USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -120:sc= -0.108 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.928 K(o=2.1,f=0.49) USER MOD Set 1.3: A 95 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.26) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 170:sc= -0.152 (180deg=-0.21) USER MOD Set 2.2: A 78 MET CE :methyl 157:sc= -1.65 (180deg=-2.35!) USER MOD Set 2.3: A 86 THR OG1 : rot 107:sc= 0.0218 USER MOD Set 3.1: A 44 ASN : amide:sc= -5.06! C(o=-5.4!,f=-7.3!) USER MOD Set 3.2: A 56 TYR OH : rot 0:sc= -0.328 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.475 F(o=-3.5!,f=-0.47) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.505 F(o=-1.2,f=-0.5) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.19) USER MOD Single : A 23 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0055) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.51 F(o=-4.5!,f=-2.5) USER MOD Single : A 42 SER OG : rot 94:sc= 1.27 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.9! C(o=-3.3!,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0214) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 61 SER OG : rot -170:sc= -0.235 USER MOD Single : A 72 GLN :FLIP amide:sc=-0.00761 F(o=-2.7!,f=-0.0076) USER MOD Single : A 79 GLN :FLIP amide:sc= 0.105 F(o=-6.9!,f=0.1) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.16 F(o=-2.4,f=-1.2) USER MOD Single : A 85 MET CE :methyl -141:sc= -3.42! (180deg=-5.93!) USER MOD Single : A 87 MET CE :methyl 164:sc= -0.0632 (180deg=-0.404) USER MOD Single : A 90 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-2.8) USER MOD Single : A 98 THR OG1 : rot -38:sc= 0.596 USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.08) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -52:sc= 0.252 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.451 -11.047 -4.296 1.00 0.00 N ATOM 154 CA VAL A 12 -7.760 -10.502 -5.581 1.00 0.00 C ATOM 155 C VAL A 12 -6.779 -9.390 -5.815 1.00 0.00 C ATOM 156 O VAL A 12 -6.756 -8.413 -5.054 1.00 0.00 O ATOM 157 CB VAL A 12 -9.211 -9.950 -5.651 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.516 -9.371 -7.029 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.219 -11.034 -5.289 1.00 0.00 C ATOM 0 HA VAL A 12 -7.690 -11.280 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.296 -9.144 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.538 -8.993 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.824 -8.556 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.404 -10.149 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.228 -10.626 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.125 -11.866 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.026 -11.387 -4.276 1.00 0.00 H new ATOM 169 N VAL A 13 -5.952 -9.549 -6.794 1.00 0.00 N ATOM 170 CA VAL A 13 -4.916 -8.599 -7.053 1.00 0.00 C ATOM 171 C VAL A 13 -5.288 -7.751 -8.263 1.00 0.00 C ATOM 172 O VAL A 13 -5.942 -8.234 -9.198 1.00 0.00 O ATOM 173 CB VAL A 13 -3.550 -9.311 -7.265 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.482 -10.048 -8.588 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.385 -8.360 -7.084 1.00 0.00 C ATOM 0 H VAL A 13 -5.973 -10.340 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.811 -7.945 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.468 -10.069 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.508 -10.528 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.265 -10.805 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.624 -9.341 -9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.449 -8.897 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.463 -7.548 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.403 -7.950 -6.074 1.00 0.00 H new ATOM 185 N GLN A 14 -4.921 -6.512 -8.227 1.00 0.00 N ATOM 186 CA GLN A 14 -5.198 -5.606 -9.298 1.00 0.00 C ATOM 187 C GLN A 14 -4.032 -4.648 -9.433 1.00 0.00 C ATOM 188 O GLN A 14 -3.357 -4.336 -8.430 1.00 0.00 O ATOM 189 CB GLN A 14 -6.547 -4.892 -9.046 1.00 0.00 C ATOM 190 CG GLN A 14 -6.606 -4.022 -7.795 1.00 0.00 C ATOM 191 CD GLN A 14 -6.417 -2.564 -8.105 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.217 -2.124 -8.096 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.371 -1.846 -8.376 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.415 -6.094 -7.446 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.303 -6.136 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.776 -4.270 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.331 -5.647 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.567 -4.165 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.836 -4.345 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.316 -2.231 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.221 -0.863 -8.604 1.00 0.00 H new ATOM 202 N ARG A 15 -3.781 -4.182 -10.621 1.00 0.00 N ATOM 203 CA ARG A 15 -2.647 -3.331 -10.864 1.00 0.00 C ATOM 204 C ARG A 15 -3.047 -1.859 -10.758 1.00 0.00 C ATOM 205 O ARG A 15 -4.181 -1.483 -11.089 1.00 0.00 O ATOM 206 CB ARG A 15 -1.966 -3.676 -12.232 1.00 0.00 C ATOM 207 CG ARG A 15 -2.755 -3.340 -13.508 1.00 0.00 C ATOM 208 CD ARG A 15 -2.533 -1.896 -13.952 1.00 0.00 C ATOM 209 NE ARG A 15 -3.408 -1.512 -15.055 1.00 0.00 N ATOM 210 CZ ARG A 15 -3.226 -0.455 -15.865 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.045 0.174 -15.917 1.00 0.00 N ATOM 212 NH2 ARG A 15 -4.200 -0.084 -16.684 1.00 0.00 N ATOM 0 H ARG A 15 -4.350 -4.377 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.899 -3.514 -10.092 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.011 -3.153 -12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.745 -4.743 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.455 -4.016 -14.309 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.818 -3.506 -13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.704 -1.229 -13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.494 -1.768 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.227 -2.095 -15.226 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.270 -0.148 -15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.921 0.975 -16.536 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.080 -0.600 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.070 0.717 -17.302 1.00 0.00 H new ATOM 226 N VAL A 16 -2.146 -1.055 -10.269 1.00 0.00 N ATOM 227 CA VAL A 16 -2.342 0.371 -10.148 1.00 0.00 C ATOM 228 C VAL A 16 -1.247 1.025 -10.964 1.00 0.00 C ATOM 229 O VAL A 16 -0.166 0.442 -11.123 1.00 0.00 O ATOM 230 CB VAL A 16 -2.161 0.896 -8.693 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.835 2.233 -8.527 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.608 -0.087 -7.629 1.00 0.00 C ATOM 0 H VAL A 16 -1.236 -1.373 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.357 0.598 -10.472 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.089 1.018 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.698 2.585 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.395 2.951 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.900 2.132 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.451 0.349 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.666 -0.312 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.028 -1.006 -7.716 1.00 0.00 H new ATOM 242 N GLU A 17 -1.490 2.206 -11.447 1.00 0.00 N ATOM 243 CA GLU A 17 -0.509 2.915 -12.203 1.00 0.00 C ATOM 244 C GLU A 17 -0.514 4.377 -11.828 1.00 0.00 C ATOM 245 O GLU A 17 -1.410 5.135 -12.209 1.00 0.00 O ATOM 246 CB GLU A 17 -0.725 2.737 -13.693 1.00 0.00 C ATOM 247 CG GLU A 17 0.260 3.518 -14.523 1.00 0.00 C ATOM 248 CD GLU A 17 0.023 3.363 -15.994 1.00 0.00 C ATOM 249 OE1 GLU A 17 -1.004 3.849 -16.483 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.862 2.775 -16.697 1.00 0.00 O ATOM 0 H GLU A 17 -2.373 2.702 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 17 0.469 2.499 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.646 1.679 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.737 3.050 -13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.197 4.573 -14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.272 3.189 -14.285 1.00 0.00 H new ATOM 257 N ILE A 18 0.464 4.758 -11.078 1.00 0.00 N ATOM 258 CA ILE A 18 0.585 6.123 -10.646 1.00 0.00 C ATOM 259 C ILE A 18 1.488 6.875 -11.585 1.00 0.00 C ATOM 260 O ILE A 18 2.545 6.376 -11.976 1.00 0.00 O ATOM 261 CB ILE A 18 1.114 6.298 -9.166 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.033 6.068 -8.095 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.734 7.663 -8.958 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.348 4.644 -7.815 1.00 0.00 C ATOM 0 H ILE A 18 1.204 4.140 -10.744 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.427 6.527 -10.659 1.00 0.00 H new ATOM 0 HB ILE A 18 1.871 5.524 -9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.376 6.518 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.865 6.607 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.087 7.750 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.573 7.789 -9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.989 8.434 -9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.117 4.618 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.732 4.184 -8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.528 4.093 -7.473 1.00 0.00 H new ATOM 276 N HIS A 19 1.043 8.035 -11.978 1.00 0.00 N ATOM 277 CA HIS A 19 1.832 8.934 -12.758 1.00 0.00 C ATOM 278 C HIS A 19 2.326 10.062 -11.864 1.00 0.00 C ATOM 279 O HIS A 19 1.529 10.657 -11.132 1.00 0.00 O ATOM 280 CB HIS A 19 1.021 9.505 -13.923 1.00 0.00 C ATOM 281 CG HIS A 19 0.655 8.508 -14.985 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.955 7.191 -15.090 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.065 8.822 -16.114 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.435 6.698 -16.281 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.173 7.720 -16.857 1.00 0.00 N flip ATOM 0 H HIS A 19 0.109 8.383 -11.761 1.00 0.00 H new ATOM 0 HA HIS A 19 2.680 8.391 -13.175 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.106 9.946 -13.528 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.591 10.312 -14.383 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.472 9.792 -16.357 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.512 5.689 -16.658 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.660 7.672 -17.752 1.00 0.00 H new ATOM 293 N LYS A 20 3.642 10.296 -11.917 1.00 0.00 N ATOM 294 CA LYS A 20 4.383 11.388 -11.202 1.00 0.00 C ATOM 295 C LYS A 20 3.537 12.599 -10.737 1.00 0.00 C ATOM 296 O LYS A 20 3.189 13.470 -11.525 1.00 0.00 O ATOM 297 CB LYS A 20 5.511 11.866 -12.129 1.00 0.00 C ATOM 298 CG LYS A 20 5.058 12.121 -13.570 1.00 0.00 C ATOM 299 CD LYS A 20 6.224 12.413 -14.484 1.00 0.00 C ATOM 300 CE LYS A 20 5.773 12.530 -15.931 1.00 0.00 C ATOM 301 NZ LYS A 20 6.923 12.551 -16.855 1.00 0.00 N ATOM 0 H LYS A 20 4.264 9.714 -12.479 1.00 0.00 H new ATOM 0 HA LYS A 20 4.748 10.952 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.938 12.784 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.306 11.120 -12.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.516 11.250 -13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.363 12.960 -13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.708 13.339 -14.175 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.967 11.620 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.121 11.693 -16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.186 13.440 -16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.588 12.733 -17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.584 13.302 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.410 11.632 -16.825 1.00 0.00 H new ATOM 315 N LEU A 21 3.254 12.656 -9.451 1.00 0.00 N ATOM 316 CA LEU A 21 2.491 13.751 -8.880 1.00 0.00 C ATOM 317 C LEU A 21 3.414 14.721 -8.169 1.00 0.00 C ATOM 318 O LEU A 21 4.155 14.342 -7.266 1.00 0.00 O ATOM 319 CB LEU A 21 1.467 13.231 -7.892 1.00 0.00 C ATOM 320 CG LEU A 21 0.710 14.302 -7.100 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.180 15.131 -8.013 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.088 13.686 -5.976 1.00 0.00 C ATOM 0 H LEU A 21 3.544 11.950 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 21 1.978 14.263 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.741 12.624 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.971 12.571 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 21 1.448 14.971 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.705 15.883 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.432 15.624 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.906 14.481 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.615 14.470 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.811 12.981 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.585 13.162 -5.297 1.00 0.00 H new ATOM 334 N ARG A 22 3.363 15.953 -8.556 1.00 0.00 N ATOM 335 CA ARG A 22 4.217 16.954 -7.969 1.00 0.00 C ATOM 336 C ARG A 22 3.484 17.605 -6.821 1.00 0.00 C ATOM 337 O ARG A 22 2.419 18.178 -7.022 1.00 0.00 O ATOM 338 CB ARG A 22 4.635 18.036 -8.995 1.00 0.00 C ATOM 339 CG ARG A 22 5.402 17.543 -10.248 1.00 0.00 C ATOM 340 CD ARG A 22 4.529 16.722 -11.211 1.00 0.00 C ATOM 341 NE ARG A 22 3.401 17.502 -11.748 1.00 0.00 N ATOM 342 CZ ARG A 22 2.340 17.006 -12.426 1.00 0.00 C ATOM 343 NH1 ARG A 22 2.158 15.692 -12.548 1.00 0.00 N ATOM 344 NH2 ARG A 22 1.446 17.835 -12.945 1.00 0.00 N ATOM 0 H ARG A 22 2.736 16.301 -9.282 1.00 0.00 H new ATOM 0 HA ARG A 22 5.126 16.464 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.736 18.555 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.256 18.770 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.807 18.404 -10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.250 16.937 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.143 16.361 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.146 15.844 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 22 3.421 18.510 -11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.824 15.044 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.353 15.334 -13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.559 18.842 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.645 17.466 -13.457 1.00 0.00 H new ATOM 358 N GLN A 23 4.012 17.481 -5.626 1.00 0.00 N ATOM 359 CA GLN A 23 3.413 18.115 -4.477 1.00 0.00 C ATOM 360 C GLN A 23 4.445 18.941 -3.764 1.00 0.00 C ATOM 361 O GLN A 23 5.382 18.390 -3.182 1.00 0.00 O ATOM 362 CB GLN A 23 2.835 17.109 -3.476 1.00 0.00 C ATOM 363 CG GLN A 23 1.757 16.191 -4.008 1.00 0.00 C ATOM 364 CD GLN A 23 0.922 15.548 -2.895 1.00 0.00 C ATOM 365 OE1 GLN A 23 -0.260 15.235 -3.086 1.00 0.00 O ATOM 366 NE2 GLN A 23 1.492 15.393 -1.724 1.00 0.00 N ATOM 0 H GLN A 23 4.857 16.946 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 23 2.595 18.731 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.651 16.496 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.429 17.662 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.100 16.755 -4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.218 15.407 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.468 15.659 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.959 15.007 -0.945 1.00 0.00 H new ATOM 375 N GLY A 24 4.315 20.239 -3.852 1.00 0.00 N ATOM 376 CA GLY A 24 5.180 21.129 -3.115 1.00 0.00 C ATOM 377 C GLY A 24 6.602 21.151 -3.611 1.00 0.00 C ATOM 378 O GLY A 24 6.916 21.827 -4.594 1.00 0.00 O ATOM 0 H GLY A 24 3.616 20.707 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.773 22.139 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.177 20.836 -2.065 1.00 0.00 H new ATOM 382 N GLU A 25 7.454 20.418 -2.944 1.00 0.00 N ATOM 383 CA GLU A 25 8.876 20.401 -3.254 1.00 0.00 C ATOM 384 C GLU A 25 9.290 19.020 -3.705 1.00 0.00 C ATOM 385 O GLU A 25 10.473 18.752 -3.927 1.00 0.00 O ATOM 386 CB GLU A 25 9.667 20.706 -1.997 1.00 0.00 C ATOM 387 CG GLU A 25 9.300 21.975 -1.275 1.00 0.00 C ATOM 388 CD GLU A 25 10.063 22.097 0.014 1.00 0.00 C ATOM 389 OE1 GLU A 25 9.783 21.323 0.961 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.974 22.938 0.105 1.00 0.00 O ATOM 0 H GLU A 25 7.190 19.812 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 25 9.066 21.137 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.548 19.871 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.724 20.754 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.512 22.835 -1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.229 21.986 -1.071 1.00 0.00 H new ATOM 397 N ASN A 26 8.336 18.147 -3.843 1.00 0.00 N ATOM 398 CA ASN A 26 8.653 16.752 -4.058 1.00 0.00 C ATOM 399 C ASN A 26 7.744 16.154 -5.068 1.00 0.00 C ATOM 400 O ASN A 26 6.646 16.657 -5.333 1.00 0.00 O ATOM 401 CB ASN A 26 8.486 15.917 -2.763 1.00 0.00 C ATOM 402 CG ASN A 26 8.216 16.732 -1.512 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.121 17.076 -0.756 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.975 17.092 -1.316 1.00 0.00 N ATOM 0 H ASN A 26 7.340 18.365 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 26 9.690 16.727 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.667 15.212 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.390 15.328 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.734 17.676 -0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.248 16.789 -1.964 1.00 0.00 H new ATOM 411 N LEU A 27 8.182 15.076 -5.602 1.00 0.00 N ATOM 412 CA LEU A 27 7.405 14.299 -6.479 1.00 0.00 C ATOM 413 C LEU A 27 6.972 13.104 -5.693 1.00 0.00 C ATOM 414 O LEU A 27 7.798 12.472 -5.029 1.00 0.00 O ATOM 415 CB LEU A 27 8.232 13.841 -7.643 1.00 0.00 C ATOM 416 CG LEU A 27 7.456 13.133 -8.712 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.597 14.110 -9.460 1.00 0.00 C ATOM 418 CD2 LEU A 27 8.382 12.399 -9.621 1.00 0.00 C ATOM 0 H LEU A 27 9.116 14.703 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 27 6.562 14.871 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.728 14.706 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.015 13.176 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 27 6.796 12.398 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.038 13.585 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.901 14.586 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.228 14.870 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.806 11.889 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.069 13.105 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.949 11.666 -9.048 1.00 0.00 H new ATOM 430 N ILE A 28 5.711 12.837 -5.673 1.00 0.00 N ATOM 431 CA ILE A 28 5.218 11.728 -4.915 1.00 0.00 C ATOM 432 C ILE A 28 4.234 10.931 -5.756 1.00 0.00 C ATOM 433 O ILE A 28 3.822 11.373 -6.829 1.00 0.00 O ATOM 434 CB ILE A 28 4.494 12.181 -3.606 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.952 13.595 -3.181 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.750 11.173 -2.483 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.446 14.050 -1.844 1.00 0.00 C ATOM 0 H ILE A 28 4.998 13.369 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 28 6.080 11.120 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 28 3.423 12.220 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.042 13.619 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.627 14.309 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.240 11.500 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.371 10.195 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.821 11.105 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.821 15.052 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.356 14.065 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.793 13.364 -1.071 1.00 0.00 H new ATOM 449 N LEU A 29 3.867 9.768 -5.271 1.00 0.00 N ATOM 450 CA LEU A 29 2.878 8.948 -5.930 1.00 0.00 C ATOM 451 C LEU A 29 1.492 9.252 -5.357 1.00 0.00 C ATOM 452 O LEU A 29 0.485 8.673 -5.768 1.00 0.00 O ATOM 453 CB LEU A 29 3.188 7.458 -5.749 1.00 0.00 C ATOM 454 CG LEU A 29 4.557 6.946 -6.216 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.613 5.440 -6.110 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.918 7.408 -7.621 1.00 0.00 C ATOM 0 H LEU A 29 4.243 9.365 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 29 2.899 9.179 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.087 7.222 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.421 6.891 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 29 5.305 7.381 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.589 5.088 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.455 5.142 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.836 5.002 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.897 7.013 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.171 7.045 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.945 8.497 -7.650 1.00 0.00 H new ATOM 468 N GLY A 30 1.451 10.133 -4.387 1.00 0.00 N ATOM 469 CA GLY A 30 0.222 10.517 -3.792 1.00 0.00 C ATOM 470 C GLY A 30 -0.091 9.768 -2.506 1.00 0.00 C ATOM 471 O GLY A 30 -0.657 10.328 -1.569 1.00 0.00 O ATOM 0 H GLY A 30 2.273 10.595 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.247 11.586 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.585 10.351 -4.505 1.00 0.00 H new ATOM 475 N PHE A 31 0.252 8.520 -2.449 1.00 0.00 N ATOM 476 CA PHE A 31 -0.074 7.728 -1.295 1.00 0.00 C ATOM 477 C PHE A 31 1.124 7.550 -0.327 1.00 0.00 C ATOM 478 O PHE A 31 2.277 7.860 -0.670 1.00 0.00 O ATOM 479 CB PHE A 31 -0.642 6.385 -1.747 1.00 0.00 C ATOM 480 CG PHE A 31 0.343 5.496 -2.408 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.596 5.613 -3.745 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.007 4.536 -1.684 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.500 4.791 -4.359 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.914 3.708 -2.284 1.00 0.00 C ATOM 485 CZ PHE A 31 2.167 3.833 -3.629 1.00 0.00 C ATOM 0 H PHE A 31 0.757 8.024 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.831 8.263 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.055 5.869 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.468 6.566 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.077 6.363 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.810 4.434 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.691 4.893 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.430 2.958 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.884 3.184 -4.110 1.00 0.00 H new ATOM 495 N SER A 32 0.817 7.054 0.862 1.00 0.00 N ATOM 496 CA SER A 32 1.761 6.795 1.930 1.00 0.00 C ATOM 497 C SER A 32 1.569 5.367 2.440 1.00 0.00 C ATOM 498 O SER A 32 0.553 4.753 2.157 1.00 0.00 O ATOM 499 CB SER A 32 1.494 7.757 3.054 1.00 0.00 C ATOM 500 OG SER A 32 1.610 9.111 2.610 1.00 0.00 O ATOM 0 H SER A 32 -0.140 6.811 1.116 1.00 0.00 H new ATOM 0 HA SER A 32 2.780 6.918 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.494 7.586 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.197 7.576 3.867 1.00 0.00 H new ATOM 0 HG SER A 32 1.430 9.717 3.359 1.00 0.00 H new ATOM 506 N ILE A 33 2.490 4.870 3.249 1.00 0.00 N ATOM 507 CA ILE A 33 2.467 3.474 3.657 1.00 0.00 C ATOM 508 C ILE A 33 2.451 3.341 5.160 1.00 0.00 C ATOM 509 O ILE A 33 2.638 4.323 5.889 1.00 0.00 O ATOM 510 CB ILE A 33 3.687 2.702 3.102 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.971 2.998 3.901 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.874 3.049 1.652 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.216 2.340 3.359 1.00 0.00 C ATOM 0 H ILE A 33 3.263 5.412 3.636 1.00 0.00 H new ATOM 0 HA ILE A 33 1.553 3.045 3.246 1.00 0.00 H new ATOM 0 HB ILE A 33 3.491 1.634 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.127 4.076 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.824 2.674 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.733 2.507 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.980 2.771 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.044 4.121 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.069 2.604 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.086 1.258 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.394 2.682 2.339 1.00 0.00 H new ATOM 525 N GLY A 34 2.224 2.143 5.621 1.00 0.00 N ATOM 526 CA GLY A 34 2.231 1.898 7.031 1.00 0.00 C ATOM 527 C GLY A 34 3.357 1.012 7.397 1.00 0.00 C ATOM 528 O GLY A 34 3.821 1.009 8.524 1.00 0.00 O ATOM 0 H GLY A 34 2.033 1.326 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.313 2.842 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.288 1.441 7.331 1.00 0.00 H new ATOM 532 N GLY A 35 3.839 0.294 6.433 1.00 0.00 N ATOM 533 CA GLY A 35 4.888 -0.614 6.680 1.00 0.00 C ATOM 534 C GLY A 35 4.494 -1.979 6.306 1.00 0.00 C ATOM 535 O GLY A 35 3.344 -2.206 5.944 1.00 0.00 O ATOM 0 H GLY A 35 3.514 0.327 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.772 -0.318 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.159 -0.585 7.735 1.00 0.00 H new ATOM 539 N GLY A 36 5.441 -2.867 6.318 1.00 0.00 N ATOM 540 CA GLY A 36 5.160 -4.201 5.966 1.00 0.00 C ATOM 541 C GLY A 36 5.540 -5.186 7.009 1.00 0.00 C ATOM 542 O GLY A 36 4.884 -5.302 8.037 1.00 0.00 O ATOM 0 H GLY A 36 6.412 -2.680 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.094 -4.296 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.686 -4.442 5.042 1.00 0.00 H new ATOM 546 N ILE A 37 6.615 -5.883 6.755 1.00 0.00 N ATOM 547 CA ILE A 37 7.057 -6.970 7.616 1.00 0.00 C ATOM 548 C ILE A 37 7.740 -6.438 8.846 1.00 0.00 C ATOM 549 O ILE A 37 7.809 -7.093 9.869 1.00 0.00 O ATOM 550 CB ILE A 37 8.050 -7.941 6.899 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.485 -7.328 6.768 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.503 -8.355 5.532 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.625 -6.149 5.893 1.00 0.00 C ATOM 0 H ILE A 37 7.216 -5.720 5.947 1.00 0.00 H new ATOM 0 HA ILE A 37 6.155 -7.520 7.883 1.00 0.00 H new ATOM 0 HB ILE A 37 8.142 -8.831 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.830 -7.055 7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.155 -8.106 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.208 -9.031 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.546 -8.860 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.365 -7.469 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.665 -5.821 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.322 -6.410 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.992 -5.343 6.265 1.00 0.00 H new ATOM 565 N ASP A 38 8.246 -5.240 8.718 1.00 0.00 N ATOM 566 CA ASP A 38 9.025 -4.609 9.704 1.00 0.00 C ATOM 567 C ASP A 38 8.153 -3.887 10.712 1.00 0.00 C ATOM 568 O ASP A 38 8.630 -3.170 11.601 1.00 0.00 O ATOM 569 CB ASP A 38 9.910 -3.702 8.940 1.00 0.00 C ATOM 570 CG ASP A 38 9.224 -2.582 8.252 1.00 0.00 C ATOM 571 OD1 ASP A 38 8.192 -2.799 7.528 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.702 -1.474 8.350 1.00 0.00 O ATOM 0 H ASP A 38 8.111 -4.669 7.883 1.00 0.00 H new ATOM 0 HA ASP A 38 9.605 -5.308 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.654 -3.288 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.450 -4.288 8.196 1.00 0.00 H new ATOM 577 N GLN A 39 6.886 -4.050 10.519 1.00 0.00 N ATOM 578 CA GLN A 39 5.860 -3.577 11.432 1.00 0.00 C ATOM 579 C GLN A 39 5.283 -4.805 12.134 1.00 0.00 C ATOM 580 O GLN A 39 5.319 -5.900 11.573 1.00 0.00 O ATOM 581 CB GLN A 39 4.743 -2.910 10.642 1.00 0.00 C ATOM 582 CG GLN A 39 5.225 -2.086 9.534 1.00 0.00 C ATOM 583 CD GLN A 39 6.136 -0.998 9.983 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.162 -0.845 9.248 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 5.969 -0.404 11.056 1.00 0.00 N flip ATOM 0 H GLN A 39 6.509 -4.529 9.701 1.00 0.00 H new ATOM 0 HA GLN A 39 6.278 -2.864 12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.077 -3.678 10.250 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.152 -2.289 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.747 -2.719 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.373 -1.649 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.124 -0.568 11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.676 0.249 11.393 1.00 0.00 H new ATOM 594 N ASP A 40 4.711 -4.636 13.304 1.00 0.00 N ATOM 595 CA ASP A 40 4.177 -5.800 14.039 1.00 0.00 C ATOM 596 C ASP A 40 2.699 -5.865 13.816 1.00 0.00 C ATOM 597 O ASP A 40 1.996 -4.945 14.222 1.00 0.00 O ATOM 598 CB ASP A 40 4.371 -5.704 15.542 1.00 0.00 C ATOM 599 CG ASP A 40 4.311 -7.075 16.197 1.00 0.00 C ATOM 600 OD1 ASP A 40 3.212 -7.621 16.380 1.00 0.00 O ATOM 601 OD2 ASP A 40 5.375 -7.656 16.513 1.00 0.00 O ATOM 0 H ASP A 40 4.597 -3.737 13.772 1.00 0.00 H new ATOM 0 HA ASP A 40 4.715 -6.673 13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.332 -5.238 15.757 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.602 -5.061 15.969 1.00 0.00 H new ATOM 606 N PRO A 41 2.182 -6.952 13.211 1.00 0.00 N ATOM 607 CA PRO A 41 0.756 -7.078 12.861 1.00 0.00 C ATOM 608 C PRO A 41 -0.180 -6.893 14.050 1.00 0.00 C ATOM 609 O PRO A 41 -1.311 -6.449 13.894 1.00 0.00 O ATOM 610 CB PRO A 41 0.629 -8.492 12.280 1.00 0.00 C ATOM 611 CG PRO A 41 1.881 -9.196 12.669 1.00 0.00 C ATOM 612 CD PRO A 41 2.939 -8.143 12.822 1.00 0.00 C ATOM 0 HA PRO A 41 0.460 -6.296 12.162 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.248 -9.002 12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.516 -8.462 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.743 -9.744 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.167 -9.924 11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.672 -8.418 13.580 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.486 -7.985 11.892 1.00 0.00 H new ATOM 620 N SER A 42 0.329 -7.161 15.235 1.00 0.00 N ATOM 621 CA SER A 42 -0.447 -7.060 16.455 1.00 0.00 C ATOM 622 C SER A 42 -0.716 -5.575 16.806 1.00 0.00 C ATOM 623 O SER A 42 -1.587 -5.261 17.608 1.00 0.00 O ATOM 624 CB SER A 42 0.335 -7.736 17.566 1.00 0.00 C ATOM 625 OG SER A 42 0.987 -8.907 17.058 1.00 0.00 O ATOM 0 H SER A 42 1.295 -7.456 15.380 1.00 0.00 H new ATOM 0 HA SER A 42 -1.413 -7.548 16.326 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.073 -7.046 17.975 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.335 -8.007 18.382 1.00 0.00 H new ATOM 0 HG SER A 42 1.902 -8.681 16.788 1.00 0.00 H new ATOM 631 N GLN A 43 0.059 -4.673 16.198 1.00 0.00 N ATOM 632 CA GLN A 43 -0.093 -3.246 16.415 1.00 0.00 C ATOM 633 C GLN A 43 -0.100 -2.479 15.096 1.00 0.00 C ATOM 634 O GLN A 43 0.264 -1.307 15.041 1.00 0.00 O ATOM 635 CB GLN A 43 0.983 -2.680 17.377 1.00 0.00 C ATOM 636 CG GLN A 43 2.426 -3.006 17.069 1.00 0.00 C ATOM 637 CD GLN A 43 3.024 -3.997 18.051 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.240 -4.920 18.517 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.210 -3.940 18.354 1.00 0.00 N flip ATOM 0 H GLN A 43 0.804 -4.918 15.546 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.062 -3.105 16.895 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.879 -1.595 17.399 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.762 -3.042 18.381 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.495 -3.413 16.060 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.013 -2.088 17.083 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.800 -3.201 17.970 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.608 -4.631 18.990 1.00 0.00 H new ATOM 648 N ASN A 44 -0.549 -3.119 14.047 1.00 0.00 N ATOM 649 CA ASN A 44 -0.614 -2.474 12.748 1.00 0.00 C ATOM 650 C ASN A 44 -2.031 -2.137 12.383 1.00 0.00 C ATOM 651 O ASN A 44 -2.928 -2.899 12.675 1.00 0.00 O ATOM 652 CB ASN A 44 -0.042 -3.351 11.678 1.00 0.00 C ATOM 653 CG ASN A 44 1.452 -3.460 11.691 1.00 0.00 C ATOM 654 OD1 ASN A 44 2.154 -2.560 12.157 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.964 -4.539 11.119 1.00 0.00 N ATOM 0 H ASN A 44 -0.876 -4.085 14.060 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.027 -1.559 12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.467 -4.350 11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.357 -2.969 10.707 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.976 -4.649 11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.347 -5.260 10.746 1.00 0.00 H new ATOM 662 N PRO A 45 -2.236 -1.033 11.655 1.00 0.00 N ATOM 663 CA PRO A 45 -3.570 -0.545 11.309 1.00 0.00 C ATOM 664 C PRO A 45 -4.325 -1.502 10.384 1.00 0.00 C ATOM 665 O PRO A 45 -5.459 -1.894 10.654 1.00 0.00 O ATOM 666 CB PRO A 45 -3.276 0.779 10.588 1.00 0.00 C ATOM 667 CG PRO A 45 -1.886 0.640 10.078 1.00 0.00 C ATOM 668 CD PRO A 45 -1.172 -0.169 11.097 1.00 0.00 C ATOM 0 HA PRO A 45 -4.209 -0.443 12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.980 0.949 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.364 1.626 11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.872 0.148 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.415 1.615 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.369 -0.757 10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.720 0.459 11.865 1.00 0.00 H new ATOM 676 N PHE A 46 -3.685 -1.898 9.307 1.00 0.00 N ATOM 677 CA PHE A 46 -4.330 -2.739 8.330 1.00 0.00 C ATOM 678 C PHE A 46 -3.815 -4.157 8.396 1.00 0.00 C ATOM 679 O PHE A 46 -4.217 -5.016 7.613 1.00 0.00 O ATOM 680 CB PHE A 46 -4.173 -2.130 6.935 1.00 0.00 C ATOM 681 CG PHE A 46 -4.742 -0.741 6.861 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.097 -0.544 6.662 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.927 0.368 7.027 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.626 0.727 6.626 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.454 1.639 6.997 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.801 1.818 6.796 1.00 0.00 C ATOM 0 H PHE A 46 -2.720 -1.651 9.088 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.395 -2.790 8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.117 -2.104 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.672 -2.766 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.747 -1.397 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.867 0.233 7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.685 0.869 6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.809 2.495 7.131 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.214 2.815 6.771 1.00 0.00 H new ATOM 696 N SER A 47 -2.973 -4.410 9.360 1.00 0.00 N ATOM 697 CA SER A 47 -2.400 -5.729 9.512 1.00 0.00 C ATOM 698 C SER A 47 -2.889 -6.353 10.822 1.00 0.00 C ATOM 699 O SER A 47 -2.497 -7.445 11.186 1.00 0.00 O ATOM 700 CB SER A 47 -0.884 -5.657 9.481 1.00 0.00 C ATOM 701 OG SER A 47 -0.292 -6.879 9.061 1.00 0.00 O ATOM 0 H SER A 47 -2.666 -3.727 10.052 1.00 0.00 H new ATOM 0 HA SER A 47 -2.722 -6.357 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.575 -4.857 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.515 -5.400 10.474 1.00 0.00 H new ATOM 0 HG SER A 47 0.683 -6.785 9.055 1.00 0.00 H new ATOM 782 N LYS A 53 1.839 -9.868 6.515 1.00 0.00 N ATOM 783 CA LYS A 53 2.510 -8.590 6.458 1.00 0.00 C ATOM 784 C LYS A 53 2.812 -8.156 5.024 1.00 0.00 C ATOM 785 O LYS A 53 2.429 -8.819 4.059 1.00 0.00 O ATOM 786 CB LYS A 53 3.775 -8.608 7.314 1.00 0.00 C ATOM 787 CG LYS A 53 3.503 -8.943 8.777 1.00 0.00 C ATOM 788 CD LYS A 53 4.749 -8.832 9.646 1.00 0.00 C ATOM 789 CE LYS A 53 5.848 -9.819 9.259 1.00 0.00 C ATOM 790 NZ LYS A 53 5.455 -11.227 9.450 1.00 0.00 N ATOM 0 HA LYS A 53 1.828 -7.846 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.473 -9.338 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.260 -7.634 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.735 -8.272 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.106 -9.956 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.141 -7.817 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.473 -8.997 10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.118 -9.662 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.739 -9.613 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.263 -11.845 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.159 -11.374 10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.665 -11.456 8.813 1.00 0.00 H new ATOM 804 N GLY A 54 3.447 -7.030 4.898 1.00 0.00 N ATOM 805 CA GLY A 54 3.741 -6.481 3.589 1.00 0.00 C ATOM 806 C GLY A 54 3.225 -5.083 3.502 1.00 0.00 C ATOM 807 O GLY A 54 2.160 -4.840 3.976 1.00 0.00 O ATOM 0 H GLY A 54 3.776 -6.465 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.816 -6.494 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.283 -7.097 2.815 1.00 0.00 H new ATOM 811 N ILE A 55 3.997 -4.188 2.908 1.00 0.00 N ATOM 812 CA ILE A 55 3.702 -2.748 2.832 1.00 0.00 C ATOM 813 C ILE A 55 2.291 -2.466 2.326 1.00 0.00 C ATOM 814 O ILE A 55 1.866 -2.947 1.277 1.00 0.00 O ATOM 815 CB ILE A 55 4.740 -2.008 1.932 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.166 -2.229 2.444 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.443 -0.507 1.833 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.493 -1.530 3.741 1.00 0.00 C ATOM 0 H ILE A 55 4.873 -4.440 2.450 1.00 0.00 H new ATOM 0 HA ILE A 55 3.773 -2.368 3.851 1.00 0.00 H new ATOM 0 HB ILE A 55 4.654 -2.434 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.327 -3.299 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.867 -1.892 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.189 -0.030 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.452 -0.360 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.476 -0.063 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.524 -1.747 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.370 -0.454 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.822 -1.883 4.524 1.00 0.00 H new ATOM 830 N TYR A 56 1.566 -1.727 3.102 1.00 0.00 N ATOM 831 CA TYR A 56 0.253 -1.314 2.749 1.00 0.00 C ATOM 832 C TYR A 56 0.156 0.155 2.865 1.00 0.00 C ATOM 833 O TYR A 56 0.928 0.781 3.595 1.00 0.00 O ATOM 834 CB TYR A 56 -0.820 -2.010 3.594 1.00 0.00 C ATOM 835 CG TYR A 56 -0.355 -2.288 4.985 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.263 -1.297 5.947 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.059 -3.544 5.304 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.224 -1.586 7.196 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.552 -3.851 6.522 1.00 0.00 C ATOM 840 CZ TYR A 56 0.631 -2.868 7.477 1.00 0.00 C ATOM 841 OH TYR A 56 1.121 -3.157 8.698 1.00 0.00 O ATOM 0 H TYR A 56 1.878 -1.390 4.013 1.00 0.00 H new ATOM 0 HA TYR A 56 0.067 -1.608 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.713 -1.385 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.105 -2.947 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.577 -0.290 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.009 -4.321 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.287 -0.815 7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.880 -4.856 6.742 1.00 0.00 H new ATOM 0 HH TYR A 56 1.117 -2.349 9.252 1.00 0.00 H new ATOM 851 N VAL A 57 -0.766 0.688 2.156 1.00 0.00 N ATOM 852 CA VAL A 57 -0.998 2.087 2.107 1.00 0.00 C ATOM 853 C VAL A 57 -1.834 2.526 3.291 1.00 0.00 C ATOM 854 O VAL A 57 -2.784 1.842 3.660 1.00 0.00 O ATOM 855 CB VAL A 57 -1.725 2.431 0.808 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.010 3.883 0.721 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.911 1.995 -0.372 1.00 0.00 C ATOM 0 H VAL A 57 -1.404 0.147 1.572 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.041 2.608 2.144 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.676 1.898 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.528 4.097 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.638 4.181 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.074 4.440 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.440 2.246 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.053 2.504 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.753 0.917 -0.327 1.00 0.00 H new ATOM 867 N THR A 58 -1.471 3.629 3.888 1.00 0.00 N ATOM 868 CA THR A 58 -2.208 4.165 5.002 1.00 0.00 C ATOM 869 C THR A 58 -2.922 5.464 4.619 1.00 0.00 C ATOM 870 O THR A 58 -3.908 5.867 5.245 1.00 0.00 O ATOM 871 CB THR A 58 -1.254 4.399 6.153 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.083 5.065 5.634 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.879 3.067 6.792 1.00 0.00 C ATOM 0 H THR A 58 -0.657 4.181 3.617 1.00 0.00 H new ATOM 0 HA THR A 58 -2.975 3.450 5.301 1.00 0.00 H new ATOM 0 HB THR A 58 -1.720 5.019 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.550 5.229 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.192 3.241 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.778 2.576 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.398 2.430 6.050 1.00 0.00 H new ATOM 881 N ARG A 59 -2.420 6.105 3.590 1.00 0.00 N ATOM 882 CA ARG A 59 -2.989 7.326 3.077 1.00 0.00 C ATOM 883 C ARG A 59 -2.875 7.361 1.590 1.00 0.00 C ATOM 884 O ARG A 59 -1.854 6.999 1.063 1.00 0.00 O ATOM 885 CB ARG A 59 -2.278 8.539 3.657 1.00 0.00 C ATOM 886 CG ARG A 59 -2.782 8.999 5.007 1.00 0.00 C ATOM 887 CD ARG A 59 -4.220 9.464 4.913 1.00 0.00 C ATOM 888 NE ARG A 59 -4.748 9.903 6.194 1.00 0.00 N ATOM 889 CZ ARG A 59 -5.826 10.670 6.343 1.00 0.00 C ATOM 890 NH1 ARG A 59 -6.500 11.111 5.264 1.00 0.00 N ATOM 891 NH2 ARG A 59 -6.238 10.990 7.557 1.00 0.00 N ATOM 0 H ARG A 59 -1.595 5.788 3.080 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.039 7.355 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.216 8.310 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.370 9.365 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.705 8.184 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.156 9.811 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.288 10.282 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.837 8.652 4.529 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.259 9.603 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.185 10.858 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.325 11.698 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.731 10.650 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.063 11.577 7.677 1.00 0.00 H new ATOM 905 N VAL A 60 -3.925 7.759 0.923 1.00 0.00 N ATOM 906 CA VAL A 60 -3.914 7.909 -0.512 1.00 0.00 C ATOM 907 C VAL A 60 -4.426 9.294 -0.856 1.00 0.00 C ATOM 908 O VAL A 60 -5.338 9.804 -0.185 1.00 0.00 O ATOM 909 CB VAL A 60 -4.779 6.823 -1.258 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.880 7.098 -2.717 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.230 5.454 -1.071 1.00 0.00 C ATOM 0 H VAL A 60 -4.817 7.990 1.359 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.887 7.771 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.772 6.878 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.485 6.325 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.347 8.071 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.883 7.100 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.855 4.736 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.215 5.412 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.217 5.209 -0.009 1.00 0.00 H new ATOM 921 N SER A 61 -3.793 9.912 -1.833 1.00 0.00 N ATOM 922 CA SER A 61 -4.203 11.159 -2.374 1.00 0.00 C ATOM 923 C SER A 61 -5.610 11.091 -2.895 1.00 0.00 C ATOM 924 O SER A 61 -5.842 10.456 -3.910 1.00 0.00 O ATOM 925 CB SER A 61 -3.306 11.484 -3.528 1.00 0.00 C ATOM 926 OG SER A 61 -2.149 12.168 -3.139 1.00 0.00 O ATOM 0 H SER A 61 -2.955 9.535 -2.275 1.00 0.00 H new ATOM 0 HA SER A 61 -4.151 11.913 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.024 10.561 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.855 12.089 -4.250 1.00 0.00 H new ATOM 0 HG SER A 61 -1.678 12.494 -3.935 1.00 0.00 H new ATOM 932 N GLU A 62 -6.512 11.799 -2.245 1.00 0.00 N ATOM 933 CA GLU A 62 -7.934 11.818 -2.598 1.00 0.00 C ATOM 934 C GLU A 62 -8.195 12.450 -3.962 1.00 0.00 C ATOM 935 O GLU A 62 -9.300 12.373 -4.501 1.00 0.00 O ATOM 936 CB GLU A 62 -8.720 12.547 -1.532 1.00 0.00 C ATOM 937 CG GLU A 62 -8.246 13.953 -1.256 1.00 0.00 C ATOM 938 CD GLU A 62 -9.010 14.592 -0.138 1.00 0.00 C ATOM 939 OE1 GLU A 62 -8.780 14.225 1.032 1.00 0.00 O ATOM 940 OE2 GLU A 62 -9.846 15.480 -0.408 1.00 0.00 O ATOM 0 H GLU A 62 -6.284 12.388 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.262 10.780 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.767 12.583 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.672 11.973 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.185 13.936 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.352 14.555 -2.158 1.00 0.00 H new ATOM 947 N GLY A 63 -7.203 13.075 -4.489 1.00 0.00 N ATOM 948 CA GLY A 63 -7.299 13.690 -5.780 1.00 0.00 C ATOM 949 C GLY A 63 -6.036 13.490 -6.558 1.00 0.00 C ATOM 950 O GLY A 63 -5.737 14.233 -7.504 1.00 0.00 O ATOM 0 H GLY A 63 -6.293 13.179 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.140 13.266 -6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.497 14.756 -5.666 1.00 0.00 H new ATOM 954 N GLY A 64 -5.303 12.466 -6.188 1.00 0.00 N ATOM 955 CA GLY A 64 -4.054 12.214 -6.808 1.00 0.00 C ATOM 956 C GLY A 64 -4.070 10.960 -7.634 1.00 0.00 C ATOM 957 O GLY A 64 -5.054 10.210 -7.607 1.00 0.00 O ATOM 0 H GLY A 64 -5.563 11.802 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.788 13.060 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.281 12.133 -6.044 1.00 0.00 H new ATOM 961 N PRO A 65 -2.931 10.640 -8.258 1.00 0.00 N ATOM 962 CA PRO A 65 -2.796 9.557 -9.242 1.00 0.00 C ATOM 963 C PRO A 65 -3.064 8.216 -8.632 1.00 0.00 C ATOM 964 O PRO A 65 -3.495 7.295 -9.304 1.00 0.00 O ATOM 965 CB PRO A 65 -1.324 9.623 -9.646 1.00 0.00 C ATOM 966 CG PRO A 65 -0.661 10.285 -8.496 1.00 0.00 C ATOM 967 CD PRO A 65 -1.650 11.271 -7.983 1.00 0.00 C ATOM 0 HA PRO A 65 -3.499 9.674 -10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.915 8.628 -9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.188 10.192 -10.566 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.393 9.561 -7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.261 10.778 -8.805 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.515 11.458 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.559 12.232 -8.489 1.00 0.00 H new ATOM 975 N ALA A 66 -2.809 8.133 -7.346 1.00 0.00 N ATOM 976 CA ALA A 66 -2.972 6.938 -6.598 1.00 0.00 C ATOM 977 C ALA A 66 -4.387 6.419 -6.708 1.00 0.00 C ATOM 978 O ALA A 66 -4.603 5.338 -7.260 1.00 0.00 O ATOM 979 CB ALA A 66 -2.548 7.173 -5.177 1.00 0.00 C ATOM 0 H ALA A 66 -2.475 8.921 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.331 6.159 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.674 6.255 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.501 7.474 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.162 7.961 -4.740 1.00 0.00 H new ATOM 985 N GLU A 67 -5.361 7.187 -6.282 1.00 0.00 N ATOM 986 CA GLU A 67 -6.708 6.684 -6.388 1.00 0.00 C ATOM 987 C GLU A 67 -7.341 6.984 -7.729 1.00 0.00 C ATOM 988 O GLU A 67 -8.339 6.364 -8.097 1.00 0.00 O ATOM 989 CB GLU A 67 -7.596 7.067 -5.246 1.00 0.00 C ATOM 990 CG GLU A 67 -7.736 8.530 -4.985 1.00 0.00 C ATOM 991 CD GLU A 67 -8.891 8.746 -4.051 1.00 0.00 C ATOM 992 OE1 GLU A 67 -8.731 8.625 -2.827 1.00 0.00 O ATOM 993 OE2 GLU A 67 -10.013 8.962 -4.534 1.00 0.00 O ATOM 0 H GLU A 67 -5.257 8.118 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.603 5.601 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.588 6.655 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.216 6.592 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.819 8.925 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.901 9.066 -5.920 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.761 7.934 -8.463 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.166 8.180 -9.842 1.00 0.00 C ATOM 1002 C ILE A 68 -6.926 6.910 -10.664 1.00 0.00 C ATOM 1003 O ILE A 68 -7.699 6.578 -11.576 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.424 9.419 -10.456 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -7.011 10.744 -9.921 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.370 9.405 -11.983 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.487 10.960 -10.224 1.00 0.00 C ATOM 0 H ILE A 68 -6.014 8.541 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.228 8.424 -9.863 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.388 9.344 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.868 10.778 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.443 11.573 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.843 10.291 -12.337 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.845 8.512 -12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.384 9.402 -12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.808 11.916 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.640 10.963 -11.303 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.072 10.156 -9.777 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.874 6.189 -10.315 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.610 4.917 -10.936 1.00 0.00 C ATOM 1021 C ALA A 69 -6.472 3.840 -10.276 1.00 0.00 C ATOM 1022 O ALA A 69 -7.261 3.174 -10.945 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.136 4.572 -10.861 1.00 0.00 C ATOM 0 H ALA A 69 -5.195 6.468 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.871 4.973 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.964 3.607 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.556 5.339 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.827 4.522 -9.817 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.349 3.691 -8.963 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.173 2.713 -8.272 1.00 0.00 C ATOM 1031 C GLY A 70 -6.582 2.217 -6.963 1.00 0.00 C ATOM 1032 O GLY A 70 -6.914 1.123 -6.512 1.00 0.00 O ATOM 0 H GLY A 70 -5.707 4.218 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.150 3.153 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.335 1.860 -8.931 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.699 2.999 -6.375 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.085 2.664 -5.103 1.00 0.00 C ATOM 1038 C LEU A 71 -5.914 3.185 -3.952 1.00 0.00 C ATOM 1039 O LEU A 71 -6.204 4.387 -3.863 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.658 3.235 -5.057 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.817 3.051 -3.788 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.076 1.680 -3.187 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.390 3.051 -4.221 1.00 0.00 C ATOM 0 H LEU A 71 -5.385 3.887 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.035 1.579 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.102 2.795 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.727 4.305 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.055 3.833 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.475 1.558 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.132 1.587 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.807 0.909 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.746 2.922 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.222 2.233 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.157 3.998 -4.708 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.336 2.296 -3.104 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.075 2.660 -1.948 1.00 0.00 C ATOM 1057 C GLN A 72 -6.204 2.416 -0.707 1.00 0.00 C ATOM 1058 O GLN A 72 -5.158 1.761 -0.763 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.357 1.832 -1.834 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.174 1.619 -3.127 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.774 2.852 -3.816 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.049 3.934 -3.931 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.871 2.754 -4.381 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.173 1.294 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.350 3.712 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.093 0.852 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.005 2.311 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.531 1.114 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.991 0.936 -2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.423 1.902 -4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.223 3.525 -4.948 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.604 2.976 0.372 1.00 0.00 N ATOM 1073 CA ILE A 73 -5.943 2.789 1.645 1.00 0.00 C ATOM 1074 C ILE A 73 -6.156 1.345 2.164 1.00 0.00 C ATOM 1075 O ILE A 73 -7.278 0.833 2.154 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.479 3.816 2.666 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.169 5.235 2.197 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -5.895 3.575 4.037 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.724 6.311 3.091 1.00 0.00 C ATOM 0 H ILE A 73 -7.415 3.593 0.416 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.872 2.946 1.513 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.560 3.695 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.088 5.356 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.569 5.370 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.290 4.313 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.163 2.574 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.810 3.664 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.461 7.289 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.809 6.219 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.305 6.205 4.092 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.071 0.710 2.617 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.136 -0.659 3.117 1.00 0.00 C ATOM 1093 C GLY A 74 -5.064 -1.690 1.997 1.00 0.00 C ATOM 1094 O GLY A 74 -5.326 -2.867 2.213 1.00 0.00 O ATOM 0 H GLY A 74 -4.140 1.125 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.316 -0.827 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.063 -0.796 3.674 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.671 -1.243 0.811 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.661 -2.091 -0.406 1.00 0.00 C ATOM 1100 C ASP A 75 -3.616 -3.189 -0.488 1.00 0.00 C ATOM 1101 O ASP A 75 -3.578 -3.880 -1.481 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.683 -1.266 -1.681 1.00 0.00 C ATOM 1103 CG ASP A 75 -6.083 -1.037 -2.198 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -7.058 -1.491 -1.553 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -6.233 -0.403 -3.261 1.00 0.00 O ATOM 0 H ASP A 75 -4.349 -0.289 0.651 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.597 -2.640 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.206 -0.304 -1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.095 -1.771 -2.447 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.778 -3.354 0.551 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.790 -4.470 0.606 1.00 0.00 C ATOM 1112 C LYS A 76 -0.971 -4.628 -0.685 1.00 0.00 C ATOM 1113 O LYS A 76 -1.333 -5.413 -1.587 1.00 0.00 O ATOM 1114 CB LYS A 76 -2.508 -5.775 0.949 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.850 -5.951 2.421 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.668 -6.509 3.202 1.00 0.00 C ATOM 1117 CE LYS A 76 -1.363 -7.946 2.766 1.00 0.00 C ATOM 1118 NZ LYS A 76 -0.221 -8.512 3.484 1.00 0.00 N ATOM 0 H LYS A 76 -2.757 -2.738 1.364 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.072 -4.220 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.429 -5.829 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.883 -6.610 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.148 -4.992 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.703 -6.622 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.791 -5.881 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.887 -6.486 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.241 -8.569 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.161 -7.964 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.156 -9.531 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.653 -8.041 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.347 -8.367 4.506 1.00 0.00 H new ATOM 1132 N ILE A 77 0.109 -3.913 -0.772 1.00 0.00 N ATOM 1133 CA ILE A 77 0.894 -3.886 -1.968 1.00 0.00 C ATOM 1134 C ILE A 77 1.820 -5.072 -1.988 1.00 0.00 C ATOM 1135 O ILE A 77 2.613 -5.265 -1.075 1.00 0.00 O ATOM 1136 CB ILE A 77 1.729 -2.634 -2.009 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.863 -1.433 -1.693 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.320 -2.492 -3.399 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.647 -0.307 -1.143 1.00 0.00 C ATOM 0 H ILE A 77 0.471 -3.332 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 77 0.223 -3.913 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 77 2.529 -2.694 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.351 -1.108 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.093 -1.721 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.928 -1.589 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.941 -3.360 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.515 -2.425 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.982 0.531 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.138 -0.621 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.400 0.001 -1.869 1.00 0.00 H new ATOM 1151 N MET A 78 1.739 -5.855 -3.019 1.00 0.00 N ATOM 1152 CA MET A 78 2.534 -7.056 -3.094 1.00 0.00 C ATOM 1153 C MET A 78 3.664 -6.868 -4.103 1.00 0.00 C ATOM 1154 O MET A 78 4.693 -7.538 -4.039 1.00 0.00 O ATOM 1155 CB MET A 78 1.668 -8.263 -3.508 1.00 0.00 C ATOM 1156 CG MET A 78 0.405 -8.571 -2.653 1.00 0.00 C ATOM 1157 SD MET A 78 0.676 -9.300 -0.990 1.00 0.00 S ATOM 1158 CE MET A 78 1.263 -7.919 -0.012 1.00 0.00 C ATOM 0 H MET A 78 1.133 -5.690 -3.823 1.00 0.00 H new ATOM 0 HA MET A 78 2.953 -7.251 -2.107 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.347 -8.108 -4.538 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.302 -9.149 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.153 -7.643 -2.528 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.230 -9.251 -3.221 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.072 -8.113 1.043 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.334 -7.791 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.741 -7.011 -0.314 1.00 0.00 H new ATOM 1168 N GLN A 79 3.503 -5.902 -4.977 1.00 0.00 N ATOM 1169 CA GLN A 79 4.402 -5.706 -6.084 1.00 0.00 C ATOM 1170 C GLN A 79 4.387 -4.236 -6.524 1.00 0.00 C ATOM 1171 O GLN A 79 3.341 -3.642 -6.654 1.00 0.00 O ATOM 1172 CB GLN A 79 3.964 -6.684 -7.193 1.00 0.00 C ATOM 1173 CG GLN A 79 4.617 -6.566 -8.559 1.00 0.00 C ATOM 1174 CD GLN A 79 6.123 -6.565 -8.541 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.690 -5.412 -8.590 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 6.764 -7.585 -8.568 1.00 0.00 N flip ATOM 0 H GLN A 79 2.739 -5.227 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 79 5.437 -5.918 -5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.136 -7.697 -6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.888 -6.572 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.276 -7.393 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.273 -5.647 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.289 -8.487 -8.528 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.781 -7.547 -8.631 1.00 0.00 H new ATOM 1185 N VAL A 80 5.575 -3.652 -6.685 1.00 0.00 N ATOM 1186 CA VAL A 80 5.747 -2.248 -7.088 1.00 0.00 C ATOM 1187 C VAL A 80 6.804 -2.139 -8.166 1.00 0.00 C ATOM 1188 O VAL A 80 7.945 -2.489 -7.933 1.00 0.00 O ATOM 1189 CB VAL A 80 6.210 -1.366 -5.886 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.609 0.051 -6.311 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.143 -1.311 -4.842 1.00 0.00 C ATOM 0 H VAL A 80 6.457 -4.143 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 80 4.781 -1.899 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 80 7.101 -1.837 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.922 0.619 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.433 -0.001 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.757 0.544 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.480 -0.693 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.237 -0.882 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.933 -2.319 -4.483 1.00 0.00 H new ATOM 1201 N ASN A 81 6.382 -1.747 -9.345 1.00 0.00 N ATOM 1202 CA ASN A 81 7.245 -1.394 -10.497 1.00 0.00 C ATOM 1203 C ASN A 81 8.318 -2.476 -10.820 1.00 0.00 C ATOM 1204 O ASN A 81 9.376 -2.175 -11.357 1.00 0.00 O ATOM 1205 CB ASN A 81 7.908 -0.044 -10.214 1.00 0.00 C ATOM 1206 CG ASN A 81 8.272 0.778 -11.452 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.430 0.759 -12.482 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.275 1.465 -11.449 1.00 0.00 N flip ATOM 0 H ASN A 81 5.389 -1.654 -9.558 1.00 0.00 H new ATOM 0 HA ASN A 81 6.612 -1.335 -11.382 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.238 0.547 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.814 -0.217 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.898 1.454 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.493 2.052 -12.254 1.00 0.00 H new ATOM 1215 N GLY A 82 8.004 -3.713 -10.516 1.00 0.00 N ATOM 1216 CA GLY A 82 8.894 -4.826 -10.786 1.00 0.00 C ATOM 1217 C GLY A 82 9.831 -5.192 -9.646 1.00 0.00 C ATOM 1218 O GLY A 82 10.694 -6.033 -9.815 1.00 0.00 O ATOM 0 H GLY A 82 7.124 -3.980 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.293 -5.700 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.492 -4.588 -11.666 1.00 0.00 H new ATOM 1222 N TRP A 83 9.660 -4.587 -8.487 1.00 0.00 N ATOM 1223 CA TRP A 83 10.619 -4.846 -7.405 1.00 0.00 C ATOM 1224 C TRP A 83 10.101 -5.728 -6.210 1.00 0.00 C ATOM 1225 O TRP A 83 10.895 -6.048 -5.343 1.00 0.00 O ATOM 1226 CB TRP A 83 11.232 -3.500 -6.918 1.00 0.00 C ATOM 1227 CG TRP A 83 10.691 -2.951 -5.625 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.404 -2.668 -5.333 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.450 -2.591 -4.467 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.299 -2.188 -4.064 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.540 -2.122 -3.510 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.808 -2.629 -4.143 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 10.934 -1.693 -2.257 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.200 -2.200 -2.891 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.265 -1.737 -1.964 1.00 0.00 C ATOM 0 H TRP A 83 8.905 -3.939 -8.264 1.00 0.00 H new ATOM 0 HA TRP A 83 11.392 -5.476 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.308 -3.633 -6.809 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.080 -2.753 -7.697 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.574 -2.803 -6.011 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.430 -1.921 -3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.536 -2.986 -4.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.214 -1.336 -1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.246 -2.223 -2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.603 -1.406 -0.993 1.00 0.00 H new ATOM 1246 N ASP A 84 8.797 -6.155 -6.200 1.00 0.00 N ATOM 1247 CA ASP A 84 8.171 -6.909 -5.055 1.00 0.00 C ATOM 1248 C ASP A 84 8.043 -6.037 -3.803 1.00 0.00 C ATOM 1249 O ASP A 84 8.996 -5.383 -3.370 1.00 0.00 O ATOM 1250 CB ASP A 84 8.931 -8.195 -4.701 1.00 0.00 C ATOM 1251 CG ASP A 84 8.214 -9.080 -3.705 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.260 -8.809 -2.477 1.00 0.00 O ATOM 1253 OD2 ASP A 84 7.614 -10.095 -4.137 1.00 0.00 O ATOM 0 H ASP A 84 8.155 -5.990 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 84 7.176 -7.188 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.108 -8.763 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.908 -7.928 -4.297 1.00 0.00 H new ATOM 1258 N MET A 85 6.872 -6.018 -3.232 1.00 0.00 N ATOM 1259 CA MET A 85 6.634 -5.235 -2.039 1.00 0.00 C ATOM 1260 C MET A 85 5.962 -6.074 -0.944 1.00 0.00 C ATOM 1261 O MET A 85 5.734 -5.618 0.186 1.00 0.00 O ATOM 1262 CB MET A 85 5.869 -3.935 -2.375 1.00 0.00 C ATOM 1263 CG MET A 85 5.498 -3.095 -1.161 1.00 0.00 C ATOM 1264 SD MET A 85 5.249 -1.347 -1.504 1.00 0.00 S ATOM 1265 CE MET A 85 6.927 -0.856 -1.868 1.00 0.00 C ATOM 0 H MET A 85 6.061 -6.536 -3.570 1.00 0.00 H new ATOM 0 HA MET A 85 7.595 -4.926 -1.628 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.479 -3.332 -3.047 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.958 -4.193 -2.916 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.586 -3.499 -0.722 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.284 -3.196 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.118 0.129 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.619 -1.578 -1.436 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.069 -0.819 -2.948 1.00 0.00 H new ATOM 1275 N THR A 86 5.741 -7.330 -1.239 1.00 0.00 N ATOM 1276 CA THR A 86 5.112 -8.196 -0.267 1.00 0.00 C ATOM 1277 C THR A 86 6.085 -8.531 0.879 1.00 0.00 C ATOM 1278 O THR A 86 5.669 -8.927 1.968 1.00 0.00 O ATOM 1279 CB THR A 86 4.474 -9.468 -0.910 1.00 0.00 C ATOM 1280 OG1 THR A 86 3.943 -10.360 0.096 1.00 0.00 O ATOM 1281 CG2 THR A 86 5.458 -10.195 -1.802 1.00 0.00 C ATOM 0 H THR A 86 5.981 -7.772 -2.126 1.00 0.00 H new ATOM 0 HA THR A 86 4.276 -7.646 0.165 1.00 0.00 H new ATOM 0 HB THR A 86 3.645 -9.129 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.964 -10.322 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.979 -11.075 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.782 -9.531 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.322 -10.504 -1.214 1.00 0.00 H new ATOM 1289 N MET A 87 7.367 -8.347 0.634 1.00 0.00 N ATOM 1290 CA MET A 87 8.360 -8.513 1.659 1.00 0.00 C ATOM 1291 C MET A 87 9.405 -7.408 1.532 1.00 0.00 C ATOM 1292 O MET A 87 10.369 -7.541 0.776 1.00 0.00 O ATOM 1293 CB MET A 87 9.009 -9.907 1.583 1.00 0.00 C ATOM 1294 CG MET A 87 10.016 -10.188 2.688 1.00 0.00 C ATOM 1295 SD MET A 87 10.733 -11.849 2.607 1.00 0.00 S ATOM 1296 CE MET A 87 11.606 -11.773 1.039 1.00 0.00 C ATOM 0 H MET A 87 7.741 -8.080 -0.277 1.00 0.00 H new ATOM 0 HA MET A 87 7.881 -8.437 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.225 -10.663 1.621 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.506 -10.012 0.619 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.818 -9.452 2.634 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.529 -10.058 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.319 -12.596 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.891 -11.852 0.220 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.139 -10.825 0.965 1.00 0.00 H new ATOM 1306 N VAL A 88 9.162 -6.286 2.199 1.00 0.00 N ATOM 1307 CA VAL A 88 10.073 -5.160 2.186 1.00 0.00 C ATOM 1308 C VAL A 88 9.753 -4.267 3.369 1.00 0.00 C ATOM 1309 O VAL A 88 8.579 -4.169 3.779 1.00 0.00 O ATOM 1310 CB VAL A 88 9.995 -4.341 0.860 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.613 -3.763 0.640 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.028 -3.239 0.855 1.00 0.00 C ATOM 0 H VAL A 88 8.325 -6.136 2.763 1.00 0.00 H new ATOM 0 HA VAL A 88 11.091 -5.545 2.255 1.00 0.00 H new ATOM 0 HB VAL A 88 10.204 -5.027 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.599 -3.200 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.884 -4.572 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.360 -3.101 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.958 -2.679 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.849 -2.568 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.024 -3.673 0.944 1.00 0.00 H new ATOM 1322 N THR A 89 10.778 -3.706 3.965 1.00 0.00 N ATOM 1323 CA THR A 89 10.634 -2.844 5.090 1.00 0.00 C ATOM 1324 C THR A 89 10.009 -1.554 4.702 1.00 0.00 C ATOM 1325 O THR A 89 10.097 -1.133 3.549 1.00 0.00 O ATOM 1326 CB THR A 89 11.992 -2.549 5.753 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.984 -2.248 4.760 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.436 -3.692 6.617 1.00 0.00 C ATOM 0 H THR A 89 11.745 -3.844 3.670 1.00 0.00 H new ATOM 0 HA THR A 89 9.991 -3.365 5.800 1.00 0.00 H new ATOM 0 HB THR A 89 11.869 -1.676 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.717 -2.896 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.398 -3.453 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.698 -3.864 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.535 -4.591 6.008 1.00 0.00 H new ATOM 1336 N HIS A 90 9.377 -0.937 5.659 1.00 0.00 N ATOM 1337 CA HIS A 90 8.815 0.391 5.513 1.00 0.00 C ATOM 1338 C HIS A 90 9.911 1.330 5.023 1.00 0.00 C ATOM 1339 O HIS A 90 9.718 2.099 4.098 1.00 0.00 O ATOM 1340 CB HIS A 90 8.281 0.851 6.882 1.00 0.00 C ATOM 1341 CG HIS A 90 7.602 2.187 6.916 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.275 2.351 7.208 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.080 3.429 6.670 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.984 3.636 7.116 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.048 4.345 6.798 1.00 0.00 N ATOM 0 H HIS A 90 9.231 -1.344 6.583 1.00 0.00 H new ATOM 0 HA HIS A 90 7.996 0.393 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.578 0.101 7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.114 0.873 7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.102 3.668 6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.001 4.052 7.280 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.101 5.356 6.672 1.00 0.00 H new ATOM 1353 N ASP A 91 11.066 1.183 5.618 1.00 0.00 N ATOM 1354 CA ASP A 91 12.239 1.994 5.332 1.00 0.00 C ATOM 1355 C ASP A 91 12.672 1.872 3.881 1.00 0.00 C ATOM 1356 O ASP A 91 13.007 2.861 3.225 1.00 0.00 O ATOM 1357 CB ASP A 91 13.366 1.530 6.214 1.00 0.00 C ATOM 1358 CG ASP A 91 14.623 2.353 6.052 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.624 3.533 6.428 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.634 1.822 5.532 1.00 0.00 O ATOM 0 H ASP A 91 11.230 0.478 6.337 1.00 0.00 H new ATOM 0 HA ASP A 91 11.988 3.038 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.045 1.569 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.590 0.487 5.989 1.00 0.00 H new ATOM 1365 N GLN A 92 12.680 0.665 3.389 1.00 0.00 N ATOM 1366 CA GLN A 92 13.079 0.412 2.016 1.00 0.00 C ATOM 1367 C GLN A 92 11.973 0.754 1.035 1.00 0.00 C ATOM 1368 O GLN A 92 12.235 1.243 -0.058 1.00 0.00 O ATOM 1369 CB GLN A 92 13.587 -1.020 1.834 1.00 0.00 C ATOM 1370 CG GLN A 92 15.110 -1.128 1.773 1.00 0.00 C ATOM 1371 CD GLN A 92 15.834 -0.603 3.008 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.924 -0.063 2.902 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.284 -0.798 4.168 1.00 0.00 N ATOM 0 H GLN A 92 12.415 -0.168 3.914 1.00 0.00 H new ATOM 0 HA GLN A 92 13.913 1.078 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.221 -1.633 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.165 -1.432 0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.381 -2.173 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.465 -0.581 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.372 -1.251 4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.764 -0.498 5.017 1.00 0.00 H new ATOM 1382 N ALA A 93 10.751 0.559 1.458 1.00 0.00 N ATOM 1383 CA ALA A 93 9.595 0.829 0.633 1.00 0.00 C ATOM 1384 C ALA A 93 9.396 2.308 0.450 1.00 0.00 C ATOM 1385 O ALA A 93 9.068 2.762 -0.650 1.00 0.00 O ATOM 1386 CB ALA A 93 8.364 0.217 1.233 1.00 0.00 C ATOM 0 H ALA A 93 10.525 0.207 2.388 1.00 0.00 H new ATOM 0 HA ALA A 93 9.772 0.381 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.505 0.431 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.496 -0.862 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.195 0.637 2.225 1.00 0.00 H new ATOM 1392 N ARG A 94 9.612 3.066 1.526 1.00 0.00 N ATOM 1393 CA ARG A 94 9.485 4.523 1.487 1.00 0.00 C ATOM 1394 C ARG A 94 10.341 5.100 0.374 1.00 0.00 C ATOM 1395 O ARG A 94 9.859 5.809 -0.488 1.00 0.00 O ATOM 1396 CB ARG A 94 9.839 5.163 2.846 1.00 0.00 C ATOM 1397 CG ARG A 94 8.731 5.115 3.878 1.00 0.00 C ATOM 1398 CD ARG A 94 7.585 6.066 3.549 1.00 0.00 C ATOM 1399 NE ARG A 94 7.967 7.491 3.708 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.113 8.544 3.682 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.807 8.346 3.614 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.586 9.784 3.756 1.00 0.00 N ATOM 0 H ARG A 94 9.877 2.693 2.438 1.00 0.00 H new ATOM 0 HA ARG A 94 8.442 4.761 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.716 4.659 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.117 6.204 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.346 4.097 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.139 5.368 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.256 5.893 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.737 5.846 4.197 1.00 0.00 H new ATOM 0 HE ARG A 94 8.956 7.696 3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.436 7.396 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.171 9.143 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.591 9.943 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.944 10.577 3.736 1.00 0.00 H new ATOM 1416 N LYS A 95 11.552 4.646 0.291 1.00 0.00 N ATOM 1417 CA LYS A 95 12.484 5.144 -0.702 1.00 0.00 C ATOM 1418 C LYS A 95 12.336 4.382 -2.009 1.00 0.00 C ATOM 1419 O LYS A 95 13.299 4.134 -2.726 1.00 0.00 O ATOM 1420 CB LYS A 95 13.935 5.154 -0.192 1.00 0.00 C ATOM 1421 CG LYS A 95 14.410 3.872 0.456 1.00 0.00 C ATOM 1422 CD LYS A 95 15.896 3.946 0.753 1.00 0.00 C ATOM 1423 CE LYS A 95 16.347 2.804 1.635 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.825 2.938 3.011 1.00 0.00 N ATOM 0 H LYS A 95 11.933 3.923 0.901 1.00 0.00 H new ATOM 0 HA LYS A 95 12.231 6.186 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.594 5.382 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.042 5.965 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.857 3.697 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.206 3.028 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.456 3.927 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.123 4.894 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.010 1.859 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.436 2.772 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.223 2.185 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.096 3.865 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.788 2.858 2.998 1.00 0.00 H new ATOM 1438 N ARG A 96 11.108 4.052 -2.309 1.00 0.00 N ATOM 1439 CA ARG A 96 10.748 3.427 -3.538 1.00 0.00 C ATOM 1440 C ARG A 96 9.440 3.992 -4.004 1.00 0.00 C ATOM 1441 O ARG A 96 9.300 4.365 -5.150 1.00 0.00 O ATOM 1442 CB ARG A 96 10.686 1.893 -3.446 1.00 0.00 C ATOM 1443 CG ARG A 96 10.385 1.213 -4.787 1.00 0.00 C ATOM 1444 CD ARG A 96 11.521 1.420 -5.778 1.00 0.00 C ATOM 1445 NE ARG A 96 11.212 0.911 -7.121 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.125 0.787 -8.107 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.424 0.915 -7.833 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.737 0.494 -9.358 1.00 0.00 N ATOM 0 H ARG A 96 10.317 4.217 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 96 11.532 3.643 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.637 1.521 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.920 1.611 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.227 0.146 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.460 1.614 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.750 2.484 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.416 0.923 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 96 10.250 0.635 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.727 1.107 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.114 0.821 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.747 0.364 -9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.432 0.402 -10.099 1.00 0.00 H new ATOM 1462 N LEU A 97 8.493 4.075 -3.109 1.00 0.00 N ATOM 1463 CA LEU A 97 7.194 4.609 -3.483 1.00 0.00 C ATOM 1464 C LEU A 97 7.020 6.079 -3.174 1.00 0.00 C ATOM 1465 O LEU A 97 6.220 6.748 -3.774 1.00 0.00 O ATOM 1466 CB LEU A 97 6.087 3.770 -2.899 1.00 0.00 C ATOM 1467 CG LEU A 97 6.269 3.315 -1.469 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.128 4.453 -0.464 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.320 2.223 -1.183 1.00 0.00 C ATOM 0 H LEU A 97 8.583 3.789 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 97 7.138 4.548 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.159 4.338 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.962 2.886 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 97 7.290 2.949 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.269 4.066 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.880 5.215 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.134 4.893 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.447 1.891 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.300 2.580 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.510 1.389 -1.859 1.00 0.00 H new ATOM 1481 N THR A 98 7.716 6.576 -2.221 1.00 0.00 N ATOM 1482 CA THR A 98 7.584 7.978 -1.968 1.00 0.00 C ATOM 1483 C THR A 98 8.858 8.710 -2.348 1.00 0.00 C ATOM 1484 O THR A 98 9.025 9.898 -2.033 1.00 0.00 O ATOM 1485 CB THR A 98 7.088 8.305 -0.519 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.805 9.702 -0.371 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.098 7.914 0.507 1.00 0.00 C ATOM 0 H THR A 98 8.362 6.065 -1.619 1.00 0.00 H new ATOM 0 HA THR A 98 6.788 8.352 -2.612 1.00 0.00 H new ATOM 0 HB THR A 98 6.176 7.728 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.469 10.225 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.720 8.156 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.287 6.843 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.026 8.458 0.330 1.00 0.00 H new ATOM 1495 N LYS A 99 9.759 8.003 -3.040 1.00 0.00 N ATOM 1496 CA LYS A 99 10.935 8.649 -3.585 1.00 0.00 C ATOM 1497 C LYS A 99 10.500 9.598 -4.728 1.00 0.00 C ATOM 1498 O LYS A 99 9.408 9.460 -5.262 1.00 0.00 O ATOM 1499 CB LYS A 99 11.931 7.628 -4.153 1.00 0.00 C ATOM 1500 CG LYS A 99 11.394 6.864 -5.357 1.00 0.00 C ATOM 1501 CD LYS A 99 12.507 6.336 -6.254 1.00 0.00 C ATOM 1502 CE LYS A 99 13.384 5.323 -5.560 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.436 4.796 -6.448 1.00 0.00 N ATOM 0 H LYS A 99 9.690 7.003 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 99 11.424 9.197 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.847 8.145 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.198 6.917 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.783 6.030 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.743 7.517 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.067 5.882 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.121 7.170 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.845 5.783 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.769 4.499 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.065 4.169 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.998 4.261 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.988 5.586 -6.839 1.00 0.00 H new ATOM 1517 N ARG A 100 11.352 10.524 -5.105 1.00 0.00 N ATOM 1518 CA ARG A 100 11.019 11.443 -6.194 1.00 0.00 C ATOM 1519 C ARG A 100 11.937 11.261 -7.392 1.00 0.00 C ATOM 1520 O ARG A 100 11.904 12.042 -8.342 1.00 0.00 O ATOM 1521 CB ARG A 100 11.018 12.910 -5.739 1.00 0.00 C ATOM 1522 CG ARG A 100 12.275 13.388 -5.055 1.00 0.00 C ATOM 1523 CD ARG A 100 12.271 14.908 -4.944 1.00 0.00 C ATOM 1524 NE ARG A 100 13.393 15.416 -4.158 1.00 0.00 N ATOM 1525 CZ ARG A 100 14.156 16.473 -4.478 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.959 17.127 -5.628 1.00 0.00 N ATOM 1527 NH2 ARG A 100 15.106 16.880 -3.633 1.00 0.00 N ATOM 0 H ARG A 100 12.271 10.668 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 100 10.005 11.190 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.839 13.540 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.179 13.059 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.348 12.944 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.150 13.060 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.306 15.342 -5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.336 15.233 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 100 13.616 14.925 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.225 16.823 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.542 17.929 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.248 16.388 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.689 17.682 -3.870 1.00 0.00 H new ATOM 1541 N SER A 101 12.748 10.235 -7.357 1.00 0.00 N ATOM 1542 CA SER A 101 13.675 9.984 -8.439 1.00 0.00 C ATOM 1543 C SER A 101 12.955 9.313 -9.609 1.00 0.00 C ATOM 1544 O SER A 101 13.316 9.512 -10.775 1.00 0.00 O ATOM 1545 CB SER A 101 14.815 9.101 -7.942 1.00 0.00 C ATOM 1546 OG SER A 101 15.910 9.075 -8.851 1.00 0.00 O ATOM 0 H SER A 101 12.788 9.559 -6.594 1.00 0.00 H new ATOM 0 HA SER A 101 14.084 10.933 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.158 9.464 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.447 8.086 -7.790 1.00 0.00 H new ATOM 0 HG SER A 101 16.618 8.500 -8.494 1.00 0.00 H new ATOM 1552 N GLU A 102 11.943 8.548 -9.296 1.00 0.00 N ATOM 1553 CA GLU A 102 11.203 7.804 -10.304 1.00 0.00 C ATOM 1554 C GLU A 102 9.792 8.353 -10.424 1.00 0.00 C ATOM 1555 O GLU A 102 9.402 9.198 -9.621 1.00 0.00 O ATOM 1556 CB GLU A 102 11.249 6.306 -9.998 1.00 0.00 C ATOM 1557 CG GLU A 102 12.680 5.772 -10.025 1.00 0.00 C ATOM 1558 CD GLU A 102 12.802 4.316 -9.687 1.00 0.00 C ATOM 1559 OE1 GLU A 102 12.731 3.474 -10.611 1.00 0.00 O ATOM 1560 OE2 GLU A 102 13.032 3.996 -8.514 1.00 0.00 O ATOM 0 H GLU A 102 11.603 8.417 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 102 11.671 7.932 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.809 6.120 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.644 5.766 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 102 13.099 5.939 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 102 13.283 6.348 -9.323 1.00 0.00 H new ATOM 1567 N GLU A 103 9.035 7.899 -11.410 1.00 0.00 N ATOM 1568 CA GLU A 103 7.739 8.496 -11.674 1.00 0.00 C ATOM 1569 C GLU A 103 6.574 7.509 -11.812 1.00 0.00 C ATOM 1570 O GLU A 103 5.706 7.457 -10.956 1.00 0.00 O ATOM 1571 CB GLU A 103 7.822 9.468 -12.861 1.00 0.00 C ATOM 1572 CG GLU A 103 8.518 8.952 -14.105 1.00 0.00 C ATOM 1573 CD GLU A 103 8.759 10.057 -15.105 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.678 10.872 -14.893 1.00 0.00 O ATOM 1575 OE2 GLU A 103 8.010 10.165 -16.102 1.00 0.00 O ATOM 0 H GLU A 103 9.291 7.131 -12.031 1.00 0.00 H new ATOM 0 HA GLU A 103 7.491 9.056 -10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.809 9.762 -13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.338 10.369 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.469 8.497 -13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.912 8.171 -14.564 1.00 0.00 H new ATOM 1582 N VAL A 104 6.531 6.769 -12.889 1.00 0.00 N ATOM 1583 CA VAL A 104 5.425 5.860 -13.123 1.00 0.00 C ATOM 1584 C VAL A 104 5.749 4.504 -12.565 1.00 0.00 C ATOM 1585 O VAL A 104 6.820 3.946 -12.832 1.00 0.00 O ATOM 1586 CB VAL A 104 5.076 5.698 -14.614 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.749 5.012 -14.793 1.00 0.00 C ATOM 1588 CG2 VAL A 104 5.136 7.001 -15.348 1.00 0.00 C ATOM 0 H VAL A 104 7.243 6.773 -13.619 1.00 0.00 H new ATOM 0 HA VAL A 104 4.561 6.298 -12.623 1.00 0.00 H new ATOM 0 HB VAL A 104 5.837 5.055 -15.058 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.531 4.913 -15.856 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.786 4.023 -14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.967 5.603 -14.316 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.883 6.840 -16.396 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.426 7.700 -14.906 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.143 7.413 -15.277 1.00 0.00 H new ATOM 1598 N VAL A 105 4.847 3.978 -11.800 1.00 0.00 N ATOM 1599 CA VAL A 105 5.023 2.708 -11.184 1.00 0.00 C ATOM 1600 C VAL A 105 3.858 1.782 -11.506 1.00 0.00 C ATOM 1601 O VAL A 105 2.732 2.239 -11.735 1.00 0.00 O ATOM 1602 CB VAL A 105 5.165 2.849 -9.651 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.493 3.508 -9.283 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.009 3.674 -9.103 1.00 0.00 C ATOM 0 H VAL A 105 3.957 4.427 -11.584 1.00 0.00 H new ATOM 0 HA VAL A 105 5.940 2.275 -11.583 1.00 0.00 H new ATOM 0 HB VAL A 105 5.145 1.853 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.568 3.595 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.317 2.899 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.543 4.500 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.112 3.772 -8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.020 4.664 -9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.066 3.178 -9.334 1.00 0.00 H new ATOM 1614 N ARG A 106 4.143 0.493 -11.539 1.00 0.00 N ATOM 1615 CA ARG A 106 3.143 -0.528 -11.778 1.00 0.00 C ATOM 1616 C ARG A 106 2.975 -1.226 -10.472 1.00 0.00 C ATOM 1617 O ARG A 106 3.844 -1.987 -10.063 1.00 0.00 O ATOM 1618 CB ARG A 106 3.626 -1.560 -12.797 1.00 0.00 C ATOM 1619 CG ARG A 106 4.151 -0.996 -14.090 1.00 0.00 C ATOM 1620 CD ARG A 106 4.608 -2.106 -15.032 1.00 0.00 C ATOM 1621 NE ARG A 106 5.577 -3.036 -14.396 1.00 0.00 N ATOM 1622 CZ ARG A 106 6.877 -3.133 -14.719 1.00 0.00 C ATOM 1623 NH1 ARG A 106 7.442 -2.226 -15.505 1.00 0.00 N ATOM 1624 NH2 ARG A 106 7.616 -4.111 -14.214 1.00 0.00 N ATOM 0 H ARG A 106 5.083 0.124 -11.399 1.00 0.00 H new ATOM 0 HA ARG A 106 2.227 -0.078 -12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.411 -2.160 -12.337 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.801 -2.235 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.374 -0.403 -14.573 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.984 -0.324 -13.885 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.739 -2.670 -15.371 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.064 -1.661 -15.916 1.00 0.00 H new ATOM 0 HE ARG A 106 5.228 -3.647 -13.658 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.889 -1.450 -15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.430 -2.305 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.197 -4.791 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.603 -4.184 -14.460 1.00 0.00 H new ATOM 1638 N LEU A 107 1.963 -0.922 -9.782 1.00 0.00 N ATOM 1639 CA LEU A 107 1.778 -1.489 -8.494 1.00 0.00 C ATOM 1640 C LEU A 107 0.763 -2.566 -8.581 1.00 0.00 C ATOM 1641 O LEU A 107 -0.116 -2.514 -9.409 1.00 0.00 O ATOM 1642 CB LEU A 107 1.271 -0.440 -7.543 1.00 0.00 C ATOM 1643 CG LEU A 107 1.972 0.905 -7.581 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.382 1.822 -6.553 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.446 0.756 -7.363 1.00 0.00 C ATOM 0 H LEU A 107 1.232 -0.276 -10.079 1.00 0.00 H new ATOM 0 HA LEU A 107 2.729 -1.884 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.212 -0.279 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.345 -0.834 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 107 1.823 1.337 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.892 2.785 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.321 1.966 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.503 1.384 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.920 1.737 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.626 0.299 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.867 0.123 -8.144 1.00 0.00 H new ATOM 1657 N LEU A 108 0.894 -3.521 -7.760 1.00 0.00 N ATOM 1658 CA LEU A 108 -0.053 -4.559 -7.643 1.00 0.00 C ATOM 1659 C LEU A 108 -0.482 -4.661 -6.236 1.00 0.00 C ATOM 1660 O LEU A 108 0.327 -4.944 -5.329 1.00 0.00 O ATOM 1661 CB LEU A 108 0.452 -5.889 -8.154 1.00 0.00 C ATOM 1662 CG LEU A 108 0.008 -6.263 -9.566 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.757 -5.460 -10.622 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.139 -7.753 -9.814 1.00 0.00 C ATOM 0 H LEU A 108 1.688 -3.612 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.903 -4.306 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.542 -5.879 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.122 -6.670 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.048 -6.007 -9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.414 -5.754 -11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.568 -4.397 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.826 -5.654 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.186 -7.983 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.180 -8.052 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.483 -8.296 -9.102 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.722 -4.406 -6.045 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.298 -4.403 -4.737 1.00 0.00 C ATOM 1678 C VAL A 109 -3.344 -5.466 -4.649 1.00 0.00 C ATOM 1679 O VAL A 109 -3.881 -5.909 -5.674 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.911 -3.040 -4.341 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.865 -1.949 -4.293 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -4.064 -2.643 -5.236 1.00 0.00 C ATOM 0 H VAL A 109 -2.380 -4.190 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.487 -4.599 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.313 -3.166 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.335 -1.007 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.102 -2.208 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.403 -1.845 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.458 -1.679 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.716 -2.568 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.850 -3.396 -5.172 1.00 0.00 H new ATOM 1692 N THR A 110 -3.649 -5.863 -3.473 1.00 0.00 N ATOM 1693 CA THR A 110 -4.598 -6.885 -3.268 1.00 0.00 C ATOM 1694 C THR A 110 -5.799 -6.341 -2.488 1.00 0.00 C ATOM 1695 O THR A 110 -5.657 -5.780 -1.421 1.00 0.00 O ATOM 1696 CB THR A 110 -3.954 -8.129 -2.624 1.00 0.00 C ATOM 1697 OG1 THR A 110 -3.144 -7.766 -1.508 1.00 0.00 O ATOM 1698 CG2 THR A 110 -3.104 -8.885 -3.620 1.00 0.00 C ATOM 0 H THR A 110 -3.243 -5.484 -2.618 1.00 0.00 H new ATOM 0 HA THR A 110 -4.977 -7.222 -4.233 1.00 0.00 H new ATOM 0 HB THR A 110 -4.768 -8.771 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.517 -7.061 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.664 -9.756 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.724 -9.209 -4.456 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.310 -8.235 -3.988 1.00 0.00 H new