 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.544 -8.749 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.984 -7.719 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.161 -8.009 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.131 -7.725 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.756 -7.001 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.329 -5.972 -5.251 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.827 -2.531 -1.807 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.735 -1.451 -1.437 1.00 0.00 C ATOM 1333 C GLU A 82 -11.445 -0.192 -2.238 1.00 0.00 C ATOM 1334 O GLU A 82 -12.347 0.414 -2.813 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.548 -1.154 0.050 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.131 -2.301 0.884 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.642 -2.138 1.032 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.177 -1.199 0.465 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.239 -2.951 1.717 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.264 -2.896 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.759 -1.760 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.489 -1.030 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.041 -0.217 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.907 -3.256 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.663 -2.318 1.868 1.00 0.00 H new ATOM 1346 N SER A 83 -10.181 0.182 -2.284 1.00 0.00 N ATOM 1347 CA SER A 83 -9.768 1.360 -3.033 1.00 0.00 C ATOM 1348 C SER A 83 -10.035 1.175 -4.513 1.00 0.00 C ATOM 1349 O SER A 83 -10.402 2.116 -5.212 1.00 0.00 O ATOM 1350 CB SER A 83 -8.284 1.627 -2.827 1.00 0.00 C ATOM 1351 OG SER A 83 -7.908 2.785 -3.560 1.00 0.00 O ATOM 0 H SER A 83 -9.421 -0.310 -1.814 1.00 0.00 H new ATOM 0 HA SER A 83 -10.346 2.208 -2.666 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.072 1.769 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.699 0.768 -3.157 1.00 0.00 H new ATOM 0 HG SER A 83 -6.953 2.960 -3.428 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.818 -0.038 -4.988 1.00 0.00 N ATOM 1358 CA VAL A 84 -10.004 -0.332 -6.391 1.00 0.00 C ATOM 1359 C VAL A 84 -11.432 -0.057 -6.800 1.00 0.00 C ATOM 1360 O VAL A 84 -11.683 0.504 -7.856 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.638 -1.794 -6.676 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.082 -2.176 -8.097 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.106 -1.987 -6.536 1.00 0.00 C ATOM 0 H VAL A 84 -9.514 -0.831 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.347 0.313 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.148 -2.436 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.819 -3.215 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.161 -2.051 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.581 -1.532 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.850 -3.027 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.591 -1.341 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.798 -1.729 -5.523 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.360 -0.458 -5.957 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.759 -0.245 -6.231 1.00 0.00 C ATOM 1375 C ILE A 85 -14.039 1.234 -6.259 1.00 0.00 C ATOM 1376 O ILE A 85 -14.732 1.731 -7.134 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.584 -0.890 -5.139 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.315 -2.391 -5.186 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.082 -0.609 -5.366 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.936 -3.086 -3.977 1.00 0.00 C ATOM 0 H ILE A 85 -12.167 -0.934 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.017 -0.685 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.313 -0.484 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.725 -2.811 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.240 -2.573 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.664 -1.079 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.256 0.467 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.387 -1.016 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.733 -4.156 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.505 -2.679 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.013 -2.920 -3.976 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.489 1.941 -5.288 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.699 3.360 -5.224 1.00 0.00 C ATOM 1394 C ARG A 86 -13.155 4.016 -6.478 1.00 0.00 C ATOM 1395 O ARG A 86 -13.767 4.925 -7.033 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.007 3.909 -3.981 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.755 3.414 -2.742 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.157 4.057 -1.489 1.00 0.00 C ATOM 1399 NE ARG A 86 -13.850 3.579 -0.298 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.528 4.030 0.909 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -12.572 4.908 1.044 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -14.166 3.595 1.962 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.903 1.555 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.765 3.577 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.968 3.580 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.996 4.999 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.813 3.663 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.687 2.328 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.095 3.819 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.237 5.142 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.594 2.887 -0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.072 5.248 0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.325 5.254 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.913 2.908 1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.918 3.942 2.888 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.011 3.535 -6.930 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.398 4.068 -8.131 1.00 0.00 C ATOM 1418 C ASP A 87 -12.126 3.598 -9.383 1.00 0.00 C ATOM 1419 O ASP A 87 -12.171 4.289 -10.397 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.940 3.615 -8.191 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.117 4.354 -7.141 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.621 5.322 -6.595 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -7.996 3.941 -6.896 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.490 2.779 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.458 5.156 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.878 2.540 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.533 3.806 -9.184 1.00 0.00 H new ATOM 1428 N SER A 88 -12.657 2.399 -9.298 1.00 0.00 N ATOM 1429 CA SER A 88 -13.348 1.779 -10.422 1.00 0.00 C ATOM 1430 C SER A 88 -14.716 2.377 -10.629 1.00 0.00 C ATOM 1431 O SER A 88 -15.099 2.696 -11.745 1.00 0.00 O ATOM 1432 CB SER A 88 -13.479 0.274 -10.214 1.00 0.00 C ATOM 1433 OG SER A 88 -12.183 -0.303 -10.118 1.00 0.00 O ATOM 0 H SER A 88 -12.626 1.824 -8.456 1.00 0.00 H new ATOM 0 HA SER A 88 -12.748 1.970 -11.312 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.049 0.069 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.028 -0.173 -11.043 1.00 0.00 H new ATOM 0 HG SER A 88 -11.705 0.090 -9.358 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.442 2.552 -9.546 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.749 3.145 -9.632 1.00 0.00 C ATOM 1441 C VAL A 89 -16.551 4.558 -10.123 1.00 0.00 C ATOM 1442 O VAL A 89 -17.329 5.079 -10.907 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.457 3.117 -8.269 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.750 3.915 -8.363 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.798 1.671 -7.890 1.00 0.00 C ATOM 0 H VAL A 89 -15.148 2.293 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.388 2.588 -10.317 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.800 3.548 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.258 3.899 -7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.523 4.945 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.396 3.472 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.300 1.657 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.456 1.242 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.881 1.084 -7.832 1.00 0.00 H new ATOM 1455 N THR A 90 -15.470 5.153 -9.656 1.00 0.00 N ATOM 1456 CA THR A 90 -15.115 6.499 -10.038 1.00 0.00 C ATOM 1457 C THR A 90 -14.865 6.608 -11.543 1.00 0.00 C ATOM 1458 O THR A 90 -15.391 7.505 -12.203 1.00 0.00 O ATOM 1459 CB THR A 90 -13.870 6.920 -9.256 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.203 7.050 -7.881 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.328 8.249 -9.787 1.00 0.00 C ATOM 0 H THR A 90 -14.818 4.716 -9.004 1.00 0.00 H new ATOM 0 HA THR A 90 -15.946 7.164 -9.802 1.00 0.00 H new ATOM 0 HB THR A 90 -13.099 6.159 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.720 6.374 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.442 8.534 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.065 8.140 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.090 9.021 -9.681 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.071 5.690 -12.084 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.780 5.699 -13.513 1.00 0.00 C ATOM 1471 C TYR A 91 -14.997 5.247 -14.298 1.00 0.00 C ATOM 1472 O TYR A 91 -15.264 5.749 -15.388 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.587 4.784 -13.838 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.270 5.489 -13.539 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.936 6.670 -14.220 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.380 4.964 -12.585 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.728 7.321 -13.948 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.172 5.620 -12.316 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.848 6.797 -12.996 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.658 7.442 -12.729 1.00 0.00 O ATOM 0 H TYR A 91 -13.622 4.938 -11.561 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.523 6.719 -13.798 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.655 3.867 -13.252 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.620 4.495 -14.888 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.613 7.077 -14.956 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.628 4.054 -12.059 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.475 8.230 -14.474 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.490 5.216 -11.582 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.165 6.947 -12.042 1.00 0.00 H new ATOM 1490 N THR A 92 -15.740 4.295 -13.747 1.00 0.00 N ATOM 1491 CA THR A 92 -16.922 3.824 -14.446 1.00 0.00 C ATOM 1492 C THR A 92 -17.948 4.929 -14.432 1.00 0.00 C ATOM 1493 O THR A 92 -18.520 5.276 -15.460 1.00 0.00 O ATOM 1494 CB THR A 92 -17.497 2.577 -13.772 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.800 2.887 -12.435 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.496 1.412 -13.833 1.00 0.00 C ATOM 0 H THR A 92 -15.552 3.849 -12.849 1.00 0.00 H new ATOM 0 HA THR A 92 -16.656 3.558 -15.469 1.00 0.00 H new ATOM 0 HB THR A 92 -18.401 2.267 -14.297 1.00 0.00 H new ATOM 0 HG1 THR A 92 -18.556 2.340 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.927 0.536 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.274 1.177 -14.874 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.576 1.695 -13.321 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.127 5.527 -13.268 1.00 0.00 N ATOM 1505 CA GLU A 93 -19.045 6.639 -13.154 1.00 0.00 C ATOM 1506 C GLU A 93 -18.566 7.769 -14.044 1.00 0.00 C ATOM 1507 O GLU A 93 -19.370 8.471 -14.658 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.143 7.109 -11.712 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.955 6.096 -10.905 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.432 6.198 -11.274 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.789 7.149 -11.949 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.182 5.323 -10.878 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.656 5.265 -12.402 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.038 6.319 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.146 7.217 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.617 8.090 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.592 5.087 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.825 6.280 -9.839 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.248 7.925 -14.134 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.691 8.961 -14.987 1.00 0.00 C ATOM 1521 C HIS A 94 -17.161 8.698 -16.399 1.00 0.00 C ATOM 1522 O HIS A 94 -17.488 9.610 -17.159 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.165 8.947 -14.931 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.621 10.093 -15.737 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.727 11.409 -15.316 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -13.958 10.137 -16.939 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -14.143 12.182 -16.249 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.657 11.458 -17.260 1.00 0.00 N ATOM 0 H HIS A 94 -16.561 7.358 -13.637 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.025 9.941 -14.647 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.828 9.024 -13.897 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.785 8.002 -15.321 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.708 9.278 -17.543 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.075 13.258 -16.188 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.170 11.799 -18.089 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.216 7.417 -16.712 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.678 6.943 -18.011 1.00 0.00 C ATOM 1538 C ALA A 95 -19.123 6.489 -17.878 1.00 0.00 C ATOM 1539 O ALA A 95 -19.614 5.688 -18.672 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.807 5.778 -18.487 1.00 0.00 C ATOM 0 H ALA A 95 -16.942 6.671 -16.073 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.607 7.748 -18.742 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.161 5.432 -19.458 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.772 6.110 -18.575 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.866 4.962 -17.767 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.787 7.010 -16.840 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.182 6.679 -16.543 1.00 0.00 C ATOM 1548 C LYS A 96 -21.463 5.221 -16.878 1.00 0.00 C ATOM 1549 O LYS A 96 -22.534 4.861 -17.367 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.173 7.617 -17.272 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.594 8.152 -18.596 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.653 7.069 -19.711 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.782 7.380 -20.702 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.514 8.688 -21.366 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.372 7.672 -16.184 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.334 6.829 -15.474 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.100 7.080 -17.473 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.424 8.455 -16.622 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.153 9.033 -18.911 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.561 8.466 -18.444 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.700 7.028 -20.238 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.813 6.087 -19.265 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.853 6.589 -21.448 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -23.739 7.414 -20.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.876 8.663 -22.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.989 9.448 -20.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.489 8.866 -21.382 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.479 4.397 -16.599 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.574 2.967 -16.850 1.00 0.00 C ATOM 1570 C ARG A 97 -20.868 2.232 -15.560 1.00 0.00 C ATOM 1571 O ARG A 97 -20.684 2.758 -14.462 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.256 2.438 -17.442 1.00 0.00 C ATOM 1573 CG ARG A 97 -19.492 1.104 -18.179 1.00 0.00 C ATOM 1574 CD ARG A 97 -18.210 0.657 -18.889 1.00 0.00 C ATOM 1575 NE ARG A 97 -18.096 1.339 -20.164 1.00 0.00 N ATOM 1576 CZ ARG A 97 -16.980 1.275 -20.885 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -15.951 0.612 -20.436 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -16.914 1.878 -22.041 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.591 4.692 -16.193 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.382 2.797 -17.561 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.839 3.172 -18.131 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.524 2.296 -16.647 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.809 0.339 -17.470 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -20.297 1.219 -18.905 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.342 0.879 -18.268 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.225 -0.422 -19.043 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.887 1.878 -20.515 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.002 0.142 -19.532 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -15.095 0.563 -20.989 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.718 2.398 -22.391 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.058 1.829 -22.594 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.304 1.003 -15.716 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.611 0.135 -14.592 1.00 0.00 C ATOM 1594 C LYS A 98 -21.076 -1.257 -14.922 1.00 0.00 C ATOM 1595 O LYS A 98 -21.816 -2.147 -15.345 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.131 0.107 -14.308 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.955 0.549 -15.539 1.00 0.00 C ATOM 1598 CD LYS A 98 -24.281 2.045 -15.456 1.00 0.00 C ATOM 1599 CE LYS A 98 -24.859 2.518 -16.790 1.00 0.00 C ATOM 1600 NZ LYS A 98 -26.141 1.808 -17.056 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.458 0.572 -16.627 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.137 0.509 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.427 -0.900 -14.015 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.355 0.762 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.396 0.342 -16.452 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -24.878 -0.028 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -24.995 2.228 -14.653 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -23.381 2.611 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.026 3.595 -16.765 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -24.150 2.324 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.634 2.267 -17.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.945 0.816 -17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -26.741 1.845 -16.207 1.00 0.00 H new ATOM 1614 N THR A 99 -19.767 -1.406 -14.758 1.00 0.00 N ATOM 1615 CA THR A 99 -19.078 -2.655 -15.066 1.00 0.00 C ATOM 1616 C THR A 99 -17.675 -2.644 -14.459 1.00 0.00 C ATOM 1617 O THR A 99 -17.042 -1.592 -14.375 1.00 0.00 O ATOM 1618 CB THR A 99 -18.973 -2.802 -16.584 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.276 -2.850 -17.146 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.218 -4.084 -16.926 1.00 0.00 C ATOM 0 H THR A 99 -19.155 -0.668 -14.409 1.00 0.00 H new ATOM 0 HA THR A 99 -19.638 -3.491 -14.647 1.00 0.00 H new ATOM 0 HB THR A 99 -18.433 -1.948 -16.994 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.933 -3.010 -16.436 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.145 -4.185 -18.009 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.217 -4.042 -16.497 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.752 -4.941 -16.516 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.183 -3.814 -14.052 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.838 -3.914 -13.473 1.00 0.00 C ATOM 1630 C VAL A 100 -14.919 -4.601 -14.473 1.00 0.00 C ATOM 1631 O VAL A 100 -15.214 -5.704 -14.933 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.872 -4.732 -12.178 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.487 -4.723 -11.527 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.897 -4.118 -11.218 1.00 0.00 C ATOM 0 H VAL A 100 -17.687 -4.699 -14.110 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.472 -2.912 -13.248 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.155 -5.760 -12.404 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.514 -5.306 -10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.760 -5.160 -12.212 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.199 -3.697 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.924 -4.698 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.614 -3.090 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.883 -4.129 -11.683 1.00 0.00 H new ATOM 1644 N THR A 101 -13.813 -3.945 -14.822 1.00 0.00 N ATOM 1645 CA THR A 101 -12.871 -4.512 -15.789 1.00 0.00 C ATOM 1646 C THR A 101 -11.459 -4.519 -15.234 1.00 0.00 C ATOM 1647 O THR A 101 -11.088 -3.663 -14.432 1.00 0.00 O ATOM 1648 CB THR A 101 -12.889 -3.677 -17.072 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.441 -2.361 -16.780 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.312 -3.614 -17.630 1.00 0.00 C ATOM 0 H THR A 101 -13.548 -3.031 -14.455 1.00 0.00 H new ATOM 0 HA THR A 101 -13.176 -5.538 -15.997 1.00 0.00 H new ATOM 0 HB THR A 101 -12.233 -4.137 -17.811 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.449 -1.823 -17.599 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.319 -3.019 -18.543 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.661 -4.623 -17.852 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.972 -3.156 -16.893 1.00 0.00 H new ATOM 1658 N SER A 102 -10.668 -5.481 -15.691 1.00 0.00 N ATOM 1659 CA SER A 102 -9.284 -5.584 -15.258 1.00 0.00 C ATOM 1660 C SER A 102 -8.536 -4.341 -15.676 1.00 0.00 C ATOM 1661 O SER A 102 -7.471 -4.021 -15.154 1.00 0.00 O ATOM 1662 CB SER A 102 -8.609 -6.798 -15.895 1.00 0.00 C ATOM 1663 OG SER A 102 -8.560 -6.616 -17.304 1.00 0.00 O ATOM 0 H SER A 102 -10.960 -6.196 -16.357 1.00 0.00 H new ATOM 0 HA SER A 102 -9.268 -5.693 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.602 -6.921 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.161 -7.706 -15.652 1.00 0.00 H new ATOM 0 HG SER A 102 -8.126 -7.391 -17.719 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.105 -3.658 -16.639 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.500 -2.449 -17.153 1.00 0.00 C ATOM 1671 C LEU A 103 -8.579 -1.344 -16.105 1.00 0.00 C ATOM 1672 O LEU A 103 -7.589 -0.686 -15.795 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.242 -2.034 -18.432 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.335 -1.203 -19.355 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -7.766 -0.001 -18.592 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -7.182 -2.066 -19.915 1.00 0.00 C ATOM 0 H LEU A 103 -9.986 -3.917 -17.084 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.449 -2.624 -17.384 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.587 -2.923 -18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.128 -1.455 -18.170 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.935 -0.845 -20.192 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.125 0.581 -19.255 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.584 0.625 -18.237 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.183 -0.353 -17.741 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.554 -1.457 -20.565 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.583 -2.453 -19.090 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.594 -2.898 -20.485 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.761 -1.151 -15.552 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.942 -0.136 -14.538 1.00 0.00 C ATOM 1690 C ASP A 104 -9.071 -0.480 -13.343 1.00 0.00 C ATOM 1691 O ASP A 104 -8.536 0.400 -12.668 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.422 -0.076 -14.143 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.776 1.294 -13.590 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.872 1.996 -13.171 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.951 1.621 -13.602 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.602 -1.679 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.648 0.843 -14.916 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.044 -0.295 -15.011 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.635 -0.841 -13.397 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.908 -1.773 -13.115 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.067 -2.241 -12.028 1.00 0.00 C ATOM 1702 C VAL A 105 -6.637 -1.806 -12.293 1.00 0.00 C ATOM 1703 O VAL A 105 -5.937 -1.333 -11.400 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.142 -3.763 -11.940 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.088 -4.273 -10.947 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.544 -4.187 -11.473 1.00 0.00 C ATOM 0 H VAL A 105 -9.345 -2.513 -13.665 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.409 -1.817 -11.084 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.948 -4.192 -12.923 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.142 -5.360 -10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.095 -3.978 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.277 -3.843 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.594 -5.274 -11.411 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.746 -3.758 -10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.288 -3.830 -12.185 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.226 -1.958 -13.544 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.892 -1.565 -13.956 1.00 0.00 C ATOM 1718 C VAL A 106 -4.687 -0.073 -13.728 1.00 0.00 C ATOM 1719 O VAL A 106 -3.626 0.350 -13.280 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.676 -1.953 -15.429 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.496 -1.180 -16.009 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.368 -3.451 -15.510 1.00 0.00 C ATOM 0 H VAL A 106 -6.800 -2.351 -14.290 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.150 -2.090 -13.354 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.577 -1.716 -15.995 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.353 -1.463 -17.052 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.696 -0.110 -15.947 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.594 -1.413 -15.443 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.213 -3.735 -16.551 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.467 -3.669 -14.937 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.204 -4.017 -15.100 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.705 0.716 -14.021 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.616 2.150 -13.819 1.00 0.00 C ATOM 1734 C TYR A 107 -5.391 2.417 -12.342 1.00 0.00 C ATOM 1735 O TYR A 107 -4.566 3.245 -11.956 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.928 2.804 -14.261 1.00 0.00 C ATOM 1737 CG TYR A 107 -6.923 3.092 -15.744 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.162 2.324 -16.646 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -7.693 4.151 -16.212 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.183 2.634 -18.011 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -7.718 4.459 -17.576 1.00 0.00 C ATOM 1742 CZ TYR A 107 -6.960 3.700 -18.476 1.00 0.00 C ATOM 1743 OH TYR A 107 -6.981 4.002 -19.824 1.00 0.00 O ATOM 0 H TYR A 107 -6.596 0.391 -14.397 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.792 2.562 -14.402 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.764 2.148 -14.018 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.079 3.731 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.565 1.499 -16.286 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.275 4.739 -15.518 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.598 2.049 -18.706 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -8.321 5.280 -17.934 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.571 4.769 -19.978 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.140 1.694 -11.525 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.037 1.833 -10.088 1.00 0.00 C ATOM 1755 C ALA A 108 -4.634 1.452 -9.628 1.00 0.00 C ATOM 1756 O ALA A 108 -4.041 2.120 -8.782 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.081 0.954 -9.397 1.00 0.00 C ATOM 0 H ALA A 108 -6.825 1.006 -11.836 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.225 2.872 -9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.994 1.067 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.079 1.257 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.915 -0.089 -9.667 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.101 0.382 -10.209 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.759 -0.066 -9.872 1.00 0.00 C ATOM 1765 C LEU A 109 -1.717 0.946 -10.346 1.00 0.00 C ATOM 1766 O LEU A 109 -0.706 1.175 -9.681 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.488 -1.460 -10.483 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.041 -2.588 -9.595 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.065 -3.901 -10.392 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.139 -2.794 -8.361 1.00 0.00 C ATOM 0 H LEU A 109 -4.576 -0.186 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.683 -0.145 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.943 -1.519 -11.472 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.415 -1.596 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.046 -2.312 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.457 -4.701 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.702 -3.783 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.053 -4.152 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.545 -3.595 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.133 -3.060 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.101 -1.872 -7.780 1.00 0.00 H new