USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 81 ASN : amide:sc= -1.65 K(o=-0.58,f=-3.5) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -107:sc= 1.07 (180deg=-1.06!) USER MOD Single : A 10 THR OG1 : rot 31:sc= 0.208 USER MOD Single : A 14 GLN :FLIP amide:sc= -5.59! C(o=-9.6!,f=-5.6!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.132 F(o=-0.75,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0.498) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.132 F(o=-1.5!,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= 1.15 K(o=1.2,f=-0.35) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.735 K(o=0.74,f=-0.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 31:sc= 0.018 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.256 F(o=-4.4!,f=-0.26) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= 0.31 (180deg=0.00107) USER MOD Single : A 78 MET CE :methyl 160:sc= -5.7! (180deg=-7.04!) USER MOD Single : A 79 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 85 MET CE :methyl -146:sc= -7.24! (180deg=-11.2!) USER MOD Single : A 86 THR OG1 : rot -98:sc= 1.23 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 90 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-5.1!) USER MOD Single : A 92 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.018) USER MOD Single : A 98 THR OG1 : rot 160:sc= -1.38 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 110 THR OG1 : rot 67:sc= 0.483 USER MOD Single : A 112 GLN : amide:sc= -4! C(o=-4!,f=-8.8!) USER MOD Single : A 113 SER OG : rot 35:sc= 0.0811 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.095 6.832 2.717 1.00 1.00 N ATOM 140 CA THR A 10 -14.548 6.401 3.980 1.00 1.07 C ATOM 141 C THR A 10 -14.116 4.944 3.878 1.00 0.92 C ATOM 142 O THR A 10 -14.862 4.022 4.212 1.00 0.99 O ATOM 143 CB THR A 10 -15.588 6.542 5.093 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.185 7.848 5.052 1.00 2.09 O ATOM 145 CG2 THR A 10 -14.976 6.298 6.465 1.00 1.90 C ATOM 0 HA THR A 10 -13.689 7.028 4.218 1.00 1.07 H new ATOM 0 HB THR A 10 -16.355 5.786 4.926 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.199 8.172 4.127 1.00 2.09 H new ATOM 0 HG21 THR A 10 -15.744 6.407 7.231 1.00 1.90 H new ATOM 0 HG22 THR A 10 -14.564 5.290 6.505 1.00 1.90 H new ATOM 0 HG23 THR A 10 -14.181 7.023 6.643 1.00 1.90 H new ATOM 153 N ALA A 11 -12.932 4.774 3.349 1.00 0.83 N ATOM 154 CA ALA A 11 -12.317 3.479 3.194 1.00 0.74 C ATOM 155 C ALA A 11 -11.936 2.891 4.540 1.00 0.77 C ATOM 156 O ALA A 11 -11.983 3.563 5.573 1.00 0.96 O ATOM 157 CB ALA A 11 -11.094 3.597 2.296 1.00 0.70 C ATOM 0 H ALA A 11 -12.357 5.544 3.008 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.037 2.805 2.730 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.631 2.617 2.181 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.395 3.973 1.318 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.378 4.286 2.745 1.00 0.70 H new ATOM 163 N VAL A 12 -11.545 1.640 4.506 1.00 0.65 N ATOM 164 CA VAL A 12 -11.161 0.915 5.703 1.00 0.72 C ATOM 165 C VAL A 12 -9.668 0.641 5.660 1.00 0.54 C ATOM 166 O VAL A 12 -9.058 0.717 4.603 1.00 0.54 O ATOM 167 CB VAL A 12 -11.935 -0.416 5.847 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.434 -0.163 5.921 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.607 -1.368 4.704 1.00 1.38 C ATOM 0 H VAL A 12 -11.482 1.091 3.649 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.409 1.531 6.567 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.620 -0.887 6.778 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.959 -1.113 6.022 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.655 0.467 6.783 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.764 0.339 5.011 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.165 -2.295 4.831 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -11.882 -0.906 3.756 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.539 -1.585 4.706 1.00 1.38 H new ATOM 179 N VAL A 13 -9.073 0.329 6.787 1.00 0.52 N ATOM 180 CA VAL A 13 -7.637 0.130 6.831 1.00 0.44 C ATOM 181 C VAL A 13 -7.285 -1.344 6.970 1.00 0.41 C ATOM 182 O VAL A 13 -7.692 -2.012 7.923 1.00 0.50 O ATOM 183 CB VAL A 13 -6.993 0.928 7.977 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.498 0.685 8.031 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.288 2.416 7.824 1.00 1.02 C ATOM 0 H VAL A 13 -9.552 0.208 7.679 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.238 0.497 5.885 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.427 0.584 8.916 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.065 1.260 8.850 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.307 -0.376 8.193 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.045 0.996 7.090 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.825 2.965 8.644 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.885 2.771 6.876 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.366 2.577 7.843 1.00 1.02 H new ATOM 195 N GLN A 14 -6.555 -1.854 5.994 1.00 0.37 N ATOM 196 CA GLN A 14 -6.053 -3.220 6.058 1.00 0.40 C ATOM 197 C GLN A 14 -4.534 -3.239 6.215 1.00 0.32 C ATOM 198 O GLN A 14 -3.836 -2.305 5.825 1.00 0.41 O ATOM 199 CB GLN A 14 -6.485 -4.014 4.826 1.00 0.51 C ATOM 200 CG GLN A 14 -5.822 -3.601 3.542 1.00 0.53 C ATOM 201 CD GLN A 14 -4.661 -4.494 3.171 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.465 -4.142 3.612 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.838 -5.500 2.496 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.296 -1.346 5.148 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.485 -3.697 6.937 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.278 -5.070 5.001 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.564 -3.916 4.709 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.557 -3.615 2.737 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.470 -2.574 3.634 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.776 -5.739 2.174 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.048 -6.099 2.256 1.00 0.55 H new ATOM 212 N ARG A 15 -4.032 -4.316 6.769 1.00 0.32 N ATOM 213 CA ARG A 15 -2.640 -4.426 7.123 1.00 0.39 C ATOM 214 C ARG A 15 -2.041 -5.690 6.514 1.00 0.33 C ATOM 215 O ARG A 15 -2.387 -6.790 6.939 1.00 0.55 O ATOM 216 CB ARG A 15 -2.545 -4.476 8.646 1.00 0.70 C ATOM 217 CG ARG A 15 -1.409 -3.667 9.219 1.00 0.75 C ATOM 218 CD ARG A 15 -0.066 -4.306 8.925 1.00 1.44 C ATOM 219 NE ARG A 15 0.953 -3.890 9.890 1.00 2.26 N ATOM 220 CZ ARG A 15 1.999 -4.642 10.242 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.232 -5.797 9.627 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.812 -4.232 11.208 1.00 3.63 N ATOM 0 H ARG A 15 -4.583 -5.146 6.988 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.083 -3.571 6.739 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.483 -4.117 9.070 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.431 -5.514 8.958 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.432 -2.660 8.803 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.538 -3.570 10.297 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.167 -5.391 8.947 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.253 -4.035 7.919 1.00 1.44 H new ATOM 0 HE ARG A 15 0.858 -2.970 10.320 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.611 -6.113 8.882 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.032 -6.368 9.900 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.637 -3.345 11.679 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.612 -4.804 11.479 1.00 3.63 H new ATOM 236 N VAL A 16 -1.156 -5.557 5.533 1.00 0.25 N ATOM 237 CA VAL A 16 -0.507 -6.742 4.989 1.00 0.30 C ATOM 238 C VAL A 16 0.937 -6.816 5.459 1.00 0.26 C ATOM 239 O VAL A 16 1.565 -5.794 5.733 1.00 0.40 O ATOM 240 CB VAL A 16 -0.560 -6.865 3.439 1.00 0.51 C ATOM 241 CG1 VAL A 16 -1.979 -6.744 2.935 1.00 1.02 C ATOM 242 CG2 VAL A 16 0.356 -5.885 2.718 1.00 0.64 C ATOM 0 H VAL A 16 -0.878 -4.671 5.110 1.00 0.25 H new ATOM 0 HA VAL A 16 -1.084 -7.583 5.374 1.00 0.30 H new ATOM 0 HB VAL A 16 -0.183 -7.861 3.204 1.00 0.51 H new ATOM 0 HG11 VAL A 16 -1.988 -6.833 1.849 1.00 1.02 H new ATOM 0 HG12 VAL A 16 -2.588 -7.537 3.369 1.00 1.02 H new ATOM 0 HG13 VAL A 16 -2.386 -5.775 3.223 1.00 1.02 H new ATOM 0 HG21 VAL A 16 0.267 -6.028 1.641 1.00 0.64 H new ATOM 0 HG22 VAL A 16 0.070 -4.865 2.973 1.00 0.64 H new ATOM 0 HG23 VAL A 16 1.388 -6.060 3.023 1.00 0.64 H new ATOM 252 N GLU A 17 1.439 -8.026 5.594 1.00 0.22 N ATOM 253 CA GLU A 17 2.802 -8.243 6.036 1.00 0.25 C ATOM 254 C GLU A 17 3.385 -9.461 5.340 1.00 0.24 C ATOM 255 O GLU A 17 2.845 -10.566 5.450 1.00 0.28 O ATOM 256 CB GLU A 17 2.834 -8.421 7.553 1.00 0.33 C ATOM 257 CG GLU A 17 4.223 -8.664 8.120 1.00 0.44 C ATOM 258 CD GLU A 17 4.239 -8.553 9.628 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.312 -7.420 10.143 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.208 -9.599 10.306 1.00 1.31 O ATOM 0 H GLU A 17 0.918 -8.882 5.402 1.00 0.22 H new ATOM 0 HA GLU A 17 3.407 -7.375 5.776 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.413 -7.532 8.021 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.191 -9.259 7.823 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.569 -9.655 7.824 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.921 -7.943 7.695 1.00 0.44 H new ATOM 267 N ILE A 18 4.476 -9.277 4.622 1.00 0.24 N ATOM 268 CA ILE A 18 5.070 -10.368 3.903 1.00 0.24 C ATOM 269 C ILE A 18 6.569 -10.226 3.983 1.00 0.27 C ATOM 270 O ILE A 18 7.089 -9.115 3.996 1.00 0.33 O ATOM 271 CB ILE A 18 4.595 -10.410 2.428 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.947 -11.755 1.795 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.180 -9.260 1.618 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.186 -12.909 2.402 1.00 0.61 C ATOM 0 H ILE A 18 4.961 -8.385 4.526 1.00 0.24 H new ATOM 0 HA ILE A 18 4.758 -11.309 4.355 1.00 0.24 H new ATOM 0 HB ILE A 18 3.511 -10.294 2.422 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.740 -11.713 0.726 1.00 0.34 H new ATOM 0 HG13 ILE A 18 6.017 -11.934 1.906 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.825 -9.322 0.589 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.866 -8.311 2.054 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.268 -9.323 1.631 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.479 -13.837 1.911 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.412 -12.975 3.466 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.116 -12.750 2.268 1.00 0.61 H new ATOM 286 N HIS A 19 7.263 -11.329 4.081 1.00 0.30 N ATOM 287 CA HIS A 19 8.700 -11.276 4.229 1.00 0.33 C ATOM 288 C HIS A 19 9.334 -10.919 2.898 1.00 0.35 C ATOM 289 O HIS A 19 9.129 -11.625 1.914 1.00 0.40 O ATOM 290 CB HIS A 19 9.234 -12.604 4.764 1.00 0.39 C ATOM 291 CG HIS A 19 8.928 -12.832 6.215 1.00 0.44 C ATOM 292 ND1 HIS A 19 7.772 -12.693 6.912 1.00 0.54 N flip ATOM 293 CD2 HIS A 19 9.865 -13.271 7.123 1.00 0.46 C flip ATOM 294 CE1 HIS A 19 8.031 -13.052 8.211 1.00 0.60 C flip ATOM 295 NE2 HIS A 19 9.300 -13.398 8.312 1.00 0.56 N flip ATOM 0 H HIS A 19 6.865 -12.268 4.062 1.00 0.30 H new ATOM 0 HA HIS A 19 8.961 -10.505 4.954 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.809 -13.419 4.179 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.314 -12.637 4.619 1.00 0.39 H new ATOM 0 HD2 HIS A 19 10.901 -13.479 6.899 1.00 0.46 H new ATOM 0 HE1 HIS A 19 7.314 -13.051 9.018 1.00 0.60 H new ATOM 0 HE2 HIS A 19 9.767 -13.711 9.163 1.00 0.56 H new ATOM 304 N LYS A 20 10.020 -9.765 2.883 1.00 0.34 N ATOM 305 CA LYS A 20 10.751 -9.261 1.702 1.00 0.36 C ATOM 306 C LYS A 20 11.251 -10.417 0.821 1.00 0.36 C ATOM 307 O LYS A 20 11.910 -11.344 1.301 1.00 0.42 O ATOM 308 CB LYS A 20 11.926 -8.339 2.138 1.00 0.40 C ATOM 309 CG LYS A 20 13.104 -9.030 2.838 1.00 1.42 C ATOM 310 CD LYS A 20 14.128 -9.585 1.851 1.00 2.33 C ATOM 311 CE LYS A 20 15.207 -10.416 2.541 1.00 3.13 C ATOM 312 NZ LYS A 20 16.193 -9.575 3.280 1.00 4.00 N ATOM 0 H LYS A 20 10.085 -9.149 3.694 1.00 0.34 H new ATOM 0 HA LYS A 20 10.059 -8.669 1.103 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.305 -7.826 1.254 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.531 -7.573 2.806 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.594 -8.319 3.504 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.727 -9.842 3.460 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.618 -10.200 1.109 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.596 -8.760 1.314 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.736 -11.112 3.235 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.731 -11.015 1.796 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 17.045 -10.136 3.482 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 16.450 -8.751 2.700 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.772 -9.251 4.174 1.00 4.00 H new ATOM 326 N LEU A 21 10.928 -10.373 -0.468 1.00 0.33 N ATOM 327 CA LEU A 21 11.233 -11.494 -1.349 1.00 0.37 C ATOM 328 C LEU A 21 12.515 -11.232 -2.117 1.00 0.41 C ATOM 329 O LEU A 21 12.535 -10.477 -3.082 1.00 0.45 O ATOM 330 CB LEU A 21 10.069 -11.748 -2.314 1.00 0.38 C ATOM 331 CG LEU A 21 10.210 -12.981 -3.210 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.291 -14.247 -2.372 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.046 -13.059 -4.183 1.00 0.48 C ATOM 0 H LEU A 21 10.462 -9.586 -0.920 1.00 0.33 H new ATOM 0 HA LEU A 21 11.375 -12.386 -0.738 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.153 -11.847 -1.732 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.950 -10.871 -2.950 1.00 0.38 H new ATOM 0 HG LEU A 21 11.135 -12.891 -3.780 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.391 -15.112 -3.028 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.156 -14.191 -1.711 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.384 -14.347 -1.775 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.158 -13.940 -4.815 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.111 -13.128 -3.627 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.033 -12.165 -4.807 1.00 0.48 H new ATOM 345 N ARG A 22 13.591 -11.845 -1.672 1.00 0.51 N ATOM 346 CA ARG A 22 14.890 -11.611 -2.277 1.00 0.61 C ATOM 347 C ARG A 22 14.963 -12.201 -3.684 1.00 0.60 C ATOM 348 O ARG A 22 14.518 -13.322 -3.933 1.00 0.66 O ATOM 349 CB ARG A 22 16.006 -12.189 -1.408 1.00 0.88 C ATOM 350 CG ARG A 22 15.928 -13.695 -1.229 1.00 1.19 C ATOM 351 CD ARG A 22 17.284 -14.294 -0.893 1.00 1.94 C ATOM 352 NE ARG A 22 17.972 -13.571 0.177 1.00 2.47 N ATOM 353 CZ ARG A 22 18.283 -14.106 1.360 1.00 3.28 C ATOM 354 NH1 ARG A 22 17.879 -15.333 1.666 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.980 -13.397 2.243 1.00 3.97 N ATOM 0 H ARG A 22 13.595 -12.507 -0.896 1.00 0.51 H new ATOM 0 HA ARG A 22 15.026 -10.532 -2.352 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.968 -11.935 -1.853 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.973 -11.714 -0.427 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.220 -13.931 -0.435 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.546 -14.150 -2.143 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.153 -15.335 -0.597 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.908 -14.293 -1.786 1.00 1.94 H new ATOM 0 HE ARG A 22 18.230 -12.599 0.009 1.00 2.47 H new ATOM 0 HH11 ARG A 22 17.329 -15.871 0.996 1.00 3.78 H new ATOM 0 HH12 ARG A 22 18.119 -15.738 2.571 1.00 3.78 H new ATOM 0 HH21 ARG A 22 19.275 -12.448 2.016 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.219 -13.803 3.148 1.00 3.97 H new ATOM 369 N GLN A 23 15.512 -11.425 -4.596 1.00 0.68 N ATOM 370 CA GLN A 23 15.762 -11.872 -5.950 1.00 0.81 C ATOM 371 C GLN A 23 17.207 -11.571 -6.295 1.00 0.93 C ATOM 372 O GLN A 23 17.507 -10.465 -6.726 1.00 1.02 O ATOM 373 CB GLN A 23 14.860 -11.108 -6.912 1.00 0.90 C ATOM 374 CG GLN A 23 14.607 -11.822 -8.217 1.00 1.04 C ATOM 375 CD GLN A 23 13.750 -13.066 -8.056 1.00 0.92 C ATOM 376 OE1 GLN A 23 12.896 -13.088 -7.037 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 13.863 -14.007 -8.835 1.00 0.69 N flip ATOM 0 H GLN A 23 15.798 -10.462 -4.418 1.00 0.68 H new ATOM 0 HA GLN A 23 15.562 -12.940 -6.031 1.00 0.81 H new ATOM 0 HB2 GLN A 23 13.905 -10.917 -6.423 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.310 -10.138 -7.122 1.00 0.90 H new ATOM 0 HG2 GLN A 23 14.118 -11.138 -8.910 1.00 1.04 H new ATOM 0 HG3 GLN A 23 15.562 -12.100 -8.664 1.00 1.04 H new ATOM 0 HE21 GLN A 23 14.529 -13.954 -9.606 1.00 0.69 H new ATOM 0 HE22 GLN A 23 13.291 -14.842 -8.712 1.00 0.69 H new ATOM 386 N GLY A 24 18.099 -12.530 -6.096 1.00 1.03 N ATOM 387 CA GLY A 24 19.507 -12.269 -6.282 1.00 1.19 C ATOM 388 C GLY A 24 20.004 -11.266 -5.269 1.00 1.23 C ATOM 389 O GLY A 24 20.449 -11.637 -4.187 1.00 1.33 O ATOM 0 H GLY A 24 17.871 -13.482 -5.810 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.069 -13.198 -6.187 1.00 1.19 H new ATOM 0 HA3 GLY A 24 19.682 -11.892 -7.290 1.00 1.19 H new ATOM 393 N GLU A 25 19.895 -9.990 -5.606 1.00 1.27 N ATOM 394 CA GLU A 25 20.297 -8.922 -4.705 1.00 1.43 C ATOM 395 C GLU A 25 19.221 -7.850 -4.625 1.00 1.40 C ATOM 396 O GLU A 25 19.450 -6.747 -4.119 1.00 1.61 O ATOM 397 CB GLU A 25 21.617 -8.322 -5.166 1.00 1.67 C ATOM 398 CG GLU A 25 22.720 -9.353 -5.271 1.00 1.84 C ATOM 399 CD GLU A 25 24.045 -8.737 -5.656 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.220 -8.369 -6.834 1.00 2.21 O ATOM 401 OE2 GLU A 25 24.913 -8.608 -4.767 1.00 2.33 O ATOM 0 H GLU A 25 19.529 -9.668 -6.502 1.00 1.27 H new ATOM 0 HA GLU A 25 20.430 -9.340 -3.707 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.476 -7.846 -6.136 1.00 1.67 H new ATOM 0 HB3 GLU A 25 21.920 -7.541 -4.469 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.825 -9.868 -4.316 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.443 -10.105 -6.010 1.00 1.84 H new ATOM 408 N ASN A 26 18.040 -8.187 -5.111 1.00 1.21 N ATOM 409 CA ASN A 26 16.922 -7.258 -5.109 1.00 1.23 C ATOM 410 C ASN A 26 15.892 -7.708 -4.091 1.00 1.05 C ATOM 411 O ASN A 26 15.870 -8.874 -3.695 1.00 1.06 O ATOM 412 CB ASN A 26 16.256 -7.190 -6.487 1.00 1.31 C ATOM 413 CG ASN A 26 17.257 -7.105 -7.614 1.00 1.39 C ATOM 414 OD1 ASN A 26 17.660 -6.019 -8.027 1.00 1.87 O ATOM 415 ND2 ASN A 26 17.662 -8.259 -8.118 1.00 1.33 N ATOM 0 H ASN A 26 17.829 -9.100 -5.514 1.00 1.21 H new ATOM 0 HA ASN A 26 17.304 -6.270 -4.854 1.00 1.23 H new ATOM 0 HB2 ASN A 26 15.631 -8.072 -6.628 1.00 1.31 H new ATOM 0 HB3 ASN A 26 15.597 -6.322 -6.525 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.337 -8.273 -8.882 1.00 1.33 H new ATOM 0 HD22 ASN A 26 17.299 -9.135 -7.742 1.00 1.33 H new ATOM 422 N LEU A 27 15.044 -6.790 -3.674 1.00 0.95 N ATOM 423 CA LEU A 27 13.944 -7.119 -2.798 1.00 0.82 C ATOM 424 C LEU A 27 12.652 -6.934 -3.542 1.00 0.71 C ATOM 425 O LEU A 27 12.339 -5.844 -4.015 1.00 0.81 O ATOM 426 CB LEU A 27 13.961 -6.265 -1.536 1.00 0.93 C ATOM 427 CG LEU A 27 14.705 -6.882 -0.357 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.182 -7.072 -0.675 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.529 -6.024 0.880 1.00 1.62 C ATOM 0 H LEU A 27 15.099 -5.804 -3.931 1.00 0.95 H new ATOM 0 HA LEU A 27 14.043 -8.159 -2.486 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.416 -5.303 -1.771 1.00 0.93 H new ATOM 0 HB3 LEU A 27 12.932 -6.066 -1.235 1.00 0.93 H new ATOM 0 HG LEU A 27 14.279 -7.867 -0.164 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.685 -7.514 0.185 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.287 -7.733 -1.536 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.632 -6.106 -0.902 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.065 -6.475 1.715 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.926 -5.027 0.691 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.469 -5.952 1.125 1.00 1.62 H new ATOM 441 N ILE A 28 11.918 -8.009 -3.668 1.00 0.57 N ATOM 442 CA ILE A 28 10.693 -7.988 -4.412 1.00 0.52 C ATOM 443 C ILE A 28 9.515 -7.846 -3.467 1.00 0.44 C ATOM 444 O ILE A 28 9.205 -8.746 -2.685 1.00 0.43 O ATOM 445 CB ILE A 28 10.532 -9.255 -5.281 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.725 -9.402 -6.230 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.225 -9.217 -6.060 1.00 0.47 C ATOM 448 CD1 ILE A 28 11.992 -8.174 -7.075 1.00 0.80 C ATOM 0 H ILE A 28 12.153 -8.914 -3.261 1.00 0.57 H new ATOM 0 HA ILE A 28 10.723 -7.130 -5.083 1.00 0.52 H new ATOM 0 HB ILE A 28 10.504 -10.123 -4.622 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.616 -9.629 -5.645 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.550 -10.253 -6.888 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.135 -10.120 -6.664 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.388 -9.161 -5.364 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.215 -8.343 -6.711 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.851 -8.356 -7.720 1.00 0.80 H new ATOM 0 HD12 ILE A 28 11.117 -7.957 -7.688 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.200 -7.324 -6.426 1.00 0.80 H new ATOM 460 N LEU A 29 8.910 -6.679 -3.522 1.00 0.51 N ATOM 461 CA LEU A 29 7.707 -6.382 -2.771 1.00 0.55 C ATOM 462 C LEU A 29 6.501 -6.884 -3.546 1.00 0.73 C ATOM 463 O LEU A 29 5.452 -7.187 -2.979 1.00 1.74 O ATOM 464 CB LEU A 29 7.600 -4.871 -2.516 1.00 0.71 C ATOM 465 CG LEU A 29 8.238 -3.975 -3.588 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.550 -2.622 -3.631 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.721 -3.780 -3.301 1.00 1.33 C ATOM 0 H LEU A 29 9.241 -5.902 -4.094 1.00 0.51 H new ATOM 0 HA LEU A 29 7.744 -6.884 -1.804 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.546 -4.608 -2.428 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.066 -4.648 -1.556 1.00 0.71 H new ATOM 0 HG LEU A 29 8.120 -4.466 -4.554 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.016 -2.001 -4.396 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.494 -2.758 -3.867 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.645 -2.134 -2.661 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.160 -3.143 -4.069 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.844 -3.309 -2.326 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.222 -4.748 -3.303 1.00 1.33 H new ATOM 479 N GLY A 30 6.671 -6.970 -4.857 1.00 0.40 N ATOM 480 CA GLY A 30 5.647 -7.533 -5.707 1.00 0.32 C ATOM 481 C GLY A 30 4.720 -6.482 -6.278 1.00 0.35 C ATOM 482 O GLY A 30 4.172 -6.645 -7.361 1.00 0.69 O ATOM 0 H GLY A 30 7.508 -6.657 -5.349 1.00 0.40 H new ATOM 0 HA2 GLY A 30 6.118 -8.079 -6.524 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.063 -8.255 -5.136 1.00 0.32 H new ATOM 486 N PHE A 31 4.572 -5.382 -5.575 1.00 0.29 N ATOM 487 CA PHE A 31 3.611 -4.375 -5.955 1.00 0.28 C ATOM 488 C PHE A 31 4.299 -3.112 -6.457 1.00 0.31 C ATOM 489 O PHE A 31 5.424 -2.806 -6.064 1.00 0.42 O ATOM 490 CB PHE A 31 2.715 -4.055 -4.758 1.00 0.28 C ATOM 491 CG PHE A 31 3.456 -3.705 -3.488 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.912 -2.415 -3.254 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.677 -4.667 -2.520 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.571 -2.097 -2.082 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.338 -4.359 -1.347 1.00 0.42 C ATOM 496 CZ PHE A 31 4.785 -3.072 -1.128 1.00 0.51 C ATOM 0 H PHE A 31 5.107 -5.163 -4.735 1.00 0.29 H new ATOM 0 HA PHE A 31 3.004 -4.764 -6.773 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.063 -3.223 -5.022 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.073 -4.914 -4.563 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.749 -1.649 -3.998 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.327 -5.676 -2.684 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.918 -1.088 -1.913 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.505 -5.124 -0.603 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.302 -2.828 -0.212 1.00 0.51 H new ATOM 506 N SER A 32 3.616 -2.400 -7.341 1.00 0.25 N ATOM 507 CA SER A 32 4.107 -1.130 -7.834 1.00 0.23 C ATOM 508 C SER A 32 3.356 -0.038 -7.109 1.00 0.23 C ATOM 509 O SER A 32 2.267 -0.279 -6.609 1.00 0.29 O ATOM 510 CB SER A 32 3.904 -1.011 -9.341 1.00 0.25 C ATOM 511 OG SER A 32 4.620 0.091 -9.877 1.00 0.53 O ATOM 0 H SER A 32 2.717 -2.685 -7.730 1.00 0.25 H new ATOM 0 HA SER A 32 5.178 -1.046 -7.649 1.00 0.23 H new ATOM 0 HB2 SER A 32 4.232 -1.930 -9.827 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.842 -0.897 -9.558 1.00 0.25 H new ATOM 0 HG SER A 32 4.471 0.139 -10.844 1.00 0.53 H new ATOM 517 N ILE A 33 3.905 1.151 -7.061 1.00 0.23 N ATOM 518 CA ILE A 33 3.431 2.135 -6.105 1.00 0.25 C ATOM 519 C ILE A 33 3.816 3.553 -6.490 1.00 0.25 C ATOM 520 O ILE A 33 4.893 3.785 -7.031 1.00 0.32 O ATOM 521 CB ILE A 33 4.038 1.814 -4.712 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.039 3.049 -3.799 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.443 1.264 -4.880 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.070 2.996 -2.691 1.00 0.37 C ATOM 0 H ILE A 33 4.669 1.463 -7.661 1.00 0.23 H new ATOM 0 HA ILE A 33 2.343 2.080 -6.088 1.00 0.25 H new ATOM 0 HB ILE A 33 3.415 1.060 -4.231 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.218 3.936 -4.406 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.050 3.161 -3.355 1.00 0.33 H new ATOM 0 HG21 ILE A 33 5.866 1.040 -3.901 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.408 0.353 -5.477 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.066 2.004 -5.383 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.007 3.904 -2.091 1.00 0.37 H new ATOM 0 HD12 ILE A 33 4.880 2.129 -2.058 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.067 2.917 -3.125 1.00 0.37 H new ATOM 536 N GLY A 34 2.915 4.488 -6.227 1.00 0.26 N ATOM 537 CA GLY A 34 3.314 5.857 -6.031 1.00 0.43 C ATOM 538 C GLY A 34 2.528 6.466 -4.899 1.00 0.30 C ATOM 539 O GLY A 34 1.304 6.478 -4.897 1.00 0.72 O ATOM 0 H GLY A 34 1.913 4.317 -6.147 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.381 5.906 -5.811 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.151 6.427 -6.946 1.00 0.43 H new ATOM 543 N GLY A 35 3.236 6.865 -3.882 1.00 0.77 N ATOM 544 CA GLY A 35 2.642 7.603 -2.795 1.00 0.93 C ATOM 545 C GLY A 35 3.554 8.675 -2.302 1.00 0.73 C ATOM 546 O GLY A 35 4.655 8.358 -1.892 1.00 1.42 O ATOM 0 H GLY A 35 4.236 6.691 -3.779 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.702 8.046 -3.125 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.404 6.922 -1.978 1.00 0.93 H new ATOM 550 N GLY A 36 3.182 9.922 -2.360 1.00 0.40 N ATOM 551 CA GLY A 36 4.064 10.901 -1.784 1.00 0.39 C ATOM 552 C GLY A 36 3.421 12.257 -1.626 1.00 0.35 C ATOM 553 O GLY A 36 2.583 12.647 -2.440 1.00 0.48 O ATOM 0 H GLY A 36 2.321 10.275 -2.777 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.400 10.549 -0.809 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.950 10.997 -2.411 1.00 0.39 H new ATOM 557 N ILE A 37 3.795 12.977 -0.587 1.00 0.37 N ATOM 558 CA ILE A 37 3.760 14.426 -0.654 1.00 0.41 C ATOM 559 C ILE A 37 4.826 14.863 -1.631 1.00 0.38 C ATOM 560 O ILE A 37 4.812 15.969 -2.152 1.00 0.46 O ATOM 561 CB ILE A 37 4.029 15.059 0.700 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.014 14.185 1.460 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.727 15.228 1.466 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.830 14.941 2.487 1.00 0.49 C ATOM 0 H ILE A 37 4.121 12.592 0.299 1.00 0.37 H new ATOM 0 HA ILE A 37 2.768 14.746 -0.972 1.00 0.41 H new ATOM 0 HB ILE A 37 4.464 16.051 0.574 1.00 0.43 H new ATOM 0 HG12 ILE A 37 4.467 13.386 1.960 1.00 0.47 H new ATOM 0 HG13 ILE A 37 5.690 13.711 0.748 1.00 0.47 H new ATOM 0 HG21 ILE A 37 2.932 15.683 2.435 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.052 15.870 0.899 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.262 14.253 1.613 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.510 14.253 2.989 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.405 15.723 1.991 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.163 15.392 3.221 1.00 0.49 H new ATOM 576 N ASP A 38 5.762 13.950 -1.853 1.00 0.35 N ATOM 577 CA ASP A 38 6.727 14.073 -2.922 1.00 0.40 C ATOM 578 C ASP A 38 6.001 14.166 -4.254 1.00 0.56 C ATOM 579 O ASP A 38 6.407 14.890 -5.163 1.00 0.69 O ATOM 580 CB ASP A 38 7.642 12.861 -2.947 1.00 0.39 C ATOM 581 CG ASP A 38 8.330 12.662 -4.276 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.272 13.411 -4.591 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.922 11.739 -5.008 1.00 0.72 O ATOM 0 H ASP A 38 5.868 13.104 -1.293 1.00 0.35 H new ATOM 0 HA ASP A 38 7.321 14.972 -2.754 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.396 12.967 -2.167 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.061 11.970 -2.709 1.00 0.39 H new ATOM 588 N GLN A 39 4.900 13.412 -4.345 1.00 0.63 N ATOM 589 CA GLN A 39 4.126 13.335 -5.580 1.00 0.85 C ATOM 590 C GLN A 39 3.402 14.656 -5.819 1.00 0.93 C ATOM 591 O GLN A 39 3.396 15.183 -6.929 1.00 1.19 O ATOM 592 CB GLN A 39 3.119 12.176 -5.512 1.00 0.98 C ATOM 593 CG GLN A 39 3.758 10.802 -5.372 1.00 1.00 C ATOM 594 CD GLN A 39 4.608 10.418 -6.563 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.114 9.860 -7.538 1.00 0.78 O ATOM 596 NE2 GLN A 39 5.896 10.700 -6.486 1.00 0.82 N ATOM 0 H GLN A 39 4.529 12.850 -3.579 1.00 0.63 H new ATOM 0 HA GLN A 39 4.806 13.148 -6.412 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.449 12.341 -4.668 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.506 12.189 -6.413 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.374 10.784 -4.473 1.00 1.00 H new ATOM 0 HG3 GLN A 39 2.975 10.056 -5.237 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.268 11.165 -5.658 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.519 10.453 -7.255 1.00 0.82 H new ATOM 815 N GLY A 54 -1.652 10.487 0.316 1.00 0.78 N ATOM 816 CA GLY A 54 -0.637 9.818 1.106 1.00 0.65 C ATOM 817 C GLY A 54 0.294 8.999 0.239 1.00 0.53 C ATOM 818 O GLY A 54 0.786 9.484 -0.792 1.00 0.57 O ATOM 0 HA2 GLY A 54 -0.061 10.558 1.661 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.115 9.170 1.840 1.00 0.65 H new ATOM 822 N ILE A 55 0.552 7.763 0.648 1.00 0.48 N ATOM 823 CA ILE A 55 1.298 6.852 -0.191 1.00 0.40 C ATOM 824 C ILE A 55 0.329 5.773 -0.639 1.00 0.33 C ATOM 825 O ILE A 55 -0.581 5.472 0.105 1.00 0.43 O ATOM 826 CB ILE A 55 2.537 6.264 0.548 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.703 7.261 0.540 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.994 4.966 -0.101 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.482 8.567 1.282 1.00 0.54 C ATOM 0 H ILE A 55 0.257 7.378 1.545 1.00 0.48 H new ATOM 0 HA ILE A 55 1.707 7.374 -1.056 1.00 0.40 H new ATOM 0 HB ILE A 55 2.236 6.066 1.577 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.576 6.769 0.968 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.945 7.494 -0.497 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.860 4.577 0.434 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.186 4.236 -0.063 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.264 5.154 -1.140 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.376 9.186 1.204 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.635 9.096 0.844 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.276 8.359 2.332 1.00 0.54 H new ATOM 841 N TYR A 56 0.423 5.254 -1.867 1.00 0.25 N ATOM 842 CA TYR A 56 -0.526 4.239 -2.285 1.00 0.23 C ATOM 843 C TYR A 56 0.036 3.350 -3.379 1.00 0.18 C ATOM 844 O TYR A 56 0.854 3.769 -4.198 1.00 0.28 O ATOM 845 CB TYR A 56 -1.872 4.855 -2.696 1.00 0.36 C ATOM 846 CG TYR A 56 -1.773 6.024 -3.632 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.107 7.172 -3.255 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.338 5.965 -4.890 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.009 8.247 -4.115 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.255 7.024 -5.762 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.590 8.189 -5.347 1.00 1.01 C ATOM 852 OH TYR A 56 -1.498 9.242 -6.231 1.00 1.42 O ATOM 0 H TYR A 56 1.123 5.513 -2.562 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.709 3.603 -1.419 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.480 4.082 -3.166 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.400 5.172 -1.796 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.657 7.230 -2.275 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.856 5.068 -5.195 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.472 9.134 -3.812 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.693 6.961 -6.747 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.973 9.017 -7.058 1.00 1.42 H new ATOM 862 N VAL A 57 -0.405 2.114 -3.357 1.00 0.18 N ATOM 863 CA VAL A 57 0.078 1.107 -4.258 1.00 0.17 C ATOM 864 C VAL A 57 -0.721 1.123 -5.547 1.00 0.16 C ATOM 865 O VAL A 57 -1.943 1.264 -5.535 1.00 0.22 O ATOM 866 CB VAL A 57 0.030 -0.276 -3.576 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.323 -0.957 -3.667 1.00 0.51 C ATOM 868 CG2 VAL A 57 1.113 -1.172 -4.112 1.00 0.58 C ATOM 0 H VAL A 57 -1.116 1.781 -2.705 1.00 0.18 H new ATOM 0 HA VAL A 57 1.116 1.321 -4.513 1.00 0.17 H new ATOM 0 HB VAL A 57 0.204 -0.093 -2.516 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.278 -1.924 -3.165 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.077 -0.333 -3.187 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.587 -1.104 -4.714 1.00 0.51 H new ATOM 0 HG21 VAL A 57 1.061 -2.142 -3.617 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.978 -1.304 -5.185 1.00 0.58 H new ATOM 0 HG23 VAL A 57 2.086 -0.720 -3.922 1.00 0.58 H new ATOM 878 N THR A 58 -0.005 1.014 -6.652 1.00 0.17 N ATOM 879 CA THR A 58 -0.588 1.070 -7.976 1.00 0.24 C ATOM 880 C THR A 58 -0.640 -0.328 -8.605 1.00 0.38 C ATOM 881 O THR A 58 -1.287 -0.541 -9.624 1.00 1.11 O ATOM 882 CB THR A 58 0.232 2.027 -8.867 1.00 0.39 C ATOM 883 OG1 THR A 58 0.287 3.322 -8.255 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.363 2.149 -10.260 1.00 0.69 C ATOM 0 H THR A 58 1.007 0.883 -6.653 1.00 0.17 H new ATOM 0 HA THR A 58 -1.608 1.444 -7.893 1.00 0.24 H new ATOM 0 HB THR A 58 1.236 1.614 -8.966 1.00 0.39 H new ATOM 0 HG1 THR A 58 0.809 3.929 -8.820 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.243 2.831 -10.856 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.380 1.168 -10.736 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.380 2.535 -10.189 1.00 0.69 H new ATOM 892 N ARG A 59 0.044 -1.283 -7.997 1.00 0.31 N ATOM 893 CA ARG A 59 -0.001 -2.660 -8.476 1.00 0.26 C ATOM 894 C ARG A 59 0.078 -3.683 -7.356 1.00 0.26 C ATOM 895 O ARG A 59 -0.095 -3.351 -6.185 1.00 0.27 O ATOM 896 CB ARG A 59 1.112 -2.933 -9.482 1.00 0.26 C ATOM 897 CG ARG A 59 0.771 -2.474 -10.877 1.00 0.34 C ATOM 898 CD ARG A 59 1.784 -2.972 -11.892 1.00 0.45 C ATOM 899 NE ARG A 59 1.403 -2.625 -13.258 1.00 1.06 N ATOM 900 CZ ARG A 59 1.448 -3.474 -14.283 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.881 -4.722 -14.108 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.056 -3.066 -15.482 1.00 2.27 N ATOM 0 H ARG A 59 0.633 -1.135 -7.178 1.00 0.31 H new ATOM 0 HA ARG A 59 -0.971 -2.769 -8.961 1.00 0.26 H new ATOM 0 HB2 ARG A 59 2.022 -2.432 -9.153 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.325 -4.002 -9.499 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.222 -2.834 -11.147 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.734 -1.385 -10.903 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.762 -2.545 -11.668 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.882 -4.054 -11.806 1.00 0.45 H new ATOM 0 HE ARG A 59 1.083 -1.674 -13.438 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.181 -5.033 -13.184 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.912 -5.366 -14.898 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.724 -2.110 -15.612 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.086 -3.708 -16.274 1.00 2.27 H new ATOM 916 N VAL A 60 0.248 -4.932 -7.794 1.00 0.26 N ATOM 917 CA VAL A 60 0.611 -6.102 -6.977 1.00 0.27 C ATOM 918 C VAL A 60 0.923 -7.235 -7.951 1.00 0.36 C ATOM 919 O VAL A 60 0.321 -7.300 -9.023 1.00 0.51 O ATOM 920 CB VAL A 60 -0.493 -6.608 -5.994 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.084 -7.942 -5.394 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.745 -5.645 -4.859 1.00 0.75 C ATOM 0 H VAL A 60 0.131 -5.172 -8.778 1.00 0.26 H new ATOM 0 HA VAL A 60 1.447 -5.799 -6.347 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.408 -6.702 -6.579 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.860 -8.287 -4.710 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.049 -8.674 -6.191 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.853 -7.824 -4.850 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.521 -6.046 -4.207 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.173 -5.507 -4.288 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.070 -4.685 -5.261 1.00 0.75 H new ATOM 932 N SER A 61 1.862 -8.106 -7.614 1.00 0.45 N ATOM 933 CA SER A 61 2.182 -9.213 -8.490 1.00 0.56 C ATOM 934 C SER A 61 1.484 -10.479 -8.079 1.00 0.56 C ATOM 935 O SER A 61 1.623 -10.959 -6.949 1.00 0.64 O ATOM 936 CB SER A 61 3.667 -9.479 -8.532 1.00 0.72 C ATOM 937 OG SER A 61 4.184 -9.702 -7.229 1.00 1.65 O ATOM 0 H SER A 61 2.407 -8.066 -6.752 1.00 0.45 H new ATOM 0 HA SER A 61 1.835 -8.918 -9.480 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.866 -10.348 -9.159 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.178 -8.632 -8.989 1.00 0.72 H new ATOM 0 HG SER A 61 3.494 -10.116 -6.670 1.00 1.65 H new ATOM 943 N GLU A 62 0.750 -11.001 -9.021 1.00 0.68 N ATOM 944 CA GLU A 62 0.174 -12.311 -8.930 1.00 0.73 C ATOM 945 C GLU A 62 1.261 -13.365 -8.922 1.00 0.74 C ATOM 946 O GLU A 62 1.967 -13.567 -9.913 1.00 0.84 O ATOM 947 CB GLU A 62 -0.735 -12.477 -10.118 1.00 0.86 C ATOM 948 CG GLU A 62 -2.115 -11.896 -9.873 1.00 1.45 C ATOM 949 CD GLU A 62 -2.983 -11.868 -11.113 1.00 1.62 C ATOM 950 OE1 GLU A 62 -3.097 -12.914 -11.782 1.00 1.75 O ATOM 951 OE2 GLU A 62 -3.579 -10.806 -11.407 1.00 1.85 O ATOM 0 H GLU A 62 0.531 -10.517 -9.892 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.389 -12.428 -8.004 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.288 -11.992 -10.985 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.827 -13.536 -10.357 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.616 -12.480 -9.101 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -2.011 -10.882 -9.488 1.00 1.45 H new ATOM 958 N GLY A 63 1.394 -14.021 -7.793 1.00 0.76 N ATOM 959 CA GLY A 63 2.426 -15.012 -7.629 1.00 0.86 C ATOM 960 C GLY A 63 3.600 -14.503 -6.814 1.00 0.80 C ATOM 961 O GLY A 63 4.543 -15.246 -6.546 1.00 0.92 O ATOM 0 H GLY A 63 0.799 -13.885 -6.976 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.005 -15.892 -7.143 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.780 -15.329 -8.610 1.00 0.86 H new ATOM 965 N GLY A 64 3.551 -13.233 -6.427 1.00 0.67 N ATOM 966 CA GLY A 64 4.613 -12.673 -5.609 1.00 0.66 C ATOM 967 C GLY A 64 4.315 -12.803 -4.144 1.00 0.63 C ATOM 968 O GLY A 64 3.845 -13.837 -3.693 1.00 0.99 O ATOM 0 H GLY A 64 2.800 -12.584 -6.663 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.552 -13.179 -5.835 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.749 -11.621 -5.860 1.00 0.66 H new ATOM 972 N PRO A 65 4.624 -11.772 -3.367 1.00 0.37 N ATOM 973 CA PRO A 65 4.366 -11.760 -1.948 1.00 0.27 C ATOM 974 C PRO A 65 3.144 -10.953 -1.523 1.00 0.23 C ATOM 975 O PRO A 65 2.309 -11.436 -0.763 1.00 0.29 O ATOM 976 CB PRO A 65 5.656 -11.154 -1.437 1.00 0.32 C ATOM 977 CG PRO A 65 6.157 -10.247 -2.531 1.00 0.43 C ATOM 978 CD PRO A 65 5.367 -10.578 -3.776 1.00 0.44 C ATOM 0 HA PRO A 65 4.120 -12.746 -1.554 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.486 -10.596 -0.516 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.387 -11.930 -1.209 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.023 -9.201 -2.256 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.223 -10.398 -2.699 1.00 0.43 H new ATOM 0 HD2 PRO A 65 4.702 -9.764 -4.064 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.016 -10.776 -4.629 1.00 0.44 H new ATOM 986 N ALA A 66 3.059 -9.728 -1.995 1.00 0.22 N ATOM 987 CA ALA A 66 1.953 -8.843 -1.713 1.00 0.24 C ATOM 988 C ALA A 66 0.583 -9.475 -1.967 1.00 0.29 C ATOM 989 O ALA A 66 -0.392 -9.123 -1.310 1.00 0.36 O ATOM 990 CB ALA A 66 2.127 -7.620 -2.565 1.00 0.27 C ATOM 0 H ALA A 66 3.771 -9.313 -2.596 1.00 0.22 H new ATOM 0 HA ALA A 66 1.969 -8.602 -0.650 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.307 -6.927 -2.378 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.073 -7.138 -2.320 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.127 -7.906 -3.617 1.00 0.27 H new ATOM 996 N GLU A 67 0.502 -10.408 -2.908 1.00 0.30 N ATOM 997 CA GLU A 67 -0.771 -11.052 -3.216 1.00 0.42 C ATOM 998 C GLU A 67 -1.158 -11.982 -2.075 1.00 0.39 C ATOM 999 O GLU A 67 -2.333 -12.150 -1.746 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.673 -11.841 -4.523 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.948 -12.593 -4.869 1.00 0.77 C ATOM 1002 CD GLU A 67 -1.776 -13.553 -6.028 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.669 -14.097 -6.195 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -2.760 -13.791 -6.758 1.00 1.79 O ATOM 0 H GLU A 67 1.292 -10.733 -3.466 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.535 -10.284 -3.335 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.432 -11.156 -5.336 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.151 -12.551 -4.450 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.285 -13.147 -3.993 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.731 -11.875 -5.113 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.136 -12.540 -1.455 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.299 -13.490 -0.372 1.00 0.31 C ATOM 1013 C ILE A 68 -0.610 -12.724 0.897 1.00 0.28 C ATOM 1014 O ILE A 68 -1.405 -13.151 1.733 1.00 0.34 O ATOM 1015 CB ILE A 68 0.984 -14.339 -0.191 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.167 -15.316 -1.363 1.00 0.39 C ATOM 1017 CG2 ILE A 68 0.960 -15.098 1.127 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.248 -14.654 -2.718 1.00 0.51 C ATOM 0 H ILE A 68 0.837 -12.345 -1.690 1.00 0.31 H new ATOM 0 HA ILE A 68 -1.117 -14.172 -0.603 1.00 0.31 H new ATOM 0 HB ILE A 68 1.831 -13.653 -0.176 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.076 -15.895 -1.200 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.336 -16.022 -1.366 1.00 0.39 H new ATOM 0 HG21 ILE A 68 1.873 -15.685 1.226 1.00 0.32 H new ATOM 0 HG22 ILE A 68 0.892 -14.390 1.953 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.097 -15.764 1.148 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.377 -15.415 -3.488 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.329 -14.099 -2.907 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.096 -13.970 -2.739 1.00 0.51 H new ATOM 1030 N ALA A 69 0.027 -11.570 1.009 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.247 -10.646 2.086 1.00 0.24 C ATOM 1032 C ALA A 69 -1.664 -10.099 1.953 1.00 0.31 C ATOM 1033 O ALA A 69 -2.350 -9.882 2.952 1.00 0.41 O ATOM 1034 CB ALA A 69 0.781 -9.527 2.079 1.00 0.24 C ATOM 0 H ALA A 69 0.744 -11.253 0.357 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.175 -11.166 3.041 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.569 -8.834 2.893 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.778 -9.948 2.211 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.734 -8.996 1.128 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.110 -9.906 0.712 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.476 -9.467 0.486 1.00 0.41 C ATOM 1042 C GLY A 70 -3.597 -8.037 -0.013 1.00 0.36 C ATOM 1043 O GLY A 70 -4.569 -7.356 0.301 1.00 0.45 O ATOM 0 H GLY A 70 -1.555 -10.045 -0.132 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.945 -10.133 -0.238 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.035 -9.564 1.417 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.631 -7.583 -0.798 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.664 -6.225 -1.334 1.00 0.30 C ATOM 1049 C LEU A 71 -3.378 -6.228 -2.685 1.00 0.24 C ATOM 1050 O LEU A 71 -3.408 -7.262 -3.363 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.238 -5.691 -1.460 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.117 -4.179 -1.633 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.716 -3.465 -0.430 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.339 -3.792 -1.819 1.00 0.87 C ATOM 0 H LEU A 71 -1.817 -8.130 -1.079 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.214 -5.569 -0.659 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.679 -5.984 -0.571 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.760 -6.176 -2.311 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.670 -3.876 -2.522 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.624 -2.387 -0.564 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.769 -3.731 -0.336 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.184 -3.765 0.473 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.416 -2.712 -1.942 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.912 -4.099 -0.944 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.737 -4.287 -2.705 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.956 -5.091 -3.082 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.915 -5.093 -4.184 1.00 0.33 C ATOM 1068 C GLN A 72 -4.652 -4.067 -5.285 1.00 0.25 C ATOM 1069 O GLN A 72 -5.609 -3.592 -5.899 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.285 -4.823 -3.624 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.632 -5.704 -2.444 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.707 -5.092 -1.585 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.651 -3.783 -1.432 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.545 -5.794 -1.011 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.780 -4.177 -2.666 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.821 -6.073 -4.651 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.346 -3.778 -3.319 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.027 -4.970 -4.409 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.964 -6.678 -2.803 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.739 -5.874 -1.842 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.552 -6.803 -1.158 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.230 -5.365 -0.389 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.392 -3.726 -5.564 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.077 -2.973 -6.773 1.00 0.26 C ATOM 1085 C ILE A 73 -3.550 -1.498 -6.714 1.00 0.23 C ATOM 1086 O ILE A 73 -3.319 -0.732 -7.647 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.712 -3.709 -7.991 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.262 -5.179 -8.013 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.351 -3.047 -9.304 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.934 -6.010 -9.084 1.00 0.77 C ATOM 0 H ILE A 73 -2.588 -3.956 -4.979 1.00 0.24 H new ATOM 0 HA ILE A 73 -1.992 -2.930 -6.873 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.795 -3.655 -7.876 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.183 -5.216 -8.162 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.465 -5.626 -7.040 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.815 -3.592 -10.126 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.710 -2.018 -9.303 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.268 -3.054 -9.429 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.564 -7.034 -9.035 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.012 -6.005 -8.925 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.710 -5.590 -10.065 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.133 -1.068 -5.597 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.774 0.240 -5.578 1.00 0.25 C ATOM 1104 C GLY A 74 -5.106 0.699 -4.178 1.00 0.29 C ATOM 1105 O GLY A 74 -6.190 1.223 -3.916 1.00 0.37 O ATOM 0 H GLY A 74 -4.174 -1.588 -4.721 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.117 0.970 -6.050 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.688 0.202 -6.171 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.145 0.550 -3.295 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.372 0.728 -1.864 1.00 0.34 C ATOM 1111 C ASP A 75 -3.499 1.837 -1.313 1.00 0.30 C ATOM 1112 O ASP A 75 -2.347 1.956 -1.679 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.095 -0.569 -1.111 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.133 -1.630 -1.375 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.244 -1.527 -0.820 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.833 -2.572 -2.135 1.00 0.89 O ATOM 0 H ASP A 75 -3.186 0.303 -3.539 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.417 1.003 -1.723 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.114 -0.948 -1.397 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.057 -0.362 -0.041 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.035 2.608 -0.394 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.375 3.806 0.087 1.00 0.28 C ATOM 1123 C LYS A 76 -2.613 3.529 1.380 1.00 0.28 C ATOM 1124 O LYS A 76 -3.181 3.427 2.448 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.397 4.934 0.281 1.00 0.34 C ATOM 1126 CG LYS A 76 -4.869 5.586 -1.021 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.575 4.603 -1.953 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.963 5.258 -3.272 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.568 4.286 -4.226 1.00 2.20 N ATOM 0 H LYS A 76 -4.939 2.425 0.042 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.650 4.124 -0.662 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.263 4.537 0.810 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -3.958 5.701 0.919 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.546 6.407 -0.786 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.012 6.018 -1.538 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.922 3.752 -2.147 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.468 4.214 -1.463 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.670 6.065 -3.081 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.080 5.708 -3.726 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.194 4.458 -5.181 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.332 3.317 -3.931 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -7.601 4.404 -4.233 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.320 3.403 1.249 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.426 3.104 2.354 1.00 0.27 C ATOM 1145 C ILE A 77 -0.423 4.198 3.414 1.00 0.25 C ATOM 1146 O ILE A 77 -0.171 5.391 3.119 1.00 0.29 O ATOM 1147 CB ILE A 77 0.990 2.915 1.809 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.983 1.732 0.848 1.00 0.36 C ATOM 1149 CG2 ILE A 77 2.038 2.745 2.919 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.347 2.115 -0.563 1.00 0.49 C ATOM 0 H ILE A 77 -0.840 3.506 0.355 1.00 0.28 H new ATOM 0 HA ILE A 77 -0.782 2.192 2.834 1.00 0.27 H new ATOM 0 HB ILE A 77 1.284 3.820 1.277 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.683 0.977 1.205 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.007 1.275 0.850 1.00 0.36 H new ATOM 0 HG21 ILE A 77 3.024 2.615 2.472 1.00 0.38 H new ATOM 0 HG22 ILE A 77 2.042 3.631 3.554 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.793 1.869 3.519 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.324 1.229 -1.198 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.632 2.848 -0.937 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.348 2.545 -0.576 1.00 0.49 H new ATOM 1162 N MET A 78 -0.737 3.756 4.638 1.00 0.22 N ATOM 1163 CA MET A 78 -0.681 4.576 5.838 1.00 0.24 C ATOM 1164 C MET A 78 0.673 4.463 6.521 1.00 0.24 C ATOM 1165 O MET A 78 1.033 5.298 7.351 1.00 0.30 O ATOM 1166 CB MET A 78 -1.752 4.130 6.841 1.00 0.33 C ATOM 1167 CG MET A 78 -3.150 3.990 6.265 1.00 0.32 C ATOM 1168 SD MET A 78 -3.953 5.575 5.938 1.00 0.75 S ATOM 1169 CE MET A 78 -2.901 6.216 4.639 1.00 1.06 C ATOM 0 H MET A 78 -1.042 2.799 4.817 1.00 0.22 H new ATOM 0 HA MET A 78 -0.851 5.607 5.529 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.453 3.172 7.267 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.783 4.848 7.660 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.097 3.420 5.338 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.765 3.416 6.958 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.435 6.990 4.087 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.998 6.640 5.078 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.629 5.408 3.959 1.00 1.06 H new ATOM 1179 N GLN A 79 1.404 3.409 6.193 1.00 0.23 N ATOM 1180 CA GLN A 79 2.663 3.117 6.866 1.00 0.23 C ATOM 1181 C GLN A 79 3.415 1.976 6.193 1.00 0.24 C ATOM 1182 O GLN A 79 2.811 1.084 5.598 1.00 0.24 O ATOM 1183 CB GLN A 79 2.401 2.777 8.339 1.00 0.26 C ATOM 1184 CG GLN A 79 3.406 1.819 8.947 1.00 0.54 C ATOM 1185 CD GLN A 79 3.183 1.625 10.421 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.493 0.699 10.848 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.746 2.521 11.204 1.00 0.43 N ATOM 0 H GLN A 79 1.149 2.741 5.466 1.00 0.23 H new ATOM 0 HA GLN A 79 3.288 4.007 6.801 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.401 3.700 8.918 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.405 2.344 8.428 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.340 0.856 8.441 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.414 2.198 8.780 1.00 0.54 H new ATOM 0 HE21 GLN A 79 4.309 3.270 10.800 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.619 2.467 12.215 1.00 0.43 H new ATOM 1196 N VAL A 80 4.734 2.008 6.311 1.00 0.28 N ATOM 1197 CA VAL A 80 5.573 0.915 5.845 1.00 0.35 C ATOM 1198 C VAL A 80 6.776 0.760 6.768 1.00 0.31 C ATOM 1199 O VAL A 80 7.465 1.732 7.078 1.00 0.31 O ATOM 1200 CB VAL A 80 6.050 1.091 4.377 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.105 2.179 4.255 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.577 -0.223 3.823 1.00 1.31 C ATOM 0 H VAL A 80 5.248 2.784 6.728 1.00 0.28 H new ATOM 0 HA VAL A 80 4.960 0.014 5.867 1.00 0.35 H new ATOM 0 HB VAL A 80 5.186 1.400 3.788 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.413 2.272 3.214 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.691 3.127 4.597 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.969 1.919 4.867 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.906 -0.078 2.794 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.418 -0.562 4.428 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.786 -0.972 3.849 1.00 1.31 H new ATOM 1212 N ASN A 81 6.976 -0.457 7.254 1.00 0.34 N ATOM 1213 CA ASN A 81 8.113 -0.776 8.123 1.00 0.38 C ATOM 1214 C ASN A 81 8.122 0.082 9.386 1.00 0.34 C ATOM 1215 O ASN A 81 9.158 0.222 10.033 1.00 0.40 O ATOM 1216 CB ASN A 81 9.450 -0.595 7.384 1.00 0.46 C ATOM 1217 CG ASN A 81 9.780 -1.720 6.416 1.00 0.70 C ATOM 1218 OD1 ASN A 81 10.939 -2.117 6.297 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.784 -2.217 5.694 1.00 1.18 N ATOM 0 H ASN A 81 6.363 -1.249 7.062 1.00 0.34 H new ATOM 0 HA ASN A 81 7.997 -1.821 8.410 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.425 0.347 6.836 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.251 -0.515 8.119 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.966 -2.954 5.012 1.00 1.18 H new ATOM 0 HD22 ASN A 81 7.836 -1.863 5.821 1.00 1.18 H new ATOM 1226 N GLY A 82 6.977 0.656 9.738 1.00 0.32 N ATOM 1227 CA GLY A 82 6.919 1.469 10.937 1.00 0.34 C ATOM 1228 C GLY A 82 6.925 2.966 10.653 1.00 0.31 C ATOM 1229 O GLY A 82 6.734 3.767 11.566 1.00 0.38 O ATOM 0 H GLY A 82 6.100 0.575 9.223 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.018 1.216 11.495 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.768 1.224 11.575 1.00 0.34 H new ATOM 1233 N TRP A 83 7.142 3.352 9.396 1.00 0.28 N ATOM 1234 CA TRP A 83 7.126 4.766 9.024 1.00 0.28 C ATOM 1235 C TRP A 83 5.719 5.207 8.741 1.00 0.29 C ATOM 1236 O TRP A 83 4.854 4.389 8.458 1.00 0.48 O ATOM 1237 CB TRP A 83 7.997 5.053 7.802 1.00 0.30 C ATOM 1238 CG TRP A 83 9.443 4.908 8.063 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.127 3.743 8.142 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.393 5.958 8.274 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.448 3.993 8.383 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.639 5.347 8.466 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.312 7.357 8.307 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.799 6.076 8.701 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.467 8.080 8.538 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.695 7.437 8.728 1.00 0.76 C ATOM 0 H TRP A 83 7.329 2.712 8.624 1.00 0.28 H new ATOM 0 HA TRP A 83 7.535 5.323 9.867 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.712 4.377 6.996 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.798 6.067 7.454 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.692 2.761 8.031 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.175 3.285 8.485 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.368 7.859 8.155 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.748 5.584 8.857 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.421 9.158 8.572 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.581 8.031 8.900 1.00 0.76 H new ATOM 1257 N ASP A 84 5.506 6.499 8.801 1.00 0.39 N ATOM 1258 CA ASP A 84 4.170 7.044 8.705 1.00 0.41 C ATOM 1259 C ASP A 84 3.904 7.619 7.330 1.00 0.40 C ATOM 1260 O ASP A 84 4.513 8.610 6.930 1.00 0.59 O ATOM 1261 CB ASP A 84 3.969 8.117 9.773 1.00 0.62 C ATOM 1262 CG ASP A 84 2.541 8.630 9.828 1.00 1.16 C ATOM 1263 OD1 ASP A 84 2.193 9.521 9.022 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.756 8.142 10.666 1.00 1.89 O ATOM 0 H ASP A 84 6.242 7.196 8.916 1.00 0.39 H new ATOM 0 HA ASP A 84 3.461 6.233 8.869 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.242 7.710 10.747 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.643 8.951 9.576 1.00 0.62 H new ATOM 1269 N MET A 85 2.990 6.995 6.606 1.00 0.36 N ATOM 1270 CA MET A 85 2.644 7.465 5.289 1.00 0.46 C ATOM 1271 C MET A 85 1.308 8.169 5.323 1.00 0.36 C ATOM 1272 O MET A 85 0.238 7.562 5.359 1.00 0.56 O ATOM 1273 CB MET A 85 2.637 6.325 4.268 1.00 0.76 C ATOM 1274 CG MET A 85 4.022 5.872 3.871 1.00 0.49 C ATOM 1275 SD MET A 85 4.940 5.164 5.242 1.00 1.01 S ATOM 1276 CE MET A 85 6.595 5.367 4.625 1.00 0.44 C ATOM 0 H MET A 85 2.480 6.166 6.912 1.00 0.36 H new ATOM 0 HA MET A 85 3.407 8.176 4.972 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.090 5.478 4.683 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.098 6.647 3.377 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.943 5.134 3.072 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.576 6.720 3.468 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.213 4.534 4.960 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.577 5.390 3.535 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.011 6.302 5.001 1.00 0.44 H new ATOM 1286 N THR A 86 1.420 9.464 5.340 1.00 0.31 N ATOM 1287 CA THR A 86 0.315 10.373 5.189 1.00 0.35 C ATOM 1288 C THR A 86 0.836 11.519 4.366 1.00 0.46 C ATOM 1289 O THR A 86 0.263 11.934 3.359 1.00 1.05 O ATOM 1290 CB THR A 86 -0.165 10.924 6.544 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.966 11.262 7.361 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.037 9.938 7.279 1.00 0.37 C ATOM 0 H THR A 86 2.315 9.937 5.464 1.00 0.31 H new ATOM 0 HA THR A 86 -0.529 9.860 4.728 1.00 0.35 H new ATOM 0 HB THR A 86 -0.762 11.813 6.342 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.152 10.528 7.983 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.352 10.369 8.229 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.915 9.708 6.675 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.475 9.023 7.464 1.00 0.37 H new ATOM 1300 N MET A 87 1.969 11.994 4.837 1.00 0.56 N ATOM 1301 CA MET A 87 2.748 12.995 4.165 1.00 0.65 C ATOM 1302 C MET A 87 4.201 12.569 4.171 1.00 0.76 C ATOM 1303 O MET A 87 5.009 13.059 4.957 1.00 1.49 O ATOM 1304 CB MET A 87 2.582 14.348 4.842 1.00 0.84 C ATOM 1305 CG MET A 87 1.714 14.300 6.097 1.00 0.97 C ATOM 1306 SD MET A 87 1.571 15.900 6.921 1.00 1.36 S ATOM 1307 CE MET A 87 0.541 15.463 8.319 1.00 1.62 C ATOM 0 H MET A 87 2.378 11.684 5.718 1.00 0.56 H new ATOM 0 HA MET A 87 2.403 13.096 3.136 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.566 14.737 5.105 1.00 0.84 H new ATOM 0 HB3 MET A 87 2.142 15.049 4.132 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.719 13.946 5.830 1.00 0.97 H new ATOM 0 HG3 MET A 87 2.134 13.575 6.794 1.00 0.97 H new ATOM 0 HE1 MET A 87 0.361 16.348 8.929 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.410 15.069 7.961 1.00 1.62 H new ATOM 0 HE3 MET A 87 1.045 14.705 8.919 1.00 1.62 H new ATOM 1317 N VAL A 88 4.500 11.608 3.323 1.00 0.40 N ATOM 1318 CA VAL A 88 5.841 11.113 3.148 1.00 0.45 C ATOM 1319 C VAL A 88 6.126 11.039 1.645 1.00 0.36 C ATOM 1320 O VAL A 88 5.231 10.741 0.870 1.00 0.39 O ATOM 1321 CB VAL A 88 5.969 9.740 3.865 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.547 8.651 2.982 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.797 9.896 5.127 1.00 1.09 C ATOM 0 H VAL A 88 3.809 11.146 2.732 1.00 0.40 H new ATOM 0 HA VAL A 88 6.585 11.773 3.595 1.00 0.45 H new ATOM 0 HB VAL A 88 4.959 9.419 4.119 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.608 7.720 3.546 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.904 8.508 2.113 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.544 8.942 2.652 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.884 8.931 5.627 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.791 10.261 4.867 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.312 10.608 5.795 1.00 1.09 H new ATOM 1333 N THR A 89 7.315 11.431 1.221 1.00 0.31 N ATOM 1334 CA THR A 89 7.674 11.372 -0.180 1.00 0.28 C ATOM 1335 C THR A 89 7.596 9.941 -0.735 1.00 0.26 C ATOM 1336 O THR A 89 7.745 8.971 0.007 1.00 0.26 O ATOM 1337 CB THR A 89 9.075 11.983 -0.378 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.050 11.268 0.387 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.054 13.445 0.055 1.00 0.35 C ATOM 0 H THR A 89 8.048 11.794 1.831 1.00 0.31 H new ATOM 0 HA THR A 89 6.950 11.958 -0.747 1.00 0.28 H new ATOM 0 HB THR A 89 9.344 11.913 -1.432 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.933 11.669 0.248 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.044 13.880 -0.084 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.329 13.993 -0.548 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.774 13.509 1.106 1.00 0.35 H new ATOM 1347 N HIS A 90 7.336 9.813 -2.043 1.00 0.26 N ATOM 1348 CA HIS A 90 7.191 8.496 -2.684 1.00 0.25 C ATOM 1349 C HIS A 90 8.430 7.683 -2.466 1.00 0.27 C ATOM 1350 O HIS A 90 8.396 6.474 -2.231 1.00 0.30 O ATOM 1351 CB HIS A 90 6.936 8.651 -4.183 1.00 0.25 C ATOM 1352 CG HIS A 90 6.861 7.352 -4.937 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.175 7.243 -6.269 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.494 6.102 -4.545 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.992 6.001 -6.662 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.586 5.287 -5.637 1.00 0.32 N ATOM 0 H HIS A 90 7.222 10.603 -2.678 1.00 0.26 H new ATOM 0 HA HIS A 90 6.338 7.987 -2.235 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.002 9.195 -4.326 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.730 9.262 -4.613 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.186 5.808 -3.552 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.150 5.629 -7.664 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.375 4.289 -5.654 1.00 0.32 H new ATOM 1365 N ASP A 91 9.510 8.390 -2.528 1.00 0.31 N ATOM 1366 CA ASP A 91 10.828 7.800 -2.390 1.00 0.34 C ATOM 1367 C ASP A 91 11.055 7.388 -0.970 1.00 0.32 C ATOM 1368 O ASP A 91 11.735 6.404 -0.715 1.00 0.33 O ATOM 1369 CB ASP A 91 11.927 8.760 -2.816 1.00 0.41 C ATOM 1370 CG ASP A 91 11.776 10.126 -2.187 1.00 1.03 C ATOM 1371 OD1 ASP A 91 10.836 10.854 -2.567 1.00 1.45 O ATOM 1372 OD2 ASP A 91 12.581 10.469 -1.298 1.00 1.67 O ATOM 0 H ASP A 91 9.518 9.399 -2.676 1.00 0.31 H new ATOM 0 HA ASP A 91 10.867 6.930 -3.045 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.896 8.343 -2.543 1.00 0.41 H new ATOM 0 HB3 ASP A 91 11.918 8.860 -3.901 1.00 0.41 H new ATOM 1377 N GLN A 92 10.463 8.127 -0.042 1.00 0.31 N ATOM 1378 CA GLN A 92 10.619 7.808 1.349 1.00 0.32 C ATOM 1379 C GLN A 92 9.962 6.472 1.602 1.00 0.29 C ATOM 1380 O GLN A 92 10.487 5.620 2.310 1.00 0.31 O ATOM 1381 CB GLN A 92 9.964 8.876 2.205 1.00 0.36 C ATOM 1382 CG GLN A 92 9.791 8.453 3.637 1.00 0.42 C ATOM 1383 CD GLN A 92 10.923 8.910 4.514 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.944 8.232 4.657 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.735 10.061 5.123 1.00 0.62 N ATOM 0 H GLN A 92 9.879 8.941 -0.235 1.00 0.31 H new ATOM 0 HA GLN A 92 11.677 7.763 1.606 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.567 9.783 2.170 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.990 9.124 1.785 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.853 8.856 4.020 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.715 7.367 3.685 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.872 10.584 4.971 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.452 10.431 5.747 1.00 0.62 H new ATOM 1394 N ALA A 93 8.833 6.288 0.950 1.00 0.27 N ATOM 1395 CA ALA A 93 8.041 5.093 1.127 1.00 0.28 C ATOM 1396 C ALA A 93 8.701 3.929 0.413 1.00 0.28 C ATOM 1397 O ALA A 93 8.797 2.823 0.946 1.00 0.33 O ATOM 1398 CB ALA A 93 6.626 5.323 0.618 1.00 0.33 C ATOM 0 H ALA A 93 8.442 6.958 0.288 1.00 0.27 H new ATOM 0 HA ALA A 93 7.980 4.852 2.188 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.038 4.416 0.756 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.168 6.141 1.174 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.657 5.577 -0.441 1.00 0.33 H new ATOM 1404 N ARG A 94 9.201 4.208 -0.782 1.00 0.27 N ATOM 1405 CA ARG A 94 9.840 3.194 -1.599 1.00 0.30 C ATOM 1406 C ARG A 94 11.155 2.745 -0.969 1.00 0.33 C ATOM 1407 O ARG A 94 11.506 1.569 -1.004 1.00 0.37 O ATOM 1408 CB ARG A 94 10.105 3.726 -3.006 1.00 0.34 C ATOM 1409 CG ARG A 94 10.158 2.624 -4.048 1.00 0.43 C ATOM 1410 CD ARG A 94 10.758 3.085 -5.368 1.00 0.57 C ATOM 1411 NE ARG A 94 10.927 1.965 -6.303 1.00 1.04 N ATOM 1412 CZ ARG A 94 10.969 2.085 -7.639 1.00 1.41 C ATOM 1413 NH1 ARG A 94 10.842 3.278 -8.210 1.00 1.57 N ATOM 1414 NH2 ARG A 94 11.134 1.008 -8.407 1.00 2.10 N ATOM 0 H ARG A 94 9.175 5.135 -1.207 1.00 0.27 H new ATOM 0 HA ARG A 94 9.165 2.340 -1.661 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.324 4.437 -3.274 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.048 4.272 -3.012 1.00 0.34 H new ATOM 0 HG2 ARG A 94 10.744 1.791 -3.659 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.150 2.249 -4.224 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.114 3.841 -5.817 1.00 0.57 H new ATOM 0 HD3 ARG A 94 11.724 3.556 -5.185 1.00 0.57 H new ATOM 0 HE ARG A 94 11.019 1.029 -5.909 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.712 4.109 -7.632 1.00 1.57 H new ATOM 0 HH12 ARG A 94 10.875 3.363 -9.226 1.00 1.57 H new ATOM 0 HH21 ARG A 94 11.229 0.087 -7.980 1.00 2.10 H new ATOM 0 HH22 ARG A 94 11.165 1.105 -9.422 1.00 2.10 H new ATOM 1428 N LYS A 95 11.877 3.686 -0.384 1.00 0.33 N ATOM 1429 CA LYS A 95 13.145 3.389 0.230 1.00 0.40 C ATOM 1430 C LYS A 95 12.926 2.583 1.507 1.00 0.42 C ATOM 1431 O LYS A 95 13.762 1.768 1.893 1.00 0.46 O ATOM 1432 CB LYS A 95 13.873 4.706 0.504 1.00 0.46 C ATOM 1433 CG LYS A 95 15.249 4.564 1.113 1.00 0.64 C ATOM 1434 CD LYS A 95 15.178 4.483 2.632 1.00 0.56 C ATOM 1435 CE LYS A 95 16.293 3.626 3.211 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.646 4.136 2.860 1.00 0.96 N ATOM 0 H LYS A 95 11.598 4.665 -0.325 1.00 0.33 H new ATOM 0 HA LYS A 95 13.762 2.783 -0.433 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.963 5.255 -0.433 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.258 5.311 1.171 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.731 3.668 0.721 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.867 5.413 0.821 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.238 5.487 3.052 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.213 4.071 2.928 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.192 3.589 4.296 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.188 2.604 2.846 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.369 3.537 3.306 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.768 4.115 1.827 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.748 5.113 3.201 1.00 0.96 H new ATOM 1450 N ARG A 96 11.792 2.809 2.155 1.00 0.45 N ATOM 1451 CA ARG A 96 11.476 2.094 3.381 1.00 0.51 C ATOM 1452 C ARG A 96 11.029 0.663 3.105 1.00 0.57 C ATOM 1453 O ARG A 96 11.127 -0.193 3.981 1.00 0.72 O ATOM 1454 CB ARG A 96 10.421 2.819 4.218 1.00 0.55 C ATOM 1455 CG ARG A 96 10.871 4.167 4.752 1.00 0.59 C ATOM 1456 CD ARG A 96 12.344 4.188 5.134 1.00 0.72 C ATOM 1457 NE ARG A 96 12.717 3.111 6.053 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.900 3.045 6.672 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.817 3.977 6.460 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.153 2.057 7.521 1.00 3.57 N ATOM 0 H ARG A 96 11.081 3.476 1.855 1.00 0.45 H new ATOM 0 HA ARG A 96 12.401 2.061 3.957 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.526 2.961 3.612 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.139 2.183 5.058 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.685 4.932 3.998 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.270 4.426 5.624 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.948 4.111 4.230 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.580 5.148 5.594 1.00 0.72 H new ATOM 0 HE ARG A 96 12.038 2.371 6.230 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.622 4.749 5.822 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.718 3.923 6.934 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.444 1.346 7.702 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.056 2.008 7.992 1.00 3.57 H new ATOM 1474 N LEU A 97 10.514 0.402 1.911 1.00 0.52 N ATOM 1475 CA LEU A 97 10.082 -0.949 1.566 1.00 0.57 C ATOM 1476 C LEU A 97 11.151 -1.717 0.781 1.00 0.64 C ATOM 1477 O LEU A 97 10.990 -2.908 0.512 1.00 0.96 O ATOM 1478 CB LEU A 97 8.747 -0.913 0.806 1.00 0.70 C ATOM 1479 CG LEU A 97 8.684 0.008 -0.420 1.00 0.88 C ATOM 1480 CD1 LEU A 97 9.487 -0.556 -1.578 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.241 0.230 -0.838 1.00 1.65 C ATOM 0 H LEU A 97 10.386 1.095 1.174 1.00 0.52 H new ATOM 0 HA LEU A 97 9.931 -1.491 2.499 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.510 -1.927 0.484 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.966 -0.609 1.502 1.00 0.70 H new ATOM 0 HG LEU A 97 9.125 0.965 -0.142 1.00 0.88 H new ATOM 0 HD11 LEU A 97 9.421 0.121 -2.430 1.00 1.45 H new ATOM 0 HD12 LEU A 97 10.530 -0.663 -1.280 1.00 1.45 H new ATOM 0 HD13 LEU A 97 9.087 -1.531 -1.857 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.211 0.885 -1.709 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.783 -0.727 -1.088 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.691 0.692 -0.018 1.00 1.65 H new ATOM 1493 N THR A 98 12.219 -1.033 0.377 1.00 0.54 N ATOM 1494 CA THR A 98 13.340 -1.706 -0.275 1.00 0.65 C ATOM 1495 C THR A 98 14.661 -1.063 0.102 1.00 0.74 C ATOM 1496 O THR A 98 15.054 -0.037 -0.457 1.00 1.53 O ATOM 1497 CB THR A 98 13.203 -1.709 -1.814 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.934 -2.240 -2.178 1.00 1.15 O ATOM 1499 CG2 THR A 98 14.295 -2.545 -2.470 1.00 1.12 C ATOM 0 H THR A 98 12.332 -0.025 0.488 1.00 0.54 H new ATOM 0 HA THR A 98 13.322 -2.737 0.077 1.00 0.65 H new ATOM 0 HB THR A 98 13.300 -0.680 -2.160 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.710 -1.957 -3.089 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.168 -2.525 -3.552 1.00 1.12 H new ATOM 0 HG22 THR A 98 15.271 -2.135 -2.212 1.00 1.12 H new ATOM 0 HG23 THR A 98 14.228 -3.574 -2.116 1.00 1.12 H new ATOM 1507 N LYS A 99 15.328 -1.658 1.072 1.00 0.79 N ATOM 1508 CA LYS A 99 16.627 -1.163 1.505 1.00 1.12 C ATOM 1509 C LYS A 99 17.582 -2.283 1.861 1.00 1.36 C ATOM 1510 O LYS A 99 18.663 -2.045 2.401 1.00 2.28 O ATOM 1511 CB LYS A 99 16.430 -0.250 2.700 1.00 1.29 C ATOM 1512 CG LYS A 99 16.274 -0.986 4.022 1.00 1.18 C ATOM 1513 CD LYS A 99 15.585 -0.121 5.057 1.00 1.56 C ATOM 1514 CE LYS A 99 14.100 -0.011 4.760 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.397 -1.306 4.955 1.00 2.72 N ATOM 0 H LYS A 99 14.997 -2.481 1.575 1.00 0.79 H new ATOM 0 HA LYS A 99 17.075 -0.617 0.675 1.00 1.12 H new ATOM 0 HB2 LYS A 99 17.281 0.427 2.771 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.546 0.366 2.532 1.00 1.29 H new ATOM 0 HG2 LYS A 99 15.698 -1.899 3.867 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.255 -1.287 4.391 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.732 -0.546 6.050 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.034 0.872 5.066 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.655 0.744 5.408 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.959 0.327 3.733 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 13.148 -1.709 4.029 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 14.020 -1.966 5.463 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 12.531 -1.151 5.509 1.00 2.72 H new ATOM 1529 N ARG A 100 17.180 -3.498 1.542 1.00 1.04 N ATOM 1530 CA ARG A 100 17.965 -4.688 1.837 1.00 1.17 C ATOM 1531 C ARG A 100 18.117 -4.881 3.349 1.00 1.12 C ATOM 1532 O ARG A 100 19.052 -5.538 3.816 1.00 1.39 O ATOM 1533 CB ARG A 100 19.352 -4.637 1.179 1.00 1.55 C ATOM 1534 CG ARG A 100 19.324 -4.479 -0.333 1.00 2.10 C ATOM 1535 CD ARG A 100 20.714 -4.632 -0.940 1.00 2.50 C ATOM 1536 NE ARG A 100 21.731 -3.890 -0.193 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.361 -2.810 -0.649 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.085 -2.332 -1.859 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.278 -2.222 0.108 1.00 4.38 N ATOM 0 H ARG A 100 16.297 -3.692 1.069 1.00 1.04 H new ATOM 0 HA ARG A 100 17.423 -5.537 1.420 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.914 -3.808 1.608 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.892 -5.551 1.427 1.00 1.55 H new ATOM 0 HG2 ARG A 100 18.654 -5.223 -0.765 1.00 2.10 H new ATOM 0 HG3 ARG A 100 18.920 -3.500 -0.589 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.983 -5.688 -0.965 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.698 -4.283 -1.972 1.00 2.50 H new ATOM 0 HE ARG A 100 21.973 -4.223 0.740 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.387 -2.793 -2.443 1.00 3.60 H new ATOM 0 HH12 ARG A 100 22.571 -1.504 -2.203 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.495 -2.598 1.031 1.00 4.38 H new ATOM 0 HH22 ARG A 100 23.766 -1.394 -0.233 1.00 4.38 H new ATOM 1553 N SER A 101 17.183 -4.324 4.103 1.00 1.05 N ATOM 1554 CA SER A 101 17.215 -4.400 5.557 1.00 1.37 C ATOM 1555 C SER A 101 15.805 -4.287 6.128 1.00 1.22 C ATOM 1556 O SER A 101 15.346 -3.200 6.497 1.00 1.64 O ATOM 1557 CB SER A 101 18.120 -3.311 6.147 1.00 1.90 C ATOM 1558 OG SER A 101 19.465 -3.485 5.724 1.00 2.51 O ATOM 0 H SER A 101 16.386 -3.809 3.729 1.00 1.05 H new ATOM 0 HA SER A 101 17.628 -5.370 5.835 1.00 1.37 H new ATOM 0 HB2 SER A 101 17.762 -2.329 5.839 1.00 1.90 H new ATOM 0 HB3 SER A 101 18.070 -3.341 7.235 1.00 1.90 H new ATOM 0 HG SER A 101 20.024 -2.779 6.111 1.00 2.51 H new ATOM 1564 N GLU A 102 15.113 -5.414 6.166 1.00 1.06 N ATOM 1565 CA GLU A 102 13.763 -5.477 6.703 1.00 1.19 C ATOM 1566 C GLU A 102 13.388 -6.917 7.003 1.00 0.93 C ATOM 1567 O GLU A 102 12.834 -7.205 8.067 1.00 1.34 O ATOM 1568 CB GLU A 102 12.740 -4.840 5.747 1.00 1.63 C ATOM 1569 CG GLU A 102 12.946 -5.184 4.277 1.00 2.12 C ATOM 1570 CD GLU A 102 13.535 -4.027 3.491 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.795 -3.081 3.165 1.00 2.95 O ATOM 1572 OE2 GLU A 102 14.735 -4.068 3.181 1.00 3.40 O ATOM 0 H GLU A 102 15.469 -6.308 5.827 1.00 1.06 H new ATOM 0 HA GLU A 102 13.744 -4.903 7.630 1.00 1.19 H new ATOM 0 HB2 GLU A 102 11.740 -5.155 6.044 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.780 -3.757 5.862 1.00 1.63 H new ATOM 0 HG2 GLU A 102 13.606 -6.048 4.197 1.00 2.12 H new ATOM 0 HG3 GLU A 102 11.991 -5.471 3.836 1.00 2.12 H new ATOM 1579 N GLU A 103 13.708 -7.807 6.051 1.00 0.74 N ATOM 1580 CA GLU A 103 13.520 -9.266 6.181 1.00 0.68 C ATOM 1581 C GLU A 103 12.045 -9.635 6.115 1.00 0.54 C ATOM 1582 O GLU A 103 11.647 -10.597 5.467 1.00 0.61 O ATOM 1583 CB GLU A 103 14.142 -9.787 7.481 1.00 0.95 C ATOM 1584 CG GLU A 103 15.469 -9.126 7.819 1.00 1.37 C ATOM 1585 CD GLU A 103 16.482 -9.214 6.691 1.00 2.16 C ATOM 1586 OE1 GLU A 103 16.334 -8.474 5.687 1.00 2.68 O ATOM 1587 OE2 GLU A 103 17.422 -10.028 6.794 1.00 2.58 O ATOM 0 H GLU A 103 14.111 -7.532 5.155 1.00 0.74 H new ATOM 0 HA GLU A 103 14.030 -9.740 5.342 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.443 -9.623 8.301 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.291 -10.864 7.399 1.00 0.95 H new ATOM 0 HG2 GLU A 103 15.295 -8.078 8.062 1.00 1.37 H new ATOM 0 HG3 GLU A 103 15.885 -9.595 8.711 1.00 1.37 H new ATOM 1594 N VAL A 104 11.255 -8.840 6.780 1.00 0.40 N ATOM 1595 CA VAL A 104 9.826 -8.966 6.793 1.00 0.33 C ATOM 1596 C VAL A 104 9.248 -7.583 6.564 1.00 0.29 C ATOM 1597 O VAL A 104 9.705 -6.609 7.159 1.00 0.34 O ATOM 1598 CB VAL A 104 9.335 -9.561 8.127 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.946 -8.819 9.310 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.816 -9.557 8.190 1.00 0.37 C ATOM 0 H VAL A 104 11.599 -8.063 7.345 1.00 0.40 H new ATOM 0 HA VAL A 104 9.497 -9.648 6.009 1.00 0.33 H new ATOM 0 HB VAL A 104 9.666 -10.598 8.184 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.584 -9.257 10.240 1.00 0.44 H new ATOM 0 HG12 VAL A 104 11.032 -8.900 9.269 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.659 -7.768 9.268 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.490 -9.981 9.140 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.451 -8.533 8.105 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.416 -10.154 7.370 1.00 0.37 H new ATOM 1610 N VAL A 105 8.285 -7.472 5.685 1.00 0.28 N ATOM 1611 CA VAL A 105 7.821 -6.174 5.276 1.00 0.28 C ATOM 1612 C VAL A 105 6.437 -5.875 5.793 1.00 0.26 C ATOM 1613 O VAL A 105 5.468 -6.577 5.512 1.00 0.26 O ATOM 1614 CB VAL A 105 7.884 -6.002 3.760 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.178 -4.735 3.347 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.329 -5.966 3.326 1.00 0.46 C ATOM 0 H VAL A 105 7.811 -8.259 5.242 1.00 0.28 H new ATOM 0 HA VAL A 105 8.500 -5.449 5.724 1.00 0.28 H new ATOM 0 HB VAL A 105 7.383 -6.842 3.278 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.231 -4.625 2.264 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.134 -4.783 3.656 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.658 -3.880 3.822 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.381 -5.843 2.244 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.834 -5.130 3.811 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.817 -6.898 3.609 1.00 0.46 H new ATOM 1626 N ARG A 106 6.389 -4.824 6.573 1.00 0.29 N ATOM 1627 CA ARG A 106 5.188 -4.398 7.230 1.00 0.28 C ATOM 1628 C ARG A 106 4.539 -3.292 6.440 1.00 0.26 C ATOM 1629 O ARG A 106 5.159 -2.262 6.175 1.00 0.32 O ATOM 1630 CB ARG A 106 5.536 -3.935 8.630 1.00 0.35 C ATOM 1631 CG ARG A 106 6.298 -4.984 9.408 1.00 0.43 C ATOM 1632 CD ARG A 106 7.798 -4.976 9.092 1.00 0.54 C ATOM 1633 NE ARG A 106 8.603 -4.819 10.310 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.927 -4.987 10.382 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.621 -5.374 9.318 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.548 -4.793 11.536 1.00 1.46 N ATOM 0 H ARG A 106 7.198 -4.234 6.769 1.00 0.29 H new ATOM 0 HA ARG A 106 4.480 -5.224 7.295 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.132 -3.025 8.572 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.620 -3.683 9.165 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.154 -4.816 10.475 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.888 -5.968 9.182 1.00 0.43 H new ATOM 0 HD2 ARG A 106 8.071 -5.905 8.592 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.021 -4.164 8.400 1.00 0.54 H new ATOM 0 HE ARG A 106 8.114 -4.562 11.167 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.144 -5.547 8.433 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.631 -5.499 9.386 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.016 -4.517 12.361 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.558 -4.919 11.599 1.00 1.46 H new ATOM 1650 N LEU A 107 3.305 -3.512 6.066 1.00 0.24 N ATOM 1651 CA LEU A 107 2.606 -2.599 5.183 1.00 0.24 C ATOM 1652 C LEU A 107 1.220 -2.254 5.730 1.00 0.21 C ATOM 1653 O LEU A 107 0.358 -3.121 5.876 1.00 0.28 O ATOM 1654 CB LEU A 107 2.524 -3.226 3.782 1.00 0.37 C ATOM 1655 CG LEU A 107 1.603 -2.537 2.773 1.00 0.57 C ATOM 1656 CD1 LEU A 107 1.848 -1.038 2.752 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.826 -3.108 1.383 1.00 1.12 C ATOM 0 H LEU A 107 2.756 -4.320 6.359 1.00 0.24 H new ATOM 0 HA LEU A 107 3.157 -1.661 5.119 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.529 -3.253 3.362 1.00 0.37 H new ATOM 0 HB3 LEU A 107 2.197 -4.260 3.891 1.00 0.37 H new ATOM 0 HG LEU A 107 0.572 -2.719 3.078 1.00 0.57 H new ATOM 0 HD11 LEU A 107 1.182 -0.571 2.027 1.00 0.98 H new ATOM 0 HD12 LEU A 107 1.655 -0.624 3.742 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.883 -0.842 2.472 1.00 0.98 H new ATOM 0 HD21 LEU A 107 1.165 -2.609 0.674 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.863 -2.948 1.086 1.00 1.12 H new ATOM 0 HD23 LEU A 107 1.611 -4.177 1.390 1.00 1.12 H new ATOM 1669 N LEU A 108 1.018 -0.982 6.040 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.253 -0.506 6.522 1.00 0.15 C ATOM 1671 C LEU A 108 -0.925 0.230 5.388 1.00 0.15 C ATOM 1672 O LEU A 108 -0.392 1.211 4.889 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.027 0.419 7.712 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.265 1.104 8.278 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.308 0.062 8.651 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.874 1.942 9.491 1.00 0.26 C ATOM 0 H LEU A 108 1.733 -0.259 5.962 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.885 -1.331 6.851 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.440 -0.158 8.510 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.685 1.189 7.416 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.696 1.763 7.525 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.190 0.559 9.055 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.586 -0.508 7.764 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.896 -0.613 9.401 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.760 2.432 9.896 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.436 1.297 10.253 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.146 2.697 9.193 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.064 -0.251 4.953 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.691 0.305 3.781 1.00 0.21 C ATOM 1690 C VAL A 109 -4.151 0.595 4.040 1.00 0.22 C ATOM 1691 O VAL A 109 -4.786 -0.028 4.885 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.540 -0.652 2.576 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.839 -1.368 2.238 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.995 0.085 1.372 1.00 0.77 C ATOM 0 H VAL A 109 -2.572 -1.020 5.389 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.190 1.244 3.544 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.824 -1.421 2.865 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.680 -2.028 1.385 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.164 -1.956 3.096 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.605 -0.634 1.990 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.897 -0.607 0.536 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.677 0.890 1.099 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.018 0.504 1.613 1.00 0.77 H new ATOM 1704 N THR A 110 -4.670 1.557 3.333 1.00 0.22 N ATOM 1705 CA THR A 110 -6.092 1.794 3.365 1.00 0.25 C ATOM 1706 C THR A 110 -6.766 1.131 2.170 1.00 0.26 C ATOM 1707 O THR A 110 -6.505 1.476 1.014 1.00 0.30 O ATOM 1708 CB THR A 110 -6.424 3.282 3.356 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.314 4.050 3.812 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.610 3.553 4.246 1.00 0.33 C ATOM 0 H THR A 110 -4.140 2.187 2.731 1.00 0.22 H new ATOM 0 HA THR A 110 -6.465 1.363 4.294 1.00 0.25 H new ATOM 0 HB THR A 110 -6.659 3.570 2.331 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.581 3.981 3.165 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.839 4.619 4.233 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.472 2.992 3.885 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.378 3.245 5.265 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.633 0.184 2.483 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.340 -0.611 1.505 1.00 0.37 C ATOM 1720 C ARG A 111 -9.737 -0.045 1.270 1.00 0.42 C ATOM 1721 O ARG A 111 -10.442 0.324 2.209 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.407 -2.047 2.017 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.534 -2.872 1.443 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.544 -4.260 2.053 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.784 -4.974 1.760 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.927 -6.296 1.847 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.889 -7.071 2.141 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.108 -6.843 1.613 1.00 2.01 N ATOM 0 H ARG A 111 -7.867 -0.056 3.446 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.816 -0.589 0.549 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.462 -2.542 1.793 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.507 -2.027 3.102 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.487 -2.378 1.634 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.424 -2.945 0.361 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.697 -4.831 1.671 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.416 -4.183 3.133 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.593 -4.425 1.470 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.972 -6.655 2.303 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -10.009 -8.082 2.205 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.903 -6.254 1.367 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.224 -7.854 1.678 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.133 0.022 0.016 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.387 0.654 -0.352 1.00 0.71 C ATOM 1744 C GLN A 112 -12.311 -0.276 -1.114 1.00 0.89 C ATOM 1745 O GLN A 112 -13.317 -0.721 -0.573 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.146 1.977 -1.104 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.243 1.917 -2.327 1.00 0.71 C ATOM 1748 CD GLN A 112 -8.914 1.231 -2.084 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -8.781 0.035 -2.330 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -7.959 1.948 -1.515 1.00 0.66 N ATOM 0 H GLN A 112 -9.603 -0.355 -0.770 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.905 0.893 0.577 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.113 2.372 -1.415 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.720 2.694 -0.402 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.768 1.395 -3.127 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.057 2.932 -2.677 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.109 2.939 -1.327 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.073 1.510 -1.264 1.00 0.66 H new ATOM 1759 N SER A 113 -11.971 -0.596 -2.340 1.00 0.79 N ATOM 1760 CA SER A 113 -12.899 -1.315 -3.192 1.00 0.96 C ATOM 1761 C SER A 113 -12.188 -2.149 -4.253 1.00 0.89 C ATOM 1762 O SER A 113 -12.746 -2.433 -5.308 1.00 1.18 O ATOM 1763 CB SER A 113 -13.851 -0.306 -3.827 1.00 1.25 C ATOM 1764 OG SER A 113 -15.064 -0.224 -3.097 1.00 1.62 O ATOM 0 H SER A 113 -11.072 -0.375 -2.769 1.00 0.79 H new ATOM 0 HA SER A 113 -13.459 -2.024 -2.583 1.00 0.96 H new ATOM 0 HB2 SER A 113 -13.377 0.675 -3.863 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.061 -0.596 -4.857 1.00 1.25 H new ATOM 0 HG SER A 113 -14.879 -0.335 -2.141 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.972 -2.576 -3.952 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.221 -3.433 -4.859 1.00 0.94 C ATOM 1772 C LEU A 114 -10.169 -4.854 -4.314 1.00 1.13 C ATOM 1773 O LEU A 114 -9.276 -5.630 -4.634 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.806 -2.883 -5.086 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.728 -1.673 -6.019 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.650 -1.892 -7.194 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.082 -0.383 -5.297 1.00 1.23 C ATOM 0 H LEU A 114 -10.483 -2.344 -3.087 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.730 -3.449 -5.823 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.380 -2.608 -4.121 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.183 -3.679 -5.494 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.701 -1.573 -6.371 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.598 -1.032 -7.862 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.346 -2.789 -7.733 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.673 -2.013 -6.837 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.015 0.453 -5.993 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.098 -0.451 -4.908 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.387 -0.225 -4.472 1.00 1.23 H new