USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 837 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 GLN : amide:sc= -0.0247 K(o=-0.025,f=-2.7!) USER MOD Single : A 16 THR OG1 : rot -140:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.52! C(o=-2.8!,f=-1.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -147:sc= -0.175 USER MOD Single : A 32 LYS NZ :NH3+ -124:sc= 1.27 (180deg=-0.437) USER MOD Single : A 42 SER OG : rot 14:sc= 0.798 USER MOD Single : A 57 MET CE :methyl 166:sc= -1.12 (180deg=-1.67) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.266 F(o=-1.3,f=-0.27) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.844 F(o=-2.3,f=-0.84) USER MOD Single : A 79 GLN : amide:sc= 0.24 K(o=0.24,f=-11!) USER MOD Single : A 80 SER OG : rot -130:sc= -0.319 USER MOD Single : A 88 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 85:sc= -1.08 USER MOD Single : A 99 THR OG1 : rot -170:sc= -0.111 USER MOD Single : A 102 LYS NZ :NH3+ -150:sc= 1.08 (180deg=0.0878) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc=-0.00537 X(o=-0.0054,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -134:sc= -0.289 (180deg=-1.22!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 15.144 2.314 6.105 1.00 0.00 N ATOM 126 CA LEU A 10 13.877 1.594 6.100 1.00 0.00 C ATOM 127 C LEU A 10 13.742 0.764 4.829 1.00 0.00 C ATOM 128 O LEU A 10 13.336 -0.395 4.876 1.00 0.00 O ATOM 129 CB LEU A 10 12.708 2.573 6.213 1.00 0.00 C ATOM 130 CG LEU A 10 11.328 1.924 6.335 1.00 0.00 C ATOM 131 CD1 LEU A 10 11.230 1.114 7.620 1.00 0.00 C ATOM 132 CD2 LEU A 10 10.241 2.983 6.287 1.00 0.00 C ATOM 0 HA LEU A 10 13.859 0.924 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.871 3.210 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.711 3.222 5.337 1.00 0.00 H new ATOM 0 HG LEU A 10 11.188 1.246 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.242 0.660 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.989 0.332 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.389 1.769 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.265 2.506 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.379 3.683 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.298 3.521 5.341 1.00 0.00 H new ATOM 144 N TRP A 11 14.108 1.362 3.699 1.00 0.00 N ATOM 145 CA TRP A 11 14.072 0.670 2.414 1.00 0.00 C ATOM 146 C TRP A 11 14.948 -0.580 2.435 1.00 0.00 C ATOM 147 O TRP A 11 14.551 -1.632 1.935 1.00 0.00 O ATOM 148 CB TRP A 11 14.516 1.599 1.281 1.00 0.00 C ATOM 149 CG TRP A 11 13.378 2.140 0.464 1.00 0.00 C ATOM 150 CD1 TRP A 11 13.186 3.434 0.069 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.272 1.395 -0.059 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.038 3.532 -0.682 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.456 2.295 -0.771 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.892 0.051 0.004 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.289 1.893 -1.415 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.735 -0.344 -0.634 1.00 0.00 C ATOM 157 CH2 TRP A 11 9.947 0.572 -1.337 1.00 0.00 C ATOM 0 H TRP A 11 14.434 2.327 3.647 1.00 0.00 H new ATOM 0 HA TRP A 11 13.041 0.366 2.235 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.076 2.433 1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.198 1.058 0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.840 4.259 0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.678 4.388 -1.105 1.00 0.00 H new ATOM 0 HE3 TRP A 11 12.494 -0.665 0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.677 2.599 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.432 -1.380 -0.590 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.049 0.229 -1.829 1.00 0.00 H new ATOM 168 N GLN A 12 16.126 -0.467 3.035 1.00 0.00 N ATOM 169 CA GLN A 12 17.060 -1.584 3.097 1.00 0.00 C ATOM 170 C GLN A 12 16.472 -2.722 3.930 1.00 0.00 C ATOM 171 O GLN A 12 16.624 -3.895 3.591 1.00 0.00 O ATOM 172 CB GLN A 12 18.402 -1.116 3.672 1.00 0.00 C ATOM 173 CG GLN A 12 19.505 -2.167 3.615 1.00 0.00 C ATOM 174 CD GLN A 12 19.771 -2.828 4.958 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.881 -2.947 5.797 1.00 0.00 O ATOM 176 NE2 GLN A 12 21.003 -3.269 5.169 1.00 0.00 N ATOM 0 H GLN A 12 16.457 0.386 3.485 1.00 0.00 H new ATOM 0 HA GLN A 12 17.233 -1.960 2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.730 -0.231 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.255 -0.815 4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.232 -2.932 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.424 -1.702 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.716 -3.153 4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.238 -3.725 6.051 1.00 0.00 H new ATOM 185 N ARG A 13 15.778 -2.357 5.002 1.00 0.00 N ATOM 186 CA ARG A 13 15.151 -3.333 5.884 1.00 0.00 C ATOM 187 C ARG A 13 13.922 -3.960 5.230 1.00 0.00 C ATOM 188 O ARG A 13 13.555 -5.093 5.543 1.00 0.00 O ATOM 189 CB ARG A 13 14.769 -2.683 7.216 1.00 0.00 C ATOM 190 CG ARG A 13 15.970 -2.242 8.039 1.00 0.00 C ATOM 191 CD ARG A 13 16.840 -3.427 8.421 1.00 0.00 C ATOM 192 NE ARG A 13 16.161 -4.330 9.349 1.00 0.00 N ATOM 193 CZ ARG A 13 16.162 -5.661 9.239 1.00 0.00 C ATOM 194 NH1 ARG A 13 16.792 -6.257 8.232 1.00 0.00 N ATOM 195 NH2 ARG A 13 15.529 -6.398 10.140 1.00 0.00 N ATOM 0 H ARG A 13 15.635 -1.387 5.282 1.00 0.00 H new ATOM 0 HA ARG A 13 15.875 -4.126 6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.134 -1.819 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.177 -3.388 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.560 -1.523 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.629 -1.732 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.120 -3.975 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.763 -3.067 8.876 1.00 0.00 H new ATOM 0 HE ARG A 13 15.654 -3.917 10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.281 -5.697 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.786 -7.274 8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.042 -5.949 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.528 -7.415 10.058 1.00 0.00 H new ATOM 209 N LEU A 14 13.275 -3.218 4.339 1.00 0.00 N ATOM 210 CA LEU A 14 12.129 -3.747 3.612 1.00 0.00 C ATOM 211 C LEU A 14 12.570 -4.834 2.635 1.00 0.00 C ATOM 212 O LEU A 14 12.083 -5.965 2.697 1.00 0.00 O ATOM 213 CB LEU A 14 11.379 -2.629 2.876 1.00 0.00 C ATOM 214 CG LEU A 14 10.706 -1.590 3.782 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.902 -0.603 2.952 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.816 -2.267 4.814 1.00 0.00 C ATOM 0 H LEU A 14 13.522 -2.257 4.104 1.00 0.00 H new ATOM 0 HA LEU A 14 11.445 -4.190 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.080 -2.115 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.618 -3.081 2.240 1.00 0.00 H new ATOM 0 HG LEU A 14 11.486 -1.044 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.431 0.127 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.564 -0.089 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.133 -1.138 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.350 -1.510 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.042 -2.843 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.418 -2.934 5.432 1.00 0.00 H new ATOM 228 N LEU A 15 13.541 -4.508 1.782 1.00 0.00 N ATOM 229 CA LEU A 15 14.029 -5.438 0.759 1.00 0.00 C ATOM 230 C LEU A 15 14.451 -6.782 1.352 1.00 0.00 C ATOM 231 O LEU A 15 14.461 -7.799 0.651 1.00 0.00 O ATOM 232 CB LEU A 15 15.199 -4.823 -0.015 1.00 0.00 C ATOM 233 CG LEU A 15 14.812 -3.992 -1.243 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.979 -2.782 -0.853 1.00 0.00 C ATOM 235 CD2 LEU A 15 16.056 -3.559 -1.998 1.00 0.00 C ATOM 0 H LEU A 15 14.009 -3.602 1.778 1.00 0.00 H new ATOM 0 HA LEU A 15 13.199 -5.622 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.770 -4.191 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.862 -5.626 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 15 14.203 -4.619 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.721 -2.214 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.066 -3.113 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.551 -2.150 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.767 -2.969 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.687 -2.956 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.609 -4.440 -2.324 1.00 0.00 H new ATOM 247 N THR A 16 14.809 -6.776 2.631 1.00 0.00 N ATOM 248 CA THR A 16 15.204 -7.983 3.338 1.00 0.00 C ATOM 249 C THR A 16 14.152 -9.098 3.220 1.00 0.00 C ATOM 250 O THR A 16 14.506 -10.266 3.052 1.00 0.00 O ATOM 251 CB THR A 16 15.462 -7.680 4.829 1.00 0.00 C ATOM 252 OG1 THR A 16 16.412 -6.613 4.957 1.00 0.00 O ATOM 253 CG2 THR A 16 15.983 -8.911 5.556 1.00 0.00 C ATOM 0 H THR A 16 14.833 -5.933 3.205 1.00 0.00 H new ATOM 0 HA THR A 16 16.123 -8.334 2.869 1.00 0.00 H new ATOM 0 HB THR A 16 14.515 -7.384 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.026 -6.808 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.156 -8.668 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.248 -9.713 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.918 -9.235 5.099 1.00 0.00 H new ATOM 261 N ARG A 17 12.863 -8.749 3.287 1.00 0.00 N ATOM 262 CA ARG A 17 11.820 -9.778 3.292 1.00 0.00 C ATOM 263 C ARG A 17 10.452 -9.267 2.821 1.00 0.00 C ATOM 264 O ARG A 17 9.700 -10.014 2.192 1.00 0.00 O ATOM 265 CB ARG A 17 11.677 -10.381 4.694 1.00 0.00 C ATOM 266 CG ARG A 17 12.032 -11.863 4.776 1.00 0.00 C ATOM 267 CD ARG A 17 11.141 -12.710 3.874 1.00 0.00 C ATOM 268 NE ARG A 17 11.332 -14.143 4.099 1.00 0.00 N ATOM 269 CZ ARG A 17 10.932 -15.093 3.247 1.00 0.00 C ATOM 270 NH1 ARG A 17 10.364 -14.766 2.092 1.00 0.00 N ATOM 271 NH2 ARG A 17 11.107 -16.373 3.545 1.00 0.00 N ATOM 0 H ARG A 17 12.523 -7.788 3.337 1.00 0.00 H new ATOM 0 HA ARG A 17 12.142 -10.536 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.315 -9.827 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.650 -10.246 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.075 -12.003 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.934 -12.204 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.097 -12.452 4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.355 -12.476 2.831 1.00 0.00 H new ATOM 0 HE ARG A 17 11.799 -14.435 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.230 -13.784 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.062 -15.496 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.548 -16.636 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.801 -17.095 2.893 1.00 0.00 H new ATOM 285 N GLY A 18 10.115 -8.018 3.122 1.00 0.00 N ATOM 286 CA GLY A 18 8.768 -7.544 2.847 1.00 0.00 C ATOM 287 C GLY A 18 8.732 -6.161 2.232 1.00 0.00 C ATOM 288 O GLY A 18 9.575 -5.327 2.539 1.00 0.00 O ATOM 0 H GLY A 18 10.739 -7.332 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.274 -8.246 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.197 -7.536 3.775 1.00 0.00 H new ATOM 292 N TRP A 19 7.715 -5.922 1.402 1.00 0.00 N ATOM 293 CA TRP A 19 7.555 -4.666 0.662 1.00 0.00 C ATOM 294 C TRP A 19 8.550 -4.585 -0.493 1.00 0.00 C ATOM 295 O TRP A 19 9.756 -4.433 -0.301 1.00 0.00 O ATOM 296 CB TRP A 19 7.685 -3.439 1.570 1.00 0.00 C ATOM 297 CG TRP A 19 6.638 -3.362 2.639 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.571 -4.110 3.777 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.516 -2.474 2.676 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.468 -3.756 4.510 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.806 -2.749 3.858 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.044 -1.478 1.821 1.00 0.00 C ATOM 303 CZ2 TRP A 19 3.646 -2.059 4.206 1.00 0.00 C ATOM 304 CZ3 TRP A 19 3.897 -0.793 2.167 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.208 -1.085 3.349 1.00 0.00 C ATOM 0 H TRP A 19 6.973 -6.599 1.222 1.00 0.00 H new ATOM 0 HA TRP A 19 6.544 -4.663 0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.669 -3.449 2.039 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.632 -2.539 0.958 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.283 -4.871 4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.186 -4.174 5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.567 -1.247 0.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.113 -2.284 5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.525 -0.018 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 19 2.313 -0.531 3.590 1.00 0.00 H new ATOM 316 N GLN A 20 8.014 -4.688 -1.695 1.00 0.00 N ATOM 317 CA GLN A 20 8.811 -4.699 -2.914 1.00 0.00 C ATOM 318 C GLN A 20 8.516 -3.451 -3.738 1.00 0.00 C ATOM 319 O GLN A 20 7.377 -3.233 -4.146 1.00 0.00 O ATOM 320 CB GLN A 20 8.486 -5.973 -3.715 1.00 0.00 C ATOM 321 CG GLN A 20 9.124 -6.074 -5.101 1.00 0.00 C ATOM 322 CD GLN A 20 10.643 -6.097 -5.079 1.00 0.00 C ATOM 323 OE1 GLN A 20 11.256 -4.958 -5.355 1.00 0.00 O flip ATOM 324 NE2 GLN A 20 11.260 -7.143 -4.875 1.00 0.00 N flip ATOM 0 H GLN A 20 7.010 -4.767 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 20 9.872 -4.698 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.799 -6.837 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.404 -6.041 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.764 -6.979 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.792 -5.230 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.752 -8.002 -4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.279 -7.150 -4.916 1.00 0.00 H new ATOM 333 N PRO A 21 9.526 -2.592 -3.946 1.00 0.00 N ATOM 334 CA PRO A 21 9.385 -1.413 -4.800 1.00 0.00 C ATOM 335 C PRO A 21 8.905 -1.789 -6.198 1.00 0.00 C ATOM 336 O PRO A 21 9.543 -2.592 -6.883 1.00 0.00 O ATOM 337 CB PRO A 21 10.794 -0.822 -4.866 1.00 0.00 C ATOM 338 CG PRO A 21 11.525 -1.382 -3.694 1.00 0.00 C ATOM 339 CD PRO A 21 10.869 -2.692 -3.347 1.00 0.00 C ATOM 0 HA PRO A 21 8.647 -0.714 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.288 -1.091 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.764 0.267 -4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.578 -1.530 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.483 -0.694 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.425 -3.536 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.814 -2.837 -2.268 1.00 0.00 H new ATOM 347 N VAL A 22 7.774 -1.229 -6.602 1.00 0.00 N ATOM 348 CA VAL A 22 7.220 -1.493 -7.922 1.00 0.00 C ATOM 349 C VAL A 22 7.832 -0.579 -8.973 1.00 0.00 C ATOM 350 O VAL A 22 8.607 0.328 -8.659 1.00 0.00 O ATOM 351 CB VAL A 22 5.684 -1.345 -7.957 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.020 -2.618 -7.467 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.231 -0.156 -7.123 1.00 0.00 C ATOM 0 H VAL A 22 7.221 -0.588 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 22 7.470 -2.529 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 22 5.384 -1.168 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.937 -2.498 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.311 -3.450 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.334 -2.821 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.145 -0.075 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.545 -0.297 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.679 0.756 -7.517 1.00 0.00 H new ATOM 363 N GLU A 23 7.454 -0.812 -10.219 1.00 0.00 N ATOM 364 CA GLU A 23 8.033 -0.095 -11.346 1.00 0.00 C ATOM 365 C GLU A 23 6.934 0.311 -12.313 1.00 0.00 C ATOM 366 O GLU A 23 5.774 -0.049 -12.124 1.00 0.00 O ATOM 367 CB GLU A 23 9.052 -0.972 -12.076 1.00 0.00 C ATOM 368 CG GLU A 23 10.190 -1.473 -11.202 1.00 0.00 C ATOM 369 CD GLU A 23 11.146 -2.362 -11.968 1.00 0.00 C ATOM 370 OE1 GLU A 23 10.922 -3.590 -12.015 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.119 -1.834 -12.543 1.00 0.00 O ATOM 0 H GLU A 23 6.744 -1.497 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 23 8.539 0.793 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.534 -1.830 -12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.471 -0.405 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.735 -0.622 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.781 -2.025 -10.356 1.00 0.00 H new ATOM 378 N ALA A 24 7.301 1.043 -13.353 1.00 0.00 N ATOM 379 CA ALA A 24 6.339 1.472 -14.356 1.00 0.00 C ATOM 380 C ALA A 24 6.279 0.480 -15.508 1.00 0.00 C ATOM 381 O ALA A 24 5.243 0.309 -16.145 1.00 0.00 O ATOM 382 CB ALA A 24 6.692 2.858 -14.870 1.00 0.00 C ATOM 0 H ALA A 24 8.258 1.352 -13.525 1.00 0.00 H new ATOM 0 HA ALA A 24 5.355 1.512 -13.889 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.963 3.165 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.681 3.567 -14.042 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.686 2.838 -15.317 1.00 0.00 H new ATOM 388 N SER A 25 7.397 -0.179 -15.766 1.00 0.00 N ATOM 389 CA SER A 25 7.488 -1.110 -16.879 1.00 0.00 C ATOM 390 C SER A 25 6.938 -2.483 -16.497 1.00 0.00 C ATOM 391 O SER A 25 6.179 -3.095 -17.249 1.00 0.00 O ATOM 392 CB SER A 25 8.945 -1.244 -17.312 1.00 0.00 C ATOM 393 OG SER A 25 9.581 0.023 -17.339 1.00 0.00 O ATOM 0 H SER A 25 8.254 -0.087 -15.220 1.00 0.00 H new ATOM 0 HA SER A 25 6.889 -0.720 -17.702 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.473 -1.907 -16.626 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.995 -1.702 -18.300 1.00 0.00 H new ATOM 0 HG SER A 25 10.514 -0.085 -17.617 1.00 0.00 H new ATOM 399 N THR A 26 7.309 -2.956 -15.317 1.00 0.00 N ATOM 400 CA THR A 26 6.983 -4.310 -14.901 1.00 0.00 C ATOM 401 C THR A 26 5.664 -4.378 -14.132 1.00 0.00 C ATOM 402 O THR A 26 5.201 -5.467 -13.795 1.00 0.00 O ATOM 403 CB THR A 26 8.112 -4.882 -14.026 1.00 0.00 C ATOM 404 OG1 THR A 26 8.452 -3.926 -13.018 1.00 0.00 O ATOM 405 CG2 THR A 26 9.343 -5.204 -14.863 1.00 0.00 C ATOM 0 H THR A 26 7.838 -2.420 -14.629 1.00 0.00 H new ATOM 0 HA THR A 26 6.873 -4.905 -15.808 1.00 0.00 H new ATOM 0 HB THR A 26 7.764 -5.806 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.408 -3.991 -12.815 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.125 -5.607 -14.220 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.084 -5.941 -15.623 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.702 -4.295 -15.346 1.00 0.00 H new ATOM 413 N VAL A 27 5.053 -3.222 -13.874 1.00 0.00 N ATOM 414 CA VAL A 27 3.825 -3.171 -13.084 1.00 0.00 C ATOM 415 C VAL A 27 2.707 -3.975 -13.747 1.00 0.00 C ATOM 416 O VAL A 27 1.940 -4.658 -13.072 1.00 0.00 O ATOM 417 CB VAL A 27 3.354 -1.714 -12.839 1.00 0.00 C ATOM 418 CG1 VAL A 27 3.046 -1.002 -14.147 1.00 0.00 C ATOM 419 CG2 VAL A 27 2.146 -1.688 -11.905 1.00 0.00 C ATOM 0 H VAL A 27 5.386 -2.314 -14.198 1.00 0.00 H new ATOM 0 HA VAL A 27 4.056 -3.619 -12.118 1.00 0.00 H new ATOM 0 HB VAL A 27 4.171 -1.176 -12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.719 0.017 -13.938 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.942 -0.975 -14.767 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.256 -1.536 -14.675 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.831 -0.657 -11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.328 -2.252 -12.353 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.416 -2.137 -10.949 1.00 0.00 H new ATOM 429 N ASP A 28 2.647 -3.919 -15.074 1.00 0.00 N ATOM 430 CA ASP A 28 1.608 -4.611 -15.829 1.00 0.00 C ATOM 431 C ASP A 28 1.714 -6.118 -15.617 1.00 0.00 C ATOM 432 O ASP A 28 0.722 -6.796 -15.343 1.00 0.00 O ATOM 433 CB ASP A 28 1.739 -4.282 -17.318 1.00 0.00 C ATOM 434 CG ASP A 28 0.533 -4.714 -18.132 1.00 0.00 C ATOM 435 OD1 ASP A 28 0.375 -5.925 -18.383 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.250 -3.830 -18.554 1.00 0.00 O ATOM 0 H ASP A 28 3.309 -3.399 -15.651 1.00 0.00 H new ATOM 0 HA ASP A 28 0.634 -4.276 -15.474 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.883 -3.208 -17.435 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.630 -4.768 -17.714 1.00 0.00 H new ATOM 441 N ASP A 29 2.936 -6.628 -15.709 1.00 0.00 N ATOM 442 CA ASP A 29 3.186 -8.055 -15.562 1.00 0.00 C ATOM 443 C ASP A 29 3.080 -8.471 -14.099 1.00 0.00 C ATOM 444 O ASP A 29 2.685 -9.594 -13.786 1.00 0.00 O ATOM 445 CB ASP A 29 4.565 -8.414 -16.110 1.00 0.00 C ATOM 446 CG ASP A 29 4.773 -9.913 -16.215 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.189 -10.534 -17.131 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.528 -10.477 -15.396 1.00 0.00 O ATOM 0 H ASP A 29 3.772 -6.071 -15.886 1.00 0.00 H new ATOM 0 HA ASP A 29 2.430 -8.594 -16.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.691 -7.963 -17.094 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.332 -7.988 -15.464 1.00 0.00 H new ATOM 453 N TRP A 30 3.429 -7.552 -13.206 1.00 0.00 N ATOM 454 CA TRP A 30 3.289 -7.788 -11.776 1.00 0.00 C ATOM 455 C TRP A 30 1.819 -8.003 -11.429 1.00 0.00 C ATOM 456 O TRP A 30 1.469 -8.967 -10.749 1.00 0.00 O ATOM 457 CB TRP A 30 3.858 -6.611 -10.975 1.00 0.00 C ATOM 458 CG TRP A 30 3.914 -6.861 -9.495 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.865 -7.575 -8.821 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.988 -6.394 -8.504 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.582 -7.590 -7.477 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.439 -6.870 -7.256 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.824 -5.626 -8.550 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.765 -6.599 -6.068 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.155 -5.357 -7.369 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.628 -5.842 -6.142 1.00 0.00 C ATOM 0 H TRP A 30 3.811 -6.638 -13.448 1.00 0.00 H new ATOM 0 HA TRP A 30 3.852 -8.683 -11.512 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.862 -6.389 -11.336 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.249 -5.727 -11.163 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.716 -8.058 -9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.134 -8.061 -6.760 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.452 -5.248 -9.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.127 -6.973 -5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.253 -4.763 -7.393 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.084 -5.614 -5.237 1.00 0.00 H new ATOM 477 N ILE A 31 0.964 -7.111 -11.922 1.00 0.00 N ATOM 478 CA ILE A 31 -0.479 -7.232 -11.725 1.00 0.00 C ATOM 479 C ILE A 31 -0.988 -8.528 -12.350 1.00 0.00 C ATOM 480 O ILE A 31 -1.847 -9.206 -11.790 1.00 0.00 O ATOM 481 CB ILE A 31 -1.242 -6.029 -12.331 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.763 -4.721 -11.697 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.744 -6.192 -12.135 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.282 -3.481 -12.392 1.00 0.00 C ATOM 0 H ILE A 31 1.246 -6.293 -12.463 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.664 -7.244 -10.651 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.036 -5.995 -13.401 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.075 -4.699 -10.653 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.327 -4.702 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.262 -5.336 -12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.078 -7.105 -12.627 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.968 -6.251 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.900 -2.594 -11.886 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.948 -3.479 -13.430 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.372 -3.476 -12.361 1.00 0.00 H new ATOM 496 N LYS A 32 -0.427 -8.872 -13.504 1.00 0.00 N ATOM 497 CA LYS A 32 -0.739 -10.125 -14.186 1.00 0.00 C ATOM 498 C LYS A 32 -0.489 -11.309 -13.250 1.00 0.00 C ATOM 499 O LYS A 32 -1.297 -12.233 -13.165 1.00 0.00 O ATOM 500 CB LYS A 32 0.139 -10.236 -15.451 1.00 0.00 C ATOM 501 CG LYS A 32 -0.197 -11.381 -16.409 1.00 0.00 C ATOM 502 CD LYS A 32 0.230 -12.749 -15.880 1.00 0.00 C ATOM 503 CE LYS A 32 1.714 -12.810 -15.531 1.00 0.00 C ATOM 504 NZ LYS A 32 2.595 -12.655 -16.719 1.00 0.00 N ATOM 0 H LYS A 32 0.255 -8.293 -13.993 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.790 -10.139 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.068 -9.297 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.178 -10.344 -15.139 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.271 -11.389 -16.594 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.290 -11.200 -17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.357 -12.991 -14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.006 -13.509 -16.628 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.945 -12.026 -14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.929 -13.763 -15.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.235 -13.472 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.012 -12.601 -17.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.155 -11.784 -16.625 1.00 0.00 H new ATOM 518 N ARG A 33 0.628 -11.257 -12.537 1.00 0.00 N ATOM 519 CA ARG A 33 1.059 -12.364 -11.692 1.00 0.00 C ATOM 520 C ARG A 33 0.261 -12.398 -10.394 1.00 0.00 C ATOM 521 O ARG A 33 -0.216 -13.452 -9.966 1.00 0.00 O ATOM 522 CB ARG A 33 2.552 -12.203 -11.384 1.00 0.00 C ATOM 523 CG ARG A 33 3.285 -13.502 -11.054 1.00 0.00 C ATOM 524 CD ARG A 33 2.932 -14.031 -9.674 1.00 0.00 C ATOM 525 NE ARG A 33 3.659 -15.261 -9.355 1.00 0.00 N ATOM 526 CZ ARG A 33 3.381 -16.050 -8.316 1.00 0.00 C ATOM 527 NH1 ARG A 33 2.400 -15.738 -7.476 1.00 0.00 N ATOM 528 NH2 ARG A 33 4.101 -17.146 -8.115 1.00 0.00 N ATOM 0 H ARG A 33 1.257 -10.454 -12.527 1.00 0.00 H new ATOM 0 HA ARG A 33 0.887 -13.302 -12.219 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.037 -11.737 -12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.663 -11.517 -10.544 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.039 -14.255 -11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.360 -13.334 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.159 -13.272 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.860 -14.220 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 33 4.428 -15.532 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.853 -14.890 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.194 -16.347 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.862 -17.381 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.894 -17.754 -7.323 1.00 0.00 H new ATOM 542 N VAL A 34 0.110 -11.237 -9.782 1.00 0.00 N ATOM 543 CA VAL A 34 -0.537 -11.149 -8.482 1.00 0.00 C ATOM 544 C VAL A 34 -2.057 -11.254 -8.596 1.00 0.00 C ATOM 545 O VAL A 34 -2.693 -11.963 -7.816 1.00 0.00 O ATOM 546 CB VAL A 34 -0.147 -9.852 -7.725 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.360 -9.780 -7.542 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.658 -8.596 -8.423 1.00 0.00 C ATOM 0 H VAL A 34 0.425 -10.344 -10.161 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.177 -12.000 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.627 -9.893 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.619 -8.865 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.698 -10.642 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.845 -9.781 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.359 -7.716 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.236 -8.540 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.745 -8.633 -8.489 1.00 0.00 H new ATOM 558 N GLY A 35 -2.626 -10.555 -9.571 1.00 0.00 N ATOM 559 CA GLY A 35 -4.070 -10.523 -9.754 1.00 0.00 C ATOM 560 C GLY A 35 -4.751 -9.635 -8.733 1.00 0.00 C ATOM 561 O GLY A 35 -5.576 -8.783 -9.074 1.00 0.00 O ATOM 0 H GLY A 35 -2.105 -10.000 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.301 -10.165 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.468 -11.535 -9.677 1.00 0.00 H new ATOM 565 N ASP A 36 -4.385 -9.839 -7.483 1.00 0.00 N ATOM 566 CA ASP A 36 -4.945 -9.097 -6.377 1.00 0.00 C ATOM 567 C ASP A 36 -3.818 -8.489 -5.551 1.00 0.00 C ATOM 568 O ASP A 36 -3.057 -9.204 -4.890 1.00 0.00 O ATOM 569 CB ASP A 36 -5.805 -10.021 -5.510 1.00 0.00 C ATOM 570 CG ASP A 36 -6.938 -10.662 -6.292 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.725 -11.758 -6.862 1.00 0.00 O ATOM 572 OD2 ASP A 36 -8.039 -10.069 -6.347 1.00 0.00 O ATOM 0 H ASP A 36 -3.686 -10.529 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.577 -8.295 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.176 -10.801 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.219 -9.452 -4.677 1.00 0.00 H new ATOM 577 N GLY A 37 -3.698 -7.175 -5.619 1.00 0.00 N ATOM 578 CA GLY A 37 -2.635 -6.481 -4.924 1.00 0.00 C ATOM 579 C GLY A 37 -2.819 -4.982 -4.979 1.00 0.00 C ATOM 580 O GLY A 37 -3.756 -4.490 -5.610 1.00 0.00 O ATOM 0 H GLY A 37 -4.325 -6.569 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.606 -6.807 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.676 -6.747 -5.368 1.00 0.00 H new ATOM 584 N VAL A 38 -1.933 -4.251 -4.320 1.00 0.00 N ATOM 585 CA VAL A 38 -2.032 -2.801 -4.270 1.00 0.00 C ATOM 586 C VAL A 38 -0.687 -2.134 -4.540 1.00 0.00 C ATOM 587 O VAL A 38 0.343 -2.535 -3.992 1.00 0.00 O ATOM 588 CB VAL A 38 -2.586 -2.311 -2.911 1.00 0.00 C ATOM 589 CG1 VAL A 38 -4.058 -2.668 -2.762 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.786 -2.892 -1.752 1.00 0.00 C ATOM 0 H VAL A 38 -1.137 -4.638 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.730 -2.514 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.488 -1.226 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.423 -2.312 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.629 -2.198 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.178 -3.750 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.197 -2.531 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.843 -3.980 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.745 -2.581 -1.837 1.00 0.00 H new ATOM 600 N ILE A 39 -0.703 -1.127 -5.404 1.00 0.00 N ATOM 601 CA ILE A 39 0.482 -0.321 -5.665 1.00 0.00 C ATOM 602 C ILE A 39 0.377 0.995 -4.898 1.00 0.00 C ATOM 603 O ILE A 39 -0.530 1.795 -5.147 1.00 0.00 O ATOM 604 CB ILE A 39 0.680 -0.009 -7.179 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.104 -1.249 -7.977 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.717 1.088 -7.369 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.001 -2.264 -8.182 1.00 0.00 C ATOM 0 H ILE A 39 -1.527 -0.849 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 39 1.343 -0.901 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.286 0.325 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.474 -0.931 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.935 -1.731 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.841 1.291 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.385 1.994 -6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.669 0.765 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.385 -3.108 -8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.355 -2.615 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.823 -1.801 -8.726 1.00 0.00 H new ATOM 619 N LEU A 40 1.279 1.195 -3.949 1.00 0.00 N ATOM 620 CA LEU A 40 1.320 2.428 -3.174 1.00 0.00 C ATOM 621 C LEU A 40 2.284 3.413 -3.840 1.00 0.00 C ATOM 622 O LEU A 40 3.470 3.117 -4.009 1.00 0.00 O ATOM 623 CB LEU A 40 1.760 2.120 -1.733 1.00 0.00 C ATOM 624 CG LEU A 40 1.429 3.181 -0.671 1.00 0.00 C ATOM 625 CD1 LEU A 40 1.633 2.599 0.719 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.290 4.425 -0.838 1.00 0.00 C ATOM 0 H LEU A 40 1.996 0.516 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 40 0.328 2.878 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.300 1.179 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.839 1.962 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 40 0.387 3.472 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.397 3.355 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.978 1.738 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.671 2.286 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.029 5.154 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.342 4.156 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.117 4.858 -1.823 1.00 0.00 H new ATOM 638 N LEU A 41 1.771 4.568 -4.230 1.00 0.00 N ATOM 639 CA LEU A 41 2.580 5.579 -4.904 1.00 0.00 C ATOM 640 C LEU A 41 3.306 6.475 -3.902 1.00 0.00 C ATOM 641 O LEU A 41 2.694 6.978 -2.962 1.00 0.00 O ATOM 642 CB LEU A 41 1.711 6.440 -5.829 1.00 0.00 C ATOM 643 CG LEU A 41 1.360 5.825 -7.190 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.501 4.579 -7.041 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.653 6.853 -8.053 1.00 0.00 C ATOM 0 H LEU A 41 0.796 4.833 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 41 3.326 5.053 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.782 6.674 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.226 7.385 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 41 2.290 5.525 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.274 4.173 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.040 3.833 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.428 4.836 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.406 6.410 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.262 7.176 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.306 7.712 -8.204 1.00 0.00 H new ATOM 657 N SER A 42 4.612 6.657 -4.139 1.00 0.00 N ATOM 658 CA SER A 42 5.494 7.534 -3.345 1.00 0.00 C ATOM 659 C SER A 42 5.549 7.165 -1.858 1.00 0.00 C ATOM 660 O SER A 42 4.565 7.277 -1.130 1.00 0.00 O ATOM 661 CB SER A 42 5.132 9.023 -3.522 1.00 0.00 C ATOM 662 OG SER A 42 3.779 9.294 -3.199 1.00 0.00 O ATOM 0 H SER A 42 5.099 6.190 -4.904 1.00 0.00 H new ATOM 0 HA SER A 42 6.495 7.370 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.781 9.629 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.323 9.320 -4.553 1.00 0.00 H new ATOM 0 HG SER A 42 3.399 8.531 -2.716 1.00 0.00 H new ATOM 863 N VAL A 56 3.210 3.386 7.444 1.00 0.00 N ATOM 864 CA VAL A 56 2.320 2.967 8.518 1.00 0.00 C ATOM 865 C VAL A 56 0.864 3.185 8.116 1.00 0.00 C ATOM 866 O VAL A 56 0.592 3.817 7.091 1.00 0.00 O ATOM 867 CB VAL A 56 2.608 3.729 9.831 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.008 3.419 10.345 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.445 5.227 9.632 1.00 0.00 C ATOM 0 HA VAL A 56 2.500 1.906 8.692 1.00 0.00 H new ATOM 0 HB VAL A 56 1.885 3.395 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.186 3.968 11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.097 2.349 10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.744 3.718 9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.653 5.743 10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.141 5.570 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.424 5.443 9.317 1.00 0.00 H new ATOM 879 N MET A 57 -0.059 2.639 8.911 1.00 0.00 N ATOM 880 CA MET A 57 -1.499 2.760 8.668 1.00 0.00 C ATOM 881 C MET A 57 -1.931 1.835 7.529 1.00 0.00 C ATOM 882 O MET A 57 -2.910 1.097 7.656 1.00 0.00 O ATOM 883 CB MET A 57 -1.897 4.215 8.396 1.00 0.00 C ATOM 884 CG MET A 57 -3.384 4.419 8.175 1.00 0.00 C ATOM 885 SD MET A 57 -3.850 6.161 8.165 1.00 0.00 S ATOM 886 CE MET A 57 -2.740 6.808 6.917 1.00 0.00 C ATOM 0 H MET A 57 0.172 2.098 9.745 1.00 0.00 H new ATOM 0 HA MET A 57 -2.025 2.447 9.570 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.578 4.831 9.237 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.358 4.570 7.518 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.673 3.964 7.228 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.938 3.903 8.959 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.068 7.804 6.619 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.730 6.865 7.323 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.745 6.149 6.049 1.00 0.00 H new ATOM 896 N ILE A 58 -1.189 1.856 6.426 1.00 0.00 N ATOM 897 CA ILE A 58 -1.394 0.889 5.355 1.00 0.00 C ATOM 898 C ILE A 58 -0.967 -0.493 5.843 1.00 0.00 C ATOM 899 O ILE A 58 -1.533 -1.513 5.450 1.00 0.00 O ATOM 900 CB ILE A 58 -0.603 1.242 4.066 1.00 0.00 C ATOM 901 CG1 ILE A 58 -1.042 2.589 3.490 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.767 0.156 3.011 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.274 3.772 4.036 1.00 0.00 C ATOM 0 H ILE A 58 -0.443 2.530 6.251 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.453 0.906 5.099 1.00 0.00 H new ATOM 0 HB ILE A 58 0.449 1.311 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.928 2.564 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.103 2.732 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.203 0.428 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.394 -0.790 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.822 0.052 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.645 4.689 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.408 3.826 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.785 3.655 3.807 1.00 0.00 H new ATOM 915 N ALA A 59 0.027 -0.506 6.724 1.00 0.00 N ATOM 916 CA ALA A 59 0.535 -1.740 7.304 1.00 0.00 C ATOM 917 C ALA A 59 -0.546 -2.456 8.111 1.00 0.00 C ATOM 918 O ALA A 59 -0.750 -3.659 7.950 1.00 0.00 O ATOM 919 CB ALA A 59 1.749 -1.450 8.174 1.00 0.00 C ATOM 0 H ALA A 59 0.500 0.335 7.054 1.00 0.00 H new ATOM 0 HA ALA A 59 0.835 -2.401 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.120 -2.381 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.531 -0.993 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.467 -0.768 8.976 1.00 0.00 H new ATOM 925 N GLU A 60 -1.230 -1.713 8.981 1.00 0.00 N ATOM 926 CA GLU A 60 -2.324 -2.260 9.770 1.00 0.00 C ATOM 927 C GLU A 60 -3.430 -2.789 8.863 1.00 0.00 C ATOM 928 O GLU A 60 -3.975 -3.864 9.101 1.00 0.00 O ATOM 929 CB GLU A 60 -2.890 -1.203 10.723 1.00 0.00 C ATOM 930 CG GLU A 60 -1.883 -0.662 11.726 1.00 0.00 C ATOM 931 CD GLU A 60 -1.089 0.518 11.198 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.139 0.310 10.414 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.421 1.668 11.559 1.00 0.00 O ATOM 0 H GLU A 60 -1.041 -0.726 9.155 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.930 -3.086 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.282 -0.373 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.731 -1.634 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.408 -0.362 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.194 -1.459 12.006 1.00 0.00 H new ATOM 940 N LEU A 61 -3.735 -2.030 7.814 1.00 0.00 N ATOM 941 CA LEU A 61 -4.718 -2.438 6.810 1.00 0.00 C ATOM 942 C LEU A 61 -4.350 -3.810 6.255 1.00 0.00 C ATOM 943 O LEU A 61 -5.192 -4.700 6.124 1.00 0.00 O ATOM 944 CB LEU A 61 -4.745 -1.396 5.680 1.00 0.00 C ATOM 945 CG LEU A 61 -5.945 -1.443 4.714 1.00 0.00 C ATOM 946 CD1 LEU A 61 -5.798 -2.558 3.689 1.00 0.00 C ATOM 947 CD2 LEU A 61 -7.248 -1.597 5.485 1.00 0.00 C ATOM 0 H LEU A 61 -3.311 -1.120 7.635 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.706 -2.501 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.713 -0.405 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.833 -1.509 5.093 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.967 -0.497 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.663 -2.559 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.893 -2.397 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.733 -3.518 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.083 -1.628 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.223 -2.522 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.373 -0.751 6.161 1.00 0.00 H new ATOM 959 N LEU A 62 -3.074 -3.962 5.950 1.00 0.00 N ATOM 960 CA LEU A 62 -2.534 -5.209 5.410 1.00 0.00 C ATOM 961 C LEU A 62 -2.508 -6.333 6.451 1.00 0.00 C ATOM 962 O LEU A 62 -2.138 -7.466 6.136 1.00 0.00 O ATOM 963 CB LEU A 62 -1.120 -4.968 4.868 1.00 0.00 C ATOM 964 CG LEU A 62 -0.984 -4.970 3.342 1.00 0.00 C ATOM 965 CD1 LEU A 62 -1.245 -6.362 2.789 1.00 0.00 C ATOM 966 CD2 LEU A 62 -1.931 -3.957 2.709 1.00 0.00 C ATOM 0 H LEU A 62 -2.377 -3.227 6.068 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.194 -5.529 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.765 -4.009 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.460 -5.734 5.274 1.00 0.00 H new ATOM 0 HG LEU A 62 0.037 -4.681 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.145 -6.347 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.524 -7.062 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.254 -6.676 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.815 -3.978 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.959 -4.208 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.697 -2.959 3.080 1.00 0.00 H new ATOM 978 N ARG A 63 -2.871 -6.025 7.689 1.00 0.00 N ATOM 979 CA ARG A 63 -2.871 -7.029 8.746 1.00 0.00 C ATOM 980 C ARG A 63 -4.281 -7.409 9.188 1.00 0.00 C ATOM 981 O ARG A 63 -4.597 -8.590 9.308 1.00 0.00 O ATOM 982 CB ARG A 63 -2.066 -6.538 9.949 1.00 0.00 C ATOM 983 CG ARG A 63 -0.584 -6.344 9.663 1.00 0.00 C ATOM 984 CD ARG A 63 0.135 -7.668 9.406 1.00 0.00 C ATOM 985 NE ARG A 63 -0.320 -8.312 8.173 1.00 0.00 N ATOM 986 CZ ARG A 63 -0.202 -9.612 7.908 1.00 0.00 C ATOM 987 NH1 ARG A 63 0.387 -10.429 8.777 1.00 0.00 N ATOM 988 NH2 ARG A 63 -0.677 -10.088 6.765 1.00 0.00 N ATOM 0 H ARG A 63 -3.167 -5.095 7.985 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.404 -7.923 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.486 -5.593 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.178 -7.253 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.466 -5.694 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.117 -5.837 10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.209 -7.491 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.032 -8.340 10.248 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.759 -7.723 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.753 -10.061 9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.473 -11.423 8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.127 -9.460 6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.592 -11.082 6.552 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.130 -6.417 9.432 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.450 -6.671 9.992 1.00 0.00 C ATOM 1004 C GLU A 64 -7.527 -6.768 8.910 1.00 0.00 C ATOM 1005 O GLU A 64 -8.713 -6.564 9.187 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.802 -5.584 11.011 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.794 -4.168 10.458 1.00 0.00 C ATOM 1008 CD GLU A 64 -7.121 -3.137 11.521 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.309 -3.011 11.886 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.195 -2.457 12.008 1.00 0.00 O ATOM 0 H GLU A 64 -4.928 -5.434 9.251 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.418 -7.638 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.790 -5.794 11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.096 -5.640 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.814 -3.951 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.517 -4.093 9.646 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.123 -7.111 7.691 1.00 0.00 N ATOM 1018 CA PHE A 65 -8.078 -7.298 6.607 1.00 0.00 C ATOM 1019 C PHE A 65 -8.527 -8.761 6.566 1.00 0.00 C ATOM 1020 O PHE A 65 -7.770 -9.637 6.157 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.469 -6.899 5.257 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.470 -6.305 4.308 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -9.338 -7.111 3.589 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.547 -4.931 4.143 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -10.262 -6.557 2.724 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.467 -4.372 3.279 1.00 0.00 C ATOM 1027 CZ PHE A 65 -10.326 -5.186 2.570 1.00 0.00 C ATOM 0 H PHE A 65 -6.149 -7.264 7.431 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.939 -6.655 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.667 -6.180 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.018 -7.777 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.292 -8.184 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.878 -4.289 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.933 -7.195 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.514 -3.300 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.048 -4.751 1.895 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.775 -9.041 6.978 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.291 -10.409 7.127 1.00 0.00 C ATOM 1039 C PRO A 66 -10.696 -11.052 5.801 1.00 0.00 C ATOM 1040 O PRO A 66 -11.404 -12.058 5.783 1.00 0.00 O ATOM 1041 CB PRO A 66 -11.532 -10.238 8.019 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.611 -8.783 8.362 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.792 -8.053 7.336 1.00 0.00 C ATOM 0 HA PRO A 66 -9.527 -11.068 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.432 -10.563 7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.449 -10.845 8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.645 -8.438 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.227 -8.600 9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.391 -7.757 6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.349 -7.144 7.743 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.253 -10.477 4.697 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.640 -10.977 3.386 1.00 0.00 C ATOM 1053 C GLN A 67 -9.431 -11.274 2.509 1.00 0.00 C ATOM 1054 O GLN A 67 -9.356 -12.328 1.883 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.558 -9.975 2.675 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.955 -9.887 3.272 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.668 -11.230 3.315 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -13.349 -12.113 2.382 1.00 0.00 O flip ATOM 1059 NE2 GLN A 67 -14.502 -11.468 4.186 1.00 0.00 N flip ATOM 0 H GLN A 67 -9.630 -9.670 4.679 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.178 -11.911 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.097 -8.988 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.639 -10.254 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.888 -9.485 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.550 -9.184 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.721 -10.762 4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.975 -12.372 4.206 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.481 -10.356 2.474 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.401 -10.444 1.508 1.00 0.00 C ATOM 1070 C PHE A 68 -6.049 -10.685 2.154 1.00 0.00 C ATOM 1071 O PHE A 68 -5.507 -9.817 2.835 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.335 -9.172 0.663 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.459 -9.034 -0.317 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.482 -9.796 -1.475 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.491 -8.143 -0.084 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.516 -9.670 -2.381 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -10.527 -8.014 -0.987 1.00 0.00 C ATOM 1078 CZ PHE A 68 -10.539 -8.778 -2.137 1.00 0.00 C ATOM 0 H PHE A 68 -8.435 -9.549 3.096 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.624 -11.304 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.336 -8.307 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.390 -9.157 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.683 -10.495 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.486 -7.542 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.524 -10.269 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.328 -7.316 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 68 -11.349 -8.677 -2.845 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.510 -11.870 1.922 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.100 -12.127 2.171 1.00 0.00 C ATOM 1090 C ASP A 69 -3.341 -11.764 0.899 1.00 0.00 C ATOM 1091 O ASP A 69 -2.674 -12.597 0.279 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.877 -13.598 2.548 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.440 -13.901 2.941 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.944 -13.308 3.917 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -1.802 -14.748 2.273 1.00 0.00 O ATOM 0 H ASP A 69 -6.028 -12.671 1.561 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.741 -11.528 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.537 -13.859 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.158 -14.230 1.705 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.498 -10.508 0.495 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.005 -10.036 -0.793 1.00 0.00 C ATOM 1102 C TRP A 70 -1.579 -9.509 -0.704 1.00 0.00 C ATOM 1103 O TRP A 70 -0.934 -9.581 0.342 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.939 -8.963 -1.382 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.297 -7.833 -0.449 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.827 -7.609 0.814 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.218 -6.769 -0.723 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.411 -6.485 1.345 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.263 -5.947 0.420 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -6.010 -6.433 -1.824 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -6.070 -4.815 0.491 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.809 -5.308 -1.752 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.834 -4.510 -0.603 1.00 0.00 C ATOM 0 H TRP A 70 -3.968 -9.792 1.048 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.995 -10.896 -1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.467 -8.543 -2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.859 -9.447 -1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.101 -8.227 1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.237 -6.112 2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.998 -7.042 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -6.093 -4.199 1.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.425 -5.040 -2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.468 -3.636 -0.579 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.105 -8.974 -1.817 1.00 0.00 N ATOM 1125 CA GLN A 71 0.285 -8.579 -1.948 1.00 0.00 C ATOM 1126 C GLN A 71 0.410 -7.063 -2.057 1.00 0.00 C ATOM 1127 O GLN A 71 -0.152 -6.442 -2.961 1.00 0.00 O ATOM 1128 CB GLN A 71 0.879 -9.276 -3.175 1.00 0.00 C ATOM 1129 CG GLN A 71 0.729 -10.792 -3.108 1.00 0.00 C ATOM 1130 CD GLN A 71 0.919 -11.476 -4.444 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.167 -11.641 -5.187 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 2.027 -11.856 -4.812 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.670 -8.803 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 71 0.839 -8.882 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.389 -8.904 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.935 -9.021 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.454 -11.190 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.261 -11.035 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.840 -11.712 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.134 -12.316 -5.716 1.00 0.00 H new ATOM 1141 N VAL A 72 1.138 -6.475 -1.118 1.00 0.00 N ATOM 1142 CA VAL A 72 1.304 -5.029 -1.064 1.00 0.00 C ATOM 1143 C VAL A 72 2.669 -4.618 -1.607 1.00 0.00 C ATOM 1144 O VAL A 72 3.675 -5.293 -1.373 1.00 0.00 O ATOM 1145 CB VAL A 72 1.129 -4.497 0.380 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.162 -5.108 1.321 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.191 -2.972 0.415 1.00 0.00 C ATOM 0 H VAL A 72 1.626 -6.981 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 72 0.529 -4.588 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 72 0.141 -4.800 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.014 -4.716 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.047 -6.192 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.164 -4.854 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.065 -2.626 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.157 -2.638 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.395 -2.561 -0.206 1.00 0.00 H new ATOM 1157 N ALA A 73 2.695 -3.527 -2.359 1.00 0.00 N ATOM 1158 CA ALA A 73 3.935 -2.993 -2.889 1.00 0.00 C ATOM 1159 C ALA A 73 3.902 -1.470 -2.891 1.00 0.00 C ATOM 1160 O ALA A 73 2.834 -0.869 -2.994 1.00 0.00 O ATOM 1161 CB ALA A 73 4.175 -3.523 -4.289 1.00 0.00 C ATOM 0 H ALA A 73 1.864 -2.994 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 73 4.757 -3.316 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.109 -3.116 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.238 -4.611 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.351 -3.224 -4.937 1.00 0.00 H new ATOM 1167 N VAL A 74 5.069 -0.850 -2.786 1.00 0.00 N ATOM 1168 CA VAL A 74 5.161 0.603 -2.730 1.00 0.00 C ATOM 1169 C VAL A 74 6.288 1.108 -3.631 1.00 0.00 C ATOM 1170 O VAL A 74 7.325 0.462 -3.769 1.00 0.00 O ATOM 1171 CB VAL A 74 5.376 1.093 -1.272 1.00 0.00 C ATOM 1172 CG1 VAL A 74 6.567 0.396 -0.636 1.00 0.00 C ATOM 1173 CG2 VAL A 74 5.561 2.601 -1.213 1.00 0.00 C ATOM 0 H VAL A 74 5.967 -1.331 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 74 4.217 1.011 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 74 4.478 0.838 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.697 0.756 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.394 -0.680 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.466 0.611 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.709 2.909 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.432 2.884 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.675 3.092 -1.615 1.00 0.00 H new ATOM 1183 N ALA A 75 6.064 2.246 -4.272 1.00 0.00 N ATOM 1184 CA ALA A 75 7.071 2.859 -5.123 1.00 0.00 C ATOM 1185 C ALA A 75 7.844 3.925 -4.355 1.00 0.00 C ATOM 1186 O ALA A 75 7.303 4.564 -3.452 1.00 0.00 O ATOM 1187 CB ALA A 75 6.421 3.459 -6.362 1.00 0.00 C ATOM 0 H ALA A 75 5.188 2.765 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 75 7.774 2.088 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.187 3.915 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.912 2.675 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.699 4.218 -6.062 1.00 0.00 H new ATOM 1193 N ASP A 76 9.108 4.109 -4.723 1.00 0.00 N ATOM 1194 CA ASP A 76 9.984 5.063 -4.043 1.00 0.00 C ATOM 1195 C ASP A 76 9.526 6.502 -4.302 1.00 0.00 C ATOM 1196 O ASP A 76 8.825 7.091 -3.476 1.00 0.00 O ATOM 1197 CB ASP A 76 11.432 4.850 -4.499 1.00 0.00 C ATOM 1198 CG ASP A 76 12.431 5.711 -3.748 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.178 6.042 -2.573 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.481 6.051 -4.340 1.00 0.00 O ATOM 0 H ASP A 76 9.552 3.608 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 76 9.930 4.892 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.696 3.801 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.505 5.066 -5.565 1.00 0.00 H new ATOM 1205 N LEU A 77 9.891 7.061 -5.457 1.00 0.00 N ATOM 1206 CA LEU A 77 9.406 8.390 -5.842 1.00 0.00 C ATOM 1207 C LEU A 77 9.422 8.560 -7.360 1.00 0.00 C ATOM 1208 O LEU A 77 8.443 9.019 -7.946 1.00 0.00 O ATOM 1209 CB LEU A 77 10.202 9.523 -5.160 1.00 0.00 C ATOM 1210 CG LEU A 77 11.572 9.874 -5.762 1.00 0.00 C ATOM 1211 CD1 LEU A 77 12.075 11.191 -5.192 1.00 0.00 C ATOM 1212 CD2 LEU A 77 12.586 8.774 -5.498 1.00 0.00 C ATOM 0 H LEU A 77 10.513 6.622 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 77 8.376 8.463 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.587 10.423 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.351 9.251 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 77 11.449 9.973 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.046 11.428 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.367 11.985 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.173 11.105 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.545 9.051 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.703 8.638 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.238 7.843 -5.946 1.00 0.00 H new ATOM 1224 N GLU A 78 10.520 8.162 -7.993 1.00 0.00 N ATOM 1225 CA GLU A 78 10.649 8.246 -9.445 1.00 0.00 C ATOM 1226 C GLU A 78 9.573 7.402 -10.116 1.00 0.00 C ATOM 1227 O GLU A 78 8.923 7.826 -11.072 1.00 0.00 O ATOM 1228 CB GLU A 78 12.029 7.747 -9.867 1.00 0.00 C ATOM 1229 CG GLU A 78 12.306 7.875 -11.355 1.00 0.00 C ATOM 1230 CD GLU A 78 12.495 9.312 -11.796 1.00 0.00 C ATOM 1231 OE1 GLU A 78 13.633 9.812 -11.706 1.00 0.00 O ATOM 1232 OE2 GLU A 78 11.514 9.944 -12.241 1.00 0.00 O ATOM 0 H GLU A 78 11.338 7.776 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 78 10.528 9.285 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.788 8.303 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.129 6.701 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.200 7.303 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.480 7.434 -11.913 1.00 0.00 H new ATOM 1239 N GLN A 79 9.380 6.210 -9.581 1.00 0.00 N ATOM 1240 CA GLN A 79 8.425 5.264 -10.122 1.00 0.00 C ATOM 1241 C GLN A 79 6.999 5.759 -9.901 1.00 0.00 C ATOM 1242 O GLN A 79 6.113 5.490 -10.705 1.00 0.00 O ATOM 1243 CB GLN A 79 8.605 3.887 -9.465 1.00 0.00 C ATOM 1244 CG GLN A 79 10.041 3.369 -9.477 1.00 0.00 C ATOM 1245 CD GLN A 79 10.852 3.821 -8.270 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.596 4.875 -7.679 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.843 3.028 -7.896 1.00 0.00 N ATOM 0 H GLN A 79 9.881 5.872 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 79 8.604 5.172 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.259 3.942 -8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.967 3.167 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.027 2.280 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.535 3.709 -10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.026 2.165 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.424 3.280 -7.096 1.00 0.00 H new ATOM 1256 N SER A 80 6.803 6.505 -8.819 1.00 0.00 N ATOM 1257 CA SER A 80 5.482 6.978 -8.424 1.00 0.00 C ATOM 1258 C SER A 80 4.779 7.727 -9.558 1.00 0.00 C ATOM 1259 O SER A 80 3.674 7.362 -9.953 1.00 0.00 O ATOM 1260 CB SER A 80 5.601 7.883 -7.198 1.00 0.00 C ATOM 1261 OG SER A 80 4.327 8.262 -6.712 1.00 0.00 O ATOM 0 H SER A 80 7.553 6.798 -8.193 1.00 0.00 H new ATOM 0 HA SER A 80 4.877 6.104 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.152 7.365 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.174 8.774 -7.455 1.00 0.00 H new ATOM 0 HG SER A 80 4.300 9.234 -6.587 1.00 0.00 H new ATOM 1267 N GLU A 81 5.430 8.756 -10.093 1.00 0.00 N ATOM 1268 CA GLU A 81 4.810 9.590 -11.116 1.00 0.00 C ATOM 1269 C GLU A 81 4.560 8.793 -12.394 1.00 0.00 C ATOM 1270 O GLU A 81 3.539 8.970 -13.056 1.00 0.00 O ATOM 1271 CB GLU A 81 5.676 10.817 -11.410 1.00 0.00 C ATOM 1272 CG GLU A 81 5.063 11.759 -12.436 1.00 0.00 C ATOM 1273 CD GLU A 81 5.852 13.036 -12.611 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.852 13.028 -13.358 1.00 0.00 O ATOM 1275 OE2 GLU A 81 5.459 14.067 -12.024 1.00 0.00 O ATOM 0 H GLU A 81 6.379 9.030 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 81 3.847 9.930 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.846 11.363 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.651 10.487 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.994 11.247 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.046 12.006 -12.132 1.00 0.00 H new ATOM 1282 N ALA A 82 5.487 7.905 -12.725 1.00 0.00 N ATOM 1283 CA ALA A 82 5.359 7.081 -13.918 1.00 0.00 C ATOM 1284 C ALA A 82 4.186 6.112 -13.790 1.00 0.00 C ATOM 1285 O ALA A 82 3.443 5.889 -14.750 1.00 0.00 O ATOM 1286 CB ALA A 82 6.653 6.332 -14.180 1.00 0.00 C ATOM 0 H ALA A 82 6.335 7.737 -12.184 1.00 0.00 H new ATOM 0 HA ALA A 82 5.159 7.734 -14.767 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.544 5.719 -15.075 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.464 7.046 -14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.882 5.692 -13.328 1.00 0.00 H new ATOM 1292 N ILE A 83 4.020 5.545 -12.600 1.00 0.00 N ATOM 1293 CA ILE A 83 2.901 4.652 -12.326 1.00 0.00 C ATOM 1294 C ILE A 83 1.595 5.442 -12.271 1.00 0.00 C ATOM 1295 O ILE A 83 0.585 5.024 -12.828 1.00 0.00 O ATOM 1296 CB ILE A 83 3.103 3.878 -11.003 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.356 3.000 -11.090 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.879 3.030 -10.684 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.704 2.300 -9.793 1.00 0.00 C ATOM 0 H ILE A 83 4.648 5.689 -11.809 1.00 0.00 H new ATOM 0 HA ILE A 83 2.851 3.926 -13.138 1.00 0.00 H new ATOM 0 HB ILE A 83 3.237 4.599 -10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.210 2.251 -11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.200 3.618 -11.396 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.042 2.493 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.006 3.675 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.712 2.314 -11.489 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.602 1.698 -9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.883 3.043 -9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.878 1.655 -9.495 1.00 0.00 H new ATOM 1311 N GLY A 84 1.633 6.598 -11.619 1.00 0.00 N ATOM 1312 CA GLY A 84 0.462 7.453 -11.555 1.00 0.00 C ATOM 1313 C GLY A 84 -0.001 7.873 -12.934 1.00 0.00 C ATOM 1314 O GLY A 84 -1.195 7.894 -13.217 1.00 0.00 O ATOM 0 H GLY A 84 2.454 6.959 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.345 6.927 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.690 8.339 -10.962 1.00 0.00 H new ATOM 1318 N ASP A 85 0.962 8.180 -13.794 1.00 0.00 N ATOM 1319 CA ASP A 85 0.700 8.578 -15.178 1.00 0.00 C ATOM 1320 C ASP A 85 -0.098 7.521 -15.927 1.00 0.00 C ATOM 1321 O ASP A 85 -0.897 7.835 -16.812 1.00 0.00 O ATOM 1322 CB ASP A 85 2.023 8.793 -15.898 1.00 0.00 C ATOM 1323 CG ASP A 85 1.841 9.251 -17.329 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.475 10.425 -17.542 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.067 8.434 -18.245 1.00 0.00 O ATOM 0 H ASP A 85 1.953 8.161 -13.553 1.00 0.00 H new ATOM 0 HA ASP A 85 0.116 9.498 -15.156 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.611 9.533 -15.356 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.593 7.864 -15.888 1.00 0.00 H new ATOM 1330 N ARG A 86 0.130 6.270 -15.554 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.533 5.124 -16.176 1.00 0.00 C ATOM 1332 C ARG A 86 -2.055 5.297 -16.159 1.00 0.00 C ATOM 1333 O ARG A 86 -2.749 4.866 -17.079 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.140 3.851 -15.426 1.00 0.00 C ATOM 1335 CG ARG A 86 0.202 2.667 -16.316 1.00 0.00 C ATOM 1336 CD ARG A 86 -1.004 2.112 -17.055 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.602 1.044 -17.970 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.073 -0.202 -17.936 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -2.051 -0.526 -17.098 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -0.571 -1.120 -18.756 1.00 0.00 N ATOM 0 H ARG A 86 0.781 6.016 -14.810 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.215 5.052 -17.216 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.719 4.070 -14.791 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.960 3.567 -14.766 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.957 2.971 -17.041 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.643 1.878 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.731 1.730 -16.339 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.494 2.910 -17.612 1.00 0.00 H new ATOM 0 HE ARG A 86 0.089 1.269 -18.686 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.445 0.180 -16.477 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.408 -1.481 -17.076 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.172 -0.870 -19.408 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.929 -2.075 -18.733 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.564 5.929 -15.108 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.995 6.200 -14.990 1.00 0.00 C ATOM 1356 C PHE A 87 -4.248 7.700 -14.839 1.00 0.00 C ATOM 1357 O PHE A 87 -5.360 8.127 -14.528 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.604 5.427 -13.812 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.586 4.834 -12.876 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.004 5.604 -11.886 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -3.216 3.503 -12.988 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.069 5.061 -11.027 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -2.282 2.954 -12.133 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.707 3.734 -11.151 1.00 0.00 C ATOM 0 H PHE A 87 -2.007 6.265 -14.322 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.481 5.860 -15.905 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.254 6.097 -13.248 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.233 4.627 -14.202 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.284 6.642 -11.783 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.664 2.888 -13.754 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.621 5.674 -10.259 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.002 1.916 -12.232 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.975 3.308 -10.481 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.191 8.480 -15.059 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.254 9.949 -15.065 1.00 0.00 C ATOM 1376 C ASN A 88 -3.569 10.503 -13.671 1.00 0.00 C ATOM 1377 O ASN A 88 -4.160 11.573 -13.527 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.292 10.438 -16.085 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.134 11.910 -16.431 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.022 12.445 -16.439 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.243 12.576 -16.708 1.00 0.00 N ATOM 0 H ASN A 88 -2.257 8.112 -15.240 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.272 10.322 -15.357 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.207 9.845 -16.995 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.293 10.269 -15.687 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.198 13.568 -16.939 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.143 12.097 -16.691 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.140 9.789 -12.642 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.377 10.213 -11.269 1.00 0.00 C ATOM 1390 C VAL A 89 -2.185 11.009 -10.738 1.00 0.00 C ATOM 1391 O VAL A 89 -1.057 10.515 -10.718 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.656 9.009 -10.342 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.803 9.455 -8.895 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.906 8.274 -10.794 1.00 0.00 C ATOM 0 H VAL A 89 -2.626 8.913 -12.731 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.261 10.851 -11.274 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.805 8.331 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.999 8.587 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.883 9.940 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.633 10.157 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.090 7.428 -10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.759 8.952 -10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.767 7.913 -11.813 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.442 12.244 -10.323 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.401 13.107 -9.785 1.00 0.00 C ATOM 1406 C ARG A 90 -1.970 14.037 -8.711 1.00 0.00 C ATOM 1407 O ARG A 90 -2.537 15.079 -9.032 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.746 13.929 -10.909 1.00 0.00 C ATOM 1409 CG ARG A 90 0.186 15.028 -10.408 1.00 0.00 C ATOM 1410 CD ARG A 90 0.732 15.872 -11.549 1.00 0.00 C ATOM 1411 NE ARG A 90 1.993 15.351 -12.077 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.318 15.343 -13.367 1.00 0.00 C ATOM 1413 NH1 ARG A 90 1.434 15.718 -14.286 1.00 0.00 N ATOM 1414 NH2 ARG A 90 3.524 14.939 -13.740 1.00 0.00 N ATOM 0 H ARG A 90 -3.368 12.671 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.640 12.476 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.184 13.257 -11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.528 14.380 -11.519 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.351 15.668 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.014 14.580 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.005 15.913 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.882 16.894 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 90 2.667 14.969 -11.413 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.500 16.014 -14.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.690 15.709 -15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.200 14.635 -13.039 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.776 14.932 -14.728 1.00 0.00 H new ATOM 1428 N ARG A 91 -1.858 13.604 -7.452 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.176 14.416 -6.267 1.00 0.00 C ATOM 1430 C ARG A 91 -2.120 13.545 -5.025 1.00 0.00 C ATOM 1431 O ARG A 91 -2.951 12.653 -4.860 1.00 0.00 O ATOM 1432 CB ARG A 91 -3.561 15.076 -6.331 1.00 0.00 C ATOM 1433 CG ARG A 91 -3.526 16.543 -6.739 1.00 0.00 C ATOM 1434 CD ARG A 91 -4.804 17.266 -6.349 1.00 0.00 C ATOM 1435 NE ARG A 91 -6.002 16.583 -6.835 1.00 0.00 N ATOM 1436 CZ ARG A 91 -7.192 16.667 -6.239 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -7.346 17.424 -5.161 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -8.233 16.003 -6.721 1.00 0.00 N ATOM 0 H ARG A 91 -1.538 12.663 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.433 15.213 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.182 14.527 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.039 14.992 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.673 17.031 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.380 16.618 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.853 17.351 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.780 18.280 -6.748 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.923 16.011 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.553 17.944 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.257 17.486 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.127 15.423 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.140 16.072 -6.260 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.126 13.805 -4.173 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.965 13.090 -2.901 1.00 0.00 C ATOM 1454 C PHE A 92 -0.589 11.621 -3.126 1.00 0.00 C ATOM 1455 O PHE A 92 -0.689 11.108 -4.242 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.246 13.190 -2.053 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.648 14.601 -1.717 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.978 15.314 -0.736 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.702 15.210 -2.380 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.349 16.607 -0.424 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -4.078 16.503 -2.074 1.00 0.00 C ATOM 1462 CZ PHE A 92 -3.401 17.203 -1.093 1.00 0.00 C ATOM 0 H PHE A 92 -0.412 14.513 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.148 13.566 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.063 12.708 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.101 12.634 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.156 14.853 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.236 14.666 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.817 17.152 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.899 16.966 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.694 18.214 -0.850 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.108 10.930 -2.075 1.00 0.00 N ATOM 1473 CA PRO A 93 0.159 9.493 -2.142 1.00 0.00 C ATOM 1474 C PRO A 93 -1.136 8.701 -2.295 1.00 0.00 C ATOM 1475 O PRO A 93 -2.115 8.955 -1.588 1.00 0.00 O ATOM 1476 CB PRO A 93 0.822 9.167 -0.798 1.00 0.00 C ATOM 1477 CG PRO A 93 1.199 10.483 -0.207 1.00 0.00 C ATOM 1478 CD PRO A 93 0.226 11.485 -0.754 1.00 0.00 C ATOM 0 HA PRO A 93 0.782 9.232 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.138 8.625 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.699 8.534 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.151 10.448 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.222 10.750 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.656 11.579 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.669 12.478 -0.833 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.147 7.754 -3.217 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.340 6.971 -3.478 1.00 0.00 C ATOM 1488 C ALA A 94 -2.008 5.493 -3.576 1.00 0.00 C ATOM 1489 O ALA A 94 -0.966 5.120 -4.108 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.015 7.446 -4.756 1.00 0.00 C ATOM 0 H ALA A 94 -0.344 7.510 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.028 7.111 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.909 6.849 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.294 8.495 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.327 7.335 -5.594 1.00 0.00 H new ATOM 1496 N THR A 95 -2.890 4.657 -3.052 1.00 0.00 N ATOM 1497 CA THR A 95 -2.731 3.224 -3.161 1.00 0.00 C ATOM 1498 C THR A 95 -3.909 2.660 -3.937 1.00 0.00 C ATOM 1499 O THR A 95 -5.050 2.777 -3.497 1.00 0.00 O ATOM 1500 CB THR A 95 -2.671 2.567 -1.768 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.803 3.319 -0.910 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.172 1.133 -1.866 1.00 0.00 C ATOM 0 H THR A 95 -3.725 4.952 -2.546 1.00 0.00 H new ATOM 0 HA THR A 95 -1.796 3.010 -3.678 1.00 0.00 H new ATOM 0 HB THR A 95 -3.678 2.558 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.303 4.059 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.138 0.691 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.847 0.555 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.172 1.124 -2.301 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.652 2.087 -5.097 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.732 1.600 -5.938 1.00 0.00 C ATOM 1512 C LEU A 96 -5.028 0.136 -5.661 1.00 0.00 C ATOM 1513 O LEU A 96 -4.119 -0.668 -5.456 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.425 1.815 -7.421 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.423 3.276 -7.880 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -3.089 3.944 -7.577 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.757 3.370 -9.360 1.00 0.00 C ATOM 0 H LEU A 96 -2.716 1.947 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.622 2.179 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.450 1.380 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.159 1.266 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.193 3.809 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.116 4.980 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.904 3.916 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.291 3.415 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.751 4.415 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.015 2.817 -9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.745 2.945 -9.538 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.310 -0.195 -5.652 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.759 -1.536 -5.321 1.00 0.00 C ATOM 1531 C VAL A 97 -7.009 -2.353 -6.583 1.00 0.00 C ATOM 1532 O VAL A 97 -7.990 -2.135 -7.306 1.00 0.00 O ATOM 1533 CB VAL A 97 -8.045 -1.502 -4.468 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.458 -2.907 -4.050 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.860 -0.610 -3.246 1.00 0.00 C ATOM 0 H VAL A 97 -7.064 0.455 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.966 -2.008 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.843 -1.082 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.367 -2.856 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.643 -3.511 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.660 -3.361 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.779 -0.601 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.043 -0.995 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.625 0.405 -3.568 1.00 0.00 H new ATOM 1545 N PHE A 98 -6.105 -3.278 -6.852 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.239 -4.173 -7.984 1.00 0.00 C ATOM 1547 C PHE A 98 -6.730 -5.521 -7.488 1.00 0.00 C ATOM 1548 O PHE A 98 -6.008 -6.227 -6.789 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.896 -4.338 -8.711 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.342 -3.057 -9.271 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.766 -2.110 -8.439 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.395 -2.802 -10.631 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -3.262 -0.932 -8.952 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.888 -1.626 -11.147 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.323 -0.689 -10.307 1.00 0.00 C ATOM 0 H PHE A 98 -5.264 -3.428 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.955 -3.752 -8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.170 -4.764 -8.019 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.020 -5.054 -9.523 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.711 -2.296 -7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.837 -3.530 -11.295 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.820 -0.201 -8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.934 -1.439 -12.210 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.930 0.232 -10.710 1.00 0.00 H new ATOM 1565 N THR A 99 -7.959 -5.863 -7.825 1.00 0.00 N ATOM 1566 CA THR A 99 -8.559 -7.106 -7.365 1.00 0.00 C ATOM 1567 C THR A 99 -9.330 -7.770 -8.493 1.00 0.00 C ATOM 1568 O THR A 99 -9.833 -7.086 -9.389 1.00 0.00 O ATOM 1569 CB THR A 99 -9.497 -6.869 -6.161 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.297 -5.696 -6.380 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.705 -6.717 -4.869 1.00 0.00 C ATOM 0 H THR A 99 -8.565 -5.296 -8.418 1.00 0.00 H new ATOM 0 HA THR A 99 -7.751 -7.763 -7.044 1.00 0.00 H new ATOM 0 HB THR A 99 -10.147 -7.739 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.770 -5.464 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.392 -6.551 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.128 -7.624 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.028 -5.867 -4.955 1.00 0.00 H new ATOM 1579 N ASP A 100 -9.389 -9.100 -8.462 1.00 0.00 N ATOM 1580 CA ASP A 100 -10.091 -9.885 -9.484 1.00 0.00 C ATOM 1581 C ASP A 100 -9.324 -9.835 -10.800 1.00 0.00 C ATOM 1582 O ASP A 100 -9.818 -10.252 -11.850 1.00 0.00 O ATOM 1583 CB ASP A 100 -11.513 -9.351 -9.693 1.00 0.00 C ATOM 1584 CG ASP A 100 -12.457 -10.381 -10.283 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.867 -11.306 -9.556 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.819 -10.251 -11.472 1.00 0.00 O ATOM 0 H ASP A 100 -8.955 -9.665 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.152 -10.918 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.910 -9.009 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.475 -8.483 -10.351 1.00 0.00 H new ATOM 1591 N GLY A 101 -8.109 -9.324 -10.730 1.00 0.00 N ATOM 1592 CA GLY A 101 -7.314 -9.135 -11.920 1.00 0.00 C ATOM 1593 C GLY A 101 -7.557 -7.786 -12.574 1.00 0.00 C ATOM 1594 O GLY A 101 -6.918 -7.461 -13.575 1.00 0.00 O ATOM 0 H GLY A 101 -7.656 -9.035 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.258 -9.227 -11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.540 -9.927 -12.634 1.00 0.00 H new ATOM 1598 N LYS A 102 -8.475 -6.992 -12.021 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.770 -5.685 -12.601 1.00 0.00 C ATOM 1600 C LYS A 102 -8.712 -4.562 -11.565 1.00 0.00 C ATOM 1601 O LYS A 102 -8.712 -4.802 -10.357 1.00 0.00 O ATOM 1602 CB LYS A 102 -10.132 -5.693 -13.306 1.00 0.00 C ATOM 1603 CG LYS A 102 -11.277 -6.242 -12.470 1.00 0.00 C ATOM 1604 CD LYS A 102 -12.615 -5.990 -13.152 1.00 0.00 C ATOM 1605 CE LYS A 102 -13.766 -6.678 -12.435 1.00 0.00 C ATOM 1606 NZ LYS A 102 -13.776 -8.146 -12.672 1.00 0.00 N ATOM 0 H LYS A 102 -9.017 -7.226 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.993 -5.486 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.376 -4.674 -13.607 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.050 -6.284 -14.218 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.139 -7.312 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.272 -5.774 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.804 -4.917 -13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.568 -6.344 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.693 -6.485 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.710 -6.250 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.754 -8.497 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.371 -8.349 -13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.210 -8.620 -11.940 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.666 -3.331 -12.055 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.571 -2.160 -11.196 1.00 0.00 C ATOM 1622 C LEU A 103 -9.965 -1.672 -10.811 1.00 0.00 C ATOM 1623 O LEU A 103 -10.786 -1.365 -11.676 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.794 -1.048 -11.915 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.566 0.236 -11.109 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.763 -0.048 -9.851 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.863 1.278 -11.965 1.00 0.00 C ATOM 0 H LEU A 103 -8.693 -3.117 -13.052 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.037 -2.430 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.823 -1.444 -12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.328 -0.790 -12.829 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.538 0.628 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.615 0.879 -9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.303 -0.761 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.794 -0.466 -10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.707 2.185 -11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.900 0.889 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.477 1.509 -12.835 1.00 0.00 H new ATOM 1639 N ARG A 104 -10.236 -1.614 -9.512 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.546 -1.193 -9.031 1.00 0.00 C ATOM 1641 C ARG A 104 -11.515 0.220 -8.457 1.00 0.00 C ATOM 1642 O ARG A 104 -12.565 0.836 -8.256 1.00 0.00 O ATOM 1643 CB ARG A 104 -12.078 -2.175 -7.991 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.657 -3.441 -8.599 1.00 0.00 C ATOM 1645 CD ARG A 104 -13.174 -4.382 -7.527 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.939 -5.493 -8.092 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.767 -6.767 -7.742 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -12.785 -7.107 -6.912 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.558 -7.708 -8.240 1.00 0.00 N ATOM 0 H ARG A 104 -9.570 -1.852 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 104 -12.218 -1.186 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.271 -2.444 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.847 -1.682 -7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.468 -3.182 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.893 -3.945 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.334 -4.775 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.802 -3.827 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.646 -5.280 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.160 -6.391 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.657 -8.083 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.300 -7.457 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.424 -8.682 -7.970 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.325 0.734 -8.189 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.216 2.093 -7.689 1.00 0.00 C ATOM 1665 C GLY A 105 -8.973 2.312 -6.855 1.00 0.00 C ATOM 1666 O GLY A 105 -8.046 1.504 -6.895 1.00 0.00 O ATOM 0 H GLY A 105 -9.439 0.242 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.210 2.786 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.096 2.327 -7.090 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.957 3.398 -6.095 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.811 3.738 -5.269 1.00 0.00 C ATOM 1672 C ALA A 106 -8.254 4.101 -3.858 1.00 0.00 C ATOM 1673 O ALA A 106 -9.383 4.543 -3.647 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.029 4.882 -5.895 1.00 0.00 C ATOM 0 H ALA A 106 -9.730 4.061 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.160 2.866 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.174 5.126 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.679 4.585 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.673 5.756 -5.986 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.358 3.908 -2.902 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.645 4.172 -1.501 1.00 0.00 C ATOM 1682 C LEU A 107 -6.881 5.406 -1.030 1.00 0.00 C ATOM 1683 O LEU A 107 -7.128 5.926 0.058 1.00 0.00 O ATOM 1684 CB LEU A 107 -7.234 2.952 -0.663 1.00 0.00 C ATOM 1685 CG LEU A 107 -8.268 2.456 0.357 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.502 3.490 1.446 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -9.575 2.108 -0.333 1.00 0.00 C ATOM 0 H LEU A 107 -6.413 3.565 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.712 4.357 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.001 2.132 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.315 3.196 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.871 1.555 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.239 3.112 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.565 3.688 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.870 4.413 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.295 1.758 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.969 2.993 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.400 1.323 -1.069 1.00 0.00 H new ATOM 1699 N SER A 108 -5.960 5.873 -1.875 1.00 0.00 N ATOM 1700 CA SER A 108 -5.041 6.946 -1.511 1.00 0.00 C ATOM 1701 C SER A 108 -4.182 6.522 -0.316 1.00 0.00 C ATOM 1702 O SER A 108 -4.061 5.329 -0.025 1.00 0.00 O ATOM 1703 CB SER A 108 -5.817 8.230 -1.196 1.00 0.00 C ATOM 1704 OG SER A 108 -6.654 8.591 -2.280 1.00 0.00 O ATOM 0 H SER A 108 -5.833 5.519 -2.823 1.00 0.00 H new ATOM 0 HA SER A 108 -4.381 7.146 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.419 8.086 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.119 9.040 -0.985 1.00 0.00 H new ATOM 0 HG SER A 108 -7.141 9.412 -2.058 1.00 0.00 H new ATOM 1710 N GLY A 109 -3.549 7.484 0.336 1.00 0.00 N ATOM 1711 CA GLY A 109 -2.826 7.197 1.558 1.00 0.00 C ATOM 1712 C GLY A 109 -3.745 7.205 2.762 1.00 0.00 C ATOM 1713 O GLY A 109 -3.420 6.623 3.791 1.00 0.00 O ATOM 0 H GLY A 109 -3.522 8.460 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.342 6.224 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.036 7.936 1.697 1.00 0.00 H new ATOM 1717 N ILE A 110 -4.894 7.877 2.601 1.00 0.00 N ATOM 1718 CA ILE A 110 -5.932 8.001 3.636 1.00 0.00 C ATOM 1719 C ILE A 110 -5.373 8.575 4.954 1.00 0.00 C ATOM 1720 O ILE A 110 -4.227 9.024 5.014 1.00 0.00 O ATOM 1721 CB ILE A 110 -6.694 6.654 3.870 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -8.132 6.934 4.325 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -5.987 5.752 4.880 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -8.976 5.689 4.505 1.00 0.00 C ATOM 0 H ILE A 110 -5.133 8.358 1.734 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.661 8.719 3.259 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.708 6.121 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.104 7.480 5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.613 7.584 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.556 4.831 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.987 5.514 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.913 6.267 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.978 5.972 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.038 5.151 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.520 5.046 5.258 1.00 0.00 H new ATOM 1736 N HIS A 111 -6.208 8.610 5.988 1.00 0.00 N ATOM 1737 CA HIS A 111 -5.807 9.126 7.292 1.00 0.00 C ATOM 1738 C HIS A 111 -6.825 8.718 8.365 1.00 0.00 C ATOM 1739 O HIS A 111 -6.439 8.190 9.408 1.00 0.00 O ATOM 1740 CB HIS A 111 -5.633 10.653 7.252 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.063 11.238 8.513 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -5.367 12.507 8.958 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.189 10.728 9.415 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -4.707 12.750 10.074 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -3.984 11.690 10.374 1.00 0.00 N ATOM 0 H HIS A 111 -7.174 8.284 5.947 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.842 8.689 7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.982 10.912 6.417 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.601 11.113 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.738 9.747 9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -4.752 13.665 10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.372 11.599 11.185 1.00 0.00 H new ATOM 1754 N PRO A 112 -8.137 8.968 8.147 1.00 0.00 N ATOM 1755 CA PRO A 112 -9.179 8.505 9.058 1.00 0.00 C ATOM 1756 C PRO A 112 -9.516 7.037 8.818 1.00 0.00 C ATOM 1757 O PRO A 112 -9.092 6.449 7.822 1.00 0.00 O ATOM 1758 CB PRO A 112 -10.393 9.394 8.727 1.00 0.00 C ATOM 1759 CG PRO A 112 -9.939 10.340 7.661 1.00 0.00 C ATOM 1760 CD PRO A 112 -8.724 9.724 7.033 1.00 0.00 C ATOM 0 HA PRO A 112 -8.870 8.576 10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -11.233 8.792 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.731 9.936 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.723 10.494 6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -9.704 11.317 8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.984 9.076 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.038 10.480 6.650 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.268 6.446 9.730 1.00 0.00 N ATOM 1769 CA TRP A 113 -10.665 5.056 9.593 1.00 0.00 C ATOM 1770 C TRP A 113 -12.133 4.887 9.972 1.00 0.00 C ATOM 1771 O TRP A 113 -12.464 4.557 11.113 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.779 4.157 10.465 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.925 2.687 10.181 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.050 1.925 10.331 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.900 1.800 9.718 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.790 0.626 9.977 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.478 0.521 9.600 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.552 1.960 9.386 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.755 -0.586 9.170 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.835 0.858 8.958 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.438 -0.400 8.853 1.00 0.00 C ATOM 0 H TRP A 113 -10.615 6.906 10.572 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.538 4.758 8.552 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.737 4.442 10.320 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.016 4.339 11.513 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.004 2.293 10.678 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.465 -0.139 9.992 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.079 2.928 9.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.217 -1.559 9.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.792 0.970 8.700 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.851 -1.241 8.515 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.008 5.162 9.021 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.438 4.957 9.210 1.00 0.00 C ATOM 1794 C ALA A 114 -15.095 4.590 7.889 1.00 0.00 C ATOM 1795 O ALA A 114 -15.920 3.679 7.817 1.00 0.00 O ATOM 1796 CB ALA A 114 -15.084 6.204 9.800 1.00 0.00 C ATOM 0 H ALA A 114 -12.754 5.530 8.104 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.582 4.134 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.152 6.032 9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.629 6.428 10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.934 7.046 9.124 1.00 0.00 H new ATOM 1802 N GLU A 115 -14.681 5.281 6.841 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.234 5.090 5.508 1.00 0.00 C ATOM 1804 C GLU A 115 -14.686 3.821 4.872 1.00 0.00 C ATOM 1805 O GLU A 115 -15.308 3.248 3.979 1.00 0.00 O ATOM 1806 CB GLU A 115 -14.938 6.303 4.611 1.00 0.00 C ATOM 1807 CG GLU A 115 -13.464 6.700 4.550 1.00 0.00 C ATOM 1808 CD GLU A 115 -12.978 7.369 5.823 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -13.143 8.599 5.947 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -12.464 6.657 6.714 1.00 0.00 O ATOM 0 H GLU A 115 -13.951 5.992 6.889 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.315 4.990 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.285 6.085 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.516 7.154 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.862 5.812 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.310 7.376 3.709 1.00 0.00 H new ATOM 1817 N LEU A 116 -13.521 3.382 5.342 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.899 2.156 4.853 1.00 0.00 C ATOM 1819 C LEU A 116 -13.851 0.968 4.948 1.00 0.00 C ATOM 1820 O LEU A 116 -13.812 0.066 4.113 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.619 1.861 5.634 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.327 2.028 4.834 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.117 1.843 5.735 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.285 1.035 3.677 1.00 0.00 C ATOM 0 H LEU A 116 -12.986 3.862 6.066 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.653 2.308 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.580 2.519 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.667 0.839 6.011 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.302 3.038 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.206 1.965 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.139 2.587 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.137 0.844 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.359 1.167 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.331 0.019 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.135 1.209 3.017 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.710 0.978 5.958 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.670 -0.098 6.149 1.00 0.00 C ATOM 1838 C LEU A 117 -16.642 -0.135 4.972 1.00 0.00 C ATOM 1839 O LEU A 117 -16.907 -1.193 4.402 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.420 0.102 7.475 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.889 -1.175 8.189 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.955 -1.904 7.384 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.704 -2.093 8.458 1.00 0.00 C ATOM 0 H LEU A 117 -14.761 1.719 6.657 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.145 -1.052 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.772 0.656 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.292 0.728 7.284 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.335 -0.883 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -18.264 -2.802 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.816 -1.251 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.550 -2.182 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -16.050 -2.994 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.233 -2.365 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.980 -1.577 9.089 1.00 0.00 H new ATOM 1855 N THR A 118 -17.144 1.035 4.596 1.00 0.00 N ATOM 1856 CA THR A 118 -18.071 1.151 3.480 1.00 0.00 C ATOM 1857 C THR A 118 -17.349 0.927 2.151 1.00 0.00 C ATOM 1858 O THR A 118 -17.870 0.263 1.253 1.00 0.00 O ATOM 1859 CB THR A 118 -18.735 2.540 3.463 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.082 2.929 4.799 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.985 2.538 2.599 1.00 0.00 C ATOM 0 H THR A 118 -16.922 1.920 5.051 1.00 0.00 H new ATOM 0 HA THR A 118 -18.837 0.387 3.608 1.00 0.00 H new ATOM 0 HB THR A 118 -18.023 3.251 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.503 3.814 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.433 3.532 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.721 2.266 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.699 1.815 2.994 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.142 1.479 2.041 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.330 1.325 0.839 1.00 0.00 C ATOM 1871 C LEU A 119 -15.054 -0.148 0.575 1.00 0.00 C ATOM 1872 O LEU A 119 -15.174 -0.617 -0.556 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.010 2.090 0.976 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.139 3.609 1.095 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.769 4.247 1.266 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.846 4.179 -0.124 1.00 0.00 C ATOM 0 H LEU A 119 -15.705 2.038 2.773 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.884 1.738 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.484 1.718 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.387 1.862 0.111 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.737 3.838 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.879 5.328 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.297 3.860 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.147 4.011 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.930 5.261 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.274 3.941 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.842 3.744 -0.203 1.00 0.00 H new ATOM 1888 N MET A 120 -14.708 -0.874 1.629 1.00 0.00 N ATOM 1889 CA MET A 120 -14.466 -2.307 1.528 1.00 0.00 C ATOM 1890 C MET A 120 -15.703 -3.017 0.990 1.00 0.00 C ATOM 1891 O MET A 120 -15.610 -3.862 0.102 1.00 0.00 O ATOM 1892 CB MET A 120 -14.065 -2.872 2.901 1.00 0.00 C ATOM 1893 CG MET A 120 -13.846 -4.381 2.935 1.00 0.00 C ATOM 1894 SD MET A 120 -15.376 -5.315 3.172 1.00 0.00 S ATOM 1895 CE MET A 120 -15.915 -4.704 4.770 1.00 0.00 C ATOM 0 H MET A 120 -14.588 -0.493 2.567 1.00 0.00 H new ATOM 0 HA MET A 120 -13.646 -2.479 0.831 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.149 -2.379 3.227 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.840 -2.616 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.376 -4.695 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 120 -13.151 -4.623 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 120 -16.217 -5.543 5.397 1.00 0.00 H new ATOM 0 HE2 MET A 120 -15.096 -4.168 5.250 1.00 0.00 H new ATOM 0 HE3 MET A 120 -16.760 -4.029 4.635 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.867 -2.642 1.511 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.118 -3.266 1.110 1.00 0.00 C ATOM 1907 C ARG A 121 -18.468 -2.908 -0.337 1.00 0.00 C ATOM 1908 O ARG A 121 -19.119 -3.680 -1.038 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.251 -2.836 2.047 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.511 -3.675 1.891 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.254 -5.136 2.238 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.374 -5.997 1.862 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.884 -6.946 2.644 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.376 -7.170 3.850 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -22.895 -7.688 2.216 1.00 0.00 N ATOM 0 H ARG A 121 -16.967 -1.908 2.212 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.994 -4.347 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.905 -2.901 3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.493 -1.790 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.295 -3.279 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.874 -3.602 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.351 -5.475 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.071 -5.227 3.309 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.792 -5.862 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.589 -6.613 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.773 -7.899 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.284 -7.533 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.284 -8.415 2.817 1.00 0.00 H new ATOM 1929 N SER A 122 -18.038 -1.733 -0.772 1.00 0.00 N ATOM 1930 CA SER A 122 -18.292 -1.282 -2.132 1.00 0.00 C ATOM 1931 C SER A 122 -17.373 -2.006 -3.118 1.00 0.00 C ATOM 1932 O SER A 122 -17.789 -2.381 -4.218 1.00 0.00 O ATOM 1933 CB SER A 122 -18.095 0.235 -2.227 1.00 0.00 C ATOM 1934 OG SER A 122 -18.510 0.744 -3.488 1.00 0.00 O ATOM 0 H SER A 122 -17.510 -1.073 -0.201 1.00 0.00 H new ATOM 0 HA SER A 122 -19.324 -1.518 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.659 0.725 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.044 0.476 -2.066 1.00 0.00 H new ATOM 0 HG SER A 122 -18.371 1.714 -3.511 1.00 0.00 H new ATOM 1940 N ILE A 123 -16.125 -2.212 -2.711 1.00 0.00 N ATOM 1941 CA ILE A 123 -15.145 -2.888 -3.557 1.00 0.00 C ATOM 1942 C ILE A 123 -15.411 -4.392 -3.610 1.00 0.00 C ATOM 1943 O ILE A 123 -15.453 -4.985 -4.688 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.701 -2.640 -3.066 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.376 -1.144 -3.117 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.698 -3.432 -3.901 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -12.006 -0.791 -2.571 1.00 0.00 C ATOM 0 H ILE A 123 -15.767 -1.921 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 123 -15.249 -2.469 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.626 -2.982 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.443 -0.803 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.132 -0.599 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.689 -3.241 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.917 -4.497 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.771 -3.125 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.852 0.286 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.940 -1.099 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.240 -1.306 -3.150 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.602 -5.006 -2.446 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.834 -6.440 -2.372 1.00 0.00 C ATOM 1961 C VAL A 124 -17.046 -6.765 -1.501 1.00 0.00 C ATOM 1962 O VAL A 124 -16.924 -7.165 -0.341 1.00 0.00 O ATOM 1963 CB VAL A 124 -14.586 -7.214 -1.876 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -13.541 -7.277 -2.980 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.998 -6.576 -0.624 1.00 0.00 C ATOM 0 H VAL A 124 -15.600 -4.531 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 124 -16.041 -6.772 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.895 -8.227 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.667 -7.822 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.959 -7.788 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -13.247 -6.266 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.124 -7.143 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.704 -5.549 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.744 -6.578 0.170 1.00 0.00 H new ATOM 1975 N ASP A 125 -18.226 -6.549 -2.062 1.00 0.00 N ATOM 1976 CA ASP A 125 -19.468 -6.926 -1.398 1.00 0.00 C ATOM 1977 C ASP A 125 -19.547 -8.443 -1.287 1.00 0.00 C ATOM 1978 O ASP A 125 -19.968 -8.985 -0.264 1.00 0.00 O ATOM 1979 CB ASP A 125 -20.671 -6.387 -2.174 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.994 -6.706 -1.507 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -22.423 -5.933 -0.619 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -22.623 -7.716 -1.879 1.00 0.00 O ATOM 0 H ASP A 125 -18.351 -6.114 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.483 -6.493 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.574 -5.306 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -20.666 -6.807 -3.180 1.00 0.00 H new