USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0.781 USER MOD Set 1.2: A 115 THR OG1 : rot -104:sc= 0.556 USER MOD Set 2.1: A 49 ASN : amide:sc= -3.66 K(o=-14,f=-11) USER MOD Set 2.2: A 53 GLN : amide:sc= -4.8! C(o=-14!,f=-11!) USER MOD Set 2.3: A 65 MET CE :methyl -170:sc= -5.92! (180deg=-4.29!) USER MOD Set 3.1: A 44 TYR OH : rot -140:sc= 0.176 USER MOD Set 3.2: A 114 CYS SG : rot 110:sc= -1.16 USER MOD Set 4.1: A 37 THR OG1 : rot 180:sc= -2.14! USER MOD Set 4.2: A 40 GLN : amide:sc= -3.14! C(o=-5.3!,f=-6.2!) USER MOD Single : A 15 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -74:sc= -1.78! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.73) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -108:sc= 0.801 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= -0.705 (180deg=-0.779) USER MOD Single : A 75 GLN : amide:sc= -0.827 K(o=-0.83,f=-1.7) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -120:sc= -2.26 (180deg=-6.85!) USER MOD Single : A 94 HIS : no HE2:sc= -5.23 K(o=-5.2,f=-7.7!) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.2) USER MOD Single : A 105 THR OG1 : rot 80:sc= -0.613 USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.421) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -134:sc= -6.35! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 2.534 14.310 4.115 1.00 0.00 N ATOM 152 CA ASP A 12 2.488 13.000 4.752 1.00 0.00 C ATOM 153 C ASP A 12 1.482 12.091 4.052 1.00 0.00 C ATOM 154 O ASP A 12 1.665 10.875 3.993 1.00 0.00 O ATOM 155 CB ASP A 12 2.126 13.142 6.233 1.00 0.00 C ATOM 156 CG ASP A 12 3.169 12.527 7.145 1.00 0.00 C ATOM 157 OD1 ASP A 12 3.095 11.305 7.392 1.00 0.00 O ATOM 158 OD2 ASP A 12 4.061 13.266 7.611 1.00 0.00 O ATOM 0 HA ASP A 12 3.476 12.547 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.012 14.198 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.162 12.667 6.416 1.00 0.00 H new ATOM 163 N ASP A 13 0.420 12.688 3.522 1.00 0.00 N ATOM 164 CA ASP A 13 -0.615 11.933 2.826 1.00 0.00 C ATOM 165 C ASP A 13 -0.072 11.336 1.529 1.00 0.00 C ATOM 166 O ASP A 13 -0.199 10.137 1.284 1.00 0.00 O ATOM 167 CB ASP A 13 -1.817 12.834 2.529 1.00 0.00 C ATOM 168 CG ASP A 13 -3.032 12.469 3.360 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.069 12.837 4.552 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.947 11.814 2.817 1.00 0.00 O ATOM 0 H ASP A 13 0.253 13.694 3.561 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.935 11.116 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.546 13.872 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.069 12.762 1.471 1.00 0.00 H new ATOM 175 N PHE A 14 0.537 12.183 0.706 1.00 0.00 N ATOM 176 CA PHE A 14 1.104 11.741 -0.563 1.00 0.00 C ATOM 177 C PHE A 14 2.339 10.876 -0.336 1.00 0.00 C ATOM 178 O PHE A 14 2.668 10.020 -1.158 1.00 0.00 O ATOM 179 CB PHE A 14 1.463 12.947 -1.434 1.00 0.00 C ATOM 180 CG PHE A 14 0.296 13.850 -1.715 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.526 13.623 -2.807 1.00 0.00 C ATOM 182 CD2 PHE A 14 0.022 14.926 -0.886 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.601 14.451 -3.066 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.053 15.758 -1.141 1.00 0.00 C ATOM 185 CZ PHE A 14 -1.864 15.520 -2.232 1.00 0.00 C ATOM 0 H PHE A 14 0.651 13.179 0.895 1.00 0.00 H new ATOM 0 HA PHE A 14 0.353 11.141 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.247 13.522 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.875 12.593 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.324 12.789 -3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.655 15.117 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.235 14.263 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.258 16.593 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.703 16.169 -2.433 1.00 0.00 H new ATOM 195 N GLN A 15 3.014 11.094 0.789 1.00 0.00 N ATOM 196 CA GLN A 15 4.201 10.322 1.124 1.00 0.00 C ATOM 197 C GLN A 15 3.800 8.917 1.540 1.00 0.00 C ATOM 198 O GLN A 15 4.505 7.945 1.266 1.00 0.00 O ATOM 199 CB GLN A 15 4.982 11.002 2.251 1.00 0.00 C ATOM 200 CG GLN A 15 6.337 10.368 2.520 1.00 0.00 C ATOM 201 CD GLN A 15 7.228 10.354 1.293 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.895 11.340 0.985 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.240 9.230 0.585 1.00 0.00 N ATOM 0 H GLN A 15 2.758 11.798 1.481 1.00 0.00 H new ATOM 0 HA GLN A 15 4.843 10.266 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.125 12.053 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.388 10.971 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.836 10.913 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.193 9.346 2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.670 8.436 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.819 9.161 -0.252 1.00 0.00 H new ATOM 212 N PHE A 16 2.647 8.818 2.193 1.00 0.00 N ATOM 213 CA PHE A 16 2.133 7.535 2.637 1.00 0.00 C ATOM 214 C PHE A 16 1.881 6.628 1.439 1.00 0.00 C ATOM 215 O PHE A 16 2.101 5.418 1.503 1.00 0.00 O ATOM 216 CB PHE A 16 0.842 7.725 3.437 1.00 0.00 C ATOM 217 CG PHE A 16 0.210 6.435 3.877 1.00 0.00 C ATOM 218 CD1 PHE A 16 0.832 5.626 4.814 1.00 0.00 C ATOM 219 CD2 PHE A 16 -1.007 6.031 3.353 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.253 4.439 5.220 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.592 4.845 3.754 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.960 4.048 4.689 1.00 0.00 C ATOM 0 H PHE A 16 2.053 9.614 2.425 1.00 0.00 H new ATOM 0 HA PHE A 16 2.876 7.067 3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.056 8.333 4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.127 8.281 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.781 5.927 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.505 6.651 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.749 3.818 5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.541 4.542 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.414 3.120 5.004 1.00 0.00 H new ATOM 232 N LEU A 17 1.421 7.228 0.345 1.00 0.00 N ATOM 233 CA LEU A 17 1.142 6.480 -0.875 1.00 0.00 C ATOM 234 C LEU A 17 2.433 5.965 -1.495 1.00 0.00 C ATOM 235 O LEU A 17 2.465 4.882 -2.077 1.00 0.00 O ATOM 236 CB LEU A 17 0.386 7.352 -1.875 1.00 0.00 C ATOM 237 CG LEU A 17 -1.136 7.264 -1.768 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.708 8.542 -1.171 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.756 6.983 -3.130 1.00 0.00 C ATOM 0 H LEU A 17 1.234 8.229 0.279 1.00 0.00 H new ATOM 0 HA LEU A 17 0.518 5.625 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.688 8.390 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.684 7.067 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.383 6.436 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.793 8.458 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.293 8.696 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.448 9.389 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.840 6.924 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.498 7.786 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.375 6.037 -3.515 1.00 0.00 H new ATOM 251 N SER A 18 3.505 6.735 -1.354 1.00 0.00 N ATOM 252 CA SER A 18 4.793 6.324 -1.890 1.00 0.00 C ATOM 253 C SER A 18 5.166 4.964 -1.315 1.00 0.00 C ATOM 254 O SER A 18 5.754 4.122 -1.996 1.00 0.00 O ATOM 255 CB SER A 18 5.871 7.358 -1.552 1.00 0.00 C ATOM 256 OG SER A 18 6.707 7.606 -2.669 1.00 0.00 O ATOM 0 H SER A 18 3.508 7.637 -0.878 1.00 0.00 H new ATOM 0 HA SER A 18 4.722 6.251 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.400 8.288 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.472 7.001 -0.716 1.00 0.00 H new ATOM 0 HG SER A 18 7.386 8.271 -2.428 1.00 0.00 H new ATOM 262 N ASP A 19 4.802 4.758 -0.052 1.00 0.00 N ATOM 263 CA ASP A 19 5.073 3.504 0.636 1.00 0.00 C ATOM 264 C ASP A 19 4.088 2.417 0.212 1.00 0.00 C ATOM 265 O ASP A 19 4.491 1.293 -0.088 1.00 0.00 O ATOM 266 CB ASP A 19 5.009 3.703 2.151 1.00 0.00 C ATOM 267 CG ASP A 19 6.341 4.135 2.734 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.156 3.251 3.071 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.568 5.357 2.854 1.00 0.00 O ATOM 0 H ASP A 19 4.315 5.450 0.517 1.00 0.00 H new ATOM 0 HA ASP A 19 6.077 3.182 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.253 4.453 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.693 2.773 2.624 1.00 0.00 H new ATOM 274 N VAL A 20 2.794 2.746 0.188 1.00 0.00 N ATOM 275 CA VAL A 20 1.782 1.771 -0.201 1.00 0.00 C ATOM 276 C VAL A 20 1.977 1.350 -1.650 1.00 0.00 C ATOM 277 O VAL A 20 1.735 0.201 -2.013 1.00 0.00 O ATOM 278 CB VAL A 20 0.349 2.303 0.012 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.227 2.931 1.389 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.045 3.297 -1.072 1.00 0.00 C ATOM 0 H VAL A 20 2.430 3.667 0.430 1.00 0.00 H new ATOM 0 HA VAL A 20 1.907 0.902 0.445 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.339 1.460 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.788 3.304 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.448 2.183 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.932 3.757 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.060 3.651 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.642 4.143 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.000 2.810 -2.046 1.00 0.00 H new ATOM 290 N LEU A 21 2.444 2.284 -2.468 1.00 0.00 N ATOM 291 CA LEU A 21 2.707 2.000 -3.871 1.00 0.00 C ATOM 292 C LEU A 21 4.045 1.279 -4.011 1.00 0.00 C ATOM 293 O LEU A 21 4.355 0.718 -5.061 1.00 0.00 O ATOM 294 CB LEU A 21 2.717 3.295 -4.686 1.00 0.00 C ATOM 295 CG LEU A 21 1.339 3.893 -4.971 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.469 5.329 -5.455 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.593 3.047 -5.995 1.00 0.00 C ATOM 0 H LEU A 21 2.648 3.242 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 21 1.914 1.358 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.314 4.036 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.217 3.104 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 21 0.766 3.896 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.478 5.737 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.962 5.928 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.060 5.352 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.386 3.487 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.163 3.013 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.467 2.035 -5.609 1.00 0.00 H new ATOM 309 N ASP A 22 4.832 1.299 -2.934 1.00 0.00 N ATOM 310 CA ASP A 22 6.136 0.650 -2.916 1.00 0.00 C ATOM 311 C ASP A 22 6.034 -0.770 -2.365 1.00 0.00 C ATOM 312 O ASP A 22 6.876 -1.617 -2.659 1.00 0.00 O ATOM 313 CB ASP A 22 7.121 1.466 -2.076 1.00 0.00 C ATOM 314 CG ASP A 22 8.040 2.317 -2.928 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.706 1.759 -3.825 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.095 3.544 -2.699 1.00 0.00 O ATOM 0 H ASP A 22 4.583 1.762 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 22 6.500 0.594 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.566 2.108 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.719 0.791 -1.464 1.00 0.00 H new ATOM 321 N CYS A 23 4.999 -1.028 -1.561 1.00 0.00 N ATOM 322 CA CYS A 23 4.800 -2.351 -0.973 1.00 0.00 C ATOM 323 C CYS A 23 4.943 -3.449 -2.027 1.00 0.00 C ATOM 324 O CYS A 23 5.032 -3.167 -3.223 1.00 0.00 O ATOM 325 CB CYS A 23 3.424 -2.436 -0.299 1.00 0.00 C ATOM 326 SG CYS A 23 2.035 -2.603 -1.446 1.00 0.00 S ATOM 0 H CYS A 23 4.290 -0.341 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 23 5.571 -2.503 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.420 -3.286 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.274 -1.542 0.306 1.00 0.00 H new ATOM 0 HG CYS A 23 1.818 -1.464 -2.033 1.00 0.00 H new ATOM 332 N ARG A 24 4.967 -4.700 -1.579 1.00 0.00 N ATOM 333 CA ARG A 24 5.105 -5.833 -2.488 1.00 0.00 C ATOM 334 C ARG A 24 3.794 -6.601 -2.616 1.00 0.00 C ATOM 335 O ARG A 24 3.522 -7.210 -3.652 1.00 0.00 O ATOM 336 CB ARG A 24 6.214 -6.770 -2.001 1.00 0.00 C ATOM 337 CG ARG A 24 7.524 -6.604 -2.755 1.00 0.00 C ATOM 338 CD ARG A 24 8.056 -5.185 -2.639 1.00 0.00 C ATOM 339 NE ARG A 24 8.790 -4.775 -3.834 1.00 0.00 N ATOM 340 CZ ARG A 24 9.649 -3.760 -3.864 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.885 -3.047 -2.769 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.277 -3.455 -4.993 1.00 0.00 N ATOM 0 H ARG A 24 4.893 -4.955 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 24 5.369 -5.444 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.390 -6.591 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.876 -7.802 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.262 -7.304 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.375 -6.853 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.226 -4.499 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.710 -5.113 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 24 8.635 -5.298 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.406 -3.276 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.545 -2.270 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.101 -3.999 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.936 -2.677 -5.016 1.00 0.00 H new ATOM 356 N ALA A 25 2.986 -6.576 -1.562 1.00 0.00 N ATOM 357 CA ALA A 25 1.709 -7.278 -1.566 1.00 0.00 C ATOM 358 C ALA A 25 0.577 -6.384 -1.071 1.00 0.00 C ATOM 359 O ALA A 25 0.762 -5.571 -0.166 1.00 0.00 O ATOM 360 CB ALA A 25 1.799 -8.536 -0.717 1.00 0.00 C ATOM 0 H ALA A 25 3.192 -6.078 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 25 1.484 -7.558 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.839 -9.052 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.569 -9.194 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.054 -8.266 0.308 1.00 0.00 H new ATOM 366 N VAL A 26 -0.598 -6.552 -1.669 1.00 0.00 N ATOM 367 CA VAL A 26 -1.772 -5.774 -1.292 1.00 0.00 C ATOM 368 C VAL A 26 -2.981 -6.684 -1.116 1.00 0.00 C ATOM 369 O VAL A 26 -3.469 -7.275 -2.079 1.00 0.00 O ATOM 370 CB VAL A 26 -2.102 -4.700 -2.346 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.208 -3.783 -1.845 1.00 0.00 C ATOM 372 CG2 VAL A 26 -0.856 -3.904 -2.706 1.00 0.00 C ATOM 0 H VAL A 26 -0.762 -7.223 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.541 -5.279 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.457 -5.198 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.428 -3.031 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.105 -4.370 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.885 -3.291 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.109 -3.150 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.466 -3.415 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.099 -4.576 -3.111 1.00 0.00 H new ATOM 382 N ARG A 27 -3.455 -6.804 0.119 1.00 0.00 N ATOM 383 CA ARG A 27 -4.600 -7.656 0.410 1.00 0.00 C ATOM 384 C ARG A 27 -5.284 -7.244 1.710 1.00 0.00 C ATOM 385 O ARG A 27 -4.622 -6.953 2.706 1.00 0.00 O ATOM 386 CB ARG A 27 -4.150 -9.113 0.499 1.00 0.00 C ATOM 387 CG ARG A 27 -4.343 -9.891 -0.792 1.00 0.00 C ATOM 388 CD ARG A 27 -5.795 -9.880 -1.242 1.00 0.00 C ATOM 389 NE ARG A 27 -5.940 -9.380 -2.607 1.00 0.00 N ATOM 390 CZ ARG A 27 -5.446 -9.995 -3.679 1.00 0.00 C ATOM 391 NH1 ARG A 27 -4.779 -11.135 -3.550 1.00 0.00 N ATOM 392 NH2 ARG A 27 -5.621 -9.469 -4.884 1.00 0.00 N ATOM 0 H ARG A 27 -3.066 -6.324 0.931 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.321 -7.543 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.096 -9.142 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.704 -9.607 1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.716 -9.461 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.014 -10.920 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.202 -10.889 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.380 -9.259 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.450 -8.508 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.643 -11.544 -2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.403 -11.602 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.134 -8.594 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.243 -9.940 -5.706 1.00 0.00 H new ATOM 406 N SER A 28 -6.612 -7.227 1.694 1.00 0.00 N ATOM 407 CA SER A 28 -7.389 -6.855 2.871 1.00 0.00 C ATOM 408 C SER A 28 -7.281 -7.922 3.956 1.00 0.00 C ATOM 409 O SER A 28 -7.238 -9.116 3.664 1.00 0.00 O ATOM 410 CB SER A 28 -8.855 -6.641 2.493 1.00 0.00 C ATOM 411 OG SER A 28 -9.547 -7.876 2.413 1.00 0.00 O ATOM 0 H SER A 28 -7.174 -7.467 0.877 1.00 0.00 H new ATOM 0 HA SER A 28 -6.982 -5.923 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.334 -5.999 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.915 -6.124 1.535 1.00 0.00 H new ATOM 0 HG SER A 28 -10.482 -7.712 2.172 1.00 0.00 H new ATOM 417 N ALA A 29 -7.238 -7.482 5.211 1.00 0.00 N ATOM 418 CA ALA A 29 -7.135 -8.398 6.341 1.00 0.00 C ATOM 419 C ALA A 29 -8.296 -9.387 6.358 1.00 0.00 C ATOM 420 O ALA A 29 -8.107 -10.576 6.613 1.00 0.00 O ATOM 421 CB ALA A 29 -7.084 -7.621 7.648 1.00 0.00 C ATOM 0 H ALA A 29 -7.273 -6.496 5.470 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.211 -8.966 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.007 -8.318 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.217 -6.961 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.992 -7.027 7.754 1.00 0.00 H new ATOM 427 N MET A 30 -9.499 -8.889 6.084 1.00 0.00 N ATOM 428 CA MET A 30 -10.692 -9.731 6.066 1.00 0.00 C ATOM 429 C MET A 30 -10.486 -10.953 5.175 1.00 0.00 C ATOM 430 O MET A 30 -11.071 -12.011 5.406 1.00 0.00 O ATOM 431 CB MET A 30 -11.900 -8.929 5.579 1.00 0.00 C ATOM 432 CG MET A 30 -12.301 -7.804 6.519 1.00 0.00 C ATOM 433 SD MET A 30 -13.586 -8.298 7.685 1.00 0.00 S ATOM 434 CE MET A 30 -14.261 -6.702 8.139 1.00 0.00 C ATOM 0 H MET A 30 -9.674 -7.907 5.871 1.00 0.00 H new ATOM 0 HA MET A 30 -10.877 -10.074 7.084 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.676 -8.510 4.598 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.746 -9.604 5.451 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.424 -7.468 7.072 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.654 -6.955 5.934 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.069 -6.840 8.857 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.478 -6.090 8.586 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.647 -6.204 7.250 1.00 0.00 H new ATOM 444 N ASN A 31 -9.648 -10.796 4.156 1.00 0.00 N ATOM 445 CA ASN A 31 -9.356 -11.883 3.228 1.00 0.00 C ATOM 446 C ASN A 31 -7.969 -11.707 2.619 1.00 0.00 C ATOM 447 O ASN A 31 -7.829 -11.469 1.420 1.00 0.00 O ATOM 448 CB ASN A 31 -10.413 -11.936 2.123 1.00 0.00 C ATOM 449 CG ASN A 31 -11.743 -12.468 2.620 1.00 0.00 C ATOM 450 OD1 ASN A 31 -12.641 -11.701 2.964 1.00 0.00 O ATOM 451 ND2 ASN A 31 -11.873 -13.788 2.660 1.00 0.00 N ATOM 0 H ASN A 31 -9.158 -9.925 3.951 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.377 -12.823 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.555 -10.937 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.053 -12.567 1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.745 -14.205 2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.101 -14.386 2.365 1.00 0.00 H new ATOM 458 N LEU A 32 -6.944 -11.820 3.456 1.00 0.00 N ATOM 459 CA LEU A 32 -5.568 -11.667 3.002 1.00 0.00 C ATOM 460 C LEU A 32 -5.182 -12.762 2.006 1.00 0.00 C ATOM 461 O LEU A 32 -4.200 -12.627 1.277 1.00 0.00 O ATOM 462 CB LEU A 32 -4.607 -11.680 4.196 1.00 0.00 C ATOM 463 CG LEU A 32 -3.723 -10.437 4.330 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.751 -10.593 5.491 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.968 -10.173 3.034 1.00 0.00 C ATOM 0 H LEU A 32 -7.040 -12.017 4.452 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.493 -10.706 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.189 -11.793 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.965 -12.557 4.116 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.366 -9.581 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.132 -9.699 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.309 -10.730 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.115 -11.461 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.346 -9.286 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.337 -11.030 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.680 -10.014 2.224 1.00 0.00 H new ATOM 477 N ARG A 33 -5.952 -13.846 1.985 1.00 0.00 N ATOM 478 CA ARG A 33 -5.674 -14.958 1.082 1.00 0.00 C ATOM 479 C ARG A 33 -6.571 -14.924 -0.156 1.00 0.00 C ATOM 480 O ARG A 33 -6.637 -15.899 -0.905 1.00 0.00 O ATOM 481 CB ARG A 33 -5.853 -16.290 1.813 1.00 0.00 C ATOM 482 CG ARG A 33 -7.282 -16.548 2.265 1.00 0.00 C ATOM 483 CD ARG A 33 -7.697 -17.989 2.013 1.00 0.00 C ATOM 484 NE ARG A 33 -7.407 -18.852 3.156 1.00 0.00 N ATOM 485 CZ ARG A 33 -7.333 -20.178 3.084 1.00 0.00 C ATOM 486 NH1 ARG A 33 -7.527 -20.799 1.927 1.00 0.00 N ATOM 487 NH2 ARG A 33 -7.065 -20.887 4.172 1.00 0.00 N ATOM 0 H ARG A 33 -6.770 -13.978 2.580 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.641 -14.858 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.536 -17.101 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.196 -16.309 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.375 -16.323 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.958 -15.876 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.764 -18.025 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.177 -18.367 1.133 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.252 -18.411 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.734 -20.259 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.469 -21.816 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.916 -20.415 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.008 -21.904 4.117 1.00 0.00 H new ATOM 501 N ALA A 34 -7.260 -13.805 -0.373 1.00 0.00 N ATOM 502 CA ALA A 34 -8.143 -13.675 -1.527 1.00 0.00 C ATOM 503 C ALA A 34 -8.503 -12.217 -1.797 1.00 0.00 C ATOM 504 O ALA A 34 -8.712 -11.436 -0.871 1.00 0.00 O ATOM 505 CB ALA A 34 -9.405 -14.498 -1.319 1.00 0.00 C ATOM 0 H ALA A 34 -7.224 -12.983 0.230 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.608 -14.053 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.055 -14.392 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.138 -15.547 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.927 -14.145 -0.430 1.00 0.00 H new ATOM 511 N ALA A 35 -8.579 -11.862 -3.076 1.00 0.00 N ATOM 512 CA ALA A 35 -8.920 -10.502 -3.476 1.00 0.00 C ATOM 513 C ALA A 35 -10.427 -10.277 -3.406 1.00 0.00 C ATOM 514 O ALA A 35 -11.184 -11.196 -3.091 1.00 0.00 O ATOM 515 CB ALA A 35 -8.405 -10.220 -4.879 1.00 0.00 C ATOM 0 H ALA A 35 -8.409 -12.499 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.441 -9.811 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.667 -9.201 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.321 -10.335 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.857 -10.921 -5.580 1.00 0.00 H new ATOM 521 N LEU A 36 -10.859 -9.054 -3.698 1.00 0.00 N ATOM 522 CA LEU A 36 -12.280 -8.723 -3.661 1.00 0.00 C ATOM 523 C LEU A 36 -12.932 -8.948 -5.020 1.00 0.00 C ATOM 524 O LEU A 36 -13.767 -9.838 -5.179 1.00 0.00 O ATOM 525 CB LEU A 36 -12.467 -7.268 -3.226 1.00 0.00 C ATOM 526 CG LEU A 36 -11.912 -6.930 -1.842 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.465 -6.475 -1.945 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.763 -5.862 -1.173 1.00 0.00 C ATOM 0 H LEU A 36 -10.250 -8.280 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.763 -9.381 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.988 -6.621 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.532 -7.034 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.946 -7.830 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.086 -6.239 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.863 -7.272 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.407 -5.588 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.353 -5.634 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.762 -4.960 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.785 -6.226 -1.065 1.00 0.00 H new ATOM 540 N THR A 37 -12.539 -8.142 -5.997 1.00 0.00 N ATOM 541 CA THR A 37 -13.079 -8.255 -7.350 1.00 0.00 C ATOM 542 C THR A 37 -12.314 -7.352 -8.313 1.00 0.00 C ATOM 543 O THR A 37 -11.545 -6.488 -7.891 1.00 0.00 O ATOM 544 CB THR A 37 -14.570 -7.899 -7.375 1.00 0.00 C ATOM 545 OG1 THR A 37 -15.095 -7.796 -6.062 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.411 -8.907 -8.129 1.00 0.00 C ATOM 0 H THR A 37 -11.848 -7.401 -5.880 1.00 0.00 H new ATOM 0 HA THR A 37 -12.962 -9.290 -7.670 1.00 0.00 H new ATOM 0 HB THR A 37 -14.624 -6.940 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.047 -7.567 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.456 -8.597 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.069 -8.965 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.314 -9.886 -7.659 1.00 0.00 H new ATOM 554 N SER A 38 -12.532 -7.557 -9.609 1.00 0.00 N ATOM 555 CA SER A 38 -11.865 -6.759 -10.631 1.00 0.00 C ATOM 556 C SER A 38 -12.152 -5.274 -10.431 1.00 0.00 C ATOM 557 O SER A 38 -11.235 -4.457 -10.357 1.00 0.00 O ATOM 558 CB SER A 38 -12.320 -7.194 -12.025 1.00 0.00 C ATOM 559 OG SER A 38 -11.959 -8.540 -12.282 1.00 0.00 O ATOM 0 H SER A 38 -13.165 -8.268 -9.975 1.00 0.00 H new ATOM 0 HA SER A 38 -10.791 -6.920 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.401 -7.081 -12.110 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.872 -6.544 -12.777 1.00 0.00 H new ATOM 0 HG SER A 38 -12.262 -8.795 -13.178 1.00 0.00 H new ATOM 565 N PHE A 39 -13.434 -4.935 -10.340 1.00 0.00 N ATOM 566 CA PHE A 39 -13.846 -3.552 -10.142 1.00 0.00 C ATOM 567 C PHE A 39 -13.594 -3.113 -8.703 1.00 0.00 C ATOM 568 O PHE A 39 -13.264 -1.956 -8.445 1.00 0.00 O ATOM 569 CB PHE A 39 -15.326 -3.380 -10.493 1.00 0.00 C ATOM 570 CG PHE A 39 -16.251 -4.157 -9.600 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.556 -5.480 -9.881 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.818 -3.565 -8.483 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.408 -6.197 -9.063 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.671 -4.277 -7.662 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.966 -5.595 -7.952 1.00 0.00 C ATOM 0 H PHE A 39 -14.205 -5.600 -10.400 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.252 -2.923 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.584 -2.322 -10.436 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.484 -3.692 -11.525 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.123 -5.955 -10.749 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.590 -2.535 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.637 -7.227 -9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.107 -3.804 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.632 -6.154 -7.311 1.00 0.00 H new ATOM 585 N GLN A 40 -13.753 -4.047 -7.769 1.00 0.00 N ATOM 586 CA GLN A 40 -13.545 -3.759 -6.354 1.00 0.00 C ATOM 587 C GLN A 40 -12.154 -3.180 -6.112 1.00 0.00 C ATOM 588 O GLN A 40 -12.011 -2.118 -5.505 1.00 0.00 O ATOM 589 CB GLN A 40 -13.742 -5.024 -5.518 1.00 0.00 C ATOM 590 CG GLN A 40 -14.662 -4.829 -4.322 1.00 0.00 C ATOM 591 CD GLN A 40 -15.989 -4.197 -4.700 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.928 -4.887 -5.097 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.072 -2.877 -4.578 1.00 0.00 N ATOM 0 H GLN A 40 -14.025 -5.010 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.282 -3.016 -6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.149 -5.810 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.771 -5.371 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.845 -5.794 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.163 -4.202 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.269 -2.344 -4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.939 -2.396 -4.817 1.00 0.00 H new ATOM 602 N VAL A 41 -11.132 -3.880 -6.594 1.00 0.00 N ATOM 603 CA VAL A 41 -9.756 -3.426 -6.431 1.00 0.00 C ATOM 604 C VAL A 41 -9.579 -2.020 -6.994 1.00 0.00 C ATOM 605 O VAL A 41 -8.924 -1.174 -6.386 1.00 0.00 O ATOM 606 CB VAL A 41 -8.761 -4.379 -7.123 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.328 -3.915 -6.904 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.948 -5.803 -6.620 1.00 0.00 C ATOM 0 H VAL A 41 -11.230 -4.761 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.546 -3.417 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.962 -4.364 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.643 -4.602 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.202 -2.915 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.111 -3.896 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.237 -6.462 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.777 -5.834 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.964 -6.135 -6.836 1.00 0.00 H new ATOM 618 N ALA A 42 -10.175 -1.777 -8.155 1.00 0.00 N ATOM 619 CA ALA A 42 -10.092 -0.473 -8.797 1.00 0.00 C ATOM 620 C ALA A 42 -10.791 0.588 -7.956 1.00 0.00 C ATOM 621 O ALA A 42 -10.342 1.732 -7.883 1.00 0.00 O ATOM 622 CB ALA A 42 -10.696 -0.533 -10.190 1.00 0.00 C ATOM 0 H ALA A 42 -10.721 -2.467 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.041 -0.198 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.627 0.449 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.152 -1.261 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.743 -0.830 -10.120 1.00 0.00 H new ATOM 628 N GLN A 43 -11.893 0.200 -7.317 1.00 0.00 N ATOM 629 CA GLN A 43 -12.649 1.118 -6.475 1.00 0.00 C ATOM 630 C GLN A 43 -11.756 1.696 -5.383 1.00 0.00 C ATOM 631 O GLN A 43 -11.732 2.906 -5.159 1.00 0.00 O ATOM 632 CB GLN A 43 -13.847 0.403 -5.847 1.00 0.00 C ATOM 633 CG GLN A 43 -15.067 1.295 -5.678 1.00 0.00 C ATOM 634 CD GLN A 43 -16.370 0.537 -5.845 1.00 0.00 C ATOM 635 OE1 GLN A 43 -17.085 0.286 -4.875 1.00 0.00 O ATOM 636 NE2 GLN A 43 -16.684 0.167 -7.081 1.00 0.00 N ATOM 0 H GLN A 43 -12.280 -0.742 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.014 1.934 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.115 -0.452 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.556 0.011 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.042 1.755 -4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.025 2.104 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.061 0.396 -7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.548 -0.347 -7.256 1.00 0.00 H new ATOM 645 N TYR A 44 -11.011 0.820 -4.718 1.00 0.00 N ATOM 646 CA TYR A 44 -10.101 1.236 -3.659 1.00 0.00 C ATOM 647 C TYR A 44 -8.951 2.048 -4.245 1.00 0.00 C ATOM 648 O TYR A 44 -8.529 3.056 -3.674 1.00 0.00 O ATOM 649 CB TYR A 44 -9.558 0.012 -2.918 1.00 0.00 C ATOM 650 CG TYR A 44 -8.633 0.353 -1.773 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.274 0.543 -1.985 1.00 0.00 C ATOM 652 CD2 TYR A 44 -9.119 0.481 -0.478 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.425 0.853 -0.940 1.00 0.00 C ATOM 654 CE2 TYR A 44 -8.276 0.789 0.574 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.931 0.973 0.337 1.00 0.00 C ATOM 656 OH TYR A 44 -6.090 1.282 1.381 1.00 0.00 O ATOM 0 H TYR A 44 -11.020 -0.185 -4.895 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.647 1.860 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.396 -0.570 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.026 -0.623 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.874 0.447 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.173 0.338 -0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.371 1.001 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.669 0.885 1.575 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.341 0.757 2.170 1.00 0.00 H new ATOM 666 N ARG A 45 -8.457 1.603 -5.396 1.00 0.00 N ATOM 667 CA ARG A 45 -7.363 2.286 -6.074 1.00 0.00 C ATOM 668 C ARG A 45 -7.786 3.691 -6.487 1.00 0.00 C ATOM 669 O ARG A 45 -6.971 4.613 -6.517 1.00 0.00 O ATOM 670 CB ARG A 45 -6.919 1.490 -7.303 1.00 0.00 C ATOM 671 CG ARG A 45 -6.153 0.222 -6.961 1.00 0.00 C ATOM 672 CD ARG A 45 -5.654 -0.487 -8.211 1.00 0.00 C ATOM 673 NE ARG A 45 -6.676 -0.550 -9.255 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.838 0.376 -10.198 1.00 0.00 C ATOM 675 NH1 ARG A 45 -6.057 1.448 -10.233 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.788 0.228 -11.112 1.00 0.00 N ATOM 0 H ARG A 45 -8.798 0.771 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.524 2.362 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.797 1.226 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.293 2.125 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.307 0.470 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.796 -0.450 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.776 0.032 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.339 -1.498 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.304 -1.354 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.324 1.568 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.189 2.152 -10.959 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.392 -0.594 -11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.914 0.936 -11.835 1.00 0.00 H new ATOM 690 N ASN A 46 -9.069 3.847 -6.801 1.00 0.00 N ATOM 691 CA ASN A 46 -9.605 5.140 -7.205 1.00 0.00 C ATOM 692 C ASN A 46 -9.596 6.113 -6.032 1.00 0.00 C ATOM 693 O ASN A 46 -9.401 7.315 -6.211 1.00 0.00 O ATOM 694 CB ASN A 46 -11.027 4.982 -7.744 1.00 0.00 C ATOM 695 CG ASN A 46 -11.551 6.258 -8.375 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.864 6.899 -9.170 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.775 6.634 -8.021 1.00 0.00 N ATOM 0 H ASN A 46 -9.756 3.093 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.971 5.541 -7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.046 4.180 -8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.689 4.683 -6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.180 7.484 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.309 6.072 -7.358 1.00 0.00 H new ATOM 704 N ILE A 47 -9.802 5.583 -4.830 1.00 0.00 N ATOM 705 CA ILE A 47 -9.811 6.405 -3.625 1.00 0.00 C ATOM 706 C ILE A 47 -8.484 7.138 -3.468 1.00 0.00 C ATOM 707 O ILE A 47 -8.439 8.368 -3.464 1.00 0.00 O ATOM 708 CB ILE A 47 -10.077 5.559 -2.362 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.384 4.777 -2.511 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.124 6.445 -1.122 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.539 3.663 -1.499 1.00 0.00 C ATOM 0 H ILE A 47 -9.965 4.590 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.619 7.128 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.259 4.849 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.223 5.465 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.433 4.355 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.313 5.830 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.171 6.960 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.923 7.179 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.487 3.151 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.720 2.953 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.522 4.081 -0.492 1.00 0.00 H new ATOM 723 N LEU A 48 -7.402 6.375 -3.348 1.00 0.00 N ATOM 724 CA LEU A 48 -6.076 6.961 -3.202 1.00 0.00 C ATOM 725 C LEU A 48 -5.701 7.744 -4.454 1.00 0.00 C ATOM 726 O LEU A 48 -5.192 8.860 -4.373 1.00 0.00 O ATOM 727 CB LEU A 48 -5.034 5.873 -2.934 1.00 0.00 C ATOM 728 CG LEU A 48 -5.414 4.847 -1.864 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.187 4.063 -1.427 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.067 5.527 -0.667 1.00 0.00 C ATOM 0 H LEU A 48 -7.418 5.355 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.095 7.643 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.838 5.344 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.101 6.353 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.137 4.154 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.471 3.337 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.763 3.542 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.445 4.748 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.328 4.777 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.372 6.245 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.969 6.046 -0.991 1.00 0.00 H new ATOM 742 N ASN A 49 -5.969 7.150 -5.614 1.00 0.00 N ATOM 743 CA ASN A 49 -5.669 7.790 -6.890 1.00 0.00 C ATOM 744 C ASN A 49 -6.271 9.193 -6.944 1.00 0.00 C ATOM 745 O ASN A 49 -5.726 10.092 -7.582 1.00 0.00 O ATOM 746 CB ASN A 49 -6.206 6.942 -8.046 1.00 0.00 C ATOM 747 CG ASN A 49 -5.895 7.548 -9.398 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.971 7.119 -10.088 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.669 8.555 -9.782 1.00 0.00 N ATOM 0 H ASN A 49 -6.393 6.226 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.587 7.875 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.775 5.942 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.285 6.830 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.509 9.007 -10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.424 8.878 -9.177 1.00 0.00 H new ATOM 756 N ALA A 50 -7.397 9.366 -6.265 1.00 0.00 N ATOM 757 CA ALA A 50 -8.081 10.652 -6.218 1.00 0.00 C ATOM 758 C ALA A 50 -7.368 11.632 -5.290 1.00 0.00 C ATOM 759 O ALA A 50 -7.464 12.847 -5.465 1.00 0.00 O ATOM 760 CB ALA A 50 -9.524 10.468 -5.781 1.00 0.00 C ATOM 0 H ALA A 50 -7.859 8.627 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.065 11.073 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.021 11.437 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.038 9.818 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.549 10.016 -4.789 1.00 0.00 H new ATOM 766 N SER A 51 -6.678 11.097 -4.288 1.00 0.00 N ATOM 767 CA SER A 51 -5.972 11.920 -3.310 1.00 0.00 C ATOM 768 C SER A 51 -4.710 12.552 -3.893 1.00 0.00 C ATOM 769 O SER A 51 -4.346 13.670 -3.531 1.00 0.00 O ATOM 770 CB SER A 51 -5.610 11.077 -2.085 1.00 0.00 C ATOM 771 OG SER A 51 -4.655 11.740 -1.274 1.00 0.00 O ATOM 0 H SER A 51 -6.592 10.093 -4.131 1.00 0.00 H new ATOM 0 HA SER A 51 -6.642 12.730 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.508 10.873 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.213 10.114 -2.407 1.00 0.00 H new ATOM 0 HG SER A 51 -4.441 11.182 -0.497 1.00 0.00 H new ATOM 777 N LEU A 52 -4.033 11.827 -4.773 1.00 0.00 N ATOM 778 CA LEU A 52 -2.797 12.324 -5.376 1.00 0.00 C ATOM 779 C LEU A 52 -3.051 13.400 -6.431 1.00 0.00 C ATOM 780 O LEU A 52 -2.467 14.482 -6.377 1.00 0.00 O ATOM 781 CB LEU A 52 -1.997 11.180 -5.993 1.00 0.00 C ATOM 782 CG LEU A 52 -2.821 10.126 -6.729 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.532 10.173 -8.216 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.527 8.748 -6.162 1.00 0.00 C ATOM 0 H LEU A 52 -4.314 10.898 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.221 12.779 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.272 11.601 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.431 10.687 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.880 10.339 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.127 9.416 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.788 11.159 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.473 9.979 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.119 8.002 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.467 8.523 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.783 8.728 -5.103 1.00 0.00 H new ATOM 796 N GLN A 53 -3.908 13.093 -7.401 1.00 0.00 N ATOM 797 CA GLN A 53 -4.217 14.029 -8.483 1.00 0.00 C ATOM 798 C GLN A 53 -4.496 15.441 -7.970 1.00 0.00 C ATOM 799 O GLN A 53 -4.315 16.418 -8.697 1.00 0.00 O ATOM 800 CB GLN A 53 -5.413 13.530 -9.289 1.00 0.00 C ATOM 801 CG GLN A 53 -6.713 13.497 -8.506 1.00 0.00 C ATOM 802 CD GLN A 53 -7.702 12.507 -9.084 1.00 0.00 C ATOM 803 OE1 GLN A 53 -8.860 12.840 -9.336 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.245 11.277 -9.297 1.00 0.00 N ATOM 0 H GLN A 53 -4.402 12.203 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.335 14.078 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.542 14.170 -10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.197 12.527 -9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.504 13.236 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.158 14.492 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.277 11.047 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.862 10.564 -9.685 1.00 0.00 H new ATOM 813 N VAL A 54 -4.938 15.547 -6.724 1.00 0.00 N ATOM 814 CA VAL A 54 -5.240 16.849 -6.134 1.00 0.00 C ATOM 815 C VAL A 54 -4.028 17.437 -5.414 1.00 0.00 C ATOM 816 O VAL A 54 -4.172 18.291 -4.539 1.00 0.00 O ATOM 817 CB VAL A 54 -6.425 16.770 -5.151 1.00 0.00 C ATOM 818 CG1 VAL A 54 -7.744 16.749 -5.906 1.00 0.00 C ATOM 819 CG2 VAL A 54 -6.299 15.553 -4.249 1.00 0.00 C ATOM 0 H VAL A 54 -5.096 14.753 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.512 17.504 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.406 17.659 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.569 16.693 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.838 17.658 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.773 15.881 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.146 15.518 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.287 14.649 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.373 15.618 -3.678 1.00 0.00 H new ATOM 829 N ASP A 55 -2.834 16.980 -5.787 1.00 0.00 N ATOM 830 CA ASP A 55 -1.603 17.470 -5.177 1.00 0.00 C ATOM 831 C ASP A 55 -1.197 18.809 -5.783 1.00 0.00 C ATOM 832 O ASP A 55 -1.739 19.229 -6.805 1.00 0.00 O ATOM 833 CB ASP A 55 -0.476 16.452 -5.362 1.00 0.00 C ATOM 834 CG ASP A 55 0.671 16.672 -4.395 1.00 0.00 C ATOM 835 OD1 ASP A 55 0.630 16.099 -3.286 1.00 0.00 O ATOM 836 OD2 ASP A 55 1.608 17.418 -4.746 1.00 0.00 O ATOM 0 H ASP A 55 -2.695 16.272 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.784 17.610 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.874 15.446 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.102 16.511 -6.384 1.00 0.00 H new ATOM 841 N ARG A 56 -0.238 19.476 -5.148 1.00 0.00 N ATOM 842 CA ARG A 56 0.240 20.767 -5.629 1.00 0.00 C ATOM 843 C ARG A 56 1.023 20.608 -6.929 1.00 0.00 C ATOM 844 O ARG A 56 0.977 21.475 -7.802 1.00 0.00 O ATOM 845 CB ARG A 56 1.118 21.437 -4.571 1.00 0.00 C ATOM 846 CG ARG A 56 0.366 21.805 -3.302 1.00 0.00 C ATOM 847 CD ARG A 56 1.307 21.942 -2.116 1.00 0.00 C ATOM 848 NE ARG A 56 0.745 22.787 -1.066 1.00 0.00 N ATOM 849 CZ ARG A 56 1.438 23.225 -0.016 1.00 0.00 C ATOM 850 NH1 ARG A 56 2.717 22.900 0.126 1.00 0.00 N ATOM 851 NH2 ARG A 56 0.850 23.991 0.892 1.00 0.00 N ATOM 0 H ARG A 56 0.223 19.144 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.628 21.397 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.940 20.768 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.561 22.338 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.169 22.743 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.383 21.042 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.524 20.954 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.255 22.363 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.236 23.058 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.174 22.312 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.243 23.238 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.132 24.245 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.380 24.327 1.696 1.00 0.00 H new ATOM 865 N ASP A 57 1.739 19.495 -7.050 1.00 0.00 N ATOM 866 CA ASP A 57 2.533 19.223 -8.244 1.00 0.00 C ATOM 867 C ASP A 57 1.885 18.131 -9.090 1.00 0.00 C ATOM 868 O ASP A 57 1.856 16.964 -8.699 1.00 0.00 O ATOM 869 CB ASP A 57 3.953 18.807 -7.853 1.00 0.00 C ATOM 870 CG ASP A 57 4.916 18.869 -9.023 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.191 19.988 -9.505 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.394 17.800 -9.456 1.00 0.00 O ATOM 0 H ASP A 57 1.786 18.767 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 57 2.580 20.137 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.312 19.457 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.935 17.793 -7.454 1.00 0.00 H new ATOM 877 N ALA A 58 1.368 18.519 -10.251 1.00 0.00 N ATOM 878 CA ALA A 58 0.721 17.575 -11.153 1.00 0.00 C ATOM 879 C ALA A 58 1.726 16.578 -11.719 1.00 0.00 C ATOM 880 O ALA A 58 1.397 15.415 -11.953 1.00 0.00 O ATOM 881 CB ALA A 58 0.021 18.319 -12.281 1.00 0.00 C ATOM 0 H ALA A 58 1.385 19.481 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.022 17.017 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.458 17.602 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.733 18.987 -11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.752 18.902 -12.841 1.00 0.00 H new ATOM 887 N ALA A 59 2.953 17.040 -11.938 1.00 0.00 N ATOM 888 CA ALA A 59 4.005 16.188 -12.477 1.00 0.00 C ATOM 889 C ALA A 59 4.255 14.983 -11.576 1.00 0.00 C ATOM 890 O ALA A 59 4.386 13.856 -12.052 1.00 0.00 O ATOM 891 CB ALA A 59 5.287 16.986 -12.662 1.00 0.00 C ATOM 0 H ALA A 59 3.242 18.000 -11.750 1.00 0.00 H new ATOM 0 HA ALA A 59 3.676 15.819 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.064 16.337 -13.065 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.107 17.809 -13.353 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.610 17.384 -11.700 1.00 0.00 H new ATOM 897 N ARG A 60 4.320 15.230 -10.272 1.00 0.00 N ATOM 898 CA ARG A 60 4.554 14.165 -9.303 1.00 0.00 C ATOM 899 C ARG A 60 3.336 13.251 -9.196 1.00 0.00 C ATOM 900 O ARG A 60 3.468 12.051 -8.951 1.00 0.00 O ATOM 901 CB ARG A 60 4.885 14.757 -7.933 1.00 0.00 C ATOM 902 CG ARG A 60 6.373 14.968 -7.705 1.00 0.00 C ATOM 903 CD ARG A 60 6.653 16.296 -7.017 1.00 0.00 C ATOM 904 NE ARG A 60 7.433 16.124 -5.793 1.00 0.00 N ATOM 905 CZ ARG A 60 8.110 17.107 -5.202 1.00 0.00 C ATOM 906 NH1 ARG A 60 8.104 18.329 -5.718 1.00 0.00 N ATOM 907 NH2 ARG A 60 8.794 16.865 -4.092 1.00 0.00 N ATOM 0 H ARG A 60 4.214 16.158 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 60 5.401 13.573 -9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.370 15.712 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.497 14.096 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.768 14.153 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.896 14.936 -8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.191 16.952 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.710 16.788 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 60 7.460 15.198 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.579 18.520 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.624 19.078 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.801 15.927 -3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.313 17.617 -3.639 1.00 0.00 H new ATOM 921 N SER A 61 2.153 13.826 -9.381 1.00 0.00 N ATOM 922 CA SER A 61 0.913 13.064 -9.307 1.00 0.00 C ATOM 923 C SER A 61 0.870 11.984 -10.384 1.00 0.00 C ATOM 924 O SER A 61 0.388 10.876 -10.147 1.00 0.00 O ATOM 925 CB SER A 61 -0.292 13.995 -9.453 1.00 0.00 C ATOM 926 OG SER A 61 -0.496 14.755 -8.274 1.00 0.00 O ATOM 0 H SER A 61 2.027 14.818 -9.583 1.00 0.00 H new ATOM 0 HA SER A 61 0.873 12.579 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.137 14.665 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.185 13.408 -9.670 1.00 0.00 H new ATOM 0 HG SER A 61 -1.294 14.429 -7.809 1.00 0.00 H new ATOM 932 N ARG A 62 1.375 12.316 -11.567 1.00 0.00 N ATOM 933 CA ARG A 62 1.395 11.376 -12.680 1.00 0.00 C ATOM 934 C ARG A 62 2.203 10.131 -12.329 1.00 0.00 C ATOM 935 O ARG A 62 1.832 9.015 -12.693 1.00 0.00 O ATOM 936 CB ARG A 62 1.981 12.041 -13.928 1.00 0.00 C ATOM 937 CG ARG A 62 0.970 12.870 -14.705 1.00 0.00 C ATOM 938 CD ARG A 62 0.428 12.108 -15.904 1.00 0.00 C ATOM 939 NE ARG A 62 -0.880 11.520 -15.633 1.00 0.00 N ATOM 940 CZ ARG A 62 -1.422 10.547 -16.363 1.00 0.00 C ATOM 941 NH1 ARG A 62 -0.771 10.052 -17.408 1.00 0.00 N ATOM 942 NH2 ARG A 62 -2.618 10.069 -16.048 1.00 0.00 N ATOM 0 H ARG A 62 1.776 13.230 -11.779 1.00 0.00 H new ATOM 0 HA ARG A 62 0.367 11.075 -12.884 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.813 12.680 -13.633 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.388 11.271 -14.583 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.146 13.150 -14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.438 13.795 -15.042 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.353 12.782 -16.758 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.129 11.321 -16.180 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.410 11.875 -14.837 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.149 10.417 -17.655 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.190 9.307 -17.964 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.123 10.447 -15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.033 9.324 -16.607 1.00 0.00 H new ATOM 956 N ARG A 63 3.308 10.331 -11.618 1.00 0.00 N ATOM 957 CA ARG A 63 4.168 9.224 -11.217 1.00 0.00 C ATOM 958 C ARG A 63 3.407 8.230 -10.346 1.00 0.00 C ATOM 959 O ARG A 63 3.569 7.018 -10.483 1.00 0.00 O ATOM 960 CB ARG A 63 5.391 9.748 -10.461 1.00 0.00 C ATOM 961 CG ARG A 63 6.499 10.254 -11.372 1.00 0.00 C ATOM 962 CD ARG A 63 7.874 9.910 -10.822 1.00 0.00 C ATOM 963 NE ARG A 63 7.986 10.211 -9.396 1.00 0.00 N ATOM 964 CZ ARG A 63 8.053 11.445 -8.903 1.00 0.00 C ATOM 965 NH1 ARG A 63 8.019 12.495 -9.713 1.00 0.00 N ATOM 966 NH2 ARG A 63 8.154 11.631 -7.593 1.00 0.00 N ATOM 0 H ARG A 63 3.629 11.248 -11.308 1.00 0.00 H new ATOM 0 HA ARG A 63 4.499 8.710 -12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.080 10.556 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.786 8.952 -9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.383 9.818 -12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.412 11.334 -11.487 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.075 8.851 -10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.633 10.467 -11.371 1.00 0.00 H new ATOM 0 HE ARG A 63 8.014 9.430 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.941 12.359 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.071 13.438 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.180 10.828 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.205 12.577 -7.215 1.00 0.00 H new ATOM 980 N LEU A 64 2.573 8.753 -9.453 1.00 0.00 N ATOM 981 CA LEU A 64 1.784 7.909 -8.560 1.00 0.00 C ATOM 982 C LEU A 64 0.699 7.169 -9.334 1.00 0.00 C ATOM 983 O LEU A 64 0.389 6.015 -9.039 1.00 0.00 O ATOM 984 CB LEU A 64 1.150 8.747 -7.445 1.00 0.00 C ATOM 985 CG LEU A 64 1.962 9.962 -6.988 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.353 10.568 -5.733 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.414 9.575 -6.741 1.00 0.00 C ATOM 0 H LEU A 64 2.426 9.754 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 64 2.455 7.176 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.173 9.092 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.978 8.102 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 64 1.936 10.709 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.943 11.430 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.331 10.883 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.349 9.825 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.974 10.452 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.460 8.809 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.849 9.187 -7.662 1.00 0.00 H new ATOM 999 N MET A 65 0.124 7.841 -10.327 1.00 0.00 N ATOM 1000 CA MET A 65 -0.927 7.247 -11.143 1.00 0.00 C ATOM 1001 C MET A 65 -0.426 5.986 -11.840 1.00 0.00 C ATOM 1002 O MET A 65 -1.171 5.021 -12.013 1.00 0.00 O ATOM 1003 CB MET A 65 -1.430 8.256 -12.178 1.00 0.00 C ATOM 1004 CG MET A 65 -1.886 9.571 -11.565 1.00 0.00 C ATOM 1005 SD MET A 65 -3.420 10.183 -12.291 1.00 0.00 S ATOM 1006 CE MET A 65 -4.417 10.427 -10.824 1.00 0.00 C ATOM 0 H MET A 65 0.369 8.797 -10.585 1.00 0.00 H new ATOM 0 HA MET A 65 -1.753 6.972 -10.487 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.635 8.455 -12.897 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.259 7.815 -12.732 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.024 9.438 -10.492 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.104 10.319 -11.695 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.447 10.632 -11.114 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.385 9.528 -10.209 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.026 11.270 -10.254 1.00 0.00 H new ATOM 1016 N ALA A 66 0.844 5.997 -12.230 1.00 0.00 N ATOM 1017 CA ALA A 66 1.446 4.852 -12.898 1.00 0.00 C ATOM 1018 C ALA A 66 1.822 3.784 -11.881 1.00 0.00 C ATOM 1019 O ALA A 66 1.753 2.587 -12.164 1.00 0.00 O ATOM 1020 CB ALA A 66 2.666 5.284 -13.696 1.00 0.00 C ATOM 0 H ALA A 66 1.475 6.787 -12.094 1.00 0.00 H new ATOM 0 HA ALA A 66 0.717 4.429 -13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.104 4.416 -14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.369 6.016 -14.447 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.401 5.729 -13.025 1.00 0.00 H new ATOM 1026 N LYS A 67 2.211 4.226 -10.690 1.00 0.00 N ATOM 1027 CA LYS A 67 2.588 3.310 -9.623 1.00 0.00 C ATOM 1028 C LYS A 67 1.369 2.533 -9.139 1.00 0.00 C ATOM 1029 O LYS A 67 1.481 1.385 -8.709 1.00 0.00 O ATOM 1030 CB LYS A 67 3.221 4.077 -8.460 1.00 0.00 C ATOM 1031 CG LYS A 67 4.741 4.083 -8.494 1.00 0.00 C ATOM 1032 CD LYS A 67 5.327 4.466 -7.144 1.00 0.00 C ATOM 1033 CE LYS A 67 5.771 5.921 -7.120 1.00 0.00 C ATOM 1034 NZ LYS A 67 4.851 6.768 -6.312 1.00 0.00 N ATOM 0 H LYS A 67 2.273 5.213 -10.441 1.00 0.00 H new ATOM 0 HA LYS A 67 3.321 2.605 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.861 5.106 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.888 3.636 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.103 3.096 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.086 4.784 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.585 4.298 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.177 3.822 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.779 5.986 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.816 6.304 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.233 7.733 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.915 6.794 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.762 6.369 -5.356 1.00 0.00 H new ATOM 1048 N LEU A 68 0.202 3.167 -9.222 1.00 0.00 N ATOM 1049 CA LEU A 68 -1.042 2.537 -8.804 1.00 0.00 C ATOM 1050 C LEU A 68 -1.509 1.530 -9.850 1.00 0.00 C ATOM 1051 O LEU A 68 -2.180 0.551 -9.530 1.00 0.00 O ATOM 1052 CB LEU A 68 -2.124 3.596 -8.571 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.703 3.631 -7.155 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -1.996 4.684 -6.315 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.200 3.897 -7.196 1.00 0.00 C ATOM 0 H LEU A 68 0.095 4.118 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.862 2.008 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.707 4.576 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.938 3.423 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.540 2.657 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.421 4.694 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.933 4.449 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.127 5.664 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.594 3.918 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.386 4.857 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.695 3.106 -7.760 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.143 1.778 -11.106 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.519 0.892 -12.200 1.00 0.00 C ATOM 1069 C ALA A 69 -1.068 -0.540 -11.925 1.00 0.00 C ATOM 1070 O ALA A 69 -1.644 -1.495 -12.445 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.926 1.392 -13.509 1.00 0.00 C ATOM 0 H ALA A 69 -0.587 2.585 -11.389 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.606 0.894 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.214 0.721 -14.319 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.299 2.395 -13.718 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.161 1.419 -13.429 1.00 0.00 H new ATOM 1077 N ASP A 70 -0.031 -0.680 -11.103 1.00 0.00 N ATOM 1078 CA ASP A 70 0.500 -1.993 -10.756 1.00 0.00 C ATOM 1079 C ASP A 70 0.094 -2.398 -9.339 1.00 0.00 C ATOM 1080 O ASP A 70 0.682 -3.307 -8.753 1.00 0.00 O ATOM 1081 CB ASP A 70 2.027 -1.993 -10.884 1.00 0.00 C ATOM 1082 CG ASP A 70 2.515 -2.911 -11.988 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.794 -3.875 -12.322 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.618 -2.665 -12.521 1.00 0.00 O ATOM 0 H ASP A 70 0.458 0.101 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 70 0.080 -2.721 -11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.372 -0.978 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.468 -2.302 -9.937 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.913 -1.720 -8.792 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.389 -2.017 -7.445 1.00 0.00 C ATOM 1091 C PHE A 71 -1.898 -3.453 -7.352 1.00 0.00 C ATOM 1092 O PHE A 71 -2.690 -3.897 -8.183 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.503 -1.044 -7.050 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.720 -0.946 -5.567 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.744 -0.405 -4.746 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.899 -1.393 -4.995 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -1.939 -0.311 -3.381 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.101 -1.303 -3.631 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.120 -0.761 -2.822 1.00 0.00 C ATOM 0 H PHE A 71 -1.413 -0.964 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.552 -1.901 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.264 -0.054 -7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.433 -1.358 -7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.819 -0.052 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.669 -1.817 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.170 0.113 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.025 -1.656 -3.197 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.276 -0.689 -1.756 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.436 -4.174 -6.336 1.00 0.00 N ATOM 1110 CA ALA A 72 -1.843 -5.560 -6.134 1.00 0.00 C ATOM 1111 C ALA A 72 -1.428 -6.431 -7.316 1.00 0.00 C ATOM 1112 O ALA A 72 -2.273 -6.945 -8.050 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.347 -5.641 -5.917 1.00 0.00 C ATOM 0 H ALA A 72 -0.779 -3.822 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.338 -5.937 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.638 -6.681 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.620 -5.058 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.863 -5.242 -6.791 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.120 -6.592 -7.494 1.00 0.00 N ATOM 1120 CA VAL A 73 0.408 -7.400 -8.586 1.00 0.00 C ATOM 1121 C VAL A 73 0.897 -8.753 -8.081 1.00 0.00 C ATOM 1122 O VAL A 73 1.239 -8.902 -6.908 1.00 0.00 O ATOM 1123 CB VAL A 73 1.568 -6.687 -9.307 1.00 0.00 C ATOM 1124 CG1 VAL A 73 1.037 -5.591 -10.218 1.00 0.00 C ATOM 1125 CG2 VAL A 73 2.556 -6.119 -8.298 1.00 0.00 C ATOM 0 H VAL A 73 0.592 -6.174 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.410 -7.549 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 73 2.092 -7.418 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.871 -5.098 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.373 -6.028 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.487 -4.860 -9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.368 -5.619 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.047 -5.402 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.962 -6.928 -7.691 1.00 0.00 H new ATOM 1135 N GLU A 74 0.927 -9.736 -8.974 1.00 0.00 N ATOM 1136 CA GLU A 74 1.375 -11.078 -8.618 1.00 0.00 C ATOM 1137 C GLU A 74 2.895 -11.135 -8.517 1.00 0.00 C ATOM 1138 O GLU A 74 3.583 -11.413 -9.500 1.00 0.00 O ATOM 1139 CB GLU A 74 0.881 -12.094 -9.649 1.00 0.00 C ATOM 1140 CG GLU A 74 -0.612 -12.007 -9.922 1.00 0.00 C ATOM 1141 CD GLU A 74 -1.248 -13.370 -10.117 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.934 -14.290 -9.333 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -2.061 -13.517 -11.054 1.00 0.00 O ATOM 0 H GLU A 74 0.647 -9.629 -9.949 1.00 0.00 H new ATOM 0 HA GLU A 74 0.955 -11.328 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.422 -11.944 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.120 -13.099 -9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.101 -11.497 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.780 -11.401 -10.812 1.00 0.00 H new ATOM 1150 N GLN A 75 3.414 -10.870 -7.323 1.00 0.00 N ATOM 1151 CA GLN A 75 4.854 -10.891 -7.091 1.00 0.00 C ATOM 1152 C GLN A 75 5.174 -11.470 -5.717 1.00 0.00 C ATOM 1153 O GLN A 75 4.317 -11.508 -4.833 1.00 0.00 O ATOM 1154 CB GLN A 75 5.431 -9.480 -7.209 1.00 0.00 C ATOM 1155 CG GLN A 75 4.880 -8.508 -6.178 1.00 0.00 C ATOM 1156 CD GLN A 75 5.585 -7.166 -6.205 1.00 0.00 C ATOM 1157 OE1 GLN A 75 6.700 -7.049 -6.712 1.00 0.00 O ATOM 1158 NE2 GLN A 75 4.936 -6.145 -5.656 1.00 0.00 N ATOM 0 H GLN A 75 2.858 -10.638 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 75 5.310 -11.527 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.515 -9.530 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.223 -9.094 -8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.815 -8.358 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.977 -8.945 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.013 -6.288 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.361 -5.218 -5.644 1.00 0.00 H new ATOM 1167 N GLU A 76 6.412 -11.921 -5.545 1.00 0.00 N ATOM 1168 CA GLU A 76 6.843 -12.500 -4.277 1.00 0.00 C ATOM 1169 C GLU A 76 7.401 -11.425 -3.350 1.00 0.00 C ATOM 1170 O GLU A 76 8.323 -10.694 -3.713 1.00 0.00 O ATOM 1171 CB GLU A 76 7.902 -13.578 -4.517 1.00 0.00 C ATOM 1172 CG GLU A 76 8.091 -14.517 -3.338 1.00 0.00 C ATOM 1173 CD GLU A 76 7.075 -15.643 -3.320 1.00 0.00 C ATOM 1174 OE1 GLU A 76 5.911 -15.386 -2.945 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.443 -16.780 -3.683 1.00 0.00 O ATOM 0 H GLU A 76 7.133 -11.897 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 76 5.974 -12.953 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.622 -14.161 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.853 -13.097 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.095 -14.939 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.015 -13.949 -2.411 1.00 0.00 H new ATOM 1182 N VAL A 77 6.840 -11.340 -2.148 1.00 0.00 N ATOM 1183 CA VAL A 77 7.285 -10.359 -1.166 1.00 0.00 C ATOM 1184 C VAL A 77 8.525 -10.850 -0.437 1.00 0.00 C ATOM 1185 O VAL A 77 8.656 -12.037 -0.137 1.00 0.00 O ATOM 1186 CB VAL A 77 6.179 -10.045 -0.140 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.596 -8.898 0.768 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.868 -9.726 -0.845 1.00 0.00 C ATOM 0 H VAL A 77 6.077 -11.938 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 77 7.524 -9.445 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 77 6.027 -10.929 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.800 -8.693 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.505 -9.170 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.781 -8.007 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.100 -9.507 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.004 -8.860 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.560 -10.582 -1.445 1.00 0.00 H new ATOM 1198 N THR A 78 9.440 -9.929 -0.169 1.00 0.00 N ATOM 1199 CA THR A 78 10.682 -10.263 0.509 1.00 0.00 C ATOM 1200 C THR A 78 10.843 -9.465 1.796 1.00 0.00 C ATOM 1201 O THR A 78 10.200 -8.432 1.981 1.00 0.00 O ATOM 1202 CB THR A 78 11.863 -9.988 -0.418 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.439 -9.908 -1.766 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.930 -11.047 -0.336 1.00 0.00 C ATOM 0 H THR A 78 9.344 -8.943 -0.412 1.00 0.00 H new ATOM 0 HA THR A 78 10.653 -11.321 0.768 1.00 0.00 H new ATOM 0 HB THR A 78 12.282 -9.038 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.212 -9.730 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.744 -10.797 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.313 -11.099 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.507 -12.012 -0.615 1.00 0.00 H new ATOM 1212 N ALA A 79 11.717 -9.942 2.679 1.00 0.00 N ATOM 1213 CA ALA A 79 11.965 -9.253 3.935 1.00 0.00 C ATOM 1214 C ALA A 79 12.531 -7.868 3.669 1.00 0.00 C ATOM 1215 O ALA A 79 13.195 -7.643 2.656 1.00 0.00 O ATOM 1216 CB ALA A 79 12.904 -10.053 4.821 1.00 0.00 C ATOM 0 H ALA A 79 12.259 -10.796 2.547 1.00 0.00 H new ATOM 0 HA ALA A 79 11.016 -9.150 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.072 -9.514 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.460 -11.024 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.855 -10.195 4.308 1.00 0.00 H new ATOM 1222 N GLY A 80 12.242 -6.935 4.563 1.00 0.00 N ATOM 1223 CA GLY A 80 12.707 -5.576 4.384 1.00 0.00 C ATOM 1224 C GLY A 80 11.676 -4.741 3.657 1.00 0.00 C ATOM 1225 O GLY A 80 11.553 -3.539 3.896 1.00 0.00 O ATOM 0 H GLY A 80 11.694 -7.094 5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.922 -5.130 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.640 -5.578 3.821 1.00 0.00 H new ATOM 1229 N ASP A 81 10.912 -5.392 2.781 1.00 0.00 N ATOM 1230 CA ASP A 81 9.863 -4.719 2.032 1.00 0.00 C ATOM 1231 C ASP A 81 8.670 -4.456 2.945 1.00 0.00 C ATOM 1232 O ASP A 81 8.818 -4.427 4.167 1.00 0.00 O ATOM 1233 CB ASP A 81 9.440 -5.571 0.831 1.00 0.00 C ATOM 1234 CG ASP A 81 10.626 -6.073 0.031 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.464 -5.240 -0.375 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.718 -7.298 -0.189 1.00 0.00 O ATOM 0 H ASP A 81 11.004 -6.387 2.575 1.00 0.00 H new ATOM 0 HA ASP A 81 10.242 -3.767 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.855 -6.422 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.791 -4.983 0.183 1.00 0.00 H new ATOM 1241 N ARG A 82 7.490 -4.270 2.364 1.00 0.00 N ATOM 1242 CA ARG A 82 6.295 -4.016 3.156 1.00 0.00 C ATOM 1243 C ARG A 82 5.045 -4.540 2.460 1.00 0.00 C ATOM 1244 O ARG A 82 5.020 -4.710 1.243 1.00 0.00 O ATOM 1245 CB ARG A 82 6.144 -2.518 3.424 1.00 0.00 C ATOM 1246 CG ARG A 82 6.912 -2.033 4.644 1.00 0.00 C ATOM 1247 CD ARG A 82 7.782 -0.830 4.313 1.00 0.00 C ATOM 1248 NE ARG A 82 9.155 -1.218 4.002 1.00 0.00 N ATOM 1249 CZ ARG A 82 10.013 -0.443 3.341 1.00 0.00 C ATOM 1250 NH1 ARG A 82 9.645 0.761 2.922 1.00 0.00 N ATOM 1251 NH2 ARG A 82 11.243 -0.876 3.098 1.00 0.00 N ATOM 0 H ARG A 82 7.337 -4.290 1.356 1.00 0.00 H new ATOM 0 HA ARG A 82 6.408 -4.545 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.485 -1.965 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.087 -2.287 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.211 -1.769 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.536 -2.840 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.355 -0.296 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.782 -0.140 5.156 1.00 0.00 H new ATOM 0 HE ARG A 82 9.476 -2.136 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.700 1.098 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.307 1.349 2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.530 -1.801 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.901 -0.284 2.592 1.00 0.00 H new ATOM 1265 N VAL A 83 4.006 -4.782 3.251 1.00 0.00 N ATOM 1266 CA VAL A 83 2.739 -5.274 2.731 1.00 0.00 C ATOM 1267 C VAL A 83 1.594 -4.382 3.195 1.00 0.00 C ATOM 1268 O VAL A 83 1.361 -4.228 4.394 1.00 0.00 O ATOM 1269 CB VAL A 83 2.469 -6.724 3.182 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.120 -7.210 2.672 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.585 -7.643 2.711 1.00 0.00 C ATOM 0 H VAL A 83 4.019 -4.644 4.262 1.00 0.00 H new ATOM 0 HA VAL A 83 2.803 -5.255 1.643 1.00 0.00 H new ATOM 0 HB VAL A 83 2.443 -6.743 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.953 -8.235 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.330 -6.569 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.109 -7.175 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.379 -8.662 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.644 -7.615 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.533 -7.311 3.134 1.00 0.00 H new ATOM 1281 N VAL A 84 0.885 -3.790 2.242 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.229 -2.909 2.563 1.00 0.00 C ATOM 1283 C VAL A 84 -1.547 -3.673 2.589 1.00 0.00 C ATOM 1284 O VAL A 84 -1.970 -4.238 1.580 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.331 -1.741 1.559 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.819 -2.224 0.200 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.243 -0.653 2.103 1.00 0.00 C ATOM 0 H VAL A 84 1.061 -3.904 1.244 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.036 -2.502 3.556 1.00 0.00 H new ATOM 0 HB VAL A 84 0.666 -1.323 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.881 -1.379 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.122 -2.962 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.805 -2.677 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.305 0.164 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.238 -1.064 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.841 -0.278 3.044 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.197 -3.683 3.747 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.470 -4.373 3.892 1.00 0.00 C ATOM 1299 C VAL A 85 -4.627 -3.403 3.683 1.00 0.00 C ATOM 1300 O VAL A 85 -4.628 -2.296 4.221 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.601 -5.050 5.269 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.792 -5.994 5.287 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.322 -5.797 5.617 1.00 0.00 C ATOM 0 H VAL A 85 -1.864 -3.223 4.594 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.506 -5.151 3.130 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.764 -4.277 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.869 -6.464 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.704 -5.434 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.658 -6.763 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.431 -6.270 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.130 -6.561 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.487 -5.096 5.644 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.600 -3.818 2.882 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.755 -2.976 2.583 1.00 0.00 C ATOM 1315 C ILE A 86 -7.638 -2.770 3.813 1.00 0.00 C ATOM 1316 O ILE A 86 -8.444 -1.842 3.857 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.614 -3.552 1.434 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.740 -4.271 0.399 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.403 -2.437 0.769 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -7.524 -4.844 -0.764 1.00 0.00 C ATOM 0 H ILE A 86 -5.614 -4.731 2.427 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.350 -2.014 2.268 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.306 -4.280 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.996 -3.572 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.196 -5.077 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.006 -2.850 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.056 -1.965 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.714 -1.695 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.841 -5.337 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.250 -5.568 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.046 -4.040 -1.282 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.474 -3.629 4.815 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.253 -3.523 6.043 1.00 0.00 C ATOM 1334 C ASP A 87 -7.391 -2.952 7.164 1.00 0.00 C ATOM 1335 O ASP A 87 -7.825 -2.077 7.909 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.805 -4.892 6.447 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.105 -4.784 7.221 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.850 -3.808 6.996 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.376 -5.677 8.051 1.00 0.00 O ATOM 0 H ASP A 87 -6.811 -4.404 4.800 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.092 -2.850 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.966 -5.494 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.066 -5.414 7.054 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.163 -3.447 7.267 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.248 -2.965 8.285 1.00 0.00 C ATOM 1346 C GLY A 88 -4.493 -4.089 8.973 1.00 0.00 C ATOM 1347 O GLY A 88 -4.591 -5.249 8.573 1.00 0.00 O ATOM 0 H GLY A 88 -5.784 -4.175 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.534 -2.278 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.806 -2.398 9.030 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.745 -3.740 10.017 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.973 -4.721 10.777 1.00 0.00 C ATOM 1353 C LEU A 89 -2.256 -4.048 11.945 1.00 0.00 C ATOM 1354 O LEU A 89 -1.691 -2.965 11.796 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.957 -5.425 9.874 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.370 -6.720 10.441 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.480 -7.665 10.877 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.468 -7.392 9.415 1.00 0.00 C ATOM 0 H LEU A 89 -3.657 -2.782 10.357 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.664 -5.466 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.436 -5.649 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.140 -4.735 9.666 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.769 -6.470 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.043 -8.580 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.085 -7.185 11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.108 -7.908 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.060 -8.311 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.046 -7.628 8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.348 -6.719 9.152 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.286 -4.689 13.110 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.641 -4.134 14.296 1.00 0.00 C ATOM 1372 C ASP A 90 -0.951 -5.223 15.114 1.00 0.00 C ATOM 1373 O ASP A 90 -1.122 -5.299 16.331 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.665 -3.400 15.162 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.022 -2.376 16.076 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -1.558 -1.335 15.566 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -1.982 -2.615 17.301 1.00 0.00 O ATOM 0 H ASP A 90 -2.747 -5.587 13.258 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.881 -3.427 13.962 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.391 -2.903 14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.215 -4.125 15.763 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.165 -6.059 14.443 1.00 0.00 N ATOM 1383 CA ARG A 91 0.553 -7.138 15.113 1.00 0.00 C ATOM 1384 C ARG A 91 1.379 -7.945 14.119 1.00 0.00 C ATOM 1385 O ARG A 91 1.127 -7.912 12.914 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.422 -8.063 15.843 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.436 -8.724 14.923 1.00 0.00 C ATOM 1388 CD ARG A 91 -2.859 -8.345 15.297 1.00 0.00 C ATOM 1389 NE ARG A 91 -3.803 -9.428 15.027 1.00 0.00 N ATOM 1390 CZ ARG A 91 -5.015 -9.507 15.573 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -5.432 -8.573 16.419 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -5.810 -10.524 15.273 1.00 0.00 N ATOM 0 H ARG A 91 -0.009 -6.010 13.436 1.00 0.00 H new ATOM 0 HA ARG A 91 1.227 -6.685 15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.144 -8.837 16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.953 -7.491 16.604 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.239 -8.430 13.892 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.322 -9.807 14.973 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.899 -8.085 16.355 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.156 -7.457 14.739 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.517 -10.166 14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.823 -7.789 16.654 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.361 -8.639 16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.493 -11.245 14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.739 -10.586 15.690 1.00 0.00 H new ATOM 1406 N MET A 92 2.361 -8.677 14.633 1.00 0.00 N ATOM 1407 CA MET A 92 3.222 -9.502 13.793 1.00 0.00 C ATOM 1408 C MET A 92 2.427 -10.654 13.191 1.00 0.00 C ATOM 1409 O MET A 92 1.804 -11.432 13.913 1.00 0.00 O ATOM 1410 CB MET A 92 4.397 -10.043 14.608 1.00 0.00 C ATOM 1411 CG MET A 92 5.701 -10.088 13.830 1.00 0.00 C ATOM 1412 SD MET A 92 7.069 -10.744 14.804 1.00 0.00 S ATOM 1413 CE MET A 92 8.462 -10.284 13.777 1.00 0.00 C ATOM 0 H MET A 92 2.581 -8.716 15.628 1.00 0.00 H new ATOM 0 HA MET A 92 3.612 -8.885 12.983 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.532 -9.422 15.493 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.156 -11.047 14.957 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.567 -10.702 12.939 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.951 -9.083 13.490 1.00 0.00 H new ATOM 0 HE1 MET A 92 9.002 -11.181 13.474 1.00 0.00 H new ATOM 0 HE2 MET A 92 8.104 -9.760 12.891 1.00 0.00 H new ATOM 0 HE3 MET A 92 9.129 -9.631 14.340 1.00 0.00 H new ATOM 1423 N ALA A 93 2.439 -10.751 11.865 1.00 0.00 N ATOM 1424 CA ALA A 93 1.698 -11.807 11.183 1.00 0.00 C ATOM 1425 C ALA A 93 2.526 -12.486 10.098 1.00 0.00 C ATOM 1426 O ALA A 93 3.058 -11.831 9.204 1.00 0.00 O ATOM 1427 CB ALA A 93 0.415 -11.247 10.590 1.00 0.00 C ATOM 0 H ALA A 93 2.948 -10.119 11.247 1.00 0.00 H new ATOM 0 HA ALA A 93 1.455 -12.565 11.927 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.130 -12.044 10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.204 -10.834 11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.658 -10.462 9.874 1.00 0.00 H new ATOM 1433 N HIS A 94 2.617 -13.809 10.178 1.00 0.00 N ATOM 1434 CA HIS A 94 3.369 -14.587 9.201 1.00 0.00 C ATOM 1435 C HIS A 94 2.805 -14.394 7.798 1.00 0.00 C ATOM 1436 O HIS A 94 1.599 -14.240 7.616 1.00 0.00 O ATOM 1437 CB HIS A 94 3.352 -16.071 9.579 1.00 0.00 C ATOM 1438 CG HIS A 94 3.889 -16.980 8.515 1.00 0.00 C ATOM 1439 ND1 HIS A 94 3.158 -17.350 7.406 1.00 0.00 N ATOM 1440 CD2 HIS A 94 5.088 -17.598 8.397 1.00 0.00 C ATOM 1441 CE1 HIS A 94 3.884 -18.158 6.653 1.00 0.00 C ATOM 1442 NE2 HIS A 94 5.059 -18.323 7.232 1.00 0.00 N ATOM 0 H HIS A 94 2.178 -14.366 10.911 1.00 0.00 H new ATOM 0 HA HIS A 94 4.400 -14.232 9.205 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.936 -16.210 10.489 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.328 -16.364 9.810 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.206 -17.048 7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.913 -17.533 9.090 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.570 -18.607 5.722 1.00 0.00 H new ATOM 1451 N PHE A 95 3.694 -14.403 6.810 1.00 0.00 N ATOM 1452 CA PHE A 95 3.293 -14.226 5.421 1.00 0.00 C ATOM 1453 C PHE A 95 3.756 -15.397 4.553 1.00 0.00 C ATOM 1454 O PHE A 95 3.136 -15.700 3.535 1.00 0.00 O ATOM 1455 CB PHE A 95 3.855 -12.909 4.877 1.00 0.00 C ATOM 1456 CG PHE A 95 3.601 -12.703 3.410 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.342 -12.346 2.956 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.621 -12.870 2.487 1.00 0.00 C ATOM 1459 CE1 PHE A 95 2.105 -12.157 1.607 1.00 0.00 C ATOM 1460 CE2 PHE A 95 4.390 -12.683 1.138 1.00 0.00 C ATOM 1461 CZ PHE A 95 3.130 -12.326 0.697 1.00 0.00 C ATOM 0 H PHE A 95 4.697 -14.531 6.947 1.00 0.00 H new ATOM 0 HA PHE A 95 2.204 -14.194 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.416 -12.080 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.929 -12.881 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.537 -12.214 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.608 -13.149 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.119 -11.878 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.193 -12.816 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.947 -12.179 -0.357 1.00 0.00 H new ATOM 1471 N LYS A 96 4.847 -16.052 4.954 1.00 0.00 N ATOM 1472 CA LYS A 96 5.374 -17.183 4.194 1.00 0.00 C ATOM 1473 C LYS A 96 6.627 -17.752 4.851 1.00 0.00 C ATOM 1474 O LYS A 96 7.434 -17.011 5.410 1.00 0.00 O ATOM 1475 CB LYS A 96 5.694 -16.760 2.757 1.00 0.00 C ATOM 1476 CG LYS A 96 6.693 -15.619 2.668 1.00 0.00 C ATOM 1477 CD LYS A 96 6.688 -14.981 1.289 1.00 0.00 C ATOM 1478 CE LYS A 96 7.831 -15.497 0.431 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.584 -16.885 -0.047 1.00 0.00 N ATOM 0 H LYS A 96 5.378 -15.820 5.794 1.00 0.00 H new ATOM 0 HA LYS A 96 4.608 -17.958 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.087 -17.619 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.770 -16.463 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.455 -14.866 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.692 -15.990 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.739 -15.188 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.766 -13.898 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.968 -14.837 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.757 -15.470 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.276 -17.126 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.680 -17.548 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.623 -16.951 -0.439 1.00 0.00 H new ATOM 1493 N ASP A 97 6.782 -19.073 4.773 1.00 0.00 N ATOM 1494 CA ASP A 97 7.938 -19.752 5.355 1.00 0.00 C ATOM 1495 C ASP A 97 8.179 -19.295 6.796 1.00 0.00 C ATOM 1496 O ASP A 97 7.643 -19.880 7.736 1.00 0.00 O ATOM 1497 CB ASP A 97 9.184 -19.508 4.499 1.00 0.00 C ATOM 1498 CG ASP A 97 9.444 -20.636 3.521 1.00 0.00 C ATOM 1499 OD1 ASP A 97 8.471 -21.306 3.115 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.621 -20.852 3.162 1.00 0.00 O ATOM 0 H ASP A 97 6.119 -19.696 4.311 1.00 0.00 H new ATOM 0 HA ASP A 97 7.729 -20.822 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.066 -18.574 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.050 -19.388 5.149 1.00 0.00 H new ATOM 1505 N ASP A 98 8.978 -18.245 6.963 1.00 0.00 N ATOM 1506 CA ASP A 98 9.273 -17.717 8.289 1.00 0.00 C ATOM 1507 C ASP A 98 9.289 -16.191 8.290 1.00 0.00 C ATOM 1508 O ASP A 98 9.711 -15.569 9.264 1.00 0.00 O ATOM 1509 CB ASP A 98 10.614 -18.255 8.791 1.00 0.00 C ATOM 1510 CG ASP A 98 10.481 -19.606 9.467 1.00 0.00 C ATOM 1511 OD1 ASP A 98 10.162 -20.591 8.767 1.00 0.00 O ATOM 1512 OD2 ASP A 98 10.694 -19.679 10.696 1.00 0.00 O ATOM 0 H ASP A 98 9.431 -17.745 6.198 1.00 0.00 H new ATOM 0 HA ASP A 98 8.481 -18.048 8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.305 -18.338 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.048 -17.542 9.492 1.00 0.00 H new ATOM 1517 N LEU A 99 8.818 -15.587 7.201 1.00 0.00 N ATOM 1518 CA LEU A 99 8.775 -14.137 7.097 1.00 0.00 C ATOM 1519 C LEU A 99 7.414 -13.619 7.537 1.00 0.00 C ATOM 1520 O LEU A 99 6.385 -13.999 6.979 1.00 0.00 O ATOM 1521 CB LEU A 99 9.062 -13.694 5.660 1.00 0.00 C ATOM 1522 CG LEU A 99 10.476 -13.986 5.157 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.694 -13.354 3.792 1.00 0.00 C ATOM 1524 CD2 LEU A 99 11.512 -13.479 6.151 1.00 0.00 C ATOM 0 H LEU A 99 8.463 -16.081 6.382 1.00 0.00 H new ATOM 0 HA LEU A 99 9.542 -13.722 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.350 -14.185 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.881 -12.622 5.585 1.00 0.00 H new ATOM 0 HG LEU A 99 10.592 -15.066 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.705 -13.571 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.974 -13.762 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.559 -12.275 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.512 -13.696 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.398 -12.403 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.369 -13.975 7.111 1.00 0.00 H new ATOM 1536 N VAL A 100 7.410 -12.754 8.543 1.00 0.00 N ATOM 1537 CA VAL A 100 6.167 -12.197 9.052 1.00 0.00 C ATOM 1538 C VAL A 100 6.035 -10.722 8.713 1.00 0.00 C ATOM 1539 O VAL A 100 6.948 -10.109 8.162 1.00 0.00 O ATOM 1540 CB VAL A 100 6.040 -12.355 10.578 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.957 -13.821 10.971 1.00 0.00 C ATOM 1542 CG2 VAL A 100 7.192 -11.671 11.291 1.00 0.00 C ATOM 0 H VAL A 100 8.250 -12.425 9.020 1.00 0.00 H new ATOM 0 HA VAL A 100 5.371 -12.761 8.566 1.00 0.00 H new ATOM 0 HB VAL A 100 5.114 -11.871 10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.868 -13.903 12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.085 -14.275 10.500 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.858 -14.338 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.080 -11.797 12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.134 -12.116 10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.191 -10.608 11.048 1.00 0.00 H new ATOM 1552 N LEU A 101 4.884 -10.166 9.057 1.00 0.00 N ATOM 1553 CA LEU A 101 4.598 -8.766 8.809 1.00 0.00 C ATOM 1554 C LEU A 101 4.365 -8.038 10.125 1.00 0.00 C ATOM 1555 O LEU A 101 3.495 -8.419 10.906 1.00 0.00 O ATOM 1556 CB LEU A 101 3.361 -8.646 7.922 1.00 0.00 C ATOM 1557 CG LEU A 101 3.624 -8.758 6.422 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.324 -9.009 5.671 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.307 -7.501 5.911 1.00 0.00 C ATOM 0 H LEU A 101 4.126 -10.672 9.514 1.00 0.00 H new ATOM 0 HA LEU A 101 5.450 -8.312 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.651 -9.422 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.883 -7.687 8.120 1.00 0.00 H new ATOM 0 HG LEU A 101 4.288 -9.605 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.530 -9.086 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.875 -9.938 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.636 -8.183 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.488 -7.595 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.667 -6.638 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.256 -7.366 6.429 1.00 0.00 H new ATOM 1571 N VAL A 102 5.142 -6.991 10.368 1.00 0.00 N ATOM 1572 CA VAL A 102 5.010 -6.219 11.596 1.00 0.00 C ATOM 1573 C VAL A 102 4.350 -4.873 11.323 1.00 0.00 C ATOM 1574 O VAL A 102 4.705 -4.187 10.366 1.00 0.00 O ATOM 1575 CB VAL A 102 6.379 -5.973 12.259 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.201 -5.367 13.643 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.185 -7.263 12.333 1.00 0.00 C ATOM 0 H VAL A 102 5.868 -6.658 9.734 1.00 0.00 H new ATOM 0 HA VAL A 102 4.387 -6.805 12.272 1.00 0.00 H new ATOM 0 HB VAL A 102 6.934 -5.264 11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.178 -5.200 14.096 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.673 -4.417 13.559 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.624 -6.049 14.267 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.147 -7.064 12.805 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.638 -8.000 12.921 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.347 -7.649 11.327 1.00 0.00 H new ATOM 1587 N PRO A 103 3.381 -4.463 12.164 1.00 0.00 N ATOM 1588 CA PRO A 103 2.686 -3.185 12.000 1.00 0.00 C ATOM 1589 C PRO A 103 3.667 -2.043 11.763 1.00 0.00 C ATOM 1590 O PRO A 103 4.578 -1.820 12.560 1.00 0.00 O ATOM 1591 CB PRO A 103 1.943 -2.995 13.335 1.00 0.00 C ATOM 1592 CG PRO A 103 2.435 -4.086 14.234 1.00 0.00 C ATOM 1593 CD PRO A 103 2.889 -5.196 13.333 1.00 0.00 C ATOM 0 HA PRO A 103 2.020 -3.185 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.150 -2.014 13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.864 -3.060 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.254 -3.734 14.861 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.644 -4.426 14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.671 -5.800 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.073 -5.872 13.076 1.00 0.00 H new ATOM 1601 N LEU A 104 3.488 -1.335 10.653 1.00 0.00 N ATOM 1602 CA LEU A 104 4.378 -0.235 10.306 1.00 0.00 C ATOM 1603 C LEU A 104 3.641 1.100 10.249 1.00 0.00 C ATOM 1604 O LEU A 104 4.068 2.074 10.868 1.00 0.00 O ATOM 1605 CB LEU A 104 5.052 -0.516 8.963 1.00 0.00 C ATOM 1606 CG LEU A 104 6.390 0.191 8.753 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.533 -0.658 9.287 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.600 0.508 7.279 1.00 0.00 C ATOM 0 H LEU A 104 2.738 -1.502 9.982 1.00 0.00 H new ATOM 0 HA LEU A 104 5.133 -0.161 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.207 -1.591 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.373 -0.221 8.163 1.00 0.00 H new ATOM 0 HG LEU A 104 6.374 1.130 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.478 -0.138 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.389 -0.832 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.552 -1.613 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.558 1.011 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.595 -0.418 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.798 1.158 6.929 1.00 0.00 H new ATOM 1620 N THR A 105 2.541 1.153 9.501 1.00 0.00 N ATOM 1621 CA THR A 105 1.781 2.392 9.381 1.00 0.00 C ATOM 1622 C THR A 105 0.326 2.137 9.008 1.00 0.00 C ATOM 1623 O THR A 105 0.035 1.441 8.037 1.00 0.00 O ATOM 1624 CB THR A 105 2.430 3.309 8.344 1.00 0.00 C ATOM 1625 OG1 THR A 105 3.843 3.270 8.455 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.002 4.755 8.469 1.00 0.00 C ATOM 0 H THR A 105 2.161 0.365 8.977 1.00 0.00 H new ATOM 0 HA THR A 105 1.792 2.876 10.357 1.00 0.00 H new ATOM 0 HB THR A 105 2.097 2.931 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.184 2.466 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.500 5.349 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.922 4.827 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.275 5.131 9.455 1.00 0.00 H new ATOM 1634 N THR A 106 -0.579 2.727 9.785 1.00 0.00 N ATOM 1635 CA THR A 106 -2.012 2.589 9.546 1.00 0.00 C ATOM 1636 C THR A 106 -2.636 3.947 9.242 1.00 0.00 C ATOM 1637 O THR A 106 -2.827 4.767 10.138 1.00 0.00 O ATOM 1638 CB THR A 106 -2.702 1.965 10.761 1.00 0.00 C ATOM 1639 OG1 THR A 106 -2.160 0.687 11.046 1.00 0.00 O ATOM 1640 CG2 THR A 106 -4.197 1.804 10.579 1.00 0.00 C ATOM 0 H THR A 106 -0.343 3.308 10.589 1.00 0.00 H new ATOM 0 HA THR A 106 -2.150 1.934 8.686 1.00 0.00 H new ATOM 0 HB THR A 106 -2.525 2.658 11.584 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.614 0.306 11.827 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.627 1.356 11.475 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.650 2.781 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.392 1.159 9.722 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.949 4.178 7.971 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.551 5.440 7.552 1.00 0.00 C ATOM 1650 C LYS A 107 -4.897 5.207 6.875 1.00 0.00 C ATOM 1651 O LYS A 107 -4.997 4.436 5.921 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.612 6.187 6.603 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.656 7.698 6.767 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.422 8.360 6.176 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.189 8.100 7.027 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.787 9.222 6.948 1.00 0.00 N ATOM 0 H LYS A 107 -2.797 3.510 7.215 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.715 6.046 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.592 5.842 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.871 5.934 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.549 8.092 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.732 7.948 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.255 7.984 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.588 9.434 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.489 7.952 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.291 7.178 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.748 8.859 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.738 9.659 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.558 9.933 7.672 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.930 5.879 7.373 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.268 5.746 6.813 1.00 0.00 C ATOM 1672 C VAL A 108 -7.414 6.581 5.545 1.00 0.00 C ATOM 1673 O VAL A 108 -6.956 7.722 5.485 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.350 6.169 7.828 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.745 5.960 7.253 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -8.183 5.403 9.132 1.00 0.00 C ATOM 0 H VAL A 108 -5.865 6.521 8.163 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.408 4.693 6.570 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.228 7.232 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.491 6.265 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.859 6.558 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.885 4.906 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.954 5.713 9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.275 4.334 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.200 5.613 9.554 1.00 0.00 H new ATOM 1686 N VAL A 109 -8.052 6.004 4.532 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.256 6.694 3.265 1.00 0.00 C ATOM 1688 C VAL A 109 -9.676 6.488 2.746 1.00 0.00 C ATOM 1689 O VAL A 109 -10.086 5.364 2.460 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.258 6.209 2.197 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -5.853 6.696 2.519 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -7.292 4.692 2.081 1.00 0.00 C ATOM 0 H VAL A 109 -8.437 5.060 4.565 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.092 7.755 3.453 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.552 6.629 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.161 6.344 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.842 7.786 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.547 6.308 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.580 4.369 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.026 4.248 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.295 4.371 1.798 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.420 7.583 2.628 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.787 7.503 2.144 1.00 0.00 C ATOM 1704 C GLY A 110 -12.654 6.599 2.998 1.00 0.00 C ATOM 1705 O GLY A 110 -13.421 5.790 2.476 1.00 0.00 O ATOM 0 H GLY A 110 -10.101 8.524 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.221 8.503 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.785 7.135 1.118 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.533 6.738 4.313 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.318 5.921 5.221 1.00 0.00 C ATOM 1711 C GLY A 111 -12.900 4.463 5.201 1.00 0.00 C ATOM 1712 O GLY A 111 -13.704 3.577 5.490 1.00 0.00 O ATOM 0 H GLY A 111 -11.906 7.402 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.217 6.310 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.372 5.997 4.954 1.00 0.00 H new ATOM 1716 N SER A 112 -11.639 4.215 4.860 1.00 0.00 N ATOM 1717 CA SER A 112 -11.117 2.855 4.804 1.00 0.00 C ATOM 1718 C SER A 112 -9.747 2.771 5.469 1.00 0.00 C ATOM 1719 O SER A 112 -8.923 3.674 5.329 1.00 0.00 O ATOM 1720 CB SER A 112 -11.020 2.381 3.352 1.00 0.00 C ATOM 1721 OG SER A 112 -11.207 0.980 3.259 1.00 0.00 O ATOM 0 H SER A 112 -10.961 4.938 4.619 1.00 0.00 H new ATOM 0 HA SER A 112 -11.806 2.207 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.770 2.892 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.046 2.649 2.943 1.00 0.00 H new ATOM 0 HG SER A 112 -11.142 0.703 2.321 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.514 1.683 6.196 1.00 0.00 N ATOM 1728 CA ARG A 113 -8.245 1.482 6.886 1.00 0.00 C ATOM 1729 C ARG A 113 -7.183 0.939 5.934 1.00 0.00 C ATOM 1730 O ARG A 113 -7.467 0.088 5.091 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.427 0.521 8.061 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.978 1.183 9.313 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.671 0.362 10.556 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.811 -0.456 10.968 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.528 -0.242 12.072 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -10.241 0.770 12.882 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.542 -1.046 12.365 1.00 0.00 N ATOM 0 H ARG A 113 -10.187 0.927 6.323 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.910 2.449 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.099 -0.283 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.466 0.063 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.549 2.180 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.056 1.309 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.814 -0.283 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.390 1.029 11.371 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.075 -1.241 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.465 1.394 12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.797 0.923 13.723 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.771 -1.824 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.093 -0.886 13.208 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.960 1.436 6.080 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.851 1.002 5.238 1.00 0.00 C ATOM 1753 C CYS A 114 -3.568 0.874 6.056 1.00 0.00 C ATOM 1754 O CYS A 114 -2.844 1.852 6.245 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.641 1.995 4.092 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.539 1.398 2.789 1.00 0.00 S ATOM 0 H CYS A 114 -5.711 2.141 6.774 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.097 0.024 4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.609 2.235 3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.236 2.922 4.498 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.230 1.153 1.715 1.00 0.00 H new ATOM 1762 N THR A 115 -3.292 -0.333 6.544 1.00 0.00 N ATOM 1763 CA THR A 115 -2.095 -0.573 7.343 1.00 0.00 C ATOM 1764 C THR A 115 -0.987 -1.200 6.507 1.00 0.00 C ATOM 1765 O THR A 115 -1.242 -2.027 5.631 1.00 0.00 O ATOM 1766 CB THR A 115 -2.403 -1.487 8.531 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.396 -0.916 9.363 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.190 -1.780 9.391 1.00 0.00 C ATOM 0 H THR A 115 -3.878 -1.156 6.401 1.00 0.00 H new ATOM 0 HA THR A 115 -1.757 0.396 7.710 1.00 0.00 H new ATOM 0 HB THR A 115 -2.751 -2.422 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.976 -0.550 10.169 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.477 -2.433 10.215 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.427 -2.271 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.792 -0.847 9.789 1.00 0.00 H new ATOM 1776 N ILE A 116 0.247 -0.825 6.813 1.00 0.00 N ATOM 1777 CA ILE A 116 1.407 -1.370 6.127 1.00 0.00 C ATOM 1778 C ILE A 116 2.344 -2.010 7.147 1.00 0.00 C ATOM 1779 O ILE A 116 2.551 -1.464 8.230 1.00 0.00 O ATOM 1780 CB ILE A 116 2.151 -0.289 5.304 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.785 -0.917 4.062 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.208 0.419 6.144 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.631 0.048 3.258 1.00 0.00 C ATOM 0 H ILE A 116 0.470 -0.141 7.536 1.00 0.00 H new ATOM 0 HA ILE A 116 1.064 -2.127 5.422 1.00 0.00 H new ATOM 0 HB ILE A 116 1.422 0.459 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.403 -1.761 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.996 -1.314 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.711 1.171 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.731 0.901 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.938 -0.309 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.048 -0.467 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.013 0.880 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.442 0.427 3.880 1.00 0.00 H new ATOM 1795 N CYS A 117 2.880 -3.181 6.824 1.00 0.00 N ATOM 1796 CA CYS A 117 3.755 -3.881 7.754 1.00 0.00 C ATOM 1797 C CYS A 117 5.077 -4.288 7.115 1.00 0.00 C ATOM 1798 O CYS A 117 5.122 -4.703 5.957 1.00 0.00 O ATOM 1799 CB CYS A 117 3.047 -5.125 8.292 1.00 0.00 C ATOM 1800 SG CYS A 117 1.478 -4.783 9.121 1.00 0.00 S ATOM 0 H CYS A 117 2.726 -3.660 5.937 1.00 0.00 H new ATOM 0 HA CYS A 117 3.981 -3.191 8.567 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.866 -5.813 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.711 -5.634 8.991 1.00 0.00 H new ATOM 0 HG CYS A 117 1.425 -5.444 10.239 1.00 0.00 H new ATOM 1806 N ASP A 118 6.147 -4.189 7.897 1.00 0.00 N ATOM 1807 CA ASP A 118 7.473 -4.570 7.433 1.00 0.00 C ATOM 1808 C ASP A 118 7.591 -6.088 7.397 1.00 0.00 C ATOM 1809 O ASP A 118 7.072 -6.779 8.272 1.00 0.00 O ATOM 1810 CB ASP A 118 8.549 -3.980 8.347 1.00 0.00 C ATOM 1811 CG ASP A 118 9.759 -3.492 7.575 1.00 0.00 C ATOM 1812 OD1 ASP A 118 9.764 -2.313 7.162 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.701 -4.288 7.383 1.00 0.00 O ATOM 0 H ASP A 118 6.120 -3.847 8.858 1.00 0.00 H new ATOM 0 HA ASP A 118 7.620 -4.176 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.125 -3.152 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.862 -4.734 9.069 1.00 0.00 H new ATOM 1818 N VAL A 119 8.268 -6.605 6.381 1.00 0.00 N ATOM 1819 CA VAL A 119 8.440 -8.041 6.241 1.00 0.00 C ATOM 1820 C VAL A 119 9.746 -8.483 6.883 1.00 0.00 C ATOM 1821 O VAL A 119 10.829 -8.156 6.398 1.00 0.00 O ATOM 1822 CB VAL A 119 8.417 -8.466 4.760 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.209 -9.965 4.639 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.332 -7.710 3.998 1.00 0.00 C ATOM 0 H VAL A 119 8.705 -6.052 5.644 1.00 0.00 H new ATOM 0 HA VAL A 119 7.607 -8.526 6.750 1.00 0.00 H new ATOM 0 HB VAL A 119 9.381 -8.216 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.196 -10.247 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.022 -10.487 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.260 -10.239 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.333 -8.025 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.359 -7.925 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.527 -6.639 4.054 1.00 0.00 H new ATOM 1834 N VAL A 120 9.642 -9.211 7.991 1.00 0.00 N ATOM 1835 CA VAL A 120 10.826 -9.672 8.706 1.00 0.00 C ATOM 1836 C VAL A 120 10.730 -11.155 9.047 1.00 0.00 C ATOM 1837 O VAL A 120 9.639 -11.692 9.225 1.00 0.00 O ATOM 1838 CB VAL A 120 11.043 -8.866 10.002 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.845 -7.606 9.716 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.710 -8.518 10.650 1.00 0.00 C ATOM 0 H VAL A 120 8.756 -9.493 8.410 1.00 0.00 H new ATOM 0 HA VAL A 120 11.676 -9.517 8.042 1.00 0.00 H new ATOM 0 HB VAL A 120 11.608 -9.484 10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.989 -7.049 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.816 -7.879 9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.306 -6.986 9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.887 -7.949 11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.115 -7.920 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.173 -9.435 10.892 1.00 0.00 H new ATOM 1850 N LYS A 121 11.884 -11.808 9.136 1.00 0.00 N ATOM 1851 CA LYS A 121 11.936 -13.230 9.453 1.00 0.00 C ATOM 1852 C LYS A 121 11.644 -13.471 10.930 1.00 0.00 C ATOM 1853 O LYS A 121 11.922 -12.622 11.778 1.00 0.00 O ATOM 1854 CB LYS A 121 13.309 -13.802 9.093 1.00 0.00 C ATOM 1855 CG LYS A 121 13.363 -15.321 9.126 1.00 0.00 C ATOM 1856 CD LYS A 121 14.785 -15.831 8.947 1.00 0.00 C ATOM 1857 CE LYS A 121 15.321 -15.517 7.559 1.00 0.00 C ATOM 1858 NZ LYS A 121 16.697 -14.952 7.611 1.00 0.00 N ATOM 0 H LYS A 121 12.796 -11.375 8.993 1.00 0.00 H new ATOM 0 HA LYS A 121 11.171 -13.736 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.587 -13.458 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.052 -13.405 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.963 -15.680 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.728 -15.726 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.432 -15.378 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.809 -16.908 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.324 -16.425 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.656 -14.809 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 17.027 -14.751 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.690 -14.071 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.337 -15.638 8.060 1.00 0.00 H new ATOM 1872 N GLU A 122 11.078 -14.635 11.231 1.00 0.00 N ATOM 1873 CA GLU A 122 10.743 -14.995 12.603 1.00 0.00 C ATOM 1874 C GLU A 122 12.004 -15.254 13.421 1.00 0.00 C ATOM 1875 O GLU A 122 12.645 -16.297 13.280 1.00 0.00 O ATOM 1876 CB GLU A 122 9.844 -16.233 12.619 1.00 0.00 C ATOM 1877 CG GLU A 122 8.368 -15.915 12.440 1.00 0.00 C ATOM 1878 CD GLU A 122 7.640 -15.754 13.761 1.00 0.00 C ATOM 1879 OE1 GLU A 122 8.182 -16.197 14.796 1.00 0.00 O ATOM 1880 OE2 GLU A 122 6.529 -15.186 13.760 1.00 0.00 O ATOM 0 H GLU A 122 10.841 -15.347 10.540 1.00 0.00 H new ATOM 0 HA GLU A 122 10.207 -14.159 13.054 1.00 0.00 H new ATOM 0 HB2 GLU A 122 10.160 -16.911 11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.982 -16.760 13.563 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.266 -14.998 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.896 -16.711 11.864 1.00 0.00 H new