USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 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 Set 1.1: A 42 SER OG : rot 10:sc= 1.17 USER MOD Set 1.2: A 80 SER OG : rot 61:sc= 1.69 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= 0.589 K(o=0.59,f=-3.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -29:sc= 0.668 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0.574 (180deg=0.37) USER MOD Single : A 57 MET CE :methyl -141:sc= -0.273 (180deg=-1.45) USER MOD Single : A 67 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.8!) USER MOD Single : A 71 GLN : amide:sc= -4.57! K(o=-4.6!,f=-1.7) USER MOD Single : A 79 GLN : amide:sc= 0.647 K(o=0.65,f=-0.49) USER MOD Single : A 88 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.078) USER MOD Single : A 95 THR OG1 : rot 120:sc= -1.43! USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.962) USER MOD Single : A 108 SER OG : rot 180:sc= -0.069 USER MOD Single : A 111 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -144:sc= -0.634 (180deg=-1.26) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 16.564 3.054 4.716 1.00 0.00 N ATOM 126 CA LEU A 10 15.210 2.808 5.195 1.00 0.00 C ATOM 127 C LEU A 10 14.548 1.688 4.402 1.00 0.00 C ATOM 128 O LEU A 10 13.699 0.960 4.922 1.00 0.00 O ATOM 129 CB LEU A 10 14.374 4.087 5.095 1.00 0.00 C ATOM 130 CG LEU A 10 14.919 5.281 5.882 1.00 0.00 C ATOM 131 CD1 LEU A 10 14.071 6.519 5.633 1.00 0.00 C ATOM 132 CD2 LEU A 10 14.976 4.961 7.370 1.00 0.00 C ATOM 0 HA LEU A 10 15.268 2.501 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.294 4.369 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.364 3.871 5.445 1.00 0.00 H new ATOM 0 HG LEU A 10 15.932 5.485 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.475 7.357 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.084 6.761 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.045 6.327 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.366 5.822 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.974 4.728 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.629 4.103 7.533 1.00 0.00 H new ATOM 144 N TRP A 11 14.966 1.535 3.151 1.00 0.00 N ATOM 145 CA TRP A 11 14.369 0.556 2.252 1.00 0.00 C ATOM 146 C TRP A 11 14.669 -0.866 2.728 1.00 0.00 C ATOM 147 O TRP A 11 13.889 -1.787 2.484 1.00 0.00 O ATOM 148 CB TRP A 11 14.892 0.763 0.830 1.00 0.00 C ATOM 149 CG TRP A 11 13.985 0.216 -0.229 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.085 -0.989 -0.858 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.837 0.865 -0.786 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.063 -1.134 -1.767 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.285 -0.008 -1.743 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.219 2.100 -0.566 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.147 0.314 -2.478 1.00 0.00 C ATOM 156 CZ3 TRP A 11 11.089 2.419 -1.297 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.565 1.529 -2.242 1.00 0.00 C ATOM 0 H TRP A 11 15.721 2.080 2.735 1.00 0.00 H new ATOM 0 HA TRP A 11 13.288 0.696 2.254 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.037 1.829 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.870 0.290 0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 11 14.855 -1.723 -0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.910 -1.948 -2.362 1.00 0.00 H new ATOM 0 HE3 TRP A 11 12.617 2.792 0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.739 -0.370 -3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.603 3.370 -1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.682 1.808 -2.797 1.00 0.00 H new ATOM 168 N GLN A 12 15.794 -1.031 3.418 1.00 0.00 N ATOM 169 CA GLN A 12 16.182 -2.320 3.989 1.00 0.00 C ATOM 170 C GLN A 12 15.086 -2.858 4.905 1.00 0.00 C ATOM 171 O GLN A 12 14.774 -4.051 4.897 1.00 0.00 O ATOM 172 CB GLN A 12 17.475 -2.162 4.784 1.00 0.00 C ATOM 173 CG GLN A 12 17.999 -3.457 5.381 1.00 0.00 C ATOM 174 CD GLN A 12 19.103 -3.211 6.389 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.846 -3.065 7.583 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.336 -3.158 5.918 1.00 0.00 N ATOM 0 H GLN A 12 16.460 -0.280 3.597 1.00 0.00 H new ATOM 0 HA GLN A 12 16.334 -3.027 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.240 -1.739 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.309 -1.445 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.180 -3.991 5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.373 -4.099 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.507 -3.284 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.117 -2.991 6.552 1.00 0.00 H new ATOM 185 N ARG A 13 14.501 -1.961 5.686 1.00 0.00 N ATOM 186 CA ARG A 13 13.448 -2.328 6.621 1.00 0.00 C ATOM 187 C ARG A 13 12.210 -2.791 5.862 1.00 0.00 C ATOM 188 O ARG A 13 11.549 -3.753 6.255 1.00 0.00 O ATOM 189 CB ARG A 13 13.085 -1.148 7.533 1.00 0.00 C ATOM 190 CG ARG A 13 14.121 -0.817 8.607 1.00 0.00 C ATOM 191 CD ARG A 13 15.423 -0.281 8.025 1.00 0.00 C ATOM 192 NE ARG A 13 16.251 0.355 9.044 1.00 0.00 N ATOM 193 CZ ARG A 13 17.563 0.562 8.936 1.00 0.00 C ATOM 194 NH1 ARG A 13 18.243 0.103 7.893 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.194 1.224 9.890 1.00 0.00 N ATOM 0 H ARG A 13 14.740 -0.969 5.690 1.00 0.00 H new ATOM 0 HA ARG A 13 13.818 -3.144 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.931 -0.264 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.135 -1.365 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.704 -0.080 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.331 -1.713 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.978 -1.098 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.200 0.438 7.237 1.00 0.00 H new ATOM 0 HE ARG A 13 15.792 0.664 9.901 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.762 -0.417 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.247 0.270 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.677 1.570 10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.198 1.388 9.818 1.00 0.00 H new ATOM 209 N LEU A 14 11.922 -2.115 4.759 1.00 0.00 N ATOM 210 CA LEU A 14 10.756 -2.426 3.945 1.00 0.00 C ATOM 211 C LEU A 14 10.928 -3.771 3.245 1.00 0.00 C ATOM 212 O LEU A 14 10.002 -4.584 3.211 1.00 0.00 O ATOM 213 CB LEU A 14 10.524 -1.318 2.917 1.00 0.00 C ATOM 214 CG LEU A 14 10.388 0.089 3.506 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.166 1.108 2.401 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.253 0.140 4.519 1.00 0.00 C ATOM 0 H LEU A 14 12.485 -1.342 4.405 1.00 0.00 H new ATOM 0 HA LEU A 14 9.886 -2.491 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.352 -1.321 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.620 -1.549 2.353 1.00 0.00 H new ATOM 0 HG LEU A 14 11.316 0.337 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.071 2.103 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.013 1.091 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.254 0.862 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.173 1.148 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.317 -0.129 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.455 -0.562 5.328 1.00 0.00 H new ATOM 228 N LEU A 15 12.121 -4.006 2.705 1.00 0.00 N ATOM 229 CA LEU A 15 12.435 -5.273 2.047 1.00 0.00 C ATOM 230 C LEU A 15 12.286 -6.438 3.016 1.00 0.00 C ATOM 231 O LEU A 15 11.898 -7.541 2.626 1.00 0.00 O ATOM 232 CB LEU A 15 13.859 -5.248 1.489 1.00 0.00 C ATOM 233 CG LEU A 15 14.093 -4.277 0.331 1.00 0.00 C ATOM 234 CD1 LEU A 15 15.558 -4.287 -0.077 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.208 -4.638 -0.852 1.00 0.00 C ATOM 0 H LEU A 15 12.889 -3.334 2.710 1.00 0.00 H new ATOM 0 HA LEU A 15 11.731 -5.407 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.544 -4.994 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.118 -6.253 1.156 1.00 0.00 H new ATOM 0 HG LEU A 15 13.832 -3.272 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.711 -3.591 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.174 -3.985 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.841 -5.291 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.387 -3.937 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.441 -5.649 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.161 -4.586 -0.552 1.00 0.00 H new ATOM 247 N THR A 16 12.585 -6.182 4.282 1.00 0.00 N ATOM 248 CA THR A 16 12.483 -7.201 5.313 1.00 0.00 C ATOM 249 C THR A 16 11.016 -7.547 5.597 1.00 0.00 C ATOM 250 O THR A 16 10.696 -8.664 6.005 1.00 0.00 O ATOM 251 CB THR A 16 13.177 -6.740 6.613 1.00 0.00 C ATOM 252 OG1 THR A 16 14.528 -6.342 6.336 1.00 0.00 O ATOM 253 CG2 THR A 16 13.182 -7.846 7.658 1.00 0.00 C ATOM 0 H THR A 16 12.901 -5.273 4.619 1.00 0.00 H new ATOM 0 HA THR A 16 12.987 -8.095 4.946 1.00 0.00 H new ATOM 0 HB THR A 16 12.616 -5.893 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.532 -5.438 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.677 -7.491 8.562 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.156 -8.128 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.716 -8.712 7.268 1.00 0.00 H new ATOM 261 N ARG A 17 10.121 -6.591 5.360 1.00 0.00 N ATOM 262 CA ARG A 17 8.695 -6.809 5.589 1.00 0.00 C ATOM 263 C ARG A 17 7.981 -7.268 4.319 1.00 0.00 C ATOM 264 O ARG A 17 6.777 -7.515 4.337 1.00 0.00 O ATOM 265 CB ARG A 17 8.029 -5.550 6.148 1.00 0.00 C ATOM 266 CG ARG A 17 8.270 -5.331 7.638 1.00 0.00 C ATOM 267 CD ARG A 17 7.512 -6.345 8.496 1.00 0.00 C ATOM 268 NE ARG A 17 8.045 -7.706 8.375 1.00 0.00 N ATOM 269 CZ ARG A 17 7.338 -8.755 7.938 1.00 0.00 C ATOM 270 NH1 ARG A 17 6.068 -8.597 7.579 1.00 0.00 N ATOM 271 NH2 ARG A 17 7.901 -9.955 7.861 1.00 0.00 N ATOM 0 H ARG A 17 10.356 -5.662 5.011 1.00 0.00 H new ATOM 0 HA ARG A 17 8.608 -7.606 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.397 -4.683 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.955 -5.609 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.337 -5.405 7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.961 -4.322 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.555 -6.035 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.461 -6.345 8.207 1.00 0.00 H new ATOM 0 HE ARG A 17 9.017 -7.863 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.632 -7.676 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.529 -9.396 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.875 -10.080 8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.359 -10.752 7.527 1.00 0.00 H new ATOM 285 N GLY A 18 8.725 -7.376 3.224 1.00 0.00 N ATOM 286 CA GLY A 18 8.169 -7.928 2.000 1.00 0.00 C ATOM 287 C GLY A 18 7.692 -6.873 1.020 1.00 0.00 C ATOM 288 O GLY A 18 6.985 -7.190 0.064 1.00 0.00 O ATOM 0 H GLY A 18 9.703 -7.092 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.923 -8.548 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.334 -8.581 2.252 1.00 0.00 H new ATOM 292 N TRP A 19 8.075 -5.624 1.246 1.00 0.00 N ATOM 293 CA TRP A 19 7.699 -4.538 0.347 1.00 0.00 C ATOM 294 C TRP A 19 8.486 -4.620 -0.954 1.00 0.00 C ATOM 295 O TRP A 19 9.717 -4.614 -0.949 1.00 0.00 O ATOM 296 CB TRP A 19 7.937 -3.182 1.006 1.00 0.00 C ATOM 297 CG TRP A 19 6.916 -2.815 2.041 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.250 -3.657 2.887 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.448 -1.497 2.339 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.391 -2.940 3.684 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.495 -1.611 3.366 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.744 -0.231 1.832 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.836 -0.503 3.895 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.090 0.866 2.355 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.146 0.725 3.376 1.00 0.00 C ATOM 0 H TRP A 19 8.645 -5.336 2.042 1.00 0.00 H new ATOM 0 HA TRP A 19 6.637 -4.641 0.126 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.924 -3.184 1.469 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.949 -2.412 0.234 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.380 -4.729 2.924 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.776 -3.333 4.397 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.473 -0.112 1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.108 -0.609 4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.311 1.850 1.969 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.651 1.603 3.763 1.00 0.00 H new ATOM 316 N GLN A 20 7.766 -4.691 -2.058 1.00 0.00 N ATOM 317 CA GLN A 20 8.381 -4.821 -3.370 1.00 0.00 C ATOM 318 C GLN A 20 8.202 -3.537 -4.179 1.00 0.00 C ATOM 319 O GLN A 20 7.103 -2.987 -4.245 1.00 0.00 O ATOM 320 CB GLN A 20 7.773 -6.014 -4.119 1.00 0.00 C ATOM 321 CG GLN A 20 8.365 -6.239 -5.501 1.00 0.00 C ATOM 322 CD GLN A 20 7.831 -7.490 -6.173 1.00 0.00 C ATOM 323 OE1 GLN A 20 6.696 -7.908 -5.939 1.00 0.00 O ATOM 324 NE2 GLN A 20 8.646 -8.094 -7.021 1.00 0.00 N ATOM 0 H GLN A 20 6.747 -4.661 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 20 9.449 -4.994 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.914 -6.915 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.698 -5.861 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.149 -5.375 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.450 -6.311 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.579 -7.717 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.342 -8.937 -7.508 1.00 0.00 H new ATOM 333 N PRO A 21 9.289 -3.026 -4.777 1.00 0.00 N ATOM 334 CA PRO A 21 9.242 -1.849 -5.643 1.00 0.00 C ATOM 335 C PRO A 21 8.701 -2.183 -7.031 1.00 0.00 C ATOM 336 O PRO A 21 9.139 -3.149 -7.661 1.00 0.00 O ATOM 337 CB PRO A 21 10.709 -1.403 -5.744 1.00 0.00 C ATOM 338 CG PRO A 21 11.478 -2.296 -4.823 1.00 0.00 C ATOM 339 CD PRO A 21 10.654 -3.538 -4.648 1.00 0.00 C ATOM 0 HA PRO A 21 8.580 -1.081 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.074 -1.492 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.819 -0.358 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.456 -2.535 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.652 -1.807 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.881 -4.287 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.823 -4.005 -3.678 1.00 0.00 H new ATOM 347 N VAL A 22 7.748 -1.389 -7.501 1.00 0.00 N ATOM 348 CA VAL A 22 7.154 -1.610 -8.816 1.00 0.00 C ATOM 349 C VAL A 22 7.311 -0.395 -9.730 1.00 0.00 C ATOM 350 O VAL A 22 7.886 0.623 -9.343 1.00 0.00 O ATOM 351 CB VAL A 22 5.658 -1.972 -8.718 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.486 -3.383 -8.181 1.00 0.00 C ATOM 353 CG2 VAL A 22 4.914 -0.967 -7.848 1.00 0.00 C ATOM 0 H VAL A 22 7.370 -0.588 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 22 7.697 -2.450 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 22 5.230 -1.932 -9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.424 -3.622 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.978 -4.089 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.932 -3.452 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.861 -1.242 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.342 -0.967 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.007 0.029 -8.282 1.00 0.00 H new ATOM 363 N GLU A 23 6.778 -0.518 -10.942 1.00 0.00 N ATOM 364 CA GLU A 23 6.882 0.529 -11.956 1.00 0.00 C ATOM 365 C GLU A 23 5.596 0.616 -12.762 1.00 0.00 C ATOM 366 O GLU A 23 4.691 -0.199 -12.591 1.00 0.00 O ATOM 367 CB GLU A 23 8.039 0.258 -12.922 1.00 0.00 C ATOM 368 CG GLU A 23 9.420 0.509 -12.348 1.00 0.00 C ATOM 369 CD GLU A 23 10.490 0.441 -13.417 1.00 0.00 C ATOM 370 OE1 GLU A 23 10.714 1.461 -14.103 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.098 -0.636 -13.592 1.00 0.00 O ATOM 0 H GLU A 23 6.263 -1.343 -11.249 1.00 0.00 H new ATOM 0 HA GLU A 23 7.063 1.467 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.982 -0.779 -13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.909 0.883 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.444 1.489 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.632 -0.228 -11.573 1.00 0.00 H new ATOM 378 N ALA A 24 5.537 1.589 -13.662 1.00 0.00 N ATOM 379 CA ALA A 24 4.379 1.761 -14.528 1.00 0.00 C ATOM 380 C ALA A 24 4.469 0.856 -15.748 1.00 0.00 C ATOM 381 O ALA A 24 3.464 0.557 -16.387 1.00 0.00 O ATOM 382 CB ALA A 24 4.265 3.207 -14.969 1.00 0.00 C ATOM 0 H ALA A 24 6.280 2.272 -13.811 1.00 0.00 H new ATOM 0 HA ALA A 24 3.490 1.486 -13.960 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.395 3.323 -15.616 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.154 3.847 -14.094 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.164 3.493 -15.515 1.00 0.00 H new ATOM 388 N SER A 25 5.678 0.429 -16.067 1.00 0.00 N ATOM 389 CA SER A 25 5.916 -0.393 -17.243 1.00 0.00 C ATOM 390 C SER A 25 5.553 -1.853 -16.974 1.00 0.00 C ATOM 391 O SER A 25 4.929 -2.519 -17.804 1.00 0.00 O ATOM 392 CB SER A 25 7.385 -0.282 -17.643 1.00 0.00 C ATOM 393 OG SER A 25 7.810 1.071 -17.614 1.00 0.00 O ATOM 0 H SER A 25 6.516 0.639 -15.525 1.00 0.00 H new ATOM 0 HA SER A 25 5.284 -0.036 -18.056 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.998 -0.876 -16.965 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.527 -0.692 -18.643 1.00 0.00 H new ATOM 0 HG SER A 25 8.754 1.123 -17.871 1.00 0.00 H new ATOM 399 N THR A 26 5.932 -2.340 -15.801 1.00 0.00 N ATOM 400 CA THR A 26 5.736 -3.740 -15.461 1.00 0.00 C ATOM 401 C THR A 26 4.459 -3.947 -14.644 1.00 0.00 C ATOM 402 O THR A 26 4.172 -5.065 -14.208 1.00 0.00 O ATOM 403 CB THR A 26 6.949 -4.296 -14.673 1.00 0.00 C ATOM 404 OG1 THR A 26 6.827 -5.714 -14.505 1.00 0.00 O ATOM 405 CG2 THR A 26 7.067 -3.630 -13.306 1.00 0.00 C ATOM 0 H THR A 26 6.377 -1.786 -15.070 1.00 0.00 H new ATOM 0 HA THR A 26 5.640 -4.285 -16.400 1.00 0.00 H new ATOM 0 HB THR A 26 7.849 -4.075 -15.248 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.879 -5.960 -14.477 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.926 -4.039 -12.775 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.198 -2.556 -13.435 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.161 -3.819 -12.730 1.00 0.00 H new ATOM 413 N VAL A 27 3.681 -2.882 -14.458 1.00 0.00 N ATOM 414 CA VAL A 27 2.476 -2.963 -13.638 1.00 0.00 C ATOM 415 C VAL A 27 1.466 -3.937 -14.251 1.00 0.00 C ATOM 416 O VAL A 27 0.850 -4.730 -13.541 1.00 0.00 O ATOM 417 CB VAL A 27 1.823 -1.569 -13.422 1.00 0.00 C ATOM 418 CG1 VAL A 27 1.327 -0.970 -14.729 1.00 0.00 C ATOM 419 CG2 VAL A 27 0.690 -1.656 -12.410 1.00 0.00 C ATOM 0 H VAL A 27 3.862 -1.962 -14.860 1.00 0.00 H new ATOM 0 HA VAL A 27 2.778 -3.339 -12.660 1.00 0.00 H new ATOM 0 HB VAL A 27 2.593 -0.906 -13.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.877 0.004 -14.535 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.165 -0.853 -15.417 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.583 -1.631 -15.173 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.247 -0.669 -12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.070 -2.348 -12.773 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.080 -2.013 -11.457 1.00 0.00 H new ATOM 429 N ASP A 28 1.341 -3.905 -15.574 1.00 0.00 N ATOM 430 CA ASP A 28 0.414 -4.781 -16.286 1.00 0.00 C ATOM 431 C ASP A 28 0.765 -6.242 -16.044 1.00 0.00 C ATOM 432 O ASP A 28 -0.107 -7.079 -15.814 1.00 0.00 O ATOM 433 CB ASP A 28 0.456 -4.494 -17.791 1.00 0.00 C ATOM 434 CG ASP A 28 0.134 -3.053 -18.126 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.032 -2.198 -17.999 1.00 0.00 O ATOM 436 OD2 ASP A 28 -1.019 -2.770 -18.525 1.00 0.00 O ATOM 0 H ASP A 28 1.873 -3.279 -16.178 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.590 -4.586 -15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.447 -4.738 -18.175 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.253 -5.147 -18.300 1.00 0.00 H new ATOM 441 N ASP A 29 2.057 -6.530 -16.073 1.00 0.00 N ATOM 442 CA ASP A 29 2.546 -7.896 -15.946 1.00 0.00 C ATOM 443 C ASP A 29 2.505 -8.360 -14.497 1.00 0.00 C ATOM 444 O ASP A 29 2.148 -9.507 -14.214 1.00 0.00 O ATOM 445 CB ASP A 29 3.974 -7.994 -16.493 1.00 0.00 C ATOM 446 CG ASP A 29 4.538 -9.399 -16.423 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.205 -10.224 -17.300 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.320 -9.687 -15.495 1.00 0.00 O ATOM 0 H ASP A 29 2.791 -5.831 -16.184 1.00 0.00 H new ATOM 0 HA ASP A 29 1.894 -8.548 -16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.985 -7.655 -17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.620 -7.320 -15.930 1.00 0.00 H new ATOM 453 N TRP A 30 2.855 -7.459 -13.591 1.00 0.00 N ATOM 454 CA TRP A 30 2.867 -7.762 -12.167 1.00 0.00 C ATOM 455 C TRP A 30 1.452 -8.062 -11.681 1.00 0.00 C ATOM 456 O TRP A 30 1.215 -9.078 -11.021 1.00 0.00 O ATOM 457 CB TRP A 30 3.463 -6.585 -11.384 1.00 0.00 C ATOM 458 CG TRP A 30 3.748 -6.889 -9.940 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.861 -7.500 -9.435 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.913 -6.585 -8.814 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.767 -7.596 -8.067 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.582 -7.044 -7.662 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.667 -5.973 -8.665 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.047 -6.907 -6.385 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.137 -5.839 -7.395 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.827 -6.305 -6.270 1.00 0.00 C ATOM 0 H TRP A 30 3.136 -6.505 -13.819 1.00 0.00 H new ATOM 0 HA TRP A 30 3.486 -8.643 -11.998 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.388 -6.272 -11.868 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.775 -5.741 -11.437 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.693 -7.856 -10.025 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.467 -8.012 -7.453 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.126 -5.611 -9.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.578 -7.264 -5.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.174 -5.367 -7.269 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.386 -6.186 -5.292 1.00 0.00 H new ATOM 477 N ILE A 31 0.512 -7.194 -12.046 1.00 0.00 N ATOM 478 CA ILE A 31 -0.871 -7.325 -11.601 1.00 0.00 C ATOM 479 C ILE A 31 -1.491 -8.641 -12.051 1.00 0.00 C ATOM 480 O ILE A 31 -2.101 -9.344 -11.251 1.00 0.00 O ATOM 481 CB ILE A 31 -1.745 -6.144 -12.089 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.302 -4.850 -11.410 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.226 -6.405 -11.823 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.351 -4.912 -9.900 1.00 0.00 C ATOM 0 H ILE A 31 0.684 -6.391 -12.650 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.843 -7.311 -10.511 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.612 -6.044 -13.166 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.285 -4.615 -11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.938 -4.033 -11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.814 -5.558 -12.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.537 -7.307 -12.349 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.386 -6.536 -10.753 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.023 -3.959 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.372 -5.116 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.693 -5.706 -9.547 1.00 0.00 H new ATOM 496 N LYS A 32 -1.321 -8.994 -13.317 1.00 0.00 N ATOM 497 CA LYS A 32 -1.956 -10.196 -13.840 1.00 0.00 C ATOM 498 C LYS A 32 -1.353 -11.458 -13.220 1.00 0.00 C ATOM 499 O LYS A 32 -2.055 -12.446 -13.008 1.00 0.00 O ATOM 500 CB LYS A 32 -1.855 -10.257 -15.367 1.00 0.00 C ATOM 501 CG LYS A 32 -0.431 -10.303 -15.893 1.00 0.00 C ATOM 502 CD LYS A 32 -0.394 -10.670 -17.353 1.00 0.00 C ATOM 503 CE LYS A 32 1.019 -10.637 -17.907 1.00 0.00 C ATOM 504 NZ LYS A 32 1.930 -11.533 -17.147 1.00 0.00 N ATOM 0 H LYS A 32 -0.759 -8.476 -13.992 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.010 -10.150 -13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.390 -11.138 -15.721 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.359 -9.387 -15.789 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.043 -9.332 -15.749 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.147 -11.028 -15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.814 -11.667 -17.488 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.022 -9.980 -17.917 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.006 -10.936 -18.955 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.400 -9.616 -17.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.907 -11.395 -17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.872 -11.308 -16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.650 -12.523 -17.299 1.00 0.00 H new ATOM 518 N ARG A 33 -0.060 -11.413 -12.915 1.00 0.00 N ATOM 519 CA ARG A 33 0.631 -12.577 -12.368 1.00 0.00 C ATOM 520 C ARG A 33 0.224 -12.822 -10.925 1.00 0.00 C ATOM 521 O ARG A 33 -0.117 -13.942 -10.546 1.00 0.00 O ATOM 522 CB ARG A 33 2.142 -12.368 -12.418 1.00 0.00 C ATOM 523 CG ARG A 33 2.938 -13.658 -12.273 1.00 0.00 C ATOM 524 CD ARG A 33 4.438 -13.404 -12.245 1.00 0.00 C ATOM 525 NE ARG A 33 4.890 -12.611 -13.389 1.00 0.00 N ATOM 526 CZ ARG A 33 5.425 -13.124 -14.496 1.00 0.00 C ATOM 527 NH1 ARG A 33 5.604 -14.433 -14.618 1.00 0.00 N ATOM 528 NH2 ARG A 33 5.788 -12.321 -15.484 1.00 0.00 N ATOM 0 H ARG A 33 0.528 -10.589 -13.036 1.00 0.00 H new ATOM 0 HA ARG A 33 0.353 -13.440 -12.973 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.404 -11.893 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.432 -11.680 -11.624 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.640 -14.167 -11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.699 -14.326 -13.101 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.699 -12.887 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.965 -14.358 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 33 4.789 -11.597 -13.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.331 -15.058 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.015 -14.814 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.658 -11.313 -15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.198 -12.710 -16.333 1.00 0.00 H new ATOM 542 N VAL A 34 0.230 -11.765 -10.128 1.00 0.00 N ATOM 543 CA VAL A 34 -0.092 -11.893 -8.709 1.00 0.00 C ATOM 544 C VAL A 34 -1.602 -11.935 -8.486 1.00 0.00 C ATOM 545 O VAL A 34 -2.089 -12.610 -7.579 1.00 0.00 O ATOM 546 CB VAL A 34 0.532 -10.758 -7.859 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.042 -10.733 -8.034 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.071 -9.402 -8.206 1.00 0.00 C ATOM 0 H VAL A 34 0.451 -10.817 -10.432 1.00 0.00 H new ATOM 0 HA VAL A 34 0.343 -12.837 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 34 0.303 -10.962 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.465 -9.930 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.461 -11.687 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.284 -10.564 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.391 -8.630 -7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.109 -9.182 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.144 -9.422 -8.018 1.00 0.00 H new ATOM 558 N GLY A 35 -2.335 -11.200 -9.312 1.00 0.00 N ATOM 559 CA GLY A 35 -3.780 -11.187 -9.236 1.00 0.00 C ATOM 560 C GLY A 35 -4.284 -10.210 -8.200 1.00 0.00 C ATOM 561 O GLY A 35 -5.111 -9.349 -8.495 1.00 0.00 O ATOM 0 H GLY A 35 -1.946 -10.605 -10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.192 -10.926 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.139 -12.188 -8.996 1.00 0.00 H new ATOM 565 N ASP A 36 -3.768 -10.339 -6.992 1.00 0.00 N ATOM 566 CA ASP A 36 -4.195 -9.507 -5.883 1.00 0.00 C ATOM 567 C ASP A 36 -2.997 -8.773 -5.290 1.00 0.00 C ATOM 568 O ASP A 36 -2.034 -9.396 -4.834 1.00 0.00 O ATOM 569 CB ASP A 36 -4.864 -10.363 -4.805 1.00 0.00 C ATOM 570 CG ASP A 36 -5.876 -11.346 -5.370 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.936 -10.910 -5.869 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.603 -12.567 -5.329 1.00 0.00 O ATOM 0 H ASP A 36 -3.046 -11.019 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.915 -8.777 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.098 -10.913 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.361 -9.710 -4.087 1.00 0.00 H new ATOM 577 N GLY A 37 -3.052 -7.452 -5.305 1.00 0.00 N ATOM 578 CA GLY A 37 -1.966 -6.652 -4.781 1.00 0.00 C ATOM 579 C GLY A 37 -2.300 -5.176 -4.785 1.00 0.00 C ATOM 580 O GLY A 37 -3.340 -4.771 -5.302 1.00 0.00 O ATOM 0 H GLY A 37 -3.837 -6.915 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.739 -6.970 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.069 -6.823 -5.376 1.00 0.00 H new ATOM 584 N VAL A 38 -1.428 -4.369 -4.208 1.00 0.00 N ATOM 585 CA VAL A 38 -1.650 -2.930 -4.150 1.00 0.00 C ATOM 586 C VAL A 38 -0.396 -2.170 -4.566 1.00 0.00 C ATOM 587 O VAL A 38 0.718 -2.578 -4.239 1.00 0.00 O ATOM 588 CB VAL A 38 -2.081 -2.467 -2.737 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.472 -2.985 -2.396 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.078 -2.926 -1.686 1.00 0.00 C ATOM 0 H VAL A 38 -0.560 -4.682 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.459 -2.710 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.108 -1.377 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.752 -2.646 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.190 -2.605 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.471 -4.075 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.402 -2.589 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.015 -4.014 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.098 -2.504 -1.909 1.00 0.00 H new ATOM 600 N ILE A 39 -0.587 -1.082 -5.302 1.00 0.00 N ATOM 601 CA ILE A 39 0.519 -0.217 -5.694 1.00 0.00 C ATOM 602 C ILE A 39 0.452 1.086 -4.908 1.00 0.00 C ATOM 603 O ILE A 39 -0.504 1.857 -5.038 1.00 0.00 O ATOM 604 CB ILE A 39 0.531 0.099 -7.219 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.020 -1.104 -8.042 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.405 1.313 -7.513 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.046 -2.259 -8.100 1.00 0.00 C ATOM 0 H ILE A 39 -1.500 -0.777 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 39 1.440 -0.755 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.496 0.319 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.231 -0.772 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.961 -1.459 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.399 1.515 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.016 2.179 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.426 1.114 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.471 -3.064 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.148 -2.623 -7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.888 -1.925 -8.551 1.00 0.00 H new ATOM 619 N LEU A 40 1.451 1.302 -4.070 1.00 0.00 N ATOM 620 CA LEU A 40 1.554 2.520 -3.283 1.00 0.00 C ATOM 621 C LEU A 40 2.472 3.509 -3.994 1.00 0.00 C ATOM 622 O LEU A 40 3.645 3.220 -4.230 1.00 0.00 O ATOM 623 CB LEU A 40 2.119 2.193 -1.892 1.00 0.00 C ATOM 624 CG LEU A 40 1.661 3.089 -0.730 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.428 2.737 0.534 1.00 0.00 C ATOM 626 CD2 LEU A 40 1.831 4.564 -1.048 1.00 0.00 C ATOM 0 H LEU A 40 2.212 0.641 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 40 0.564 2.963 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.855 1.163 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.207 2.238 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 40 0.598 2.907 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.096 3.377 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.244 1.694 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.495 2.887 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.495 5.160 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.882 4.775 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.238 4.817 -1.927 1.00 0.00 H new ATOM 638 N LEU A 41 1.932 4.662 -4.352 1.00 0.00 N ATOM 639 CA LEU A 41 2.734 5.720 -4.947 1.00 0.00 C ATOM 640 C LEU A 41 3.483 6.469 -3.848 1.00 0.00 C ATOM 641 O LEU A 41 2.861 7.042 -2.956 1.00 0.00 O ATOM 642 CB LEU A 41 1.856 6.687 -5.757 1.00 0.00 C ATOM 643 CG LEU A 41 1.418 6.194 -7.148 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.506 4.978 -7.053 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.725 7.315 -7.906 1.00 0.00 C ATOM 0 H LEU A 41 0.944 4.890 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 41 3.454 5.273 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.962 6.910 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.399 7.624 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 41 2.313 5.893 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.218 4.660 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.033 4.166 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.387 5.237 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.419 6.955 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.154 7.641 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.412 8.153 -8.024 1.00 0.00 H new ATOM 657 N SER A 42 4.816 6.442 -3.923 1.00 0.00 N ATOM 658 CA SER A 42 5.685 7.030 -2.900 1.00 0.00 C ATOM 659 C SER A 42 5.619 6.232 -1.596 1.00 0.00 C ATOM 660 O SER A 42 5.045 5.144 -1.549 1.00 0.00 O ATOM 661 CB SER A 42 5.329 8.503 -2.655 1.00 0.00 C ATOM 662 OG SER A 42 5.483 9.264 -3.841 1.00 0.00 O ATOM 0 H SER A 42 5.324 6.011 -4.696 1.00 0.00 H new ATOM 0 HA SER A 42 6.709 6.987 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.301 8.579 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.968 8.910 -1.871 1.00 0.00 H new ATOM 0 HG SER A 42 5.637 8.662 -4.599 1.00 0.00 H new ATOM 863 N VAL A 56 1.034 4.097 7.626 1.00 0.00 N ATOM 864 CA VAL A 56 0.071 3.677 8.650 1.00 0.00 C ATOM 865 C VAL A 56 -0.826 2.527 8.180 1.00 0.00 C ATOM 866 O VAL A 56 -0.642 1.377 8.584 1.00 0.00 O ATOM 867 CB VAL A 56 -0.811 4.856 9.132 1.00 0.00 C ATOM 868 CG1 VAL A 56 -1.807 4.392 10.184 1.00 0.00 C ATOM 869 CG2 VAL A 56 0.046 5.983 9.689 1.00 0.00 C ATOM 0 HA VAL A 56 0.672 3.319 9.486 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.363 5.232 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.415 5.237 10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.452 3.622 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.269 3.984 11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.596 6.799 10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.629 5.614 10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.720 6.345 8.913 1.00 0.00 H new ATOM 879 N MET A 57 -1.778 2.841 7.309 1.00 0.00 N ATOM 880 CA MET A 57 -2.830 1.902 6.938 1.00 0.00 C ATOM 881 C MET A 57 -2.284 0.670 6.228 1.00 0.00 C ATOM 882 O MET A 57 -2.690 -0.445 6.536 1.00 0.00 O ATOM 883 CB MET A 57 -3.872 2.597 6.064 1.00 0.00 C ATOM 884 CG MET A 57 -5.037 1.704 5.671 1.00 0.00 C ATOM 885 SD MET A 57 -6.314 2.595 4.762 1.00 0.00 S ATOM 886 CE MET A 57 -6.780 3.849 5.954 1.00 0.00 C ATOM 0 H MET A 57 -1.843 3.746 6.843 1.00 0.00 H new ATOM 0 HA MET A 57 -3.298 1.560 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.257 3.467 6.596 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.387 2.965 5.160 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.669 0.880 5.060 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.473 1.265 6.568 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.859 3.998 5.922 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.487 3.528 6.954 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.277 4.785 5.712 1.00 0.00 H new ATOM 896 N ILE A 58 -1.360 0.865 5.292 1.00 0.00 N ATOM 897 CA ILE A 58 -0.813 -0.252 4.514 1.00 0.00 C ATOM 898 C ILE A 58 -0.219 -1.328 5.425 1.00 0.00 C ATOM 899 O ILE A 58 -0.535 -2.510 5.289 1.00 0.00 O ATOM 900 CB ILE A 58 0.264 0.203 3.499 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.356 1.082 2.408 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.966 -0.992 2.867 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.312 2.566 2.706 1.00 0.00 C ATOM 0 H ILE A 58 -0.974 1.778 5.052 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.653 -0.668 3.958 1.00 0.00 H new ATOM 0 HB ILE A 58 1.005 0.787 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.164 0.896 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.394 0.783 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.716 -0.640 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.450 -1.583 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.235 -1.609 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.771 3.116 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.858 2.768 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.724 2.883 2.821 1.00 0.00 H new ATOM 915 N ALA A 59 0.623 -0.907 6.360 1.00 0.00 N ATOM 916 CA ALA A 59 1.291 -1.833 7.269 1.00 0.00 C ATOM 917 C ALA A 59 0.286 -2.546 8.168 1.00 0.00 C ATOM 918 O ALA A 59 0.378 -3.754 8.383 1.00 0.00 O ATOM 919 CB ALA A 59 2.317 -1.095 8.114 1.00 0.00 C ATOM 0 H ALA A 59 0.861 0.073 6.510 1.00 0.00 H new ATOM 0 HA ALA A 59 1.800 -2.585 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.807 -1.798 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.062 -0.636 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.819 -0.321 8.698 1.00 0.00 H new ATOM 925 N GLU A 60 -0.676 -1.788 8.675 1.00 0.00 N ATOM 926 CA GLU A 60 -1.680 -2.318 9.586 1.00 0.00 C ATOM 927 C GLU A 60 -2.625 -3.280 8.858 1.00 0.00 C ATOM 928 O GLU A 60 -2.947 -4.353 9.363 1.00 0.00 O ATOM 929 CB GLU A 60 -2.461 -1.154 10.207 1.00 0.00 C ATOM 930 CG GLU A 60 -3.473 -1.567 11.266 1.00 0.00 C ATOM 931 CD GLU A 60 -2.843 -2.244 12.463 1.00 0.00 C ATOM 932 OE1 GLU A 60 -2.174 -1.556 13.263 1.00 0.00 O ATOM 933 OE2 GLU A 60 -3.023 -3.466 12.619 1.00 0.00 O ATOM 0 H GLU A 60 -0.782 -0.795 8.468 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.184 -2.881 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.753 -0.455 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.982 -0.618 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.018 -0.685 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.203 -2.241 10.818 1.00 0.00 H new ATOM 940 N LEU A 61 -3.041 -2.893 7.657 1.00 0.00 N ATOM 941 CA LEU A 61 -3.989 -3.676 6.867 1.00 0.00 C ATOM 942 C LEU A 61 -3.399 -5.022 6.484 1.00 0.00 C ATOM 943 O LEU A 61 -4.086 -6.046 6.505 1.00 0.00 O ATOM 944 CB LEU A 61 -4.350 -2.910 5.602 1.00 0.00 C ATOM 945 CG LEU A 61 -5.606 -3.392 4.883 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.809 -3.333 5.813 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.855 -2.561 3.634 1.00 0.00 C ATOM 0 H LEU A 61 -2.733 -2.032 7.204 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.880 -3.846 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.479 -1.858 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.510 -2.968 4.910 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.455 -4.429 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.696 -3.680 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.631 -3.970 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.963 -2.306 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.755 -2.918 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.985 -1.515 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.003 -2.653 2.960 1.00 0.00 H new ATOM 959 N LEU A 62 -2.123 -4.994 6.126 1.00 0.00 N ATOM 960 CA LEU A 62 -1.379 -6.194 5.732 1.00 0.00 C ATOM 961 C LEU A 62 -1.574 -7.335 6.728 1.00 0.00 C ATOM 962 O LEU A 62 -1.709 -8.494 6.343 1.00 0.00 O ATOM 963 CB LEU A 62 0.113 -5.863 5.615 1.00 0.00 C ATOM 964 CG LEU A 62 1.029 -7.044 5.278 1.00 0.00 C ATOM 965 CD1 LEU A 62 0.678 -7.629 3.917 1.00 0.00 C ATOM 966 CD2 LEU A 62 2.488 -6.611 5.312 1.00 0.00 C ATOM 0 H LEU A 62 -1.568 -4.139 6.099 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.765 -6.522 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.238 -5.099 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.445 -5.426 6.557 1.00 0.00 H new ATOM 0 HG LEU A 62 0.879 -7.818 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.341 -8.466 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.355 -7.977 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.796 -6.863 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.126 -7.461 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.649 -5.818 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.735 -6.243 6.308 1.00 0.00 H new ATOM 978 N ARG A 63 -1.608 -6.995 8.005 1.00 0.00 N ATOM 979 CA ARG A 63 -1.705 -7.997 9.058 1.00 0.00 C ATOM 980 C ARG A 63 -3.098 -8.021 9.685 1.00 0.00 C ATOM 981 O ARG A 63 -3.277 -8.527 10.793 1.00 0.00 O ATOM 982 CB ARG A 63 -0.617 -7.745 10.118 1.00 0.00 C ATOM 983 CG ARG A 63 -0.511 -6.294 10.584 1.00 0.00 C ATOM 984 CD ARG A 63 -1.474 -5.976 11.717 1.00 0.00 C ATOM 985 NE ARG A 63 -1.066 -6.599 12.976 1.00 0.00 N ATOM 986 CZ ARG A 63 -0.861 -5.922 14.108 1.00 0.00 C ATOM 987 NH1 ARG A 63 -1.091 -4.616 14.157 1.00 0.00 N ATOM 988 NH2 ARG A 63 -0.456 -6.556 15.201 1.00 0.00 N ATOM 0 H ARG A 63 -1.570 -6.032 8.340 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.542 -8.980 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.817 -8.378 10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.346 -8.054 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.509 -6.094 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.712 -5.630 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.533 -4.896 11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.473 -6.319 11.450 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.930 -7.610 12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.426 -4.126 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.933 -4.103 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.300 -7.564 15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.300 -6.036 16.064 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.087 -7.502 8.964 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.450 -7.455 9.478 1.00 0.00 C ATOM 1004 C GLU A 64 -6.454 -8.052 8.479 1.00 0.00 C ATOM 1005 O GLU A 64 -7.560 -8.432 8.864 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.830 -6.009 9.812 1.00 0.00 C ATOM 1007 CG GLU A 64 -7.107 -5.873 10.629 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.988 -6.480 12.014 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.455 -5.808 12.918 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -7.439 -7.630 12.214 1.00 0.00 O ATOM 0 H GLU A 64 -3.971 -7.111 8.029 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.489 -8.059 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.010 -5.547 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.945 -5.451 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.363 -4.817 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.927 -6.355 10.096 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.068 -8.139 7.205 1.00 0.00 N ATOM 1018 CA PHE A 65 -6.976 -8.628 6.166 1.00 0.00 C ATOM 1019 C PHE A 65 -7.199 -10.137 6.281 1.00 0.00 C ATOM 1020 O PHE A 65 -6.285 -10.928 6.052 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.435 -8.290 4.771 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.433 -7.574 3.913 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -7.586 -6.203 4.011 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.218 -8.269 3.011 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.508 -5.538 3.227 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.144 -7.611 2.224 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.287 -6.242 2.331 1.00 0.00 C ATOM 0 H PHE A 65 -5.140 -7.880 6.869 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.934 -8.128 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.543 -7.672 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.130 -9.210 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.978 -5.646 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.106 -9.339 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.620 -4.467 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.754 -8.166 1.527 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.007 -5.723 1.715 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.428 -10.554 6.633 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.786 -11.958 6.788 1.00 0.00 C ATOM 1039 C PRO A 66 -9.446 -12.545 5.537 1.00 0.00 C ATOM 1040 O PRO A 66 -10.034 -13.630 5.575 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.785 -11.897 7.940 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.465 -10.568 7.799 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.574 -9.687 6.948 1.00 0.00 C ATOM 0 HA PRO A 66 -7.920 -12.597 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.503 -12.715 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.282 -11.982 8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.444 -10.686 7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.629 -10.116 8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.085 -9.354 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.263 -8.792 7.487 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.352 -11.824 4.430 1.00 0.00 N ATOM 1052 CA GLN A 67 -9.978 -12.255 3.186 1.00 0.00 C ATOM 1053 C GLN A 67 -9.012 -13.070 2.338 1.00 0.00 C ATOM 1054 O GLN A 67 -9.278 -14.229 2.018 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.474 -11.045 2.390 1.00 0.00 C ATOM 1056 CG GLN A 67 -11.979 -10.835 2.465 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.762 -11.888 1.699 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.338 -13.036 1.575 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -13.907 -11.500 1.170 1.00 0.00 N ATOM 0 H GLN A 67 -8.849 -10.939 4.366 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.828 -12.887 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.973 -10.150 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.185 -11.166 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.291 -10.846 3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.223 -9.849 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.226 -10.539 1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.473 -12.161 0.637 1.00 0.00 H new ATOM 1068 N PHE A 68 -7.890 -12.463 1.988 1.00 0.00 N ATOM 1069 CA PHE A 68 -6.928 -13.090 1.096 1.00 0.00 C ATOM 1070 C PHE A 68 -5.533 -12.522 1.314 1.00 0.00 C ATOM 1071 O PHE A 68 -5.364 -11.518 2.006 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.349 -12.901 -0.367 1.00 0.00 C ATOM 1073 CG PHE A 68 -7.943 -11.549 -0.671 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.252 -10.373 -0.396 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.200 -11.460 -1.249 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -7.809 -9.143 -0.688 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.759 -10.232 -1.541 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.064 -9.073 -1.259 1.00 0.00 C ATOM 0 H PHE A 68 -7.622 -11.533 2.309 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.906 -14.156 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.480 -13.055 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.076 -13.671 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.270 -10.422 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.749 -12.363 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.263 -8.237 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.740 -10.178 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.502 -8.112 -1.485 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.546 -13.167 0.716 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.172 -12.702 0.799 1.00 0.00 C ATOM 1090 C ASP A 69 -2.819 -11.941 -0.465 1.00 0.00 C ATOM 1091 O ASP A 69 -2.870 -12.495 -1.565 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.198 -13.871 0.969 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.495 -14.722 2.183 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.955 -14.433 3.268 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -3.255 -15.706 2.047 1.00 0.00 O ATOM 0 H ASP A 69 -4.671 -14.017 0.166 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.086 -12.052 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.233 -14.497 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.183 -13.481 1.046 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.479 -10.675 -0.315 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.080 -9.865 -1.448 1.00 0.00 C ATOM 1102 C TRP A 70 -0.664 -9.341 -1.262 1.00 0.00 C ATOM 1103 O TRP A 70 -0.163 -9.254 -0.139 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.069 -8.714 -1.690 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.419 -7.893 -0.477 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -2.827 -7.909 0.756 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.466 -6.920 -0.401 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -3.449 -7.014 1.592 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.457 -6.392 0.904 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.412 -6.449 -1.312 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.357 -5.416 1.318 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.305 -5.478 -0.899 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.272 -4.970 0.406 1.00 0.00 C ATOM 0 H TRP A 70 -2.471 -10.186 0.580 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.094 -10.499 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.650 -8.051 -2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.988 -9.129 -2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.991 -8.535 1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.201 -6.841 2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.446 -6.835 -2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.334 -5.024 2.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.041 -5.104 -1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.983 -4.211 0.697 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.019 -9.006 -2.365 1.00 0.00 N ATOM 1125 CA GLN A 71 1.355 -8.531 -2.328 1.00 0.00 C ATOM 1126 C GLN A 71 1.391 -7.012 -2.220 1.00 0.00 C ATOM 1127 O GLN A 71 0.730 -6.308 -2.987 1.00 0.00 O ATOM 1128 CB GLN A 71 2.131 -8.989 -3.571 1.00 0.00 C ATOM 1129 CG GLN A 71 2.467 -10.476 -3.590 1.00 0.00 C ATOM 1130 CD GLN A 71 1.266 -11.376 -3.841 1.00 0.00 C ATOM 1131 OE1 GLN A 71 1.201 -12.502 -3.347 1.00 0.00 O ATOM 1132 NE2 GLN A 71 0.316 -10.898 -4.630 1.00 0.00 N ATOM 0 H GLN A 71 -0.424 -9.054 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 71 1.834 -8.960 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.546 -8.750 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.057 -8.419 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.214 -10.660 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.920 -10.748 -2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.403 -9.960 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.502 -11.467 -4.846 1.00 0.00 H new ATOM 1141 N VAL A 72 2.154 -6.519 -1.255 1.00 0.00 N ATOM 1142 CA VAL A 72 2.298 -5.088 -1.041 1.00 0.00 C ATOM 1143 C VAL A 72 3.447 -4.544 -1.877 1.00 0.00 C ATOM 1144 O VAL A 72 4.604 -4.926 -1.688 1.00 0.00 O ATOM 1145 CB VAL A 72 2.549 -4.760 0.447 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.746 -3.266 0.646 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.401 -5.267 1.306 1.00 0.00 C ATOM 0 H VAL A 72 2.687 -7.095 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 72 1.364 -4.616 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 72 3.463 -5.267 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.921 -3.060 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.604 -2.931 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.854 -2.734 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.595 -5.027 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.473 -4.791 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.311 -6.347 1.192 1.00 0.00 H new ATOM 1157 N ALA A 73 3.123 -3.662 -2.807 1.00 0.00 N ATOM 1158 CA ALA A 73 4.124 -3.068 -3.671 1.00 0.00 C ATOM 1159 C ALA A 73 4.082 -1.551 -3.568 1.00 0.00 C ATOM 1160 O ALA A 73 3.011 -0.945 -3.606 1.00 0.00 O ATOM 1161 CB ALA A 73 3.905 -3.510 -5.108 1.00 0.00 C ATOM 0 H ALA A 73 2.171 -3.342 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 73 5.109 -3.407 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.663 -3.057 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.979 -4.596 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.916 -3.194 -5.439 1.00 0.00 H new ATOM 1167 N VAL A 74 5.247 -0.942 -3.430 1.00 0.00 N ATOM 1168 CA VAL A 74 5.348 0.502 -3.288 1.00 0.00 C ATOM 1169 C VAL A 74 6.372 1.034 -4.287 1.00 0.00 C ATOM 1170 O VAL A 74 7.237 0.288 -4.749 1.00 0.00 O ATOM 1171 CB VAL A 74 5.725 0.903 -1.837 1.00 0.00 C ATOM 1172 CG1 VAL A 74 4.788 0.237 -0.844 1.00 0.00 C ATOM 1173 CG2 VAL A 74 7.174 0.551 -1.526 1.00 0.00 C ATOM 0 H VAL A 74 6.143 -1.429 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 74 4.375 0.946 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 74 5.618 1.984 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.065 0.528 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.763 0.550 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.862 -0.846 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.408 0.844 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.320 -0.523 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.833 1.080 -2.215 1.00 0.00 H new ATOM 1183 N ALA A 75 6.264 2.302 -4.643 1.00 0.00 N ATOM 1184 CA ALA A 75 7.102 2.855 -5.693 1.00 0.00 C ATOM 1185 C ALA A 75 7.956 4.017 -5.203 1.00 0.00 C ATOM 1186 O ALA A 75 7.602 4.704 -4.246 1.00 0.00 O ATOM 1187 CB ALA A 75 6.234 3.299 -6.858 1.00 0.00 C ATOM 0 H ALA A 75 5.610 2.964 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 75 7.786 2.070 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.865 3.714 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.683 2.443 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.531 4.059 -6.519 1.00 0.00 H new ATOM 1193 N ASP A 76 9.085 4.222 -5.873 1.00 0.00 N ATOM 1194 CA ASP A 76 9.958 5.362 -5.606 1.00 0.00 C ATOM 1195 C ASP A 76 9.248 6.659 -5.988 1.00 0.00 C ATOM 1196 O ASP A 76 8.262 6.633 -6.728 1.00 0.00 O ATOM 1197 CB ASP A 76 11.261 5.209 -6.405 1.00 0.00 C ATOM 1198 CG ASP A 76 12.237 6.356 -6.205 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.049 6.296 -5.260 1.00 0.00 O ATOM 1200 OD2 ASP A 76 12.206 7.315 -7.005 1.00 0.00 O ATOM 0 H ASP A 76 9.421 3.606 -6.614 1.00 0.00 H new ATOM 0 HA ASP A 76 10.197 5.396 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.746 4.276 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.020 5.129 -7.465 1.00 0.00 H new ATOM 1205 N LEU A 77 9.745 7.786 -5.489 1.00 0.00 N ATOM 1206 CA LEU A 77 9.149 9.089 -5.776 1.00 0.00 C ATOM 1207 C LEU A 77 9.081 9.326 -7.288 1.00 0.00 C ATOM 1208 O LEU A 77 8.082 9.826 -7.807 1.00 0.00 O ATOM 1209 CB LEU A 77 9.956 10.199 -5.078 1.00 0.00 C ATOM 1210 CG LEU A 77 9.300 11.587 -5.024 1.00 0.00 C ATOM 1211 CD1 LEU A 77 9.874 12.394 -3.869 1.00 0.00 C ATOM 1212 CD2 LEU A 77 9.506 12.347 -6.328 1.00 0.00 C ATOM 0 H LEU A 77 10.563 7.824 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 77 8.130 9.107 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.165 9.879 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.916 10.294 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 77 8.230 11.444 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.401 13.376 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.684 11.873 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.949 12.512 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.030 13.325 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.573 12.475 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.062 11.786 -7.150 1.00 0.00 H new ATOM 1224 N GLU A 78 10.134 8.928 -7.992 1.00 0.00 N ATOM 1225 CA GLU A 78 10.191 9.087 -9.438 1.00 0.00 C ATOM 1226 C GLU A 78 9.176 8.155 -10.102 1.00 0.00 C ATOM 1227 O GLU A 78 8.430 8.566 -10.996 1.00 0.00 O ATOM 1228 CB GLU A 78 11.620 8.818 -9.926 1.00 0.00 C ATOM 1229 CG GLU A 78 11.845 9.095 -11.405 1.00 0.00 C ATOM 1230 CD GLU A 78 11.669 7.865 -12.266 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.554 6.981 -12.227 1.00 0.00 O ATOM 1232 OE2 GLU A 78 10.650 7.767 -12.975 1.00 0.00 O ATOM 0 H GLU A 78 10.961 8.492 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 78 9.929 10.109 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.310 9.431 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.870 7.777 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.149 9.866 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.851 9.491 -11.547 1.00 0.00 H new ATOM 1239 N GLN A 79 9.119 6.917 -9.618 1.00 0.00 N ATOM 1240 CA GLN A 79 8.168 5.929 -10.127 1.00 0.00 C ATOM 1241 C GLN A 79 6.732 6.366 -9.878 1.00 0.00 C ATOM 1242 O GLN A 79 5.841 6.028 -10.646 1.00 0.00 O ATOM 1243 CB GLN A 79 8.402 4.556 -9.489 1.00 0.00 C ATOM 1244 CG GLN A 79 9.348 3.659 -10.272 1.00 0.00 C ATOM 1245 CD GLN A 79 10.698 4.291 -10.518 1.00 0.00 C ATOM 1246 OE1 GLN A 79 11.616 4.161 -9.710 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.828 4.968 -11.642 1.00 0.00 N ATOM 0 H GLN A 79 9.722 6.572 -8.871 1.00 0.00 H new ATOM 0 HA GLN A 79 8.331 5.852 -11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.801 4.698 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.443 4.049 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.485 2.724 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.891 3.408 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.038 5.049 -12.283 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.718 5.410 -11.871 1.00 0.00 H new ATOM 1256 N SER A 80 6.517 7.116 -8.805 1.00 0.00 N ATOM 1257 CA SER A 80 5.186 7.599 -8.459 1.00 0.00 C ATOM 1258 C SER A 80 4.559 8.379 -9.615 1.00 0.00 C ATOM 1259 O SER A 80 3.416 8.123 -9.999 1.00 0.00 O ATOM 1260 CB SER A 80 5.261 8.478 -7.214 1.00 0.00 C ATOM 1261 OG SER A 80 5.884 7.786 -6.145 1.00 0.00 O ATOM 0 H SER A 80 7.250 7.404 -8.157 1.00 0.00 H new ATOM 0 HA SER A 80 4.554 6.735 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.819 9.387 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.257 8.784 -6.919 1.00 0.00 H new ATOM 0 HG SER A 80 6.798 7.542 -6.401 1.00 0.00 H new ATOM 1267 N GLU A 81 5.317 9.309 -10.186 1.00 0.00 N ATOM 1268 CA GLU A 81 4.812 10.110 -11.291 1.00 0.00 C ATOM 1269 C GLU A 81 4.713 9.264 -12.557 1.00 0.00 C ATOM 1270 O GLU A 81 3.808 9.452 -13.370 1.00 0.00 O ATOM 1271 CB GLU A 81 5.693 11.341 -11.529 1.00 0.00 C ATOM 1272 CG GLU A 81 5.130 12.279 -12.587 1.00 0.00 C ATOM 1273 CD GLU A 81 5.862 13.601 -12.651 1.00 0.00 C ATOM 1274 OE1 GLU A 81 5.539 14.497 -11.845 1.00 0.00 O ATOM 1275 OE2 GLU A 81 6.747 13.758 -13.519 1.00 0.00 O ATOM 0 H GLU A 81 6.273 9.524 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 81 3.814 10.461 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.807 11.886 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.688 11.016 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.182 11.793 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.076 12.463 -12.379 1.00 0.00 H new ATOM 1282 N ALA A 82 5.635 8.319 -12.706 1.00 0.00 N ATOM 1283 CA ALA A 82 5.617 7.408 -13.845 1.00 0.00 C ATOM 1284 C ALA A 82 4.356 6.545 -13.822 1.00 0.00 C ATOM 1285 O ALA A 82 3.690 6.369 -14.846 1.00 0.00 O ATOM 1286 CB ALA A 82 6.866 6.537 -13.847 1.00 0.00 C ATOM 0 H ALA A 82 6.403 8.164 -12.053 1.00 0.00 H new ATOM 0 HA ALA A 82 5.608 7.998 -14.761 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.838 5.863 -14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.751 7.170 -13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.905 5.954 -12.927 1.00 0.00 H new ATOM 1292 N ILE A 83 4.026 6.021 -12.644 1.00 0.00 N ATOM 1293 CA ILE A 83 2.825 5.215 -12.467 1.00 0.00 C ATOM 1294 C ILE A 83 1.581 6.080 -12.628 1.00 0.00 C ATOM 1295 O ILE A 83 0.605 5.668 -13.257 1.00 0.00 O ATOM 1296 CB ILE A 83 2.805 4.510 -11.088 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.002 3.565 -10.965 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.503 3.742 -10.889 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.079 2.843 -9.638 1.00 0.00 C ATOM 0 H ILE A 83 4.578 6.142 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 83 2.831 4.443 -13.236 1.00 0.00 H new ATOM 0 HB ILE A 83 2.872 5.272 -10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.954 2.828 -11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.919 4.135 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.513 3.256 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.661 4.433 -10.942 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.403 2.988 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.954 2.193 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.159 3.572 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.179 2.244 -9.497 1.00 0.00 H new ATOM 1311 N GLY A 84 1.631 7.288 -12.080 1.00 0.00 N ATOM 1312 CA GLY A 84 0.542 8.227 -12.254 1.00 0.00 C ATOM 1313 C GLY A 84 0.313 8.553 -13.716 1.00 0.00 C ATOM 1314 O GLY A 84 -0.824 8.655 -14.168 1.00 0.00 O ATOM 0 H GLY A 84 2.408 7.634 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.370 7.810 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.761 9.144 -11.706 1.00 0.00 H new ATOM 1318 N ASP A 85 1.407 8.691 -14.451 1.00 0.00 N ATOM 1319 CA ASP A 85 1.370 8.954 -15.886 1.00 0.00 C ATOM 1320 C ASP A 85 0.661 7.834 -16.635 1.00 0.00 C ATOM 1321 O ASP A 85 -0.091 8.076 -17.581 1.00 0.00 O ATOM 1322 CB ASP A 85 2.797 9.088 -16.410 1.00 0.00 C ATOM 1323 CG ASP A 85 2.875 9.200 -17.918 1.00 0.00 C ATOM 1324 OD1 ASP A 85 2.420 10.218 -18.475 1.00 0.00 O ATOM 1325 OD2 ASP A 85 3.403 8.263 -18.551 1.00 0.00 O ATOM 0 H ASP A 85 2.350 8.624 -14.069 1.00 0.00 H new ATOM 0 HA ASP A 85 0.817 9.879 -16.051 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.259 9.968 -15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.378 8.224 -16.087 1.00 0.00 H new ATOM 1330 N ARG A 86 0.925 6.611 -16.195 1.00 0.00 N ATOM 1331 CA ARG A 86 0.328 5.408 -16.778 1.00 0.00 C ATOM 1332 C ARG A 86 -1.192 5.535 -16.897 1.00 0.00 C ATOM 1333 O ARG A 86 -1.770 5.218 -17.937 1.00 0.00 O ATOM 1334 CB ARG A 86 0.687 4.190 -15.922 1.00 0.00 C ATOM 1335 CG ARG A 86 0.088 2.879 -16.414 1.00 0.00 C ATOM 1336 CD ARG A 86 0.582 2.503 -17.803 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.527 2.377 -18.749 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.089 1.217 -19.096 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -0.623 0.074 -18.605 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -2.114 1.206 -19.937 1.00 0.00 N ATOM 0 H ARG A 86 1.561 6.420 -15.421 1.00 0.00 H new ATOM 0 HA ARG A 86 0.730 5.283 -17.784 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.772 4.091 -15.890 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.353 4.368 -14.900 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.339 2.082 -15.714 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.999 2.961 -16.427 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.281 3.259 -18.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.129 1.561 -17.754 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.894 3.230 -19.170 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.167 0.080 -17.960 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.055 -0.810 -18.873 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.471 2.083 -20.317 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.545 0.321 -20.204 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.834 5.998 -15.834 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.286 6.160 -15.845 1.00 0.00 C ATOM 1356 C PHE A 87 -3.697 7.635 -15.850 1.00 0.00 C ATOM 1357 O PHE A 87 -4.859 7.958 -15.605 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.943 5.409 -14.674 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.241 5.548 -13.352 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.352 6.707 -12.604 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.486 4.502 -12.849 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.724 6.820 -11.378 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.852 4.611 -11.628 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.970 5.773 -10.891 1.00 0.00 C ATOM 0 H PHE A 87 -1.381 6.266 -14.960 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.648 5.718 -16.773 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.967 5.766 -14.563 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.000 4.351 -14.928 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.936 7.533 -12.983 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.392 3.590 -13.419 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.824 7.728 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.264 3.788 -11.249 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.473 5.861 -9.936 1.00 0.00 H new ATOM 1374 N ASN A 88 -2.737 8.516 -16.133 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.003 9.948 -16.340 1.00 0.00 C ATOM 1376 C ASN A 88 -3.559 10.608 -15.069 1.00 0.00 C ATOM 1377 O ASN A 88 -4.321 11.572 -15.135 1.00 0.00 O ATOM 1378 CB ASN A 88 -3.977 10.130 -17.518 1.00 0.00 C ATOM 1379 CG ASN A 88 -3.890 11.506 -18.164 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.116 11.717 -19.100 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -4.684 12.449 -17.677 1.00 0.00 N ATOM 0 H ASN A 88 -1.753 8.262 -16.226 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.060 10.441 -16.575 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.772 9.369 -18.271 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.996 9.965 -17.167 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.667 13.387 -18.078 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.312 12.237 -16.901 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.159 10.104 -13.909 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.620 10.658 -12.641 1.00 0.00 C ATOM 1390 C VAL A 89 -2.457 10.827 -11.669 1.00 0.00 C ATOM 1391 O VAL A 89 -1.834 9.852 -11.261 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.706 9.772 -11.981 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -5.108 10.327 -10.623 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.927 9.646 -12.883 1.00 0.00 C ATOM 0 H VAL A 89 -2.519 9.315 -13.819 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.057 11.631 -12.865 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.282 8.779 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.871 9.687 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.236 10.357 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.505 11.335 -10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.675 9.019 -12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.347 10.635 -13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.634 9.193 -13.830 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.167 12.067 -11.308 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.114 12.355 -10.344 1.00 0.00 C ATOM 1406 C ARG A 90 -1.724 13.027 -9.113 1.00 0.00 C ATOM 1407 O ARG A 90 -1.083 13.830 -8.434 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.043 13.256 -10.976 1.00 0.00 C ATOM 1409 CG ARG A 90 1.278 13.264 -10.216 1.00 0.00 C ATOM 1410 CD ARG A 90 2.274 14.239 -10.825 1.00 0.00 C ATOM 1411 NE ARG A 90 1.845 15.628 -10.673 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.651 16.681 -10.834 1.00 0.00 C ATOM 1413 NH1 ARG A 90 3.925 16.513 -11.168 1.00 0.00 N ATOM 1414 NH2 ARG A 90 2.174 17.905 -10.656 1.00 0.00 N ATOM 0 H ARG A 90 -2.646 12.892 -11.668 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.636 11.423 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.139 12.926 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.426 14.275 -11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.097 13.532 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.704 12.261 -10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.247 14.106 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.401 14.013 -11.884 1.00 0.00 H new ATOM 0 HE ARG A 90 0.870 15.804 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.297 15.573 -11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.532 17.324 -11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.196 18.039 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.785 18.713 -10.777 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.977 12.686 -8.835 1.00 0.00 N ATOM 1429 CA ARG A 91 -3.704 13.274 -7.717 1.00 0.00 C ATOM 1430 C ARG A 91 -3.315 12.607 -6.403 1.00 0.00 C ATOM 1431 O ARG A 91 -3.922 11.608 -6.012 1.00 0.00 O ATOM 1432 CB ARG A 91 -5.216 13.143 -7.922 1.00 0.00 C ATOM 1433 CG ARG A 91 -5.744 13.873 -9.144 1.00 0.00 C ATOM 1434 CD ARG A 91 -7.235 13.634 -9.331 1.00 0.00 C ATOM 1435 NE ARG A 91 -8.022 14.122 -8.195 1.00 0.00 N ATOM 1436 CZ ARG A 91 -9.114 13.517 -7.721 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -9.532 12.371 -8.245 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -9.777 14.058 -6.705 1.00 0.00 N ATOM 0 H ARG A 91 -3.512 12.003 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.438 14.330 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.470 12.086 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.726 13.524 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.555 14.942 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.206 13.538 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.569 14.131 -10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.416 12.567 -9.465 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.716 14.980 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.018 11.945 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.367 11.916 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.451 14.931 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.612 13.600 -6.339 1.00 0.00 H new ATOM 1452 N PHE A 92 -2.285 13.155 -5.752 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.830 12.689 -4.436 1.00 0.00 C ATOM 1454 C PHE A 92 -1.140 11.325 -4.515 1.00 0.00 C ATOM 1455 O PHE A 92 -1.362 10.549 -5.445 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.993 12.619 -3.434 1.00 0.00 C ATOM 1457 CG PHE A 92 -3.597 13.952 -3.094 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -3.057 14.734 -2.085 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -4.714 14.415 -3.770 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -3.619 15.954 -1.760 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -5.278 15.634 -3.451 1.00 0.00 C ATOM 1462 CZ PHE A 92 -4.733 16.403 -2.443 1.00 0.00 C ATOM 0 H PHE A 92 -1.742 13.935 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.102 13.421 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.771 11.974 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.639 12.149 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.188 14.386 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.149 13.815 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.188 16.556 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.145 15.986 -3.990 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.177 17.354 -2.188 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.259 11.029 -3.542 1.00 0.00 N ATOM 1473 CA PRO A 93 0.326 9.705 -3.391 1.00 0.00 C ATOM 1474 C PRO A 93 -0.664 8.750 -2.737 1.00 0.00 C ATOM 1475 O PRO A 93 -0.889 8.801 -1.525 1.00 0.00 O ATOM 1476 CB PRO A 93 1.539 9.926 -2.475 1.00 0.00 C ATOM 1477 CG PRO A 93 1.615 11.403 -2.233 1.00 0.00 C ATOM 1478 CD PRO A 93 0.250 11.956 -2.530 1.00 0.00 C ATOM 0 HA PRO A 93 0.598 9.262 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.423 9.383 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.453 9.561 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.903 11.613 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.367 11.863 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.382 11.973 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.300 12.978 -2.906 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.279 7.907 -3.544 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.316 7.012 -3.064 1.00 0.00 C ATOM 1488 C ALA A 94 -1.931 5.555 -3.279 1.00 0.00 C ATOM 1489 O ALA A 94 -0.901 5.253 -3.886 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.635 7.320 -3.761 1.00 0.00 C ATOM 0 H ALA A 94 -1.078 7.823 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.433 7.172 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.407 6.643 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.925 8.349 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.518 7.188 -4.837 1.00 0.00 H new ATOM 1496 N THR A 95 -2.760 4.655 -2.779 1.00 0.00 N ATOM 1497 CA THR A 95 -2.538 3.235 -2.954 1.00 0.00 C ATOM 1498 C THR A 95 -3.691 2.638 -3.748 1.00 0.00 C ATOM 1499 O THR A 95 -4.832 2.678 -3.307 1.00 0.00 O ATOM 1500 CB THR A 95 -2.427 2.521 -1.594 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.532 3.247 -0.745 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.923 1.095 -1.769 1.00 0.00 C ATOM 0 H THR A 95 -3.598 4.887 -2.245 1.00 0.00 H new ATOM 0 HA THR A 95 -1.601 3.095 -3.493 1.00 0.00 H new ATOM 0 HB THR A 95 -3.417 2.483 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.008 3.537 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.853 0.612 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.616 0.539 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.939 1.112 -2.237 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.407 2.110 -4.922 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.453 1.547 -5.753 1.00 0.00 C ATOM 1512 C LEU A 96 -4.604 0.061 -5.467 1.00 0.00 C ATOM 1513 O LEU A 96 -3.614 -0.662 -5.357 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.161 1.780 -7.238 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.234 3.238 -7.710 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.970 3.998 -7.336 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.475 3.302 -9.211 1.00 0.00 C ATOM 0 H LEU A 96 -2.469 2.059 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.390 2.050 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.165 1.396 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.867 1.192 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.074 3.715 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.049 5.028 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.846 3.988 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.108 3.523 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.524 4.344 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.658 2.802 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.416 2.806 -9.450 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.846 -0.376 -5.334 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.144 -1.756 -4.983 1.00 0.00 C ATOM 1531 C VAL A 97 -6.447 -2.585 -6.227 1.00 0.00 C ATOM 1532 O VAL A 97 -7.406 -2.310 -6.954 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.344 -1.842 -4.017 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.607 -3.284 -3.607 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.110 -0.976 -2.787 1.00 0.00 C ATOM 0 H VAL A 97 -6.670 0.210 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.259 -2.157 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.224 -1.468 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.457 -3.319 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.827 -3.880 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.726 -3.687 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.969 -1.052 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.215 -1.317 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.979 0.062 -3.093 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.628 -3.595 -6.462 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.806 -4.486 -7.593 1.00 0.00 C ATOM 1547 C PHE A 98 -6.095 -5.894 -7.092 1.00 0.00 C ATOM 1548 O PHE A 98 -5.280 -6.492 -6.399 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.547 -4.501 -8.468 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.136 -3.153 -8.994 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.515 -2.232 -8.168 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.358 -2.816 -10.316 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -3.123 -0.998 -8.652 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.967 -1.584 -10.808 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.350 -0.671 -9.972 1.00 0.00 C ATOM 0 H PHE A 98 -4.824 -3.819 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.644 -4.129 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.723 -4.918 -7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.714 -5.170 -9.312 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.335 -2.481 -7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.843 -3.523 -10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.639 -0.290 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.143 -1.335 -11.844 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.047 0.294 -10.352 1.00 0.00 H new ATOM 1565 N THR A 99 -7.256 -6.411 -7.421 1.00 0.00 N ATOM 1566 CA THR A 99 -7.631 -7.757 -7.028 1.00 0.00 C ATOM 1567 C THR A 99 -8.351 -8.436 -8.175 1.00 0.00 C ATOM 1568 O THR A 99 -8.952 -7.756 -9.012 1.00 0.00 O ATOM 1569 CB THR A 99 -8.520 -7.757 -5.768 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.372 -6.605 -5.772 1.00 0.00 O ATOM 1571 CG2 THR A 99 -7.675 -7.768 -4.502 1.00 0.00 C ATOM 0 H THR A 99 -7.965 -5.918 -7.964 1.00 0.00 H new ATOM 0 HA THR A 99 -6.721 -8.306 -6.786 1.00 0.00 H new ATOM 0 HB THR A 99 -9.129 -8.661 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.935 -6.612 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.328 -7.768 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.051 -8.662 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.040 -6.882 -4.481 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.252 -9.764 -8.238 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.857 -10.554 -9.324 1.00 0.00 C ATOM 1581 C ASP A 100 -8.083 -10.353 -10.621 1.00 0.00 C ATOM 1582 O ASP A 100 -8.423 -10.898 -11.672 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.325 -10.157 -9.520 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.079 -11.054 -10.481 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.399 -12.201 -10.107 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.377 -10.602 -11.609 1.00 0.00 O ATOM 0 H ASP A 100 -7.755 -10.324 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.813 -11.608 -9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.828 -10.172 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.368 -9.131 -9.886 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.008 -9.601 -10.524 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.260 -9.219 -11.697 1.00 0.00 C ATOM 1593 C GLY A 101 -6.772 -7.924 -12.300 1.00 0.00 C ATOM 1594 O GLY A 101 -6.263 -7.472 -13.326 1.00 0.00 O ATOM 0 H GLY A 101 -6.634 -9.243 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.208 -9.106 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.320 -10.014 -12.440 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.793 -7.328 -11.678 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.328 -6.057 -12.163 1.00 0.00 C ATOM 1600 C LYS A 102 -8.226 -4.959 -11.103 1.00 0.00 C ATOM 1601 O LYS A 102 -8.095 -5.233 -9.911 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.782 -6.210 -12.628 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.716 -6.838 -11.601 1.00 0.00 C ATOM 1604 CD LYS A 102 -12.170 -6.561 -11.947 1.00 0.00 C ATOM 1605 CE LYS A 102 -13.133 -7.325 -11.052 1.00 0.00 C ATOM 1606 NZ LYS A 102 -13.270 -8.745 -11.466 1.00 0.00 N ATOM 0 H LYS A 102 -8.259 -7.700 -10.850 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.719 -5.760 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.168 -5.227 -12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.798 -6.818 -13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.547 -7.914 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.492 -6.442 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.365 -5.492 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.351 -6.832 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.783 -7.280 -10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.111 -6.844 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.752 -9.280 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.827 -8.799 -12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.327 -9.151 -11.630 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.289 -3.712 -11.553 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.210 -2.568 -10.656 1.00 0.00 C ATOM 1622 C LEU A 103 -9.573 -2.294 -10.028 1.00 0.00 C ATOM 1623 O LEU A 103 -10.582 -2.194 -10.727 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.709 -1.334 -11.417 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.653 -0.029 -10.608 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.782 -0.179 -9.373 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -7.144 1.105 -11.476 1.00 0.00 C ATOM 0 H LEU A 103 -8.395 -3.468 -12.538 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.503 -2.794 -9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.710 -1.546 -11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.354 -1.177 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.665 0.203 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.764 0.762 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.188 -0.964 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.768 -0.443 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.109 2.024 -10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.143 0.866 -11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.813 1.241 -12.326 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.601 -2.202 -8.704 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.834 -1.922 -7.980 1.00 0.00 C ATOM 1641 C ARG A 104 -11.006 -0.424 -7.777 1.00 0.00 C ATOM 1642 O ARG A 104 -12.104 0.114 -7.925 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.822 -2.639 -6.627 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.860 -4.154 -6.737 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.284 -4.694 -6.761 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.067 -4.181 -7.883 1.00 0.00 N ATOM 1647 CZ ARG A 104 -14.341 -4.501 -8.104 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.985 -5.300 -7.262 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.974 -4.004 -9.155 1.00 0.00 N ATOM 0 H ARG A 104 -8.781 -2.318 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.674 -2.289 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.927 -2.346 -6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.678 -2.305 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.341 -4.464 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.322 -4.591 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.254 -5.782 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.782 -4.433 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.612 -3.541 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.504 -5.671 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.961 -5.543 -7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.486 -3.377 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.950 -4.248 -9.325 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.912 0.247 -7.445 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.959 1.676 -7.220 1.00 0.00 C ATOM 1665 C GLY A 105 -8.771 2.167 -6.428 1.00 0.00 C ATOM 1666 O GLY A 105 -7.837 1.406 -6.166 1.00 0.00 O ATOM 0 H GLY A 105 -8.991 -0.175 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.993 2.192 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.877 1.929 -6.689 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.808 3.434 -6.046 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.723 4.039 -5.289 1.00 0.00 C ATOM 1672 C ALA A 106 -8.103 4.187 -3.821 1.00 0.00 C ATOM 1673 O ALA A 106 -9.227 4.569 -3.494 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.355 5.390 -5.883 1.00 0.00 C ATOM 0 H ALA A 106 -9.582 4.066 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.855 3.383 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.542 5.831 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.037 5.258 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.222 6.050 -5.851 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.165 3.877 -2.941 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.395 3.980 -1.511 1.00 0.00 C ATOM 1682 C LEU A 107 -6.959 5.357 -1.026 1.00 0.00 C ATOM 1683 O LEU A 107 -5.780 5.712 -1.108 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.623 2.873 -0.773 1.00 0.00 C ATOM 1685 CG LEU A 107 -7.112 2.519 0.641 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -6.918 3.676 1.612 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.573 2.094 0.602 1.00 0.00 C ATOM 0 H LEU A 107 -6.233 3.550 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.457 3.853 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.658 1.969 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.577 3.173 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.509 1.686 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.276 3.386 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.859 3.929 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.480 4.542 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.907 1.846 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.179 2.911 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.681 1.221 -0.041 1.00 0.00 H new ATOM 1699 N SER A 108 -7.918 6.138 -0.556 1.00 0.00 N ATOM 1700 CA SER A 108 -7.644 7.451 0.002 1.00 0.00 C ATOM 1701 C SER A 108 -8.720 7.807 1.017 1.00 0.00 C ATOM 1702 O SER A 108 -9.782 7.181 1.040 1.00 0.00 O ATOM 1703 CB SER A 108 -7.597 8.509 -1.103 1.00 0.00 C ATOM 1704 OG SER A 108 -6.656 8.162 -2.106 1.00 0.00 O ATOM 0 H SER A 108 -8.905 5.880 -0.551 1.00 0.00 H new ATOM 0 HA SER A 108 -6.672 7.427 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.586 8.616 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.335 9.476 -0.673 1.00 0.00 H new ATOM 0 HG SER A 108 -6.648 8.854 -2.800 1.00 0.00 H new ATOM 1710 N GLY A 109 -8.450 8.797 1.854 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.424 9.211 2.836 1.00 0.00 C ATOM 1712 C GLY A 109 -8.924 10.357 3.680 1.00 0.00 C ATOM 1713 O GLY A 109 -7.773 10.777 3.548 1.00 0.00 O ATOM 0 H GLY A 109 -7.574 9.319 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.344 9.507 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.671 8.367 3.480 1.00 0.00 H new ATOM 1717 N ILE A 110 -9.785 10.861 4.550 1.00 0.00 N ATOM 1718 CA ILE A 110 -9.435 11.983 5.409 1.00 0.00 C ATOM 1719 C ILE A 110 -9.105 11.502 6.818 1.00 0.00 C ATOM 1720 O ILE A 110 -8.642 12.270 7.662 1.00 0.00 O ATOM 1721 CB ILE A 110 -10.570 13.028 5.482 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -11.862 12.383 5.995 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -10.791 13.666 4.115 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -12.991 13.369 6.214 1.00 0.00 C ATOM 0 H ILE A 110 -10.734 10.510 4.681 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.558 12.456 4.968 1.00 0.00 H new ATOM 0 HB ILE A 110 -10.278 13.810 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.187 11.625 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.653 11.869 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.594 14.400 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.874 14.159 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.063 12.896 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.872 12.839 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.686 14.113 6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.228 13.865 5.273 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.352 10.226 7.068 1.00 0.00 N ATOM 1737 CA HIS A 111 -9.069 9.636 8.368 1.00 0.00 C ATOM 1738 C HIS A 111 -7.913 8.657 8.249 1.00 0.00 C ATOM 1739 O HIS A 111 -7.800 7.958 7.243 1.00 0.00 O ATOM 1740 CB HIS A 111 -10.297 8.908 8.921 1.00 0.00 C ATOM 1741 CG HIS A 111 -11.504 9.778 9.081 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -12.664 9.582 8.370 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -11.730 10.843 9.883 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -13.554 10.489 8.725 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -13.011 11.269 9.639 1.00 0.00 N ATOM 0 H HIS A 111 -9.748 9.578 6.387 1.00 0.00 H new ATOM 0 HA HIS A 111 -8.804 10.440 9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -10.545 8.080 8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -10.044 8.475 9.889 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -12.813 8.850 7.676 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -11.033 11.277 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.557 10.578 8.334 1.00 0.00 H new ATOM 1754 N PRO A 112 -7.040 8.594 9.268 1.00 0.00 N ATOM 1755 CA PRO A 112 -5.898 7.670 9.279 1.00 0.00 C ATOM 1756 C PRO A 112 -6.336 6.209 9.171 1.00 0.00 C ATOM 1757 O PRO A 112 -5.636 5.383 8.586 1.00 0.00 O ATOM 1758 CB PRO A 112 -5.222 7.932 10.634 1.00 0.00 C ATOM 1759 CG PRO A 112 -6.246 8.640 11.455 1.00 0.00 C ATOM 1760 CD PRO A 112 -7.088 9.418 10.486 1.00 0.00 C ATOM 0 HA PRO A 112 -5.237 7.835 8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.915 6.999 11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.325 8.539 10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.853 7.931 12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.774 9.302 12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.108 9.543 10.848 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.686 10.416 10.314 1.00 0.00 H new ATOM 1768 N TRP A 113 -7.498 5.901 9.739 1.00 0.00 N ATOM 1769 CA TRP A 113 -8.065 4.561 9.657 1.00 0.00 C ATOM 1770 C TRP A 113 -9.556 4.597 9.978 1.00 0.00 C ATOM 1771 O TRP A 113 -9.942 4.782 11.131 1.00 0.00 O ATOM 1772 CB TRP A 113 -7.344 3.604 10.614 1.00 0.00 C ATOM 1773 CG TRP A 113 -7.813 2.181 10.505 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -8.988 1.669 10.973 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -7.117 1.090 9.893 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -9.064 0.327 10.693 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -7.926 -0.054 10.030 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -5.888 0.971 9.241 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -7.543 -1.300 9.540 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -5.508 -0.265 8.756 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -6.333 -1.386 8.907 1.00 0.00 C ATOM 0 H TRP A 113 -8.067 6.566 10.263 1.00 0.00 H new ATOM 0 HA TRP A 113 -7.930 4.196 8.639 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -6.273 3.642 10.414 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -7.489 3.949 11.638 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -9.748 2.237 11.489 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -9.841 -0.287 10.938 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.246 1.831 9.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.178 -2.166 9.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.559 -0.369 8.252 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.008 -2.339 8.516 1.00 0.00 H new ATOM 1792 N ALA A 114 -10.378 4.432 8.947 1.00 0.00 N ATOM 1793 CA ALA A 114 -11.835 4.406 9.096 1.00 0.00 C ATOM 1794 C ALA A 114 -12.494 4.205 7.742 1.00 0.00 C ATOM 1795 O ALA A 114 -13.519 3.537 7.624 1.00 0.00 O ATOM 1796 CB ALA A 114 -12.349 5.697 9.726 1.00 0.00 C ATOM 0 H ALA A 114 -10.058 4.313 7.986 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.089 3.575 9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.434 5.648 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.901 5.824 10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.080 6.543 9.093 1.00 0.00 H new ATOM 1802 N GLU A 115 -11.863 4.771 6.723 1.00 0.00 N ATOM 1803 CA GLU A 115 -12.412 4.802 5.366 1.00 0.00 C ATOM 1804 C GLU A 115 -12.642 3.387 4.828 1.00 0.00 C ATOM 1805 O GLU A 115 -13.559 3.144 4.040 1.00 0.00 O ATOM 1806 CB GLU A 115 -11.455 5.555 4.432 1.00 0.00 C ATOM 1807 CG GLU A 115 -10.760 6.758 5.071 1.00 0.00 C ATOM 1808 CD GLU A 115 -11.715 7.843 5.540 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -12.384 7.650 6.575 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -11.776 8.910 4.894 1.00 0.00 O ATOM 0 H GLU A 115 -10.953 5.224 6.810 1.00 0.00 H new ATOM 0 HA GLU A 115 -13.372 5.317 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.695 4.860 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.012 5.895 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.170 6.415 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.063 7.187 4.351 1.00 0.00 H new ATOM 1817 N LEU A 116 -11.809 2.455 5.279 1.00 0.00 N ATOM 1818 CA LEU A 116 -11.848 1.072 4.810 1.00 0.00 C ATOM 1819 C LEU A 116 -13.213 0.424 5.025 1.00 0.00 C ATOM 1820 O LEU A 116 -13.664 -0.363 4.198 1.00 0.00 O ATOM 1821 CB LEU A 116 -10.778 0.247 5.524 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.342 0.523 5.085 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.365 -0.153 6.030 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -9.125 0.036 3.659 1.00 0.00 C ATOM 0 H LEU A 116 -11.089 2.635 5.978 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.655 1.092 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.855 0.432 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.992 -0.810 5.366 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.166 1.598 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.345 0.052 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.509 0.232 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.539 -1.229 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.097 0.239 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.313 -1.036 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.809 0.557 2.989 1.00 0.00 H new ATOM 1836 N LEU A 117 -13.872 0.773 6.121 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.126 0.125 6.500 1.00 0.00 C ATOM 1838 C LEU A 117 -16.196 0.307 5.427 1.00 0.00 C ATOM 1839 O LEU A 117 -17.001 -0.592 5.182 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.633 0.658 7.845 1.00 0.00 C ATOM 1841 CG LEU A 117 -14.925 0.104 9.091 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.041 -1.413 9.140 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -13.464 0.521 9.127 1.00 0.00 C ATOM 0 H LEU A 117 -13.562 1.501 6.765 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.922 -0.941 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.533 1.743 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.697 0.436 7.925 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.418 0.524 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -14.534 -1.788 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.093 -1.697 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.579 -1.842 8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -12.991 0.113 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -12.955 0.141 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.396 1.609 9.145 1.00 0.00 H new ATOM 1855 N THR A 118 -16.197 1.466 4.794 1.00 0.00 N ATOM 1856 CA THR A 118 -17.153 1.754 3.740 1.00 0.00 C ATOM 1857 C THR A 118 -16.630 1.273 2.387 1.00 0.00 C ATOM 1858 O THR A 118 -17.373 0.699 1.589 1.00 0.00 O ATOM 1859 CB THR A 118 -17.444 3.265 3.671 1.00 0.00 C ATOM 1860 OG1 THR A 118 -17.655 3.776 4.996 1.00 0.00 O ATOM 1861 CG2 THR A 118 -18.667 3.548 2.809 1.00 0.00 C ATOM 0 H THR A 118 -15.545 2.225 4.992 1.00 0.00 H new ATOM 0 HA THR A 118 -18.076 1.222 3.972 1.00 0.00 H new ATOM 0 HB THR A 118 -16.585 3.760 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.838 4.738 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.849 4.622 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.493 3.180 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.536 3.045 3.233 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.339 1.485 2.147 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.733 1.156 0.862 1.00 0.00 C ATOM 1871 C LEU A 119 -14.693 -0.351 0.617 1.00 0.00 C ATOM 1872 O LEU A 119 -15.127 -0.818 -0.434 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.318 1.736 0.779 1.00 0.00 C ATOM 1874 CG LEU A 119 -13.247 3.264 0.797 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -11.803 3.735 0.792 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -13.998 3.850 -0.389 1.00 0.00 C ATOM 0 H LEU A 119 -14.692 1.884 2.827 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.355 1.601 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.733 1.350 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.846 1.375 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.721 3.614 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.776 4.825 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.291 3.349 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.304 3.370 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -13.935 4.938 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.554 3.487 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.044 3.545 -0.344 1.00 0.00 H new ATOM 1888 N MET A 120 -14.202 -1.111 1.598 1.00 0.00 N ATOM 1889 CA MET A 120 -14.011 -2.556 1.433 1.00 0.00 C ATOM 1890 C MET A 120 -15.318 -3.254 1.085 1.00 0.00 C ATOM 1891 O MET A 120 -15.328 -4.199 0.305 1.00 0.00 O ATOM 1892 CB MET A 120 -13.414 -3.189 2.695 1.00 0.00 C ATOM 1893 CG MET A 120 -11.996 -2.731 3.008 1.00 0.00 C ATOM 1894 SD MET A 120 -11.288 -3.581 4.434 1.00 0.00 S ATOM 1895 CE MET A 120 -12.495 -3.201 5.702 1.00 0.00 C ATOM 0 H MET A 120 -13.930 -0.752 2.513 1.00 0.00 H new ATOM 0 HA MET A 120 -13.311 -2.689 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.056 -2.955 3.544 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.418 -4.273 2.582 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.363 -2.902 2.137 1.00 0.00 H new ATOM 0 HG3 MET A 120 -11.998 -1.657 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 120 -11.988 -3.059 6.656 1.00 0.00 H new ATOM 0 HE2 MET A 120 -13.028 -2.288 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 120 -13.205 -4.024 5.787 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.417 -2.768 1.652 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.726 -3.343 1.415 1.00 0.00 C ATOM 1907 C ARG A 121 -18.064 -3.382 -0.071 1.00 0.00 C ATOM 1908 O ARG A 121 -18.405 -4.430 -0.613 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.777 -2.537 2.161 1.00 0.00 C ATOM 1910 CG ARG A 121 -18.866 -2.869 3.637 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.075 -2.207 4.277 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.075 -2.342 5.733 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.127 -2.743 6.446 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -22.222 -3.184 5.841 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -21.065 -2.742 7.769 1.00 0.00 N ATOM 0 H ARG A 121 -16.421 -1.968 2.285 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.715 -4.370 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.555 -1.476 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.749 -2.710 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.929 -3.949 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.958 -2.540 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.090 -1.150 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.985 -2.650 3.873 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.216 -2.115 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.263 -3.218 4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.023 -3.489 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.214 -2.435 8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.869 -3.048 8.317 1.00 0.00 H new ATOM 1929 N SER A 122 -17.969 -2.232 -0.718 1.00 0.00 N ATOM 1930 CA SER A 122 -18.280 -2.127 -2.140 1.00 0.00 C ATOM 1931 C SER A 122 -17.215 -2.826 -2.991 1.00 0.00 C ATOM 1932 O SER A 122 -17.510 -3.342 -4.072 1.00 0.00 O ATOM 1933 CB SER A 122 -18.405 -0.654 -2.549 1.00 0.00 C ATOM 1934 OG SER A 122 -18.972 -0.521 -3.842 1.00 0.00 O ATOM 0 H SER A 122 -17.679 -1.356 -0.284 1.00 0.00 H new ATOM 0 HA SER A 122 -19.233 -2.625 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.023 -0.125 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.421 -0.186 -2.532 1.00 0.00 H new ATOM 0 HG SER A 122 -19.040 0.429 -4.073 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.983 -2.841 -2.494 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.866 -3.438 -3.215 1.00 0.00 C ATOM 1942 C ILE A 123 -14.986 -4.962 -3.271 1.00 0.00 C ATOM 1943 O ILE A 123 -14.862 -5.561 -4.343 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.512 -3.042 -2.580 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.287 -1.531 -2.697 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.363 -3.798 -3.228 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -13.322 -1.009 -4.123 1.00 0.00 C ATOM 0 H ILE A 123 -15.732 -2.444 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.902 -3.050 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.544 -3.311 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -14.049 -1.014 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -12.323 -1.282 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.423 -3.500 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.511 -4.870 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.330 -3.567 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -13.155 0.068 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.542 -1.496 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -14.295 -1.224 -4.565 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.241 -5.585 -2.125 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.312 -7.038 -2.050 1.00 0.00 C ATOM 1961 C VAL A 124 -16.544 -7.500 -1.276 1.00 0.00 C ATOM 1962 O VAL A 124 -16.458 -7.907 -0.117 1.00 0.00 O ATOM 1963 CB VAL A 124 -14.030 -7.654 -1.420 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.881 -7.616 -2.414 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.634 -6.925 -0.139 1.00 0.00 C ATOM 0 H VAL A 124 -15.401 -5.107 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.391 -7.395 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.251 -8.691 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.991 -8.050 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.150 -8.187 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.677 -6.583 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.735 -7.380 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.440 -5.876 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.445 -6.997 0.586 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.699 -7.413 -1.926 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.953 -7.905 -1.353 1.00 0.00 C ATOM 1977 C ASP A 125 -18.850 -9.394 -1.042 1.00 0.00 C ATOM 1978 O ASP A 125 -19.242 -9.843 0.035 1.00 0.00 O ATOM 1979 CB ASP A 125 -20.111 -7.635 -2.321 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.404 -8.328 -1.931 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.946 -8.043 -0.840 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -21.907 -9.140 -2.740 1.00 0.00 O ATOM 0 H ASP A 125 -17.796 -7.004 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.146 -7.376 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.286 -6.560 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.821 -7.960 -3.320 1.00 0.00 H new